#DEFINITION	Reference Metabolome for Adiantum capillus-veneris
#IDENTTFIER	RefMeta-Adiantum capillus-veneris.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Adiantum capillus-veneris
#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 Adiantum capillus-veneris 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	995.4985
Annotation	Unknow
Peak:m/z	Relative Intensity
69.32977	1.4
69.33400	2.0
69.63583	0.4
71.01382	15.9
72.99314	1.9
73.02943	2.9
76.68810	0.4
83.01386	2.1
85.02947	6.9
87.00869	1.2
89.02443	9.0
95.01382	1.6
96.96004	0.9
99.00864	1.3
101.02442	12.7
113.02456	6.5
119.03506	3.6
125.02487	0.5
131.03455	0.4
159.02950	0.4
161.04549	0.9
167.28320	0.4
254.63347	0.4
300.12451	0.4
372.31989	0.4
455.35596	2.2
617.40497	3.6
618.41156	0.7
635.41614	1.1
738.90350	0.4
797.46539	2.5
959.52167	100.0
960.52454	18.5
995.48993	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	998.5691
Annotation	Unknow
Peak:m/z	Relative Intensity
69.79166	34.9
70.58335	100.0
89.24965	42.8
90.97470	41.1
148.92819	35.4
167.83266	36.5
325.95541	37.9
349.89526	44.8
1031.46289	47.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.4445
Annotation	Unknow
Peak:m/z	Relative Intensity
69.65517	3.5
71.01382	23.0
72.99293	1.2
73.02943	18.9
75.00851	0.9
75.94387	0.7
80.19803	0.6
81.03464	0.9
83.01379	9.5
85.02944	6.4
87.00895	4.3
89.02441	4.7
95.01400	1.9
96.96024	1.1
97.02927	1.8
99.00880	1.6
100.09238	0.6
100.45983	0.6
101.02444	30.6
111.01005	0.6
111.39037	0.7
112.82983	0.7
113.02455	11.8
113.03236	0.5
119.03510	3.7
125.02448	3.5
130.93330	0.7
131.03491	6.5
133.02960	0.9
135.04495	1.4
143.03526	4.8
149.04556	8.0
155.03500	1.2
159.03056	1.0
161.04550	18.7
177.01956	0.8
179.05661	1.1
203.05617	9.7
209.04639	0.9
220.35519	0.7
221.06654	26.2
221.55663	0.6
263.07724	21.4
277.21829	0.8
285.85925	0.7
297.87515	0.7
305.08798	21.5
306.09232	1.0
323.09912	1.6
425.30609	1.5
435.69675	0.7
443.31659	100.0
444.31940	7.3
457.33282	0.9
461.33090	1.3
485.32721	5.7
503.33798	60.4
504.34125	6.6
506.75150	0.7
517.35913	1.2
545.34955	8.8
546.34985	1.3
587.35785	1.0
647.38074	2.4
657.56982	0.8
689.39246	6.9
707.39624	4.1
749.41351	4.7
908.22571	0.8
911.47516	0.9
919.36719	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.4498
Annotation	Unknow
Peak:m/z	Relative Intensity
69.40172	6.6
69.89134	0.7
82.02988	2.8
98.20602	1.5
103.99256	0.7
120.04572	2.3
126.40549	0.9
136.07690	1.3
147.03233	1.0
148.04037	11.4
149.04881	5.3
149.05888	0.7
150.05617	14.6
150.09244	3.0
154.05121	1.1
160.03976	1.2
161.04799	4.4
163.02792	1.6
164.03596	3.9
173.03497	4.9
174.04341	15.9
174.05756	1.3
175.05072	3.4
175.06398	2.7
187.06377	1.7
188.07173	1.0
189.06667	6.6
190.05011	1.6
190.07468	15.6
191.08151	1.6
200.07115	2.3
201.07863	2.4
202.07416	2.7
214.11119	1.6
215.08218	1.2
217.07497	1.9
217.09708	1.2
225.91417	0.8
228.06747	1.7
231.07736	11.6
232.08528	25.5
233.09227	4.9
242.08188	2.6
242.10617	1.3
243.07790	2.9
244.08591	6.5
245.06978	1.1
245.09253	3.0
246.07518	1.0
262.09515	1.7
267.07614	0.9
268.08408	1.3
285.08777	2.6
286.09705	6.4
287.10403	1.2
289.09607	1.0
299.14041	8.5
303.09927	1.3
304.10516	1.7
324.13483	4.5
353.14880	1.0
382.17651	11.9
393.18103	1.4
394.17545	3.8
395.15753	1.2
405.37582	0.9
405.43384	0.9
412.18796	1.9
436.18753	6.4
437.17328	3.6
454.19818	57.5
455.20355	4.8
467.17130	4.5
545.24103	2.8
580.07117	1.0
599.25067	6.8
617.26123	100.0
618.26355	12.7
655.64075	1.3
1013.61511	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.4499
Annotation	Unknow
Peak:m/z	Relative Intensity
69.76129	5.0
71.01349	1.6
78.72227	0.9
82.02964	3.4
82.06405	0.8
93.35224	0.9
96.96008	2.5
104.53694	1.0
106.18802	0.9
113.02362	0.8
120.04565	1.3
129.05496	0.9
135.04543	1.7
136.07664	1.6
139.02682	1.2
147.03271	1.3
148.04037	14.9
149.04845	5.8
150.04495	0.9
150.05621	13.8
150.09195	3.9
154.05042	2.6
160.04034	2.0
161.04846	4.5
162.05573	2.1
163.02740	1.3
164.03566	5.1
173.03548	6.7
174.04335	15.2
174.05653	1.6
175.05022	4.0
175.06366	3.1
177.06520	1.0
186.05562	1.4
187.06331	2.5
188.07135	1.3
189.06664	7.4
190.07469	23.1
191.08249	1.5
195.75208	0.9
200.07144	2.3
201.07925	1.9
202.07259	2.1
202.08908	1.8
213.06628	1.0
213.10234	1.2
214.11089	2.5
217.07513	1.6
227.09515	1.2
228.06610	1.5
231.07709	10.2
232.08511	25.8
233.09137	4.1
241.09721	1.8
242.08209	2.6
242.10487	1.9
243.07634	1.8
244.08582	8.3
245.09177	2.8
259.10690	1.1
262.09473	2.3
268.08310	1.5
285.08716	2.7
286.07092	0.8
286.09653	6.5
299.13992	8.0
303.09802	1.7
304.10620	2.1
324.13412	4.0
340.16614	1.3
353.15027	1.5
382.17706	11.9
394.17599	3.5
412.18616	1.1
436.18747	6.6
437.17435	3.1
454.19800	55.5
455.19839	3.8
467.16666	3.7
484.95032	1.1
545.23846	2.9
558.23779	1.0
599.24835	5.8
617.26111	100.0
618.26447	12.0
785.38611	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	993.4678
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03444	1.5
69.17730	1.8
69.18144	3.4
71.01382	54.4
71.05029	1.4
72.99300	2.8
73.02946	9.8
75.00866	5.4
79.52978	0.6
83.01382	11.8
84.02174	1.9
85.02953	24.4
85.06600	0.7
86.00090	2.3
87.00885	4.0
87.04514	11.2
87.05004	1.0
89.02438	7.7
95.01382	7.9
97.02939	1.9
99.00892	11.3
99.04497	0.8
100.01668	0.7
101.01793	1.3
101.02445	21.8
101.06082	12.1
111.00804	2.4
112.01671	11.7
113.02452	45.2
113.99328	0.9
114.02737	0.6
119.03496	2.8
123.00661	2.3
124.01590	0.6
125.02345	2.7
127.00323	1.6
131.03528	0.9
139.00226	0.5
140.00908	0.6
141.01704	66.5
143.03505	4.6
149.13367	5.5
151.00163	3.3
152.03323	1.0
153.01691	20.2
155.03268	1.6
155.30960	0.7
161.04549	11.6
165.01666	1.2
166.99612	8.7
178.04854	2.9
179.05574	0.8
183.02747	21.1
195.02736	4.0
201.03851	3.3
201.16463	1.5
203.18031	0.6
219.14413	0.7
221.15210	0.8
225.03751	1.7
227.01778	3.6
243.04945	0.6
258.99429	1.0
279.19763	0.7
301.00446	0.6
319.18896	7.9
333.20554	1.2
381.22845	19.7
382.23114	1.3
399.23740	1.7
421.22073	48.6
422.22446	2.8
463.23135	100.0
464.23441	7.3
465.20993	18.4
466.21512	1.0
481.24133	8.3
507.22153	13.9
508.22427	0.9
523.24945	1.3
551.21198	1.0
821.46466	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.4666
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03448	0.7
70.71059	0.2
70.97995	0.4
71.01380	15.1
72.79165	0.2
72.99309	0.7
73.02945	19.4
75.00869	0.6
76.99620	0.2
81.03475	0.3
81.36839	0.2
83.01388	6.4
85.02947	4.3
85.03458	0.2
86.00098	0.4
87.00880	2.3
89.02441	2.7
95.01387	0.8
97.02956	1.1
99.00880	1.2
101.02440	30.1
102.02831	0.2
113.02445	8.7
119.03511	2.6
125.02451	2.5
127.04081	0.2
131.03491	5.0
143.03496	3.0
147.02960	0.2
149.04544	5.2
155.03487	1.2
159.03027	0.3
161.04544	14.3
162.04886	0.3
179.05606	0.9
189.20430	0.2
203.05608	7.1
221.06648	18.4
222.06975	0.4
263.07700	14.1
264.08057	0.3
286.17557	0.2
305.08762	19.8
306.09052	0.6
323.09760	1.0
347.10117	0.3
359.56967	0.2
365.10657	0.3
407.11932	0.2
409.31052	1.2
425.13089	0.6
427.32336	0.7
457.84329	0.2
471.31039	5.0
472.31583	0.4
489.35910	100.0
490.36215	9.0
503.37405	1.6
504.38101	0.2
531.37012	6.6
532.37231	0.6
561.37970	0.2
573.37964	0.3
580.30017	0.2
633.40204	0.6
693.41711	0.8
735.39844	1.7
736.40686	0.3
779.98438	0.2
795.45862	0.5
855.46252	0.5
897.45599	2.7
898.46466	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.4652
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	1.2
69.23499	3.2
70.36041	0.4
70.67533	0.3
71.01381	19.4
72.99317	1.0
73.02555	0.7
73.02943	10.8
75.00868	0.5
81.03448	0.4
83.01390	5.6
85.02948	11.0
86.00092	0.3
87.00871	2.2
89.02446	4.1
95.01376	2.3
97.02950	2.6
99.00879	3.1
101.02444	14.4
111.00906	0.8
113.02448	12.0
118.16442	0.3
119.03484	1.5
125.02447	2.7
128.83183	0.3
131.03488	1.1
133.02924	0.4
135.04500	0.4
137.02409	0.4
141.01917	0.5
143.03506	2.7
149.04507	0.6
157.58337	0.4
159.02989	0.8
161.04539	4.2
179.05646	2.2
187.07620	0.8
203.05637	1.0
218.70137	0.4
221.06654	3.0
229.08661	0.4
245.06586	0.8
263.07715	1.8
305.08682	1.2
429.33679	0.6
489.35886	13.4
490.36261	1.2
531.37396	0.8
633.39917	0.5
675.41333	0.9
693.41339	2.0
777.44562	0.4
795.45093	0.5
813.46588	0.5
823.46228	0.6
837.46118	2.2
855.47229	5.3
856.48480	0.5
897.48468	100.0
898.48767	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.4649
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03439	0.6
69.65691	2.8
69.70159	0.4
71.01379	16.9
72.99290	1.2
73.02561	0.5
73.02946	8.2
75.00871	1.0
83.01395	4.2
85.02949	9.7
87.00863	1.8
89.02435	1.5
94.35989	0.4
95.01363	1.9
96.96008	0.9
97.02946	1.9
99.00913	2.6
101.02443	12.2
111.00868	1.2
113.02458	7.6
119.03487	0.6
125.02460	2.2
127.03941	0.5
131.03549	0.7
143.03523	1.1
154.12419	0.4
156.72925	0.4
159.02956	0.9
161.04518	1.2
163.07626	1.7
179.14554	0.4
181.75409	0.5
210.90294	0.4
263.93710	0.5
322.26105	0.5
429.33826	0.5
431.77332	0.4
449.64212	0.5
488.34723	0.6
489.21100	0.5
489.31967	0.8
685.28571	0.6
693.38574	3.2
727.47760	0.5
733.59967	0.5
767.74475	0.6
769.97925	0.5
837.46167	0.8
855.47070	3.2
897.48505	100.0
898.48883	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.449
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03452	0.8
69.28386	5.5
71.01383	19.4
72.99303	1.2
73.02559	1.0
73.02949	15.8
74.01044	0.5
81.03445	0.7
81.13874	0.7
83.01394	5.7
84.02157	6.6
85.02953	4.2
85.69532	0.6
86.00115	0.7
87.00879	1.9
89.02446	2.7
95.01373	0.9
96.95995	0.6
97.02920	0.9
98.20693	1.4
99.00862	1.2
101.02442	29.2
105.03452	0.9
113.02451	8.6
114.55563	0.5
119.03518	2.9
125.02444	2.6
131.03494	5.3
135.04529	1.6
143.03523	3.7
149.02582	0.6
149.04570	5.2
155.03516	1.2
160.71835	0.6
161.04568	11.3
177.01857	0.6
179.05635	0.9
187.53481	0.6
203.05617	7.5
209.04512	1.5
221.06674	19.6
263.07700	13.0
305.08762	17.7
306.09036	1.2
323.09863	1.5
463.51456	0.6
469.32852	1.3
487.34280	100.0
488.34634	8.8
501.36038	1.5
529.35297	10.6
530.35577	1.0
691.40680	1.2
733.41803	2.2
853.46075	1.1
895.47009	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	983.4489
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03442	2.0
70.72861	3.9
71.01385	54.7
72.99302	3.7
73.02946	19.2
83.01397	14.7
83.32616	1.5
85.02950	33.8
87.00854	4.8
89.02446	8.6
95.01384	9.4
96.96038	2.6
97.02945	6.9
99.00880	8.7
101.02444	36.4
105.03460	2.2
109.74816	1.8
111.00920	2.1
112.01680	3.1
113.02456	25.7
119.03472	2.3
121.02984	2.4
125.02473	9.8
127.04035	2.0
135.04544	3.4
137.02505	1.7
139.11261	2.0
143.03503	6.5
159.02977	1.7
161.04547	9.1
168.06239	1.6
177.01863	2.9
181.58888	1.8
203.05522	2.7
209.04550	4.8
217.32123	1.7
389.28455	2.3
407.33185	10.3
439.32153	7.5
484.42828	1.9
487.34235	14.8
557.78204	1.9
583.36304	2.2
601.37366	2.5
631.38074	7.8
649.38965	3.2
673.39569	2.1
691.40601	16.7
713.42609	5.1
755.43451	2.4
773.45679	4.0
793.43945	7.1
811.45270	5.5
815.44635	2.5
835.45087	33.0
836.45099	4.0
853.45941	92.2
854.46082	8.5
895.46973	100.0
896.47443	17.3
937.27338	1.8
1006.69879	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.4496
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	16.7
71.01751	0.7
71.52147	1.8
72.99312	1.2
73.02940	14.7
83.01379	5.7
84.02153	2.5
85.02940	5.9
87.00868	2.6
89.02459	2.8
96.96022	2.7
97.02937	1.9
99.00877	2.1
101.02447	24.4
105.03520	1.6
107.05042	1.2
109.02957	1.0
113.02446	11.1
119.03528	2.5
125.02439	3.3
125.70203	1.0
126.15367	1.0
131.03487	4.0
133.02965	2.1
135.04544	1.6
143.03500	3.7
149.04530	4.2
161.04526	10.4
177.01904	1.2
203.05644	5.7
209.04672	1.2
221.06619	13.6
263.07770	8.9
305.08780	17.6
378.12540	1.0
425.34106	3.5
451.95041	1.3
469.33206	21.4
469.39722	1.3
470.33450	2.7
487.34286	100.0
488.34430	7.8
501.35803	1.7
513.59442	1.1
529.35474	10.8
559.36670	1.1
691.40039	1.5
733.41644	11.6
839.47955	2.4
853.46082	3.7
895.46826	5.2
983.52075	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	983.4497
Annotation	Unknow
Peak:m/z	Relative Intensity
68.10671	0.3
69.03451	0.9
71.01379	18.0
71.08760	0.3
71.09098	0.4
71.95914	0.3
72.99301	0.8
73.02943	16.3
74.03285	0.3
75.00865	0.6
81.03464	0.4
83.00912	0.5
83.01385	6.3
85.02946	4.5
86.00099	0.6
87.00874	2.5
89.02440	3.1
95.01383	1.2
97.02947	1.9
99.00874	1.1
101.02441	27.6
102.02737	0.3
105.03439	0.4
113.02446	8.6
115.00386	0.5
119.03503	2.5
125.02447	2.7
127.03996	0.4
127.27229	0.3
131.03513	5.1
133.01395	0.5
134.38126	0.3
135.02911	0.3
135.04538	0.8
143.03491	3.7
149.04562	4.3
155.03476	1.3
159.03052	0.5
161.04549	12.6
162.04900	0.6
179.05608	1.0
187.07584	0.4
203.05597	7.1
221.06651	18.4
222.06908	0.6
231.10240	0.3
263.07706	13.8
264.08063	0.5
283.13367	0.6
304.09558	0.3
305.08774	21.2
306.09116	0.9
323.09860	1.3
425.12997	0.6
451.32300	0.4
469.32953	0.9
483.35126	0.3
485.32715	2.1
486.33163	2.8
487.34241	100.0
488.34622	8.7
501.35919	1.9
511.34271	8.1
512.34698	0.9
527.34082	0.3
529.35242	4.0
530.35455	0.6
541.35919	0.3
571.36359	0.3
617.26776	0.4
618.25629	0.7
619.27228	0.7
621.34027	0.3
691.40521	1.1
715.40546	1.3
729.77130	0.3
732.41479	0.4
733.41370	2.2
793.43774	0.5
835.45245	0.4
853.45361	0.6
895.46863	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.4491
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03451	0.9
69.72047	0.3
71.01379	16.2
71.05022	0.2
72.99311	0.5
73.02944	18.4
75.00885	0.7
81.03458	0.5
83.01385	5.1
85.02946	4.5
86.00096	0.4
87.00889	2.7
89.02435	3.2
95.01366	0.6
96.95998	0.9
97.02953	1.5
98.95589	0.3
99.00875	1.3
99.92570	0.5
101.02441	23.6
111.00842	0.3
113.02443	8.9
115.92109	0.4
116.92857	1.0
117.01913	0.2
119.03488	3.0
125.02447	2.9
127.04009	0.3
129.01923	0.4
131.03500	4.7
143.03494	3.7
149.04550	5.7
155.03496	1.4
159.02913	0.3
161.04546	13.9
162.04890	0.2
179.05559	0.7
185.04543	0.5
195.03671	0.3
203.05597	7.8
214.25795	0.3
221.06650	20.7
222.06985	0.4
263.07687	15.7
264.08127	0.4
305.08765	21.5
306.08990	0.8
307.43039	0.2
323.09875	1.7
347.09860	0.3
379.08661	0.3
407.12085	0.3
409.31299	0.4
425.13351	0.4
425.34067	1.3
439.36273	0.3
443.35132	1.2
445.23260	0.3
469.33160	7.9
470.33524	0.8
486.00415	0.3
487.34262	100.0
488.28720	0.2
488.34616	8.1
501.35724	1.8
529.35309	20.1
530.35516	2.2
545.35992	0.3
559.36450	0.7
571.36749	0.6
589.37311	0.3
601.37354	0.4
631.38373	2.3
632.39520	0.3
673.39301	2.0
691.40814	1.3
733.41650	20.6
734.41980	3.4
835.44348	0.4
853.46185	0.6
895.46606	0.7
900.13190	0.3
983.38855	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.4324
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03451	1.2
71.01382	13.3
72.99310	0.7
73.02949	12.4
83.01386	5.1
85.02952	4.7
87.00870	1.4
89.02456	2.4
94.27817	0.5
96.96001	1.6
97.02962	1.6
99.00905	1.3
101.02443	18.9
107.83072	0.5
109.38879	0.5
113.02444	7.6
119.03500	3.4
125.02425	2.2
131.03493	4.2
135.04524	1.7
143.03525	2.9
143.97089	0.5
149.04581	4.8
155.03484	1.3
158.03738	1.6
159.03156	0.6
159.04506	1.7
159.08136	1.6
160.05202	0.9
161.04564	11.8
161.05956	0.8
161.27885	0.5
173.06050	1.4
174.03268	0.7
174.06801	0.9
175.07643	1.3
177.01865	0.6
181.44023	0.6
185.04495	0.7
185.06053	0.9
187.03957	1.3
187.07646	9.3
188.08133	0.6
189.09245	4.3
199.07671	1.5
202.02600	0.7
202.06300	3.8
203.03636	0.8
203.05586	5.6
203.07213	2.6
203.10757	1.4
206.67650	0.5
212.08545	0.6
213.09142	0.6
214.10002	1.1
217.08810	1.0
221.06651	18.4
222.06996	0.6
231.06535	2.3
231.10260	18.8
232.10954	0.7
263.07706	14.5
264.08160	0.7
275.09174	2.6
276.10049	2.3
305.08777	21.9
311.16650	0.5
315.25323	4.0
323.09952	1.1
329.13950	2.9
347.09521	0.5
364.86179	0.5
373.16547	8.0
405.31998	0.8
407.11792	0.6
417.15469	1.3
423.32727	5.2
424.33228	0.7
437.34186	0.7
441.33838	1.6
467.31647	12.1
468.32013	1.4
485.32709	100.0
486.33054	8.9
487.02298	0.6
499.34332	1.5
527.33740	18.8
528.34027	1.6
557.33087	0.6
629.37366	1.0
671.37970	2.5
672.36847	0.7
689.38824	1.7
710.66821	0.6
731.40094	23.3
732.40448	3.7
833.42749	1.2
849.46472	1.5
851.44623	0.7
893.48279	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.4324
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03451	1.2
71.01382	13.3
72.99310	0.7
73.02949	12.4
83.01386	5.1
85.02952	4.7
87.00870	1.4
89.02456	2.4
94.27817	0.5
96.96001	1.6
97.02962	1.6
99.00905	1.3
101.02443	18.9
107.83072	0.5
109.38879	0.5
113.02444	7.6
119.03500	3.4
125.02425	2.2
131.03493	4.2
135.04524	1.7
143.03525	2.9
143.97089	0.5
149.04581	4.8
155.03484	1.3
158.03738	1.6
159.03156	0.6
159.04506	1.7
159.08136	1.6
160.05202	0.9
161.04564	11.8
161.05956	0.8
161.27885	0.5
173.06050	1.4
174.03268	0.7
174.06801	0.9
175.07643	1.3
177.01865	0.6
181.44023	0.6
185.04495	0.7
185.06053	0.9
187.03957	1.3
187.07646	9.3
188.08133	0.6
189.09245	4.3
199.07671	1.5
202.02600	0.7
202.06300	3.8
203.03636	0.8
203.05586	5.6
203.07213	2.6
203.10757	1.4
206.67650	0.5
212.08545	0.6
213.09142	0.6
214.10002	1.1
217.08810	1.0
221.06651	18.4
222.06996	0.6
231.06535	2.3
231.10260	18.8
232.10954	0.7
263.07706	14.5
264.08160	0.7
275.09174	2.6
276.10049	2.3
305.08777	21.9
311.16650	0.5
315.25323	4.0
323.09952	1.1
329.13950	2.9
347.09521	0.5
364.86179	0.5
373.16547	8.0
405.31998	0.8
407.11792	0.6
417.15469	1.3
423.32727	5.2
424.33228	0.7
437.34186	0.7
441.33838	1.6
467.31647	12.1
468.32013	1.4
485.32709	100.0
486.33054	8.9
487.02298	0.6
499.34332	1.5
527.33740	18.8
528.34027	1.6
557.33087	0.6
629.37366	1.0
671.37970	2.5
672.36847	0.7
689.38824	1.7
710.66821	0.6
731.40094	23.3
732.40448	3.7
833.42749	1.2
849.46472	1.5
851.44623	0.7
893.48279	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	976.5844
Annotation	Unknow
Peak:m/z	Relative Intensity
68.14828	42.1
70.83634	100.0
70.83987	67.5
117.02643	37.9
129.41850	38.7
143.98926	36.4
149.49297	38.0
196.33319	39.1
203.40475	39.9
255.23303	40.2
308.64243	42.5
491.45688	45.2
984.41937	39.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.4596
Annotation	Unknow
Peak:m/z	Relative Intensity
70.30831	2.2
70.98347	5.0
71.01382	91.0
72.69671	2.4
73.02946	33.3
74.03271	2.6
83.01395	13.7
85.02956	29.0
87.00888	10.5
87.04508	5.4
89.02442	100.0
95.01379	7.4
99.00897	3.5
101.02441	66.9
101.06081	10.0
113.02451	62.6
116.74045	2.7
119.03502	42.8
125.02479	3.4
131.03497	8.3
143.03523	16.8
147.11801	4.2
149.04556	9.6
151.76762	2.5
159.93866	2.2
161.04567	33.0
177.24651	2.2
179.05605	90.9
221.06755	2.8
227.69141	2.3
271.19196	2.8
301.05063	2.3
355.21329	11.5
397.22141	12.1
415.23358	92.2
416.23706	7.0
433.24380	41.3
434.24808	3.0
475.25439	52.7
476.25787	5.8
552.79724	2.8
691.39777	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	975.4436
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01381	77.0
72.99310	4.2
73.02942	15.6
83.01398	6.7
85.02943	30.8
87.00874	4.9
89.02441	45.2
95.01398	7.8
99.00903	3.6
101.02435	44.9
101.99726	2.2
113.02451	41.0
119.03493	20.2
122.86398	2.3
125.02457	3.4
131.03491	2.5
133.02898	2.6
135.04494	3.4
161.04582	15.3
179.05505	2.4
193.04993	4.7
197.90944	2.5
221.15417	4.2
239.16460	4.5
365.19577	10.3
383.20697	91.4
384.20932	5.1
401.21796	51.3
443.16757	5.5
443.22861	100.0
444.23154	5.1
453.24869	2.9
521.18536	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	973.4435
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01008	2.2
71.01382	34.7
71.51433	1.9
71.59515	1.2
72.99309	7.7
85.02950	1.4
86.34893	1.1
87.00866	1.9
88.98801	1.3
89.02460	7.0
92.70613	1.1
96.96006	2.2
101.02425	2.4
107.05033	1.4
113.02421	2.5
115.00373	84.1
116.00670	2.0
116.92867	2.1
121.52782	1.1
130.04221	1.8
133.01430	97.2
133.03009	3.6
134.03824	1.3
135.04517	2.3
141.88727	1.1
158.03690	4.3
159.04501	4.4
160.05261	4.3
161.06061	1.4
172.05324	13.0
173.06020	6.0
174.03233	1.4
174.06833	1.6
177.01866	2.6
183.04349	1.2
185.06033	3.0
186.06815	3.1
187.04016	6.3
198.06824	1.5
199.04018	3.7
200.04759	2.3
201.05525	4.9
202.06375	7.5
204.04193	2.9
211.13477	1.4
227.03479	5.3
228.04257	1.9
249.18507	6.6
255.13718	2.4
255.23218	5.0
257.15466	1.8
277.21628	4.7
281.15308	3.0
283.13394	100.0
284.13724	5.1
285.14899	2.2
299.16428	4.6
301.14471	22.3
302.26193	1.3
309.14954	32.1
310.15143	2.5
311.12912	5.0
327.12140	2.5
327.15991	39.5
328.16376	1.4
329.13873	1.9
345.16953	7.0
353.13889	3.8
368.49152	1.2
382.11304	1.2
397.13528	4.0
537.23352	2.1
563.25049	8.0
581.25916	15.6
582.25964	2.5
607.24115	1.8
625.24756	3.0
723.36005	1.5
769.41339	3.8
795.43048	13.3
796.43622	3.2
797.41241	3.2
813.44379	64.6
814.44592	9.9
839.42676	13.7
840.42181	2.3
857.43268	88.7
858.43933	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	973.4432
Annotation	Unknow
Peak:m/z	Relative Intensity
69.28860	0.6
69.29263	2.4
71.01382	8.8
77.03967	2.7
78.95942	0.4
85.02952	0.3
87.00916	0.3
88.98800	2.2
89.02452	0.9
89.03977	1.2
89.86438	0.4
93.03466	1.5
95.05025	6.8
95.05615	0.4
101.02437	0.7
105.03457	18.3
106.04252	0.8
107.04994	0.5
109.02951	1.5
111.00912	0.4
115.00374	10.3
121.02969	2.4
123.04501	2.0
132.02190	1.1
133.02956	100.0
134.03761	16.3
135.04547	5.6
137.02438	10.2
139.03976	3.6
149.02399	0.7
150.03223	0.9
151.03976	0.9
159.04559	0.9
161.06093	0.7
165.01932	0.6
169.29349	0.3
177.01924	76.6
178.02702	24.1
178.04974	0.5
179.03491	9.5
183.10255	5.0
187.03984	1.2
202.06319	0.9
211.13330	0.7
235.08385	0.4
255.23326	2.2
277.21707	7.9
281.11789	1.0
299.12817	4.1
309.14883	0.9
311.16864	0.5
327.15918	2.0
379.12561	0.7
397.13464	1.1
401.17929	0.4
508.08127	0.4
541.03833	0.4
553.22705	0.6
581.25641	0.7
679.40668	2.6
680.41144	0.4
795.43042	2.4
806.30927	0.4
813.44214	14.7
814.44690	1.5
857.43243	17.2
858.43396	2.9
900.78583	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	972.5532
Annotation	Unknow
Peak:m/z	Relative Intensity
72.91706	56.7
98.20683	100.0
135.98283	64.3
175.07553	58.5
233.63872	60.4
258.61560	53.3
432.57358	63.9
924.84265	72.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.4857
Annotation	Unknow
Peak:m/z	Relative Intensity
69.27374	9.0
71.01379	32.9
72.99313	1.7
73.02959	9.1
83.01378	4.4
84.12622	1.0
85.02951	14.6
87.00868	1.4
88.98818	1.8
89.02444	20.8
95.01375	3.2
96.96022	1.2
98.19868	1.8
99.00862	2.8
101.01791	2.1
101.02444	29.7
113.02457	17.0
119.03500	8.5
122.34133	1.1
125.02483	1.3
131.03516	1.8
133.02930	1.7
135.04498	3.7
137.38905	1.0
143.03470	3.4
159.02963	1.9
161.04533	7.5
177.01894	1.3
179.05615	2.3
221.06720	1.9
231.50859	1.2
237.18590	12.1
263.07712	3.6
305.08823	2.5
372.65955	1.0
381.22867	22.9
398.76837	1.1
399.23849	51.3
399.97775	1.1
400.24109	2.4
441.24930	100.0
442.25128	9.3
443.31583	8.9
475.34006	5.8
485.32623	2.7
689.39233	1.6
767.96246	1.2
883.46967	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	971.4857
Annotation	Unknow
Peak:m/z	Relative Intensity
69.21671	15.0
69.22076	4.3
71.01382	93.8
72.99320	6.0
73.02942	18.5
75.00871	2.0
83.01397	12.1
85.02958	27.0
86.00096	2.1
86.57613	1.7
87.00878	6.2
87.04518	5.2
89.02445	66.9
95.01395	8.0
96.96011	2.6
98.20592	4.2
99.00895	16.6
101.02443	75.6
101.06083	10.4
112.60232	1.9
113.02451	44.8
118.02694	2.1
119.03503	41.4
125.02466	2.5
131.03459	4.0
143.03502	9.9
149.04567	3.3
149.13403	2.2
152.03262	6.0
159.03038	1.8
161.04568	27.4
178.04846	10.0
179.05609	45.4
192.10605	1.8
202.36929	1.8
206.40541	2.4
279.19730	3.0
333.20615	6.0
381.22809	61.2
382.23123	2.5
399.23846	100.0
400.24222	6.8
441.24939	58.7
442.25211	5.1
703.06317	2.0
841.48486	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	970.5379
Annotation	Unknow
Peak:m/z	Relative Intensity
71.03108	100.0
81.75329	55.9
93.83850	49.3
102.20753	59.3
142.44521	49.5
150.20558	52.4
162.57379	48.7
256.27142	56.9
342.90787	57.7
864.90405	55.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.4469
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03437	0.8
69.30932	3.7
71.01384	14.3
72.99310	0.8
73.02947	12.9
83.01390	4.6
85.02946	4.5
87.00867	2.8
89.02434	2.2
95.01382	0.9
97.02940	1.6
99.00880	1.5
101.02443	17.8
111.00871	0.4
113.02441	8.0
116.55440	0.4
119.03497	1.8
125.02447	3.2
131.03523	3.3
143.03523	3.1
149.04546	3.8
155.03532	0.6
159.02945	0.7
161.04555	9.5
192.03421	0.5
199.09621	0.4
203.05594	5.5
215.69995	0.4
221.06664	14.6
244.74777	0.4
263.07718	12.0
305.08783	16.5
306.09302	0.7
323.09781	1.1
407.11798	0.7
411.32730	1.9
429.34024	0.5
431.35248	0.8
457.33209	46.4
458.33566	5.1
475.34280	100.0
476.34695	8.8
489.35843	1.7
513.63226	0.5
517.35333	21.0
518.35571	2.1
619.38397	2.4
630.63452	0.4
637.43408	0.7
661.39856	1.5
679.40985	1.3
685.93298	0.5
721.41632	25.6
722.42053	2.8
781.47229	2.1
799.48505	0.8
822.33453	0.5
823.47345	1.7
829.83142	0.5
838.23779	0.5
841.49042	7.0
842.48767	0.7
883.47833	7.4
884.48962	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.4697
Annotation	Unknow
Peak:m/z	Relative Intensity
67.24670	1.2
71.01382	23.5
73.02954	4.9
78.95927	1.5
81.15176	1.0
83.01390	3.2
85.02955	8.8
87.00875	4.6
87.83019	1.2
89.02456	2.9
95.01384	1.3
96.96001	2.5
97.02943	2.1
99.00877	4.6
101.02438	9.1
105.01958	1.1
111.00791	1.2
111.04569	1.0
113.02464	10.5
116.92877	1.5
119.03568	1.2
124.01552	1.2
125.02451	2.4
131.03526	2.5
135.04549	2.3
143.03517	1.3
161.04573	2.8
174.91296	1.2
177.01939	1.3
193.07097	2.0
232.34055	1.5
249.18634	6.3
264.18933	1.2
265.18042	3.1
267.19696	1.5
378.46863	1.3
409.22070	1.6
416.46909	1.3
427.23212	3.9
429.25305	1.2
469.24271	3.6
589.28503	1.6
631.29944	3.4
638.99255	1.3
673.30658	10.9
674.30743	1.8
675.31677	1.6
821.46735	2.9
839.48212	8.5
881.48999	100.0
882.49634	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	969.4698
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01879	0.2
68.99808	0.3
69.03454	0.7
70.22101	0.8
71.01381	12.9
72.99300	0.7
73.02946	5.9
75.00906	0.3
76.02558	0.2
79.01876	0.3
81.03449	0.2
83.01382	3.3
85.02948	7.6
86.00097	0.3
87.00858	1.7
89.02441	2.1
95.01382	1.2
96.96005	0.2
97.02956	1.3
98.19984	0.3
98.48460	0.3
99.00876	1.6
99.04529	0.3
101.02437	8.6
111.00910	0.6
112.01627	0.4
113.02450	5.0
119.03470	0.4
125.02451	1.7
131.03528	0.3
135.04498	1.1
139.70554	0.2
143.03462	0.7
159.03023	0.3
161.04524	1.3
179.03539	0.3
347.95840	0.3
425.33911	0.3
427.35699	1.0
455.34930	0.3
471.34970	0.5
472.34140	0.3
473.36316	2.0
552.40857	0.3
589.40973	0.4
617.40070	1.2
635.41595	2.9
636.41980	0.3
659.41632	0.5
677.42786	3.8
678.43140	0.5
779.47278	1.2
779.59296	0.3
797.47284	1.0
821.46912	2.9
822.47638	0.4
839.48010	5.5
840.48267	1.0
881.48981	100.0
882.49255	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	969.4708
Annotation	Unknow
Peak:m/z	Relative Intensity
70.57133	3.4
70.57468	5.1
71.01376	24.0
73.02944	8.9
81.03490	2.4
83.01363	4.5
85.02982	12.3
87.00866	3.7
89.02438	2.6
95.01379	5.2
96.12885	2.2
96.95979	3.8
97.02914	5.0
99.00869	4.3
101.02430	13.5
107.26432	2.6
113.02452	8.4
115.87300	2.4
125.02428	5.8
132.71651	2.9
135.04466	4.5
147.73262	2.5
184.98746	2.1
207.46016	2.5
215.89201	2.2
234.13017	2.1
265.80521	2.4
278.34674	2.8
314.92694	2.4
359.18216	2.4
401.35474	2.6
483.49170	2.3
635.41431	2.9
677.42847	2.9
779.45697	4.5
821.46985	47.3
822.47211	8.7
829.10120	2.6
839.47827	42.0
840.48474	4.8
881.49030	100.0
881.66406	5.5
882.49243	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	969.4698
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03445	0.5
69.43103	3.8
71.01379	9.3
72.99338	0.8
73.02944	5.8
76.38490	0.5
83.01382	3.7
85.02949	6.0
86.35133	0.6
87.00917	1.1
89.02456	1.8
95.01393	1.7
97.02940	0.9
99.00883	1.9
101.02445	8.1
102.26946	0.4
102.65272	0.5
111.00900	0.7
113.02457	4.9
119.03430	0.6
125.02460	1.5
134.98167	0.5
150.88980	0.5
159.02948	0.5
161.04556	1.0
216.17116	0.5
336.09348	0.5
342.79343	0.6
427.35791	1.4
455.35770	0.7
473.36502	2.4
541.41290	0.6
617.40570	1.7
635.41608	2.7
659.41956	0.7
677.42719	4.2
779.44989	0.9
797.46851	1.2
821.46960	2.2
822.47223	0.7
839.48010	5.7
840.47198	0.9
881.49005	100.0
882.49365	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	969.4701
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99841	0.5
69.03450	1.2
70.64420	0.7
70.64758	0.5
71.01380	24.3
72.99300	0.7
73.02945	24.1
75.00867	0.7
79.32481	0.3
81.03456	0.9
83.01388	10.0
83.85279	0.4
85.02956	7.8
86.00080	0.5
87.00858	2.6
89.02445	4.0
92.70093	0.4
95.01384	2.1
97.02962	1.4
99.00867	2.1
101.02440	35.5
111.00895	0.4
113.02446	10.5
119.03515	2.7
121.63094	0.4
125.02458	3.6
131.03503	5.6
135.04489	0.5
137.02449	0.4
143.03513	3.8
149.04546	5.6
155.03496	1.1
159.02948	0.5
161.04553	13.2
179.05487	0.9
185.04543	0.5
203.05585	7.1
203.07434	0.4
221.06656	17.9
263.07709	14.0
297.87592	0.4
305.08768	17.4
323.09845	1.1
347.09915	0.4
455.35660	0.4
472.35776	0.4
473.36392	100.0
474.36771	8.1
484.43195	0.4
484.76682	0.4
487.37878	3.7
515.37726	2.8
617.40881	0.6
635.41553	1.1
659.42072	0.9
677.42285	1.8
719.42987	1.2
779.45807	2.9
797.47015	1.0
821.46692	2.6
839.48035	11.9
840.47974	2.5
881.48914	16.4
882.49652	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	969.4709
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99790	0.9
69.03442	1.6
71.01381	21.5
71.01775	1.3
73.02950	12.5
75.00880	0.9
78.50232	0.7
81.03448	1.9
82.87569	0.9
83.01391	8.0
85.02952	8.2
87.00854	1.3
89.02443	1.4
89.94945	0.9
95.01404	1.2
95.16895	0.8
96.96004	1.9
97.02939	2.5
99.00880	1.4
99.04539	0.9
101.02444	24.4
107.05039	1.2
111.00796	0.9
113.02454	11.0
115.00361	0.9
119.03510	1.4
125.02438	4.2
131.03482	2.5
133.02956	1.2
135.04549	4.0
143.03491	2.5
144.70000	0.9
153.26590	0.9
155.03474	2.1
161.04567	3.9
177.01949	1.3
177.32172	1.0
187.07693	1.1
198.60307	1.0
203.05598	4.5
221.06674	2.1
231.10286	1.5
263.07617	2.0
353.95813	0.8
473.36566	13.1
474.36673	1.6
617.40527	26.7
617.50702	1.6
618.40723	3.0
635.41675	16.4
636.41943	2.2
659.41040	2.5
677.42670	100.0
678.43073	12.1
691.44037	1.6
719.43701	15.5
761.44476	2.5
779.45349	2.9
821.46240	5.0
839.47552	9.7
881.48389	8.0
907.42920	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.3776
Annotation	Unknow
Peak:m/z	Relative Intensity
70.98744	0.6
71.01375	1.7
71.52509	1.0
82.02988	4.8
89.08738	0.8
94.52620	0.8
120.04529	2.0
124.04033	0.8
136.07675	1.6
137.02473	0.9
138.05566	0.7
147.03214	1.6
148.04048	13.1
149.04837	5.4
150.05606	14.1
150.09283	3.5
154.05101	2.2
160.04041	2.0
161.04794	4.9
162.05539	1.5
163.02797	1.4
164.03557	4.1
173.03558	5.6
174.04338	16.6
174.05673	0.8
175.02693	0.8
175.05066	4.5
175.06424	2.8
176.05914	0.7
186.05591	1.2
187.06306	1.7
188.07271	1.1
189.06688	7.6
189.10208	0.8
190.04991	0.8
190.05612	0.9
190.07475	18.5
191.05896	0.9
191.08177	1.5
195.58188	0.8
200.07173	2.5
201.07918	3.6
202.07411	2.8
202.08942	1.5
203.06041	0.8
203.08359	0.9
213.10352	1.3
214.07207	0.7
214.11052	2.0
215.08305	1.2
216.06679	1.3
217.07364	2.0
217.09790	2.5
228.06694	1.1
231.05594	1.2
231.07744	11.6
232.08531	25.0
233.09216	4.4
241.09807	1.2
242.08170	1.9
242.10460	0.9
243.07652	1.4
244.08336	9.7
245.07037	1.2
245.09253	3.6
246.07710	1.1
262.09518	1.6
268.08609	1.3
271.08374	0.7
275.09201	0.9
285.08856	2.5
286.09702	6.8
287.10422	1.4
289.09625	0.8
299.14038	7.9
303.09824	2.0
304.10385	1.0
324.13364	4.8
337.10571	2.0
382.17679	13.1
394.17691	3.1
395.15851	1.0
402.13330	0.8
412.18646	1.8
417.82791	0.7
436.18799	6.4
437.17297	3.1
449.16354	1.3
454.19836	54.4
455.20108	3.5
467.16882	2.6
480.17584	0.8
545.24115	2.6
575.25372	1.5
599.24866	5.2
617.26160	100.0
618.26526	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	967.5625
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03446	2.2
71.01380	22.9
71.04984	0.9
71.51628	1.4
73.02934	5.1
77.14114	1.1
79.08056	0.8
79.13918	0.9
81.03481	0.8
83.01402	2.1
83.05034	1.3
85.02945	6.5
85.77721	0.8
87.00887	6.0
89.01925	1.8
89.02441	20.5
95.01416	1.1
97.02964	4.3
97.06583	1.3
99.00887	1.2
101.02446	14.8
109.06633	0.9
111.04482	1.4
111.08153	6.7
113.02438	10.3
116.92858	4.4
117.65942	1.0
119.03481	4.8
125.02437	7.0
130.48538	1.1
143.03484	3.5
147.87572	0.8
153.09064	0.9
153.12933	1.1
161.04547	3.2
165.12756	1.5
169.12268	2.8
171.10223	3.3
179.05591	5.6
183.13847	1.3
195.13910	1.8
197.11819	33.5
198.12112	1.4
199.13382	1.7
207.13948	0.9
209.15428	5.9
211.13345	6.5
221.06641	2.0
221.11845	8.0
221.15361	1.0
223.16983	3.0
225.14954	3.9
225.32861	0.9
227.12949	1.8
233.15382	2.0
235.08215	6.4
239.12831	3.7
251.16565	5.6
253.09367	1.8
255.23305	3.8
263.20157	3.2
273.18521	1.8
277.21707	57.0
278.22067	2.8
279.05215	1.2
287.07681	1.7
291.19678	21.9
291.23019	1.5
292.19843	1.6
305.08698	2.3
309.20694	100.0
310.20956	3.9
323.09787	1.1
379.12344	4.3
397.13467	51.7
398.13879	2.5
415.14606	15.9
689.33911	1.7
707.34399	1.7
818.87042	1.2
875.49274	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	967.4541
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03462	1.5
71.01003	2.2
71.01379	27.5
72.99322	1.5
73.02939	11.7
83.01376	9.0
85.02943	15.8
87.00870	3.1
89.02449	3.8
95.01385	2.9
96.96024	1.5
97.02950	3.8
99.00906	5.3
101.02441	15.5
106.47053	0.9
107.05054	1.3
111.00859	1.4
112.01664	1.1
113.02434	11.6
116.92876	1.5
120.81358	1.1
123.00913	1.1
125.01589	1.2
125.02408	6.1
131.15604	1.0
133.02957	1.5
135.04489	3.5
137.02441	1.3
143.03500	4.0
149.02281	1.1
155.90617	1.1
161.04526	3.1
177.01982	1.8
179.60535	1.1
221.06734	1.5
225.59758	1.2
305.08759	1.3
441.33655	7.9
471.34863	22.1
472.35004	2.6
525.35132	1.2
541.44122	1.2
554.53400	1.3
585.38361	1.9
603.39075	3.2
615.39050	16.5
616.38654	2.7
633.39972	14.9
634.40997	2.6
657.40436	2.8
675.41022	30.6
676.41290	4.2
759.42883	2.1
777.44019	7.7
778.43250	1.5
795.45068	3.6
819.45441	47.4
820.45630	7.4
837.46344	60.3
838.46625	11.9
879.47467	100.0
880.47888	21.0
945.46405	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.4545
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03448	3.1
70.85603	2.3
71.01382	42.4
72.99300	2.6
73.02946	16.3
75.00867	1.5
83.01395	12.7
85.02950	21.6
87.00853	3.9
89.02444	8.9
95.01382	6.1
96.95979	2.1
97.02933	6.1
99.00893	7.5
101.02444	27.1
103.60496	1.5
111.00850	3.1
111.78181	1.2
112.01696	1.6
113.02453	20.8
115.00408	1.8
119.03481	2.4
123.74796	1.1
125.02444	7.4
131.03467	1.9
133.02954	5.3
135.04523	5.5
137.02449	2.1
137.05986	1.1
143.03474	5.1
159.02924	2.3
161.04619	6.0
177.01862	3.6
221.06648	2.5
231.10226	2.8
263.07761	1.4
315.15781	1.7
315.25333	5.0
346.23535	1.4
373.16360	1.2
469.33316	1.3
471.34875	45.9
472.34979	3.8
480.50262	1.2
579.37048	2.4
597.38116	1.7
615.38922	29.6
616.39386	4.8
633.40045	19.8
634.39984	2.1
657.40002	5.6
675.41168	39.9
676.41272	5.7
717.41193	2.4
759.43079	4.0
777.44586	13.8
778.44879	3.6
795.44983	7.3
819.45410	71.9
820.45837	12.4
837.46362	100.0
838.46387	14.7
879.47491	97.7
880.47650	19.1
895.05078	1.5
923.43030	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.456
Annotation	Unknow
Peak:m/z	Relative Intensity
67.40701	1.2
69.03460	2.8
71.01384	45.2
72.99313	2.4
73.02943	18.6
81.03430	1.8
83.01403	10.6
85.02950	20.6
87.00884	3.1
87.04518	8.3
89.02448	9.7
95.01395	4.6
97.02946	3.4
98.20663	4.1
98.30843	1.3
99.00871	7.4
101.02444	29.8
107.05051	1.8
111.00884	2.3
113.02460	19.3
113.03182	2.3
113.29887	1.3
119.03477	2.2
124.05548	1.6
125.02458	7.2
133.01442	1.4
133.02977	4.0
135.04552	9.1
143.03516	4.4
151.03946	1.5
159.03096	1.8
161.04526	6.8
165.64119	1.5
177.01947	2.2
211.13492	1.3
221.06625	2.4
231.10333	1.9
397.22318	6.0
427.32230	1.7
436.45596	1.3
439.23352	3.8
441.33832	12.1
471.34918	37.4
585.37964	3.0
615.38995	19.9
633.40100	12.1
634.40338	2.0
657.39728	4.1
675.41107	25.6
676.41406	4.1
749.36908	2.2
759.43152	3.8
777.44135	10.6
778.45087	2.9
795.44763	5.7
819.45227	38.2
820.45752	6.6
837.46289	84.0
838.47034	15.2
879.47498	100.0
880.48279	15.9
923.46362	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.5511
Annotation	Unknow
Peak:m/z	Relative Intensity
69.31700	0.6
69.32121	0.3
71.01367	0.2
79.95699	0.6
80.96562	0.1
85.46992	0.1
89.03934	0.1
96.95982	0.1
105.03452	0.9
109.02943	0.2
119.05016	0.5
133.02982	0.5
148.01686	0.2
149.02428	0.3
151.03986	0.3
160.61453	0.1
163.86760	0.1
170.00436	0.8
177.01952	1.0
183.01201	26.3
184.01617	0.9
196.03816	0.1
197.02757	4.4
198.03346	0.3
201.99518	0.1
209.04565	1.4
212.05107	0.2
216.00977	0.4
225.05931	0.5
230.02556	0.6
235.08054	0.1
239.07382	0.3
244.04080	0.1
247.20555	0.2
253.09230	0.2
255.23376	0.2
255.94241	0.1
267.10535	0.1
277.21777	0.2
293.21252	0.3
311.16849	100.0
312.17191	5.2
397.13589	0.5
522.47156	0.1
785.94788	0.1
834.90228	0.1
870.08405	0.1
903.43793	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.4384
Annotation	Unknow
Peak:m/z	Relative Intensity
67.09995	1.0
68.99826	1.2
69.03452	2.2
70.40430	1.2
70.40910	1.0
71.01381	52.4
71.01779	2.7
72.99297	3.3
73.02940	18.4
75.00851	1.6
81.03459	2.8
83.01389	13.2
85.02950	29.9
87.00866	5.7
89.02444	7.1
95.01401	7.7
97.02943	7.1
99.00872	8.3
101.02437	33.7
105.03449	2.6
109.02920	3.2
111.00838	2.0
113.01720	1.9
113.02451	26.2
116.92842	2.7
119.03513	1.8
122.90411	1.0
125.02444	11.4
129.01958	1.3
131.03494	1.6
133.02937	1.2
135.04482	1.4
137.02377	2.7
139.03969	1.1
143.03471	4.9
149.02390	1.4
159.02914	1.9
161.04556	7.1
177.01924	2.7
203.05560	1.6
209.04477	5.7
425.30795	2.3
441.33572	3.4
444.70663	1.3
453.35965	1.4
469.33368	8.3
587.35571	1.9
603.38959	9.7
613.37219	3.0
631.38306	2.3
645.40247	2.6
673.39374	6.8
715.40454	1.4
729.42346	2.3
747.43311	7.5
775.42889	13.1
776.42596	1.7
789.44525	6.0
793.44086	8.4
807.45178	2.9
817.43829	24.7
818.43921	2.2
835.44818	100.0
836.45117	15.4
877.45825	80.7
877.71271	1.6
878.45959	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	965.4386
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	1.0
71.01379	16.9
71.32099	1.5
73.02946	15.7
75.00872	0.8
83.01398	5.0
85.02943	4.6
87.00883	2.3
89.02436	3.2
89.74606	0.6
96.95989	1.0
97.02961	1.4
99.00875	1.4
101.02447	21.3
105.03449	2.9
109.02925	1.3
113.02444	8.6
116.92841	3.2
119.03487	2.5
125.02463	3.9
131.03476	3.7
133.01454	0.7
133.02948	1.7
135.04558	1.0
137.02469	1.0
143.03482	2.8
149.02405	1.1
149.04524	3.8
155.03574	0.8
161.04538	11.2
177.01909	3.4
190.04655	0.7
193.83768	0.9
203.05591	5.8
209.04547	5.2
221.06656	15.8
263.07730	14.4
305.08752	19.0
306.09085	1.3
323.09930	1.2
405.76517	0.8
451.32114	2.5
469.33206	100.0
470.33566	10.0
483.34906	0.9
511.34262	17.3
512.34436	1.8
541.35242	1.0
613.37323	1.7
655.38953	2.7
658.81995	0.9
673.39349	1.8
679.74097	0.8
715.40656	17.6
716.41333	2.3
817.43005	1.2
835.45801	0.8
877.45813	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.6857
Annotation	Unknow
Peak:m/z	Relative Intensity
69.04535	0.3
70.65486	0.3
71.01363	1.2
71.51788	0.4
71.52302	0.3
74.56842	0.3
78.50885	0.3
80.05079	0.4
81.03455	6.9
83.05027	16.2
101.02413	0.5
107.06124	0.4
108.04549	0.3
118.65305	0.3
125.07210	0.7
126.05556	0.6
135.04541	1.8
136.04836	0.4
140.63785	0.4
201.12199	0.4
207.14986	1.3
224.17650	2.7
225.16075	10.2
242.18863	0.5
246.50360	0.4
309.21957	0.5
333.22876	0.4
339.10370	0.4
341.10217	1.1
341.29199	1.0
367.27097	1.0
402.57800	0.4
415.19714	0.7
433.31656	1.3
450.34497	1.0
451.32892	8.6
452.32932	0.4
550.43231	0.8
567.46161	0.7
677.49591	1.8
776.60150	0.7
885.65497	0.7
903.66467	100.0
904.66882	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	960.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
67.65916	0.4
71.01382	34.1
72.01727	0.5
73.02947	10.9
73.13618	0.4
81.03427	0.6
83.01388	3.4
83.06155	2.4
85.02969	2.2
89.03973	0.5
95.01400	0.4
95.05038	0.6
97.02962	0.8
97.06606	0.9
97.11563	0.4
101.02438	6.2
105.03458	3.4
112.63129	0.4
113.02444	3.3
115.00375	9.9
117.03456	1.7
123.04493	0.4
125.02441	1.2
126.87286	0.4
133.02943	10.1
134.03745	23.6
135.04532	4.8
137.02478	1.2
143.03497	1.6
143.10785	23.1
143.11942	0.8
144.11147	0.6
145.02933	0.8
149.02383	0.6
155.03467	0.8
157.12338	2.9
161.02547	2.5
161.04521	2.3
162.03229	11.6
170.03951	2.9
170.05180	0.5
177.01950	3.3
178.02718	2.4
185.11909	2.0
187.07611	0.7
203.05696	2.0
203.10748	0.7
204.02361	0.8
231.10254	24.3
232.10576	0.9
247.07890	3.5
275.09250	100.0
276.09583	5.7
317.17053	2.2
359.18234	32.6
360.18423	1.7
391.10318	3.9
439.15237	0.7
478.21954	0.7
524.20605	0.7
733.12927	0.4
872.43988	0.5
905.66089	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	958.5234
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01381	11.2
78.95894	20.5
80.96515	14.5
85.41303	10.6
87.40166	9.9
107.05016	14.9
135.04559	100.0
136.04868	16.5
185.84972	10.6
188.60107	12.8
302.32190	10.8
945.20856	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	957.4333
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03455	1.3
69.23008	0.7
69.23415	2.0
69.33567	0.3
71.01379	14.0
71.01777	0.7
72.99312	0.4
73.02945	13.9
75.00874	0.5
81.03439	0.3
83.01382	4.8
85.02946	4.5
85.06603	1.2
86.00104	0.5
87.00872	2.1
89.02434	2.7
89.20344	0.2
93.73872	0.2
95.01373	0.6
96.96008	0.3
97.02944	1.2
98.20721	0.4
99.00873	1.0
99.92551	0.3
101.02439	20.4
102.02785	0.4
109.02901	0.3
113.02450	8.1
116.92857	4.1
117.01920	0.5
119.03501	2.2
125.01827	0.2
125.02460	2.4
127.03990	0.4
131.02521	0.4
131.03487	4.2
133.02965	0.4
135.04572	0.3
143.03479	3.2
149.04544	4.3
155.03476	1.2
159.03006	0.5
161.04543	12.3
161.05884	0.6
162.04839	0.2
168.98927	0.2
177.01949	0.7
179.05569	0.6
203.05600	6.4
221.06648	20.1
222.07008	0.5
263.07700	14.1
264.07956	0.4
275.09320	0.4
305.08755	21.4
306.09134	0.8
323.09738	1.1
331.26291	0.3
383.29523	1.2
399.32703	1.3
401.30414	0.9
410.71939	0.3
417.33673	3.7
425.31061	0.6
431.34937	0.3
443.31635	16.9
444.32147	1.4
459.34833	0.5
461.32684	100.0
462.33032	9.8
475.34454	1.2
503.33777	20.4
504.34070	2.6
533.35266	0.7
545.34869	0.4
605.36682	2.0
606.37274	0.3
647.37714	2.2
665.38953	1.4
707.40070	18.7
708.40503	2.3
795.44946	0.5
809.44348	0.5
827.44458	0.5
869.45233	1.0
870.44843	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	957.4329
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03440	1.4
69.41218	3.0
69.62298	0.4
71.01381	17.1
72.99306	0.8
73.02946	15.6
82.16502	0.4
83.01388	5.0
85.02953	4.2
85.06578	1.7
86.00105	0.5
87.00893	2.5
89.02435	3.8
95.01370	1.2
96.96008	0.5
97.02960	1.6
98.19840	0.6
99.00883	1.6
101.02444	21.9
113.01714	0.7
113.02452	9.0
119.03507	2.8
125.02464	2.4
127.04074	0.4
131.03491	4.5
133.02951	1.2
134.91263	0.5
135.04506	0.6
137.11319	0.4
143.03502	3.2
146.11288	0.4
149.04541	5.4
155.03506	1.7
161.03249	0.8
161.04555	12.8
177.01932	0.6
178.02565	0.5
179.05621	0.8
189.61752	0.4
190.48323	0.5
192.83752	0.4
203.05605	6.6
221.06656	19.5
222.07019	0.5
240.46658	0.4
263.04926	0.9
263.07703	15.0
264.08102	0.6
285.72672	0.4
305.08783	22.3
306.09021	0.6
323.09912	1.4
342.51447	0.5
367.26358	1.0
383.29593	0.8
385.27316	0.7
401.30597	2.5
407.11850	0.5
417.33621	2.1
443.31699	6.4
444.32059	0.6
461.32663	100.0
462.33047	8.6
475.34195	1.4
503.33755	18.6
504.34143	2.1
533.34314	0.7
545.35156	0.6
605.36548	3.0
633.39056	0.6
647.37592	1.9
665.39600	0.9
707.40057	19.8
708.40363	2.4
786.19672	0.4
827.46863	1.1
869.47455	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03463	1.1
69.32617	4.8
69.33037	3.3
71.01382	17.5
73.02954	13.0
81.51643	1.1
83.01394	6.0
85.02959	6.0
85.06580	9.5
87.00880	1.6
88.98824	1.3
89.02462	2.8
95.01378	1.9
96.95988	0.9
99.00885	2.1
101.02445	17.9
107.04991	1.5
113.00021	1.0
113.02447	7.7
115.00332	1.1
119.03479	1.3
125.02428	3.1
131.03487	2.4
133.03008	2.7
135.04518	2.7
143.03477	2.7
149.04510	4.6
161.04568	9.2
177.01924	2.7
179.03476	1.4
203.05637	6.2
211.41159	1.0
218.18732	1.2
221.06676	13.1
263.07678	8.9
305.08789	11.6
395.30072	1.1
397.30914	1.5
415.32074	5.7
416.32559	1.5
423.28943	3.2
441.30084	77.3
442.30469	6.3
459.31125	100.0
460.31354	8.6
473.32651	1.6
501.32187	18.9
502.32233	3.2
599.84204	1.1
603.35986	2.4
645.36078	3.2
663.37622	1.7
669.06219	1.1
705.38446	36.5
706.39282	6.8
763.35730	2.4
779.61066	1.1
807.44482	2.3
825.45984	3.8
867.47211	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	955.3609
Annotation	Unknow
Peak:m/z	Relative Intensity
71.03281	1.1
82.02975	2.8
83.15913	0.5
96.04533	0.7
96.96008	0.9
107.05025	0.8
108.04539	0.7
110.06110	0.6
111.64744	0.6
112.04064	1.1
120.04533	1.9
122.03715	0.7
122.06098	0.7
136.01671	1.0
136.03938	0.7
136.07690	2.6
138.05608	0.7
142.84125	0.6
147.03253	1.0
148.04048	14.2
148.05251	1.0
149.04819	4.9
150.05606	14.1
151.03972	1.1
151.05882	0.7
154.05090	2.0
160.04050	1.7
161.04811	4.7
162.05574	1.6
163.02739	1.6
164.03496	3.7
166.08676	1.1
173.03534	7.0
174.04335	14.7
174.05653	1.1
175.05077	5.1
175.06407	3.1
177.06635	0.8
177.09196	4.2
178.09464	0.6
186.05605	1.2
187.06352	1.7
188.07133	1.4
189.06673	8.5
190.05031	0.9
190.05594	1.0
190.07455	15.4
191.08154	2.0
192.03043	0.9
200.07144	1.7
201.07953	3.0
202.07492	2.6
202.09030	0.9
203.08223	1.4
205.08673	3.6
213.06689	1.0
213.10338	0.7
214.10989	1.0
215.08287	1.9
216.06677	1.1
216.10301	0.7
217.07419	2.0
217.09749	2.3
228.06572	1.1
231.07738	13.3
232.08511	20.8
233.09209	4.1
241.09714	1.2
242.08215	2.1
242.10516	1.3
243.07396	2.8
244.08150	6.8
245.09155	3.4
246.07631	1.2
247.08450	1.0
259.10846	0.8
262.09579	1.6
267.07721	1.1
268.08603	1.3
269.09482	0.8
277.10809	0.8
285.08743	2.2
286.09586	5.0
287.10300	1.3
289.09579	1.0
298.35312	0.6
303.09735	1.1
304.10583	1.1
313.34207	0.6
315.13528	8.3
337.10715	1.0
340.13010	3.7
357.13583	1.0
396.34583	0.6
398.17126	9.1
399.17526	1.3
409.17645	1.2
410.17313	3.4
411.15942	0.7
428.18393	1.9
434.16983	0.8
449.15833	1.2
452.18375	5.6
453.16690	2.7
467.16986	3.4
468.17297	1.3
470.19287	56.7
471.19574	4.7
503.19556	1.0
561.23657	2.3
573.22992	0.7
615.24548	6.2
633.25623	100.0
634.25940	13.8
635.25732	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
69.67554	7.8
71.01385	9.2
73.02965	6.9
83.01387	2.1
85.02956	6.1
85.03417	1.2
86.36572	1.2
89.24122	1.3
91.05548	1.8
96.95981	1.4
101.02427	11.2
107.05032	6.3
113.02435	5.2
116.19635	1.2
133.02969	2.1
135.04517	18.1
209.04532	1.6
375.71390	1.3
457.33109	2.8
557.38660	1.5
617.40448	4.9
619.38336	4.6
643.38348	2.9
661.39465	100.0
662.40009	12.1
823.45459	3.3
865.46631	3.3
891.43396	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	953.4769
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03448	4.2
71.01385	46.0
71.53027	2.3
72.99276	3.3
73.02945	14.0
83.01384	13.4
85.02956	20.9
85.73499	2.1
87.00874	4.2
89.02443	9.2
91.05564	3.4
93.03459	2.2
95.01399	6.7
96.96017	4.8
97.02953	6.5
99.00892	8.3
101.02444	24.3
107.05010	10.2
109.02932	3.3
111.00838	2.2
113.02433	20.0
125.02447	10.6
135.04527	35.8
137.02423	2.7
143.03514	5.4
149.02408	2.7
150.22571	2.2
161.04549	3.9
168.24368	2.1
177.01767	2.4
183.10014	2.2
209.04486	4.6
209.11775	2.7
211.13383	4.1
284.27441	2.5
291.67654	2.6
301.75879	2.4
457.36935	32.8
458.37338	3.1
601.41064	30.9
619.41986	31.1
661.43286	36.4
662.43829	5.6
678.75031	2.6
745.44794	4.3
763.46399	16.5
781.47345	8.5
805.47504	59.3
806.47711	12.1
823.48395	100.0
824.48950	12.9
865.49219	56.2
866.49811	8.1
891.44037	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	953.4015
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03448	1.2
71.01380	22.0
71.22774	0.4
71.23113	0.4
72.99285	1.3
73.02946	21.4
75.00867	0.6
81.03442	0.6
83.00916	0.6
83.01385	8.3
85.02950	5.4
87.00871	2.3
88.98792	0.6
89.02441	3.7
95.01368	1.0
96.95995	0.3
97.02951	1.2
99.00873	1.0
99.04569	0.4
101.02441	31.7
102.02743	0.5
107.05022	0.7
111.00852	0.4
113.02448	9.6
114.60831	0.4
119.03501	3.6
125.02445	2.7
127.03906	0.3
131.03502	6.0
133.02956	0.8
135.04524	2.3
143.03502	4.2
149.04565	4.8
155.03514	1.2
157.02194	0.4
159.03017	0.4
161.04547	14.6
161.05894	0.8
162.04907	0.4
171.32481	0.3
179.05557	1.3
181.75293	0.3
185.04601	0.4
203.05602	7.8
221.06648	20.8
222.06908	0.5
232.98607	0.3
245.06529	0.5
263.07709	14.6
305.08786	21.7
306.09119	1.2
323.09875	1.1
425.12967	0.4
457.29541	100.0
458.29910	8.2
471.30997	2.9
472.31732	0.4
499.30600	1.9
661.36188	0.6
670.27551	0.4
685.34204	0.4
703.36572	0.6
751.96472	0.4
763.40015	0.4
823.44379	1.1
865.47778	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.4012
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95699	1.2
80.96515	0.1
88.71490	0.1
96.96021	0.7
98.20663	0.2
99.92559	0.1
106.83266	0.1
116.92859	0.6
119.05021	0.8
167.00191	0.1
170.00418	1.3
183.01196	38.0
184.01692	1.2
197.02742	0.9
201.99347	0.2
211.04346	0.2
216.00946	0.9
225.05901	0.6
239.07474	0.4
244.03906	0.1
247.20590	0.3
253.09015	0.1
258.05719	0.2
272.07297	0.1
274.19998	0.1
281.16016	0.1
299.07977	0.1
309.17386	0.5
310.17709	0.1
311.16849	100.0
312.17169	5.2
404.79288	0.1
408.55743	0.1
466.93918	0.1
521.93439	0.1
627.24548	0.1
663.04242	0.1
953.40698	1.3
954.41058	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.5354
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	0.5
71.52500	0.3
73.02943	0.2
79.95753	0.7
89.02456	0.3
101.02437	0.3
105.03454	0.9
119.05023	0.5
123.04495	1.3
133.01462	0.4
133.02943	0.6
135.04527	0.3
137.02446	0.3
137.06078	0.2
149.02412	0.5
151.03986	2.5
170.00461	0.5
177.01869	0.9
181.05070	0.2
181.50156	0.2
183.01193	20.4
184.01942	3.4
195.02956	0.7
197.02762	0.5
198.03516	0.5
209.04532	2.3
213.05400	0.2
216.00981	2.5
225.05940	0.2
226.32980	0.2
230.02573	0.3
232.58479	0.2
233.19011	0.4
239.07559	0.4
253.09425	0.2
255.23264	1.2
277.21637	0.7
294.26169	0.2
295.22742	0.5
296.23196	0.5
297.15271	100.0
298.15601	5.6
397.13510	0.8
398.13773	0.3
845.43781	0.4
891.22229	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.4596
Annotation	Unknow
Peak:m/z	Relative Intensity
67.34444	1.0
67.57513	1.1
68.71744	1.1
68.99798	1.2
69.03445	4.2
70.11507	4.6
71.01379	58.4
72.99308	2.8
73.02946	20.4
75.00873	1.6
81.01233	1.4
81.03454	1.6
83.01391	18.5
85.02949	36.4
87.00875	5.3
89.01957	1.6
89.02430	8.1
91.97649	1.5
95.01360	8.3
96.96018	2.3
97.02959	9.1
99.00883	11.1
99.04496	1.8
101.02441	40.8
105.03457	1.5
107.05023	2.8
109.02943	1.7
111.00867	3.3
113.02451	32.4
119.03519	2.8
121.02924	1.4
123.00921	1.5
123.04496	1.8
125.02447	15.9
127.03991	2.4
133.02904	1.7
135.04527	8.2
137.02431	3.1
137.09683	1.4
143.03488	7.5
143.19099	1.3
149.02417	2.3
151.00412	1.1
151.03983	3.3
155.03473	1.6
159.02972	3.2
161.04549	9.1
177.01901	3.9
203.05650	1.9
205.43094	1.1
209.04495	2.2
211.13181	1.3
221.06650	1.4
224.41560	1.3
254.93895	1.1
265.09546	1.2
287.07635	2.9
386.18408	1.2
455.35443	3.5
548.19403	1.5
585.45367	1.4
592.04999	1.4
617.40479	3.8
659.42297	5.7
683.41473	1.3
707.20923	7.1
725.42560	1.6
739.23920	4.0
743.44177	2.0
755.43665	1.4
761.44824	24.2
762.45221	2.4
779.45685	11.0
803.45697	20.7
804.45923	5.0
821.46918	100.0
822.47546	15.9
863.48016	53.8
864.48077	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	949.6096
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01006	1.1
71.01384	15.8
71.51454	0.7
72.99294	1.5
73.02937	2.1
81.03432	1.3
83.01380	1.4
85.02952	3.2
87.00890	4.1
88.98811	0.6
89.02448	11.6
95.01378	0.8
96.51170	0.7
96.96015	1.2
97.02946	2.4
99.00910	0.6
101.02447	10.5
103.66521	0.5
105.03470	1.3
109.02948	0.9
113.02459	6.0
113.09702	1.2
115.00401	1.2
116.92845	1.3
119.03475	3.5
119.05009	0.7
121.02982	0.7
123.67397	0.7
125.02464	4.8
133.01437	2.7
133.02945	0.8
133.05135	0.7
135.04526	2.1
137.02437	0.8
137.06062	1.4
143.03502	1.2
148.01683	0.7
149.02512	0.8
161.04576	3.6
177.01950	1.2
179.03362	0.8
179.05630	2.3
179.14360	1.3
181.05020	4.5
195.13902	15.6
196.14275	0.7
199.76266	0.5
209.04489	1.9
221.06686	0.7
235.08234	6.8
253.09113	1.0
255.23283	34.4
256.23599	1.9
273.63806	0.6
277.21704	14.2
278.22003	0.9
287.07645	1.8
295.22775	100.0
296.23099	5.4
305.08887	3.2
324.51541	0.6
338.54199	0.6
397.13495	59.6
398.14020	3.0
415.14581	17.0
416.14886	1.1
653.37640	5.4
892.61554	0.6
896.52057	0.7
905.50122	0.7
921.47723	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.4435
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01895	1.8
68.99817	2.1
69.03452	3.9
70.09229	0.7
70.37487	2.9
71.01382	73.9
72.99310	3.6
73.02946	30.3
73.03357	1.5
75.00880	2.1
77.29105	0.9
81.03461	1.6
83.01391	20.9
85.02953	40.9
86.00064	0.9
87.00884	5.8
89.02445	11.2
93.03476	1.2
95.01379	10.5
95.05045	0.8
96.96011	1.0
97.02953	9.7
98.20531	1.2
99.00880	13.4
101.02446	46.2
109.02947	2.1
111.00888	2.2
112.01692	1.1
113.02453	34.5
115.03970	1.7
116.92857	2.4
119.03483	1.9
121.02966	1.4
123.04475	0.8
125.02453	13.2
127.03987	2.2
128.74716	0.7
129.01921	1.2
131.03477	1.6
137.02443	2.7
139.03990	1.2
143.03500	9.2
151.04028	1.4
155.03503	1.2
159.02963	3.1
161.04529	12.2
170.29655	0.7
179.05450	0.8
185.04445	1.3
200.22260	0.8
203.05600	2.9
221.06674	2.6
227.05516	1.1
267.54779	0.8
287.07651	1.4
318.56024	0.8
343.38388	0.9
422.59277	1.0
451.31934	1.4
453.33749	9.5
516.92017	0.8
545.08105	0.9
597.37738	1.3
615.38733	4.6
657.40295	3.6
699.41016	1.2
706.16901	0.8
759.43103	18.0
760.43518	2.3
777.44568	6.5
778.44586	1.4
801.44342	20.9
802.44586	2.4
819.45337	94.0
820.45953	14.4
861.46381	100.0
862.46741	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	949.4429
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	3.6
70.21941	4.2
70.22339	3.9
71.01380	42.5
71.78914	2.0
72.02862	2.0
72.99303	3.5
73.02953	15.1
77.30023	2.1
77.58167	1.9
83.01395	14.3
85.02947	31.5
87.00824	2.4
89.02448	6.7
89.41815	2.3
95.01385	9.2
97.02937	9.1
99.00875	7.7
101.02444	33.7
109.02957	2.9
111.00874	3.0
113.02448	28.5
116.92863	5.7
119.03530	2.9
121.02942	2.5
123.04536	2.5
125.02441	16.0
135.04526	2.3
137.02437	4.2
138.57716	2.0
143.03497	8.6
161.04559	7.8
161.48383	2.5
181.07744	2.4
192.16917	2.4
219.48581	2.1
226.47487	2.0
331.59311	3.1
453.33789	6.9
548.29486	2.1
586.21436	2.1
657.39783	5.1
759.43359	21.9
760.43317	5.1
777.44366	6.9
801.44318	17.9
819.45422	100.0
820.45477	17.9
861.46454	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	949.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
68.53128	0.5
85.51628	0.5
88.14796	0.5
108.02153	0.6
109.02959	8.9
121.02949	0.9
131.05038	1.0
132.02110	0.6
133.02943	2.2
135.04532	11.2
143.05003	1.6
145.02925	1.5
147.04523	1.0
158.03693	0.7
159.04526	14.4
161.02457	3.7
167.05025	0.5
171.04483	5.9
173.02287	1.1
173.06082	0.8
174.03204	0.8
175.03987	1.8
177.01985	0.6
181.35129	0.6
182.03761	0.8
183.04445	1.0
185.06081	2.1
187.03998	1.4
189.05531	1.0
195.04437	1.0
196.05260	1.3
197.06064	1.6
198.03212	5.3
199.04018	17.1
201.05554	0.7
203.03493	2.1
209.06096	1.1
211.04013	1.5
212.04790	1.0
213.05548	4.6
214.05931	0.6
215.03526	1.2
217.05006	2.7
221.06042	1.2
224.04787	0.9
225.05652	0.8
226.02654	1.5
227.03433	1.4
228.04269	0.9
235.07613	0.7
237.05573	1.7
239.03525	0.9
240.04320	8.0
241.05049	32.2
242.05298	1.2
243.02968	2.4
245.04518	2.0
249.05602	1.3
253.05014	0.9
255.98058	0.6
257.04517	1.0
261.05536	0.6
262.06406	0.6
263.07095	1.7
264.04361	0.7
265.04984	1.7
267.03006	1.8
267.06610	2.3
279.06592	2.1
281.04575	2.6
283.06094	20.5
284.06549	1.1
285.04056	5.7
290.05859	0.8
291.06519	2.5
292.07355	1.0
307.05966	0.9
308.07019	3.0
309.04083	7.3
315.06726	1.2
316.07288	1.1
317.04623	0.8
317.08188	1.8
323.05566	3.6
331.09744	1.3
335.05594	9.4
336.06134	0.9
340.09729	1.0
341.08340	0.6
355.06982	0.5
355.11749	3.0
359.09235	1.9
401.06393	0.8
403.08221	12.4
404.08517	1.0
445.09286	100.0
446.09579	6.9
489.08264	13.9
490.08893	1.1
672.59180	0.7
760.89899	0.6
791.87115	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
69.26943	4.4
69.27346	11.9
71.01379	56.6
73.02946	24.0
77.01875	1.9
83.01389	8.3
85.02958	21.3
87.00883	3.5
89.02445	20.7
95.01393	2.9
99.00887	7.4
101.02441	41.6
113.02441	24.9
119.03500	6.5
125.02464	4.1
129.02060	1.9
131.03479	2.4
143.03391	4.6
149.04501	2.2
151.03972	3.4
151.82965	2.1
159.03018	4.6
161.04568	18.4
179.05597	4.4
181.12379	2.1
189.12799	4.8
203.05547	3.5
203.10735	3.3
207.13861	4.4
222.66530	2.1
225.14836	4.1
231.10132	2.1
293.10388	6.3
300.02841	1.9
315.65500	1.9
351.18079	6.3
369.19177	34.8
370.19424	2.3
387.20227	83.5
388.20563	4.8
429.21252	100.0
430.21799	9.8
450.59186	1.8
469.57104	2.3
581.84088	2.1
609.14099	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	947.3911
Annotation	Unknow
Peak:m/z	Relative Intensity
67.31139	0.7
69.03474	0.8
71.01379	3.5
71.52026	1.3
73.02953	1.8
77.36037	0.9
78.95925	0.8
83.01375	1.1
85.02951	1.6
97.06577	1.6
101.02465	2.6
113.02467	1.5
130.04250	3.5
131.05028	1.7
133.01454	1.3
134.03758	2.9
135.04503	2.7
146.03714	1.6
147.04518	1.4
148.88033	0.8
149.06099	1.7
151.07623	1.0
158.03719	11.4
159.04539	10.2
159.08156	10.2
160.05327	1.0
161.06024	2.4
161.09697	2.0
171.08134	1.0
172.05284	1.7
173.06096	8.6
174.03236	4.2
174.06816	4.1
175.07680	4.9
178.02634	1.6
185.06088	3.9
185.09744	1.5
187.04158	3.7
187.07639	58.5
188.08206	3.2
189.05513	1.3
189.09212	22.4
190.09595	1.0
193.05052	7.0
199.07628	4.0
201.05562	2.3
202.02699	7.9
202.06380	16.0
203.03490	13.0
203.07141	7.9
203.08768	1.0
203.09131	1.0
203.10757	8.7
213.09216	6.0
214.09955	4.0
216.07889	3.0
217.08725	5.3
229.05101	1.1
229.08669	2.0
230.09419	1.5
231.06778	21.1
231.10243	100.0
232.07388	5.3
232.10822	5.4
257.08377	0.9
271.00919	0.8
275.09244	20.3
276.09988	9.6
277.10651	1.8
285.15042	1.1
310.61899	0.8
329.13943	30.5
330.14252	2.4
355.15448	1.2
373.16531	57.4
374.16882	4.5
417.15408	3.2
457.77866	0.9
672.42499	0.9
788.37231	0.9
816.10156	1.0
817.05859	0.9
859.46594	3.7
902.15497	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	946.4649
Annotation	Unknow
Peak:m/z	Relative Intensity
69.96125	18.6
71.01373	44.9
71.51372	24.0
78.95907	30.6
89.13095	20.0
97.02881	22.4
103.42856	18.5
116.92839	100.0
163.11223	21.3
171.10269	24.5
189.02266	18.6
207.10294	36.7
209.04491	37.1
277.21716	50.1
278.22073	40.7
317.81705	25.1
397.13550	41.0
457.63925	21.2
465.01312	26.9
576.38959	26.6
746.73291	22.9
769.05023	20.6
886.47070	42.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	946.4652
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01380	7.4
73.02942	2.8
83.01384	2.2
85.02958	4.3
87.00880	1.1
88.03471	0.5
89.02455	2.5
95.01378	1.0
97.02961	0.5
99.00864	1.4
101.02440	6.0
109.06574	0.6
112.52512	0.5
113.02446	2.9
121.02917	0.6
161.04585	0.9
187.15634	0.5
187.75781	0.5
211.13182	0.5
214.41644	0.6
270.45050	0.5
389.51263	0.7
427.35425	0.7
445.07590	0.6
473.36411	1.1
508.59784	0.6
617.40338	0.9
626.00793	0.5
635.41766	2.9
659.41504	0.7
677.42743	4.4
779.44550	1.0
797.47113	1.2
839.47974	100.0
840.48334	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	946.4649
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01380	49.7
73.57685	27.2
78.95893	31.4
82.69292	24.0
89.02446	32.1
101.02477	33.0
109.06551	40.2
113.02422	29.6
116.92864	100.0
207.10275	81.4
209.11827	35.7
257.06311	25.3
277.21722	43.0
278.22104	31.4
397.13675	53.1
886.47687	37.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	944.4637
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99574	3.7
71.01393	5.6
71.51605	2.3
94.92480	1.7
95.10303	1.7
96.96037	3.4
100.92627	1.8
101.02435	3.4
107.05072	1.9
108.04543	2.5
111.00142	1.7
113.02467	1.9
113.28547	1.9
116.92861	11.4
117.92880	2.8
121.02979	1.8
122.03722	6.1
123.04533	7.6
125.09709	4.1
133.01459	1.7
135.04524	21.5
137.09705	2.3
152.07181	6.3
160.04057	5.6
161.06140	2.2
162.05617	26.3
164.07140	3.7
176.07184	3.1
200.07080	8.9
202.07056	2.2
202.08730	10.5
203.09079	2.2
211.13383	5.1
214.08861	1.8
216.10265	13.2
234.15034	1.7
235.13353	2.7
242.08182	3.2
244.09767	10.5
248.16788	1.8
249.18626	8.2
252.16199	2.9
261.83566	1.7
284.46973	1.7
285.28842	2.3
352.19156	7.0
368.18686	3.0
370.20239	47.2
371.20471	3.6
388.21286	24.0
389.21588	1.9
412.20444	1.9
414.19223	15.7
416.88846	1.8
432.20294	2.3
624.29724	3.2
643.80762	2.0
668.29608	12.5
799.30206	2.0
856.48083	2.6
900.47504	100.0
901.48193	21.1
926.53156	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	944.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
69.66171	2.6
71.01385	15.5
73.02946	6.9
83.01386	2.7
83.06142	9.7
84.98649	0.6
85.02956	6.8
87.13554	0.5
89.02425	1.7
90.82201	0.5
92.05008	0.5
95.01386	1.2
99.00869	2.6
101.02440	10.6
108.85738	0.5
113.02466	6.6
126.64909	0.5
143.03453	0.7
159.02988	1.5
160.98569	0.5
161.01811	2.4
161.04544	6.9
170.03931	8.0
176.17894	0.5
204.02348	2.3
205.03110	1.6
238.91049	0.5
247.07791	9.0
249.68811	0.5
283.99316	0.5
289.16568	5.0
297.18509	0.5
317.17160	8.2
331.17603	2.6
333.31787	0.6
342.81204	0.6
359.18222	100.0
360.18613	6.1
403.17160	2.0
439.15549	3.5
442.71994	0.6
478.21997	2.4
524.21167	2.4
650.39124	0.5
688.54614	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.4913
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03459	1.9
71.01381	26.1
71.35662	1.8
73.02952	3.8
77.64407	1.4
78.95880	1.8
80.96522	2.2
81.03458	5.7
83.01384	1.8
83.05029	3.9
85.02950	4.9
87.00880	4.2
88.98798	4.3
89.02436	16.1
97.02953	10.5
99.00879	3.5
101.02432	16.3
102.26634	1.6
102.88828	1.8
109.06580	32.6
113.02444	8.8
116.92867	3.2
119.03477	4.7
121.06601	3.5
125.02431	8.0
134.42662	1.5
135.08138	3.5
136.05266	2.2
143.03505	2.6
161.04579	5.2
161.09692	4.8
163.11276	21.5
179.05602	5.1
181.12314	4.4
189.09206	2.9
199.75203	1.6
207.10257	100.0
208.10583	4.5
209.11859	3.1
211.13396	1.9
221.06610	3.0
221.11414	1.6
225.11305	44.9
226.11655	1.8
229.74339	2.5
235.08185	4.1
243.12430	1.8
277.21698	56.4
278.22052	5.4
287.07779	1.6
305.08734	2.4
323.09872	1.8
355.63046	1.6
379.12350	9.8
397.13495	38.8
415.14648	13.5
501.15283	1.8
587.23083	2.4
605.24323	9.1
623.25604	9.3
702.21088	1.6
865.46930	2.1
883.46912	62.5
884.47760	11.0
943.45471	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	943.4904
Annotation	Unknow
Peak:m/z	Relative Intensity
70.38427	1.8
71.01376	31.1
72.99294	2.6
73.02940	5.7
78.95883	2.6
80.02701	2.6
80.96500	6.7
81.03459	6.6
82.70708	2.0
83.01385	3.5
83.05033	5.2
85.02953	7.0
87.00881	7.6
88.98814	2.5
89.02445	18.9
95.01354	2.6
97.02949	10.5
97.06622	2.3
99.00897	2.0
101.02439	17.4
109.06596	27.5
111.04603	2.1
113.02448	11.6
116.35207	1.8
116.92896	3.5
119.03514	7.4
119.97306	1.8
125.02435	8.1
135.08157	4.7
143.03503	3.5
161.04518	4.7
161.09724	2.2
163.11304	20.6
164.98553	2.3
179.05602	3.9
181.12302	4.3
189.09276	3.5
207.10255	100.0
225.09239	3.3
225.11307	40.2
235.08182	7.2
255.22987	2.3
277.21722	79.2
278.21994	5.9
302.25635	2.0
325.18478	2.9
379.12320	7.7
397.13486	61.7
398.13770	4.2
415.14255	16.3
571.69757	2.1
587.24152	2.8
605.24396	8.4
675.36279	3.5
698.66071	2.0
883.46967	71.6
884.47095	11.5
925.46887	4.0
943.48004	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	941.5107
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01380	8.6
71.52824	0.4
73.02949	0.5
74.22409	0.2
77.39948	0.3
96.95986	0.3
98.13548	0.3
101.02449	0.9
104.45548	0.3
113.02473	0.3
126.48708	0.3
127.07664	1.4
134.82788	0.3
135.04494	0.5
148.05316	0.6
151.07658	0.7
164.08400	0.8
177.09193	3.6
190.10040	0.5
192.11540	7.1
193.12099	0.3
205.12334	3.6
207.13879	1.9
217.08551	0.6
218.09433	2.4
220.14674	41.0
221.15451	100.0
222.15778	5.2
228.90875	0.3
235.13324	2.0
236.10522	84.5
237.10931	3.9
249.18568	0.3
276.14252	0.3
293.17578	54.3
294.17911	3.6
397.13431	0.7
431.85199	0.3
443.31052	0.5
444.31888	0.6
445.32254	0.4
654.73755	0.3
689.37445	0.4
846.48944	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.4533
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03451	1.0
70.62971	0.6
70.81636	0.3
71.01381	17.5
72.99313	0.7
73.02946	19.1
75.00858	0.5
81.03458	0.5
83.01389	7.2
85.02953	3.9
86.86837	0.3
87.00867	2.1
89.02437	2.8
95.01382	0.9
97.02943	1.1
98.20672	0.3
99.00883	0.9
101.02441	26.9
102.02768	0.5
108.53139	0.3
111.00878	0.3
111.69427	0.3
113.02440	8.2
119.03510	2.0
125.02431	2.7
131.03508	4.0
136.11861	0.3
137.02477	0.3
143.03502	2.8
149.04570	4.6
155.03447	1.2
159.02834	0.4
161.04546	10.7
179.05553	0.7
185.04584	0.5
203.05603	6.3
221.06653	16.3
263.07697	12.3
264.07831	0.3
305.08759	16.7
306.09079	0.4
323.09811	1.2
347.09750	0.6
407.11859	0.6
425.13232	0.4
447.34769	100.0
448.35126	10.1
461.36292	2.7
462.36548	0.7
479.80624	0.4
489.35886	3.2
490.36172	0.4
519.36603	0.4
524.34351	0.3
533.34534	0.4
591.38770	0.5
651.41138	1.2
693.42206	0.8
753.44623	0.8
795.46082	0.4
813.47021	0.6
817.88928	0.4
855.47809	1.2
877.06970	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.4749
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03456	3.6
70.73218	7.5
71.01381	69.6
72.99343	3.3
73.02944	26.7
83.01384	18.3
85.02946	45.1
87.00874	8.9
89.02460	11.0
94.51563	2.7
95.01392	11.8
96.95979	4.1
97.02945	10.9
99.00877	11.5
100.89314	3.4
101.02440	57.3
109.02959	3.5
111.00945	4.1
112.01659	3.2
113.02454	35.7
125.02426	16.3
135.04541	3.4
137.02394	3.6
143.03485	9.6
155.11974	7.6
159.03043	4.4
161.04576	13.1
184.75116	2.9
190.70131	2.7
203.05554	8.1
214.52039	2.8
257.09201	3.1
445.33191	7.4
476.90610	3.2
607.42523	5.1
703.02295	3.0
751.45990	22.9
752.45459	3.9
769.47540	10.2
793.47498	26.2
811.48438	91.5
812.48480	15.8
839.48169	3.6
853.32916	5.2
853.49500	100.0
854.49524	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	941.4749
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03456	3.6
70.73218	7.5
71.01381	69.6
72.99343	3.3
73.02944	26.7
83.01384	18.3
85.02946	45.1
87.00874	8.9
89.02460	11.0
94.51563	2.7
95.01392	11.8
96.95979	4.1
97.02945	10.9
99.00877	11.5
100.89314	3.4
101.02440	57.3
109.02959	3.5
111.00945	4.1
112.01659	3.2
113.02454	35.7
125.02426	16.3
135.04541	3.4
137.02394	3.6
143.03485	9.6
155.11974	7.6
159.03043	4.4
161.04576	13.1
184.75116	2.9
190.70131	2.7
203.05554	8.1
214.52039	2.8
257.09201	3.1
445.33191	7.4
476.90610	3.2
607.42523	5.1
703.02295	3.0
751.45990	22.9
752.45459	3.9
769.47540	10.2
793.47498	26.2
811.48438	91.5
812.48480	15.8
839.48169	3.6
853.32916	5.2
853.49500	100.0
854.49524	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	941.4759
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01877	1.1
69.03469	4.8
71.01383	66.3
72.99300	2.6
73.02946	24.7
75.00872	1.5
77.42138	0.8
81.03444	1.8
83.01389	17.3
85.02951	38.4
87.00880	7.1
89.02443	7.5
89.03371	0.8
93.03452	0.8
95.01378	8.7
96.96007	1.3
97.02948	9.1
97.06579	0.7
98.19812	1.4
99.00269	1.2
99.00882	12.3
99.04507	1.3
101.02444	48.7
109.02927	2.3
111.00890	4.7
112.01638	1.8
113.02448	33.5
115.04077	1.1
119.03465	2.1
121.02915	1.2
125.02462	15.3
127.03997	1.0
131.03487	1.3
133.02927	2.8
134.03645	1.0
135.04482	1.1
137.02414	1.4
138.03178	0.9
139.03952	1.4
143.03508	10.1
151.03915	0.7
155.03459	2.2
159.02937	3.6
161.04558	13.0
177.01959	1.7
187.07634	0.9
203.05579	3.1
209.04428	1.3
221.06589	2.3
226.59442	0.9
229.74783	0.9
229.76881	1.0
231.10181	2.2
245.06573	0.9
263.07462	1.2
287.07776	1.5
305.08914	1.2
373.16370	1.4
445.33148	3.1
489.35745	1.2
607.42230	4.9
649.43079	3.9
691.43988	1.4
715.43604	1.1
745.44647	2.1
751.46289	28.1
752.47186	4.6
769.47223	7.6
770.47430	1.8
779.45221	0.9
793.47455	36.3
794.48688	5.1
811.48486	100.0
812.48700	16.0
853.49438	48.9
854.49847	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	941.4755
Annotation	Unknow
Peak:m/z	Relative Intensity
66.27986	1.0
68.99847	1.6
69.03461	5.6
70.11790	2.3
70.12184	2.3
71.01382	67.7
72.99308	4.0
73.02943	25.9
75.00887	1.6
83.01385	16.6
85.02955	34.8
87.00894	6.2
89.02431	8.7
95.01389	9.8
97.02958	8.9
98.19958	1.2
99.00871	13.6
101.02443	46.0
109.02921	1.3
111.00888	5.3
111.04522	1.5
112.01677	1.3
113.02454	35.0
114.03265	1.7
119.03521	3.3
122.10699	1.0
124.01646	1.0
125.02470	16.7
127.04086	1.1
131.03487	1.6
133.02985	1.9
135.04526	1.0
137.02399	1.6
143.03494	11.4
155.03487	1.6
159.03032	2.7
161.04559	11.2
174.59265	1.1
177.01917	2.0
181.50363	1.0
203.05566	2.9
219.51289	1.0
221.06754	2.2
231.10257	2.5
263.07925	1.4
287.07764	2.0
438.41742	1.1
443.35248	1.4
445.33328	5.6
595.01355	1.4
607.41876	5.0
649.43219	3.1
733.46277	1.3
751.46417	26.0
752.46594	4.1
769.47211	7.6
770.47089	1.3
793.47290	32.2
794.47858	5.0
811.48474	100.0
812.48694	17.6
853.49506	52.4
854.49988	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	941.439
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03455	1.5
69.49400	0.5
71.01384	17.5
71.52935	0.7
72.99300	1.0
73.02550	1.3
73.02946	17.8
81.03465	0.6
83.01389	5.7
83.49653	0.5
85.02956	5.3
87.00864	2.0
89.02457	2.4
95.01398	1.3
96.96010	1.5
97.02962	1.2
99.00884	1.1
101.02441	24.8
113.02451	7.0
119.03520	2.8
125.02455	2.8
131.03479	3.7
131.85164	0.6
133.02989	0.9
137.02414	0.8
141.38506	0.6
143.03502	3.4
145.97063	0.5
149.04567	4.3
155.03488	1.2
161.04550	11.6
172.30438	0.6
179.05672	0.8
203.05634	4.5
209.04474	0.6
221.06667	14.3
263.07709	11.3
305.08752	16.3
306.08984	0.7
323.09702	1.1
407.12299	0.7
445.33212	100.0
446.33557	11.9
459.34711	2.7
483.85919	0.7
487.34592	2.8
649.39264	0.9
691.40753	1.7
751.42957	1.1
811.44604	1.7
853.46466	1.0
941.49261	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.5308
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95896	2.8
83.05059	0.6
102.20182	0.5
200.70610	0.6
204.93987	0.6
205.19708	1.3
259.24268	7.0
303.23291	100.0
304.23575	6.7
598.71246	0.7
794.75580	0.7
916.69446	0.7
939.53351	6.7
940.53601	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03452	0.8
71.01379	18.4
71.52449	0.5
72.99307	0.8
73.02947	17.0
73.69630	0.4
81.03465	0.6
83.01381	6.0
85.02960	6.1
87.00894	2.5
89.02454	3.2
95.01389	1.5
97.02966	1.0
99.00877	1.2
101.02439	23.8
113.02460	9.0
115.87378	0.4
119.03506	2.8
119.59961	0.5
125.02436	2.5
131.03505	4.2
133.02960	1.1
135.04478	0.6
137.02475	0.7
143.03514	4.0
149.04547	6.3
155.03458	0.9
160.37248	0.6
161.03261	1.1
161.04546	14.7
169.37323	0.4
177.01978	0.8
179.05579	0.9
203.05591	7.0
221.06650	20.6
263.07715	14.9
305.08771	18.1
323.09760	1.3
357.24121	0.5
385.27661	3.4
386.27634	0.6
427.28555	3.8
428.98300	0.6
445.29538	100.0
446.29932	9.4
459.31174	1.4
487.30612	19.1
488.30792	2.4
517.31848	1.0
533.06732	0.6
589.33936	2.1
590.33887	0.6
617.26251	1.0
618.26660	0.8
630.31952	0.6
631.34827	1.8
649.36517	0.7
691.36945	19.8
692.37262	3.3
695.89117	0.6
779.45740	1.0
811.45154	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.4594
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03444	4.9
71.01381	65.7
72.99323	2.6
73.02942	28.1
75.00867	2.2
78.95884	1.6
81.43455	1.4
83.01385	21.1
85.02948	38.1
87.00881	8.4
88.98818	12.1
89.02442	9.2
95.01392	10.3
96.96001	8.1
97.02956	13.6
99.00884	12.0
101.02441	47.1
108.26128	1.7
109.02942	2.2
111.00880	3.2
113.02449	37.8
113.10221	1.6
117.36079	1.5
119.03489	1.7
125.02466	16.3
135.04543	1.9
137.02448	3.1
139.04059	1.7
143.03477	9.7
159.02960	3.5
161.04582	12.4
175.06342	5.3
203.05586	3.3
219.09087	3.5
242.87971	1.9
287.07874	1.9
300.15976	2.7
344.18634	4.4
360.19073	1.5
441.33688	5.6
442.33990	6.4
443.35010	3.6
539.37250	2.3
544.47852	1.5
583.68384	1.8
587.39508	2.0
605.40692	3.3
647.41681	5.4
655.76849	1.7
668.35852	1.7
749.44879	30.5
750.45111	5.7
767.45819	9.9
791.45758	32.5
792.46198	5.6
809.46887	100.0
810.47272	18.0
851.47937	73.1
852.48157	13.0
858.50366	17.9
859.50952	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	939.4595
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03451	3.3
70.02345	2.1
70.02733	2.0
71.01382	46.4
72.99300	3.7
73.02947	16.3
75.00860	1.1
75.14286	0.8
77.64146	0.8
81.03459	2.0
83.01384	13.6
85.02948	29.9
87.00875	4.4
88.98803	10.3
89.02442	6.1
95.01394	7.6
96.96004	2.2
97.02945	7.6
98.20557	1.6
99.00876	9.3
101.01801	1.9
101.02448	30.1
109.02921	1.5
111.00878	3.9
112.01674	1.2
112.98518	1.0
113.02448	29.3
119.03516	2.0
121.02949	1.2
123.04544	1.3
125.02439	17.2
127.04016	2.2
135.04527	1.1
137.02448	1.3
143.03520	6.9
155.03482	1.1
159.03029	2.3
161.04538	8.2
211.86382	1.0
221.06714	1.5
271.59421	0.9
278.60281	0.9
330.02557	0.9
395.64981	1.1
605.40472	2.4
647.41608	3.4
689.42291	2.4
713.42017	1.5
731.43036	2.0
743.43640	3.1
749.44696	22.3
750.45569	3.8
755.44086	1.4
767.45197	2.9
791.45941	37.9
792.45935	5.4
809.46918	100.0
810.47266	16.2
851.48077	23.5
852.48102	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	939.4594
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03458	5.0
70.84987	1.5
71.01385	68.6
72.99282	2.4
73.02949	24.6
78.95910	2.2
83.01385	16.5
85.02949	43.8
87.00877	4.4
88.98798	14.5
89.02435	8.4
95.01391	10.8
96.96058	3.8
97.02950	11.0
99.00890	12.0
101.02446	46.2
109.02924	2.3
109.18497	1.9
111.00854	4.3
113.02452	37.6
121.93694	1.7
125.02463	13.7
125.97195	1.7
131.03506	2.5
133.02983	2.1
135.04507	3.7
137.02422	3.9
143.03484	6.6
149.27832	1.8
151.03952	1.8
155.03630	2.1
159.03004	2.6
161.04538	11.9
177.01840	1.8
179.05667	3.3
203.05554	3.7
221.06642	5.5
229.65910	1.9
305.08698	3.6
443.31503	15.7
444.31995	2.0
485.32196	2.7
506.96655	1.9
605.40967	2.4
625.74292	2.1
647.41663	3.8
689.41455	2.2
749.44714	18.3
750.45862	2.9
767.45618	7.1
791.45984	21.1
792.46472	4.1
809.46906	93.7
810.47351	14.6
851.47968	100.0
852.48218	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	939.4233
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99789	0.2
69.03439	0.8
69.48856	1.7
71.01383	15.1
72.99296	0.7
73.02946	18.7
74.03278	0.3
75.00871	0.7
81.03451	0.4
83.01387	6.0
85.02946	3.8
87.00870	1.6
89.02447	2.2
90.84615	0.3
95.01362	0.7
97.02956	0.9
99.00868	1.1
99.04484	0.3
101.02443	24.6
113.02448	7.5
116.92837	0.3
119.03513	2.1
125.02438	2.3
131.03494	3.8
133.02971	0.4
143.03506	2.7
147.02930	0.3
149.04558	4.0
155.03511	1.0
159.03006	0.3
161.04555	11.7
162.04985	0.3
168.74631	0.2
173.04587	0.2
179.05605	0.7
185.04587	0.3
203.03772	0.5
203.05600	5.9
214.52364	0.2
221.06662	14.9
222.06987	0.3
223.19943	0.2
225.97789	0.2
263.07709	11.5
277.74933	0.2
305.08762	18.7
306.09146	0.5
323.09778	1.0
358.15735	0.2
407.12036	0.4
425.12964	0.6
443.31644	100.0
444.25836	0.4
444.31982	8.9
453.11618	0.2
457.33224	3.2
458.33835	0.3
466.37589	0.2
485.32816	2.3
487.34586	0.3
629.36615	0.4
647.38287	0.5
689.38922	1.2
749.41022	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.4232
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03459	0.7
70.64836	1.0
71.01379	17.6
72.99299	1.5
73.02943	17.6
73.03355	0.7
75.00860	0.7
83.01390	6.6
84.04575	0.6
85.02944	4.7
87.00874	3.0
88.98788	5.0
89.02454	2.6
95.01400	0.9
97.02952	1.8
99.00887	1.8
101.02435	23.0
109.02946	0.7
113.02444	10.3
119.03497	3.2
125.02442	3.5
131.03490	5.2
135.04471	0.7
143.03503	3.8
149.04564	6.7
155.03465	1.4
156.85858	0.6
159.03017	0.8
161.04544	14.0
163.94493	0.5
179.05562	0.9
203.05621	9.0
221.06648	21.5
222.07088	0.6
263.07703	16.1
264.07895	0.8
285.89093	0.5
286.19861	0.6
300.15887	0.6
305.08798	18.6
323.09842	1.0
355.26431	0.7
365.18634	0.7
425.30566	1.9
441.29941	3.2
442.30316	2.0
443.31613	100.0
444.31952	9.9
445.11044	0.7
457.33231	2.3
485.32651	20.8
486.33133	2.2
515.33618	1.0
587.36414	2.7
629.37018	1.3
647.37622	1.3
689.39081	22.4
690.39288	2.5
809.46008	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
66.35419	0.7
67.22655	0.8
69.76347	3.9
70.24448	0.6
71.01385	24.6
71.05022	12.7
73.02947	29.5
75.02401	1.1
77.03986	1.0
78.00005	0.6
83.01400	6.3
85.02959	4.0
87.00912	0.9
93.03472	1.2
96.96014	2.2
97.03013	1.0
101.02440	16.0
105.03450	9.4
107.05064	1.9
113.02435	5.9
117.03493	0.9
121.02963	21.1
123.04496	1.4
125.02448	2.8
133.02893	1.7
134.03748	18.5
135.04495	1.4
143.03523	5.4
147.00891	4.2
147.04535	1.1
149.02417	4.0
149.09731	3.2
155.03519	1.6
160.01662	1.9
161.02448	91.2
162.02792	3.4
177.01836	1.0
177.09219	5.4
189.01932	35.2
190.02271	1.3
190.99846	1.4
193.10985	0.8
203.03694	1.2
203.05609	2.1
219.02971	7.5
221.08182	100.0
222.08521	4.6
231.03012	2.6
291.05157	1.6
312.25497	0.7
351.07239	1.5
359.18274	0.8
364.47760	0.9
436.91586	0.6
454.19894	1.2
617.26068	1.8
635.37421	0.9
683.49701	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.4477
Annotation	Unknow
Peak:m/z	Relative Intensity
69.56174	3.7
69.56593	5.0
70.40125	13.6
71.01384	48.5
73.02950	26.9
77.58430	3.9
79.79771	4.0
83.01376	14.3
85.02956	23.4
87.00925	5.5
88.98794	23.4
89.02434	13.4
96.95989	5.3
97.02931	8.8
99.00885	8.8
101.02454	41.3
107.05018	22.2
109.02977	5.4
113.02441	30.0
114.55691	4.6
116.92826	5.6
125.02444	17.3
131.03452	5.6
135.04523	62.4
136.04831	17.3
143.03484	11.2
159.52699	5.5
161.04567	15.1
203.05595	11.4
209.04585	9.1
211.13589	6.0
221.06651	14.9
222.56070	4.4
263.07724	14.8
305.08676	14.5
441.30029	100.0
442.30466	14.6
604.57648	5.0
747.42651	7.6
789.44586	7.1
807.45160	39.1
808.45496	9.0
849.46381	31.8
893.44818	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	937.4068
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03454	0.8
70.69653	0.3
71.01380	15.5
72.40720	0.3
72.99312	0.6
73.02944	22.4
75.00871	0.5
81.03451	0.4
82.27991	0.4
83.01385	7.1
85.02959	3.9
86.00090	0.3
87.00880	2.2
88.98798	0.9
89.02451	2.3
95.01378	0.8
95.56712	0.3
97.02956	0.9
99.00870	1.0
101.02439	27.2
102.02779	0.4
107.05041	0.4
113.02448	8.3
115.31647	0.3
117.01958	0.4
119.03509	2.4
125.02433	2.4
131.03505	4.1
135.03590	0.3
135.04510	2.0
135.79709	0.3
143.03496	3.2
149.04559	5.0
155.03493	1.1
159.03139	0.5
161.04541	11.4
179.05551	1.1
188.39316	0.3
203.05592	6.7
221.06638	15.7
222.06966	0.7
263.07709	14.2
305.08752	15.7
306.09073	0.8
323.09848	0.9
365.10736	0.4
380.82629	0.4
407.11856	0.6
441.30051	100.0
442.30383	10.6
455.31787	2.3
456.32159	0.5
483.31339	1.5
491.78464	0.3
525.32544	0.4
645.35577	0.3
687.37231	0.8
807.45721	0.4
875.26752	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03449	0.5
71.01382	0.5
71.52399	0.2
73.02942	1.0
83.01391	0.2
97.14156	0.1
101.02429	1.0
115.00383	0.2
123.03257	0.3
129.07086	0.4
131.03502	0.2
133.01404	0.4
134.03706	0.3
138.05609	6.1
139.05974	0.2
143.95174	0.1
145.06607	0.6
175.10390	0.1
180.10275	0.3
186.09218	0.3
193.05023	0.4
198.09256	1.0
212.10866	0.3
213.07875	0.2
214.08727	14.5
215.07262	0.1
215.09055	0.7
223.11191	0.2
226.12370	0.4
232.07477	0.1
239.14394	0.2
240.10309	1.0
241.15826	0.2
250.12361	0.4
252.13922	0.2
268.13403	13.6
269.13538	0.4
269.15631	0.5
271.17062	0.3
278.11816	0.3
282.09811	0.3
282.14954	0.2
284.13474	0.2
284.16522	2.3
296.16248	0.2
300.16025	100.0
301.16370	6.2
301.19144	0.1
310.14606	0.6
312.16077	1.0
313.16635	0.2
314.17633	0.7
322.18051	0.3
342.17068	9.9
343.17401	0.6
461.82458	0.1
502.54840	0.1
525.03510	0.1
756.52637	0.1
910.74323	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.4481
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	1.5
71.52605	0.9
71.52975	0.8
78.95911	1.3
81.03457	0.9
81.50541	0.8
81.51122	0.9
89.03972	3.4
91.43848	0.7
95.05053	2.3
105.03459	41.5
109.02948	10.3
116.92862	1.2
121.02943	3.4
123.04498	2.4
133.02965	23.6
135.04512	2.0
137.02446	13.5
144.31392	0.8
148.01697	5.9
149.02434	17.3
150.03220	1.0
151.03972	0.9
162.22470	0.8
175.02280	0.7
177.01932	50.9
178.02345	2.6
187.91020	0.8
209.04550	100.0
209.65634	0.8
210.05147	7.2
211.13380	15.3
230.71346	0.9
235.08226	1.1
249.18605	8.7
255.23225	1.4
256.16742	0.9
277.21698	1.0
311.16656	1.1
447.22455	1.8
519.11145	0.9
889.46027	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
69.85191	1.4
71.01382	12.5
76.25745	0.3
89.03993	1.1
92.60397	0.3
107.60918	0.3
115.00375	4.4
117.03463	5.9
117.85043	0.3
118.03780	0.3
121.02987	0.9
125.50394	0.3
133.01405	0.9
133.02979	0.4
134.03741	60.5
135.04057	2.3
137.02396	1.5
137.36183	0.3
138.05580	0.3
149.02435	7.2
149.06075	5.7
150.03249	2.6
164.04785	1.8
165.05566	3.3
166.06329	0.4
167.07143	0.4
168.96826	0.3
178.02719	4.9
193.05046	100.0
194.05415	4.1
195.06660	1.9
214.08833	0.5
298.99023	0.4
300.02722	0.4
300.16003	4.1
301.03467	0.4
301.16019	0.3
309.06161	3.5
314.11539	3.8
316.25540	0.3
329.13934	16.9
330.14307	1.2
353.55417	0.3
371.15018	0.7
376.14523	0.5
377.16040	10.9
378.16574	0.5
419.17059	0.4
436.52545	0.4
452.99799	0.3
525.98859	0.3
582.59674	0.3
586.74341	0.3
628.31488	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	14.1
72.99313	2.6
75.71223	1.6
84.28736	1.5
115.00375	34.2
121.02973	8.2
122.03738	5.1
133.01439	69.3
133.02992	6.1
134.03754	49.8
135.03662	1.8
135.04556	30.9
137.02411	4.8
139.03993	1.8
149.02425	13.6
149.06078	13.6
150.03233	29.9
164.04741	2.6
165.05580	36.3
177.01912	2.7
178.02722	26.2
179.03522	20.4
193.05061	100.0
194.05356	3.7
195.06622	22.2
229.62502	1.8
239.07248	2.1
250.06380	2.2
253.08585	1.9
265.08588	2.2
271.02448	3.1
282.09070	7.5
295.04730	2.2
300.02798	4.5
341.10275	31.0
342.10794	1.8
369.90710	2.2
389.12411	66.7
390.12811	6.3
593.18652	26.6
594.19031	3.7
875.31714	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	931.4693
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	0.7
71.52921	1.2
78.95951	0.8
87.31352	0.6
91.05531	11.4
92.07025	0.5
93.03455	3.4
95.05024	0.6
106.04253	1.4
107.05032	35.3
108.05334	1.0
121.02946	0.7
128.70103	0.6
133.02902	0.8
134.03694	1.3
135.04524	100.0
136.04858	3.1
137.02478	0.8
137.06116	0.8
142.51096	0.6
151.04100	0.7
177.02016	0.6
181.05083	2.4
183.13890	0.9
191.87405	0.6
209.04546	0.8
211.13411	13.9
212.13678	0.7
253.09447	0.8
255.23418	0.8
271.16568	0.6
277.21698	12.2
278.22131	1.2
311.16455	0.7
329.17603	1.2
373.16727	0.9
447.22202	2.8
609.25745	0.7
627.26526	1.3
707.44385	1.2
834.17664	0.7
869.47211	1.3
879.48102	0.7
887.47858	10.7
888.48730	1.5
893.86035	0.6
905.58075	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.4958
Annotation	Unknow
Peak:m/z	Relative Intensity
68.87920	1.1
69.03454	1.4
69.39317	9.9
71.01382	100.0
72.99299	5.5
73.02949	41.5
75.00880	2.5
83.01398	21.0
85.02951	29.7
87.00871	7.6
87.04509	3.1
89.02447	61.7
95.01374	6.4
95.65073	1.3
97.02935	3.6
98.66787	1.2
99.00893	8.0
101.02446	99.3
101.06079	1.9
102.02812	2.1
111.00906	1.8
113.02450	46.0
119.03508	31.5
125.02448	4.4
131.03513	7.0
136.70459	1.1
143.02562	1.7
143.03519	14.3
145.82552	1.4
149.04568	12.1
155.03537	1.6
159.02934	1.7
161.04558	35.8
178.04761	3.0
179.05606	33.9
203.05586	4.9
209.20520	1.3
221.06645	8.2
381.22858	23.1
382.22934	2.5
399.23856	63.2
400.24261	5.5
431.31085	1.6
441.24860	31.3
442.25040	3.6
839.46289	1.9
964.77759	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.4229
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03456	3.2
70.86050	2.4
71.01382	44.4
72.99302	1.6
73.02938	13.4
81.03453	1.0
82.95535	1.0
83.01386	8.7
85.02956	19.1
87.00878	4.9
88.79571	0.9
89.02453	3.7
95.01392	5.6
97.02956	4.8
99.00887	7.3
101.02438	17.0
108.02210	1.1
113.02452	14.8
115.00395	1.4
118.93520	0.9
125.02425	4.3
133.01486	1.6
137.02469	1.1
143.03500	3.7
161.04570	2.9
179.03375	1.0
204.62100	1.1
208.63750	0.9
215.11855	1.3
234.18401	1.2
241.09816	3.8
359.29645	3.0
385.31012	3.4
388.16742	1.8
422.16992	1.4
431.31671	29.3
432.31775	2.0
434.02087	1.0
485.32669	1.8
527.33844	1.2
575.35828	16.5
587.24902	2.9
593.36957	23.9
594.37354	3.4
617.37030	4.2
633.26013	3.4
635.37976	32.1
636.38379	4.6
737.41193	7.9
738.41748	1.6
755.41937	6.9
779.42200	52.2
779.56732	2.5
780.42682	9.0
797.43201	88.0
798.43591	15.9
839.44287	100.0
840.44720	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	926.4967
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01393	11.1
78.95905	14.0
80.96549	12.1
98.19901	30.4
99.92611	10.3
110.49179	7.9
110.88721	7.3
114.93446	8.0
116.92854	100.0
118.81870	7.5
184.40613	8.0
205.82385	8.8
208.85452	7.8
209.11743	16.7
226.46944	8.2
229.25328	10.9
255.23259	9.3
311.12372	8.7
557.57544	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03438	1.8
71.01382	19.8
72.99301	1.9
73.02935	7.3
83.01386	6.2
85.02946	12.4
87.00871	3.5
87.94975	1.3
89.02444	2.0
95.01394	3.9
96.96041	1.6
97.02940	3.8
99.00893	3.2
101.02456	10.3
113.02423	7.4
118.48457	1.4
125.02442	3.7
133.02965	2.3
135.04500	2.7
137.02541	1.4
143.03502	2.6
161.04527	1.7
209.04634	1.5
230.07706	2.1
241.09790	2.2
288.89691	1.9
345.15198	1.3
385.31076	4.4
431.31625	18.3
432.32056	2.5
485.32568	1.6
517.27478	1.4
568.09546	1.6
575.35944	14.4
593.37054	27.2
594.37109	2.3
595.14313	1.4
635.38062	4.4
638.24237	1.4
737.41602	3.1
755.41541	1.7
779.42255	12.1
797.43134	14.4
798.44135	3.9
839.44293	100.0
840.44556	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	924.4809
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99560	29.3
71.01384	44.3
71.68897	25.7
78.95905	50.6
79.95732	31.0
80.96512	72.8
98.19840	36.9
98.53136	24.2
112.98515	23.6
116.92847	100.0
146.38416	23.3
176.12222	26.5
176.13881	25.0
176.54945	23.3
209.11792	75.2
255.23227	80.1
256.23633	26.5
277.21713	36.2
286.63031	23.4
397.13382	47.6
533.18579	24.8
558.68927	26.2
864.48798	53.0
924.48956	85.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.4069
Annotation	Unknow
Peak:m/z	Relative Intensity
69.47635	11.5
69.48036	2.9
71.01385	40.3
72.99299	2.1
73.02950	28.9
83.01385	12.9
85.02948	16.7
87.00889	5.5
89.02435	4.6
95.01380	4.3
96.95999	2.2
97.02947	4.3
98.19921	4.6
99.00881	2.7
101.02448	38.5
109.02898	2.1
111.48107	1.7
113.02461	21.2
119.03529	4.2
125.02435	7.7
143.03516	8.3
144.45555	1.8
149.04573	4.1
161.04572	19.2
203.05592	9.0
215.27380	2.0
221.06601	18.9
263.07748	14.0
302.70145	1.9
305.08804	19.1
331.93652	2.1
429.30078	100.0
430.30432	8.9
443.31650	4.7
444.31155	2.2
515.97168	2.4
633.38782	3.2
735.43103	8.3
777.43903	11.5
795.45422	32.6
796.45288	4.2
837.46515	20.1
838.46130	3.1
839.47180	2.8
881.48718	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	924.4804
Annotation	Unknow
Peak:m/z	Relative Intensity
69.36435	44.3
69.36842	20.7
71.01382	19.5
76.04349	8.3
78.95887	13.5
78.98610	7.7
79.95724	36.7
80.96517	100.0
85.02939	9.4
94.98074	21.5
101.02459	14.8
109.06579	11.7
116.92861	11.2
122.97565	10.9
134.97578	11.8
136.42773	7.5
148.99106	11.1
152.98570	9.6
152.99644	10.2
164.98607	18.0
165.56136	7.9
166.06163	9.2
173.04033	8.2
206.99623	8.9
207.10191	21.9
225.00710	26.6
234.25917	7.6
255.23134	14.6
256.23672	11.0
311.35141	9.1
351.67072	8.0
414.75348	9.8
864.49213	11.8
924.47284	90.2
925.46088	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.375
Annotation	Unknow
Peak:m/z	Relative Intensity
66.55706	0.1
79.95728	5.0
79.96199	0.3
96.96010	78.8
122.97549	0.2
125.66573	0.1
125.67582	0.2
133.01335	0.2
135.04492	0.6
136.07689	0.2
146.44644	0.2
148.04012	0.4
150.05606	0.5
161.04848	0.2
166.08679	0.2
169.24139	0.1
172.24982	0.1
173.03529	0.4
174.04321	0.4
175.05093	0.2
177.09171	0.6
180.92503	0.1
182.74597	0.1
189.06630	0.4
190.07469	0.6
205.08702	0.7
231.07698	0.6
232.08537	0.8
244.08401	0.2
246.22838	0.1
277.10883	0.2
285.08850	0.2
286.09497	0.2
289.11133	100.0
290.11469	5.0
290.14706	0.1
304.10480	0.2
315.13507	0.3
316.51700	0.2
321.09564	0.2
398.17188	0.3
470.19394	1.6
471.19394	0.2
570.98883	0.2
633.25702	4.5
633.36230	0.2
634.26459	0.7
901.43774	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.5066
Annotation	Unknow
Peak:m/z	Relative Intensity
67.56638	1.8
71.01387	13.7
72.88885	1.6
77.27221	1.8
78.95905	4.0
85.02945	3.1
87.00866	6.1
89.02452	7.7
97.02929	8.5
98.19860	4.4
98.99483	1.7
99.00867	12.8
101.02443	7.7
109.06593	3.0
113.02444	5.4
114.10382	2.0
125.02449	7.1
125.09731	5.2
129.67316	1.6
143.03574	1.9
161.04521	2.8
163.11282	7.7
181.12346	18.7
181.67322	1.6
199.13503	2.0
207.10236	51.1
208.10585	2.2
209.11841	2.2
209.89146	1.9
215.55182	1.8
225.11301	71.8
226.11772	3.1
243.12355	33.0
255.23289	44.8
256.23477	3.5
298.56412	2.0
301.71426	1.7
309.87219	1.8
317.16013	2.9
379.12518	2.9
397.13474	7.2
409.83496	1.9
605.24591	26.4
606.24768	3.0
623.25629	21.0
703.98700	2.1
861.48517	100.0
862.48749	16.7
921.48450	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	921.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	20.2
73.02942	1.5
89.02444	1.2
89.03968	3.6
93.03438	0.4
94.87545	0.3
96.96001	0.5
97.06618	0.7
101.02431	1.5
103.28800	0.3
105.03481	0.4
105.15058	0.3
113.02448	1.1
115.00372	8.0
117.03465	19.0
118.03804	0.4
119.03522	0.4
121.02908	0.8
130.18291	0.3
133.01448	3.1
133.02950	7.6
134.03743	21.1
135.04538	17.4
136.04863	0.5
137.02452	5.3
139.04010	1.9
143.03452	0.5
145.02972	0.8
149.02386	0.5
150.03218	0.8
161.02466	2.9
161.04510	0.6
161.05959	0.5
162.03230	12.1
163.03775	0.4
177.01929	6.8
178.02705	18.2
179.03401	0.9
179.05586	0.5
187.07610	0.4
231.10196	6.2
232.10477	0.4
275.09241	100.0
276.09583	5.2
294.03763	0.9
302.82468	0.4
391.10385	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	920.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01380	9.4
73.02951	5.2
83.01381	1.4
83.06152	10.2
85.02937	4.1
86.24692	0.9
86.87098	0.9
89.02420	1.8
89.03943	1.8
98.20735	2.9
99.00886	1.3
101.02451	5.8
105.03453	30.6
108.02171	2.1
109.02948	10.2
113.02441	4.7
114.66167	0.9
121.02940	7.8
133.02954	17.5
135.04532	3.3
136.01654	2.3
137.02437	8.9
148.01646	5.7
149.02431	19.8
150.03197	1.5
150.06848	1.8
155.11984	1.0
159.02940	1.7
161.04567	3.6
162.03209	2.4
163.04033	9.5
170.03938	7.5
175.07576	1.2
177.01921	46.0
178.02574	3.1
179.10718	0.9
195.06476	1.6
203.07150	3.2
205.03236	1.4
209.02702	1.7
209.04539	16.0
210.05287	3.4
233.08090	1.7
247.07794	10.0
252.26984	1.0
275.09244	67.7
276.09570	2.9
307.11862	49.7
308.12170	3.0
317.17212	6.4
353.15698	0.9
359.18216	100.0
360.18439	8.0
403.17206	2.9
439.15363	3.7
478.21848	2.3
524.20728	3.2
585.61029	1.0
631.51630	1.1
637.94043	1.0
644.03418	1.0
671.40009	1.1
672.40009	2.6
744.50635	1.1
779.35992	1.2
789.72247	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.5305
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01400	0.9
78.95924	0.4
79.95702	1.3
88.98824	0.2
95.95300	0.5
96.96011	63.0
101.02438	0.2
109.02955	0.2
121.63364	0.2
122.03705	0.2
123.04511	1.1
133.02956	0.3
135.04465	0.3
137.02455	1.9
151.03992	2.7
152.04741	0.7
171.10214	0.5
173.06087	0.2
177.01897	0.3
181.05049	0.3
191.07104	0.3
195.02946	0.9
195.92741	0.2
196.03773	2.0
209.04521	0.5
211.13309	0.4
212.14015	0.2
225.11458	0.2
265.14767	100.0
266.15067	4.6
268.13293	0.2
277.21796	0.8
299.12854	0.2
396.27338	0.2
397.13528	0.5
849.85498	0.2
875.44672	0.9
876.45142	0.2
901.45111	0.4
919.47614	0.2
932.68536	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.4538
Annotation	Unknow
Peak:m/z	Relative Intensity
69.14869	9.9
69.15298	9.2
71.01378	33.6
73.02950	10.9
83.01385	5.2
85.02953	10.2
89.00903	1.9
89.02438	16.4
89.34911	1.7
95.01399	3.5
96.96027	5.0
99.00888	2.5
101.02444	26.0
101.73209	1.8
113.02441	16.0
116.92877	3.1
119.03491	6.5
134.03767	4.1
135.04524	5.9
143.03453	3.1
161.04553	7.5
179.05525	2.0
193.05048	3.2
195.24904	1.8
211.13342	5.7
307.11301	2.2
355.21191	2.4
373.22311	17.4
391.13184	1.8
415.23334	100.0
416.23529	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	919.4461
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01386	23.9
71.51343	9.8
78.95891	16.6
79.95713	9.2
80.96533	29.9
81.05062	7.7
87.00890	8.2
88.98829	39.2
89.02445	29.7
101.02463	20.5
109.06606	25.8
113.02435	15.5
137.02467	9.4
151.04033	12.8
161.04471	12.2
163.11261	14.4
179.05750	11.6
201.11346	34.9
207.10262	79.2
209.11780	27.0
217.16275	7.3
223.09647	9.1
225.00656	10.2
225.11284	49.7
255.23256	30.7
277.21637	60.1
379.12521	19.7
397.13535	94.9
398.13809	11.1
415.14456	20.9
568.43427	8.2
605.24677	28.0
623.25464	9.8
627.11182	8.3
654.70068	10.9
883.46655	100.0
884.47302	24.1
919.48932	44.9
920.45862	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	919.4461
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01386	23.9
71.51343	9.8
78.95891	16.6
79.95713	9.2
80.96533	29.9
81.05062	7.7
87.00890	8.2
88.98829	39.2
89.02445	29.7
101.02463	20.5
109.06606	25.8
113.02435	15.5
137.02467	9.4
151.04033	12.8
161.04471	12.2
163.11261	14.4
179.05750	11.6
201.11346	34.9
207.10262	79.2
209.11780	27.0
217.16275	7.3
223.09647	9.1
225.00656	10.2
225.11284	49.7
255.23256	30.7
277.21637	60.1
379.12521	19.7
397.13535	94.9
398.13809	11.1
415.14456	20.9
568.43427	8.2
605.24677	28.0
623.25464	9.8
627.11182	8.3
654.70068	10.9
883.46655	100.0
884.47302	24.1
919.48932	44.9
920.45862	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	919.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01357	0.4
89.95364	0.3
99.92912	0.3
134.03592	0.4
135.04515	2.5
145.02963	2.7
146.03659	0.4
149.06071	0.4
159.04494	0.7
161.07491	0.4
193.06644	0.3
194.62973	0.4
197.06039	0.6
209.08168	0.3
211.07661	0.9
223.50699	0.4
224.04706	0.4
225.05511	0.7
225.09245	0.7
235.07635	0.6
236.08168	0.4
237.09346	0.6
238.06273	0.7
239.07115	2.8
250.09563	0.3
252.07883	0.7
253.05005	1.1
253.08650	2.7
263.04596	0.4
263.06995	1.8
264.07788	1.9
265.05029	0.6
265.08664	1.3
266.05814	1.1
266.09409	0.4
267.06610	14.1
267.09576	0.5
267.43100	0.4
268.07297	1.0
279.06699	0.6
279.10080	0.6
280.07410	6.0
280.10385	0.7
281.08176	12.6
282.08768	0.9
284.10342	0.4
295.06403	0.8
295.09744	11.7
296.10489	6.4
297.07736	0.4
310.08447	1.4
311.09494	0.6
311.12958	1.4
322.08466	0.7
323.09308	1.7
324.10052	0.4
325.07162	2.9
337.10962	0.4
340.09506	35.8
341.09723	2.4
343.11880	0.4
355.11856	100.0
356.12234	6.8
444.31686	0.4
504.92590	0.4
523.00269	0.4
527.45306	0.3
533.06641	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
67.13280	0.3
69.99063	1.4
71.01383	11.4
72.99306	2.9
87.00889	0.5
89.02431	1.6
92.55798	0.3
96.84322	0.3
98.20673	0.3
107.05046	0.4
109.02995	0.7
115.00375	36.8
116.00668	0.5
117.03488	0.4
121.03020	0.6
122.03771	0.4
133.01433	100.0
134.01830	1.5
134.03758	2.6
135.04530	28.0
136.01717	0.9
136.04887	0.7
146.03758	0.8
149.02432	4.6
150.03226	3.4
151.03970	1.3
161.02457	0.4
161.06126	0.3
164.04767	1.6
165.05563	5.1
170.05916	0.3
177.01877	0.7
178.02251	0.4
179.03503	26.3
179.07074	1.4
180.03949	0.9
188.30559	0.3
195.06613	4.4
213.60324	0.3
242.48665	0.3
243.06728	0.3
251.06528	0.3
267.06644	1.1
282.09039	1.2
282.41052	0.3
295.04565	4.7
296.05066	0.4
297.08066	0.5
297.11249	3.1
312.09985	2.3
327.12354	11.6
328.12744	1.1
345.13483	2.9
357.13431	1.3
369.13397	1.0
375.14478	9.3
376.14780	0.8
387.14606	0.4
417.15558	1.2
579.20563	0.4
762.21564	0.3
918.93475	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.4881
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96240	2.7
69.03446	1.9
71.01383	11.4
71.52663	2.2
73.02974	2.1
78.95910	4.0
78.98583	8.5
79.95736	23.5
80.96514	100.0
85.02963	3.5
87.00876	3.4
88.98834	2.2
94.98087	23.3
95.01362	1.6
96.96017	3.3
97.02931	1.8
101.02435	5.9
106.98085	4.4
107.40055	1.4
113.02482	2.0
116.92863	1.8
122.97551	4.4
123.04507	2.2
125.02444	4.2
125.93207	1.3
134.97569	8.0
136.99150	3.7
137.02493	3.4
148.99139	7.9
151.04004	3.8
152.98633	8.8
152.99583	1.5
164.98656	22.6
175.06355	3.7
195.02852	1.9
196.03801	1.9
206.99657	4.3
209.04523	2.3
209.11845	4.4
211.13416	2.1
225.00740	36.8
255.23164	3.5
277.21738	6.1
278.22079	3.5
300.16019	1.9
311.16776	3.0
408.26047	1.5
537.27051	2.2
600.20789	2.2
704.44482	1.6
766.77667	1.8
856.44965	12.4
857.45361	3.3
900.47809	96.8
901.48260	18.8
918.48853	35.5
919.48309	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	917.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01384	19.1
71.21471	2.5
73.02935	4.2
83.01385	3.2
85.02961	9.2
87.00854	6.7
88.98788	4.7
89.02449	15.7
95.01359	2.4
97.02912	2.3
101.02429	14.4
107.07304	1.7
113.02454	15.8
119.03484	8.0
121.02940	2.2
125.02419	2.4
131.03488	6.2
133.06601	3.9
135.04500	5.6
136.05247	1.9
137.02412	2.0
143.03462	2.3
149.06067	3.3
151.07661	3.4
158.39972	1.9
161.04570	11.5
161.05693	1.9
165.01859	4.9
171.10223	2.0
177.01923	2.2
179.05618	18.1
197.11948	2.3
209.11812	5.2
211.13376	5.0
221.06654	25.7
238.04761	2.6
263.07709	9.2
309.20773	3.7
311.25778	3.6
313.23822	6.1
371.29050	1.8
397.13528	3.9
421.33450	10.4
429.30334	2.1
447.31064	14.5
465.32181	57.5
466.32281	5.8
479.33530	3.0
489.32129	6.7
507.33258	100.0
508.33713	14.0
519.24969	2.1
549.34204	9.3
669.38580	3.0
672.60461	2.1
711.39307	6.5
750.81677	2.1
873.47003	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	917.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
70.01553	2.9
70.01948	3.1
71.01382	14.6
72.99295	2.2
93.03478	1.9
97.60372	1.4
98.20554	2.6
99.03532	1.3
115.00382	41.8
119.05032	28.5
121.02974	6.4
122.03712	4.3
133.01431	94.2
133.03011	4.7
134.03741	41.6
137.02434	6.3
149.02438	11.0
149.06076	10.8
150.03220	31.8
163.04010	23.3
164.04807	2.5
165.05557	30.4
172.04036	1.3
177.01944	3.1
178.02711	24.8
180.04286	2.1
193.05045	100.0
194.05379	3.4
195.06616	21.0
221.06081	1.6
236.00819	1.7
246.03877	1.4
250.06435	2.4
279.05142	1.9
282.08905	8.4
297.11389	2.1
341.10303	36.7
342.10846	2.0
389.12396	74.7
390.12747	5.5
461.11221	1.3
507.83737	1.5
593.18768	24.0
594.19092	2.2
600.62000	1.5
704.12506	1.5
924.51270	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00340	1.0
65.41976	0.5
65.99118	0.4
69.73818	1.1
69.74227	2.1
83.01325	0.6
98.20631	0.9
99.05744	0.5
107.01392	1.8
108.02178	1.7
109.02953	0.6
118.40195	0.6
133.02977	0.6
135.00887	0.7
148.01685	1.6
151.00359	6.5
160.01640	0.7
161.02480	0.9
163.00354	0.7
164.01155	1.1
175.04114	0.6
178.99831	3.8
184.45680	0.6
192.90742	0.5
198.03465	0.6
199.04059	1.4
202.02721	0.6
211.04004	0.9
215.03426	1.2
216.04280	0.6
226.02655	1.6
227.03557	3.4
229.01215	0.6
242.02139	0.5
243.02940	13.0
243.05290	0.7
244.03522	0.9
245.04636	0.5
254.02211	2.8
255.02968	29.7
256.03375	1.2
271.02460	68.2
272.02924	4.6
273.03897	0.6
299.02075	4.0
300.02725	100.0
301.03271	11.4
360.44852	0.6
591.13287	0.6
723.17578	5.7
724.17609	0.6
741.18756	26.5
742.19482	2.9
755.20123	0.8
917.23401	23.4
918.23572	4.8
930.33948	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4588
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	25.1
73.02953	3.0
74.06121	2.7
78.95850	2.7
81.33086	2.3
83.05008	3.6
85.02953	5.4
86.82643	2.4
87.00888	3.8
88.98805	13.0
89.02446	18.7
97.02929	12.6
101.02432	14.1
109.06590	31.9
113.02473	9.4
116.92862	7.7
119.03477	2.9
120.54018	2.5
121.06554	2.6
125.02464	7.0
143.03432	3.0
161.04576	3.4
163.11296	16.6
179.05618	8.2
207.10266	100.0
208.10617	7.2
209.11905	3.9
219.24232	2.5
225.11328	38.7
229.61266	2.7
235.08159	5.6
249.18614	41.9
255.23494	3.7
256.23456	3.9
262.68536	3.2
277.21817	5.0
305.08450	2.9
374.48807	2.6
379.12512	9.1
397.13489	40.7
398.13602	3.1
415.14417	13.1
605.24316	8.2
623.25604	9.4
702.24841	2.8
855.43689	46.3
856.44043	9.8
915.45367	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	917.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00327	1.9
65.28076	0.8
69.33949	6.1
69.81072	0.8
71.01370	1.6
79.95734	1.7
82.66458	0.7
83.01379	1.4
88.91105	0.7
93.03442	0.8
96.12149	0.7
96.95982	1.3
98.20588	1.8
107.01395	3.3
109.02947	0.8
119.04948	1.0
121.02955	1.8
133.01454	1.2
133.02943	4.1
135.04526	4.2
151.00371	12.4
161.02417	4.7
163.03966	1.0
171.04512	0.9
177.05595	1.0
178.99919	6.0
179.03481	1.4
188.57655	0.9
193.05177	1.0
199.04037	2.1
201.02054	1.3
203.03580	1.3
215.03583	1.6
221.50360	0.7
226.02568	0.9
227.03522	5.9
243.02974	8.8
254.02200	1.9
255.02988	16.0
271.02472	82.4
272.02835	5.9
284.03217	2.5
285.04001	1.7
299.01981	100.0
299.48105	0.8
300.02719	72.7
301.03448	19.3
355.04666	0.9
368.12698	3.8
429.08450	1.6
446.08517	22.7
447.09097	3.8
457.24570	1.1
469.13577	1.2
609.14600	20.1
610.14691	1.8
725.18878	2.0
755.20404	46.3
756.20856	6.5
771.18042	32.3
772.18665	4.8
894.94745	0.9
904.51221	1.1
917.23584	24.1
918.23334	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	915.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03466	3.2
71.01381	58.3
72.99302	1.4
73.02944	100.0
74.03283	0.9
75.00860	1.4
81.03450	0.9
83.01387	28.2
84.01703	0.5
85.02950	7.0
87.00887	0.8
87.46355	0.5
87.50808	0.6
89.02443	11.8
92.69518	0.5
95.01375	2.3
97.02964	1.5
101.02441	76.3
102.02784	1.9
111.00841	0.6
113.01635	0.6
113.02443	25.9
119.03484	7.8
125.02454	3.4
131.03497	7.9
143.03494	8.6
149.04552	13.2
155.03529	2.6
161.04547	29.0
162.04898	1.0
203.05629	4.2
221.06621	10.0
630.81995	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03451	5.2
71.01381	100.0
71.52042	1.5
72.01730	1.0
72.02144	0.8
72.99314	5.0
73.02946	68.1
75.00872	3.3
81.03478	0.7
83.01388	23.1
85.02950	33.0
87.00880	3.9
89.02445	49.0
90.61387	0.7
95.01391	12.7
97.02938	1.9
99.00890	2.6
101.02443	99.2
102.02794	1.1
102.72837	0.8
113.02451	72.1
114.02794	1.2
115.00347	1.0
115.03970	0.7
119.03503	24.5
125.02457	4.1
131.03513	12.5
133.01425	1.3
135.04506	1.2
136.01656	1.0
143.03500	13.5
147.02982	1.5
149.04555	21.3
151.03925	1.4
153.15915	0.9
155.03447	2.3
161.02388	2.3
161.04547	38.7
162.04915	1.4
179.05617	10.3
203.05577	4.2
214.05582	0.9
219.96384	0.8
221.06638	12.0
247.48186	0.8
252.97067	0.7
355.22495	0.7
357.13336	1.1
371.20734	18.8
372.20908	1.5
413.21796	31.9
414.22156	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	915.4219
Annotation	Unknow
Peak:m/z	Relative Intensity
69.73402	4.7
69.87155	0.8
71.01379	37.6
73.02949	6.1
81.03390	0.8
83.01375	4.3
85.02956	8.1
87.00878	2.2
89.02435	1.8
95.01379	2.0
96.96008	2.3
97.02955	1.8
99.00856	2.5
101.02454	7.2
103.60252	0.7
112.01633	1.3
113.02436	5.9
124.01644	1.7
125.02423	2.0
126.93645	0.7
134.03728	0.9
135.04506	1.3
137.02428	1.0
143.03465	1.2
152.07216	0.8
161.04575	0.8
172.63469	0.8
181.69424	0.8
193.04973	1.8
209.11546	1.0
211.13379	2.0
329.28461	0.8
338.65479	1.0
345.27969	3.0
347.29419	2.7
419.31522	3.2
563.35767	3.0
581.36780	9.5
582.37695	1.2
623.38202	2.3
628.21765	1.0
729.61908	1.0
743.42053	1.4
785.43140	4.5
827.44330	100.0
828.44659	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	913.4442
Annotation	Unknow
Peak:m/z	Relative Intensity
64.31715	1.9
64.66578	2.0
67.25387	1.9
68.99816	3.0
70.97733	2.4
70.98062	4.0
71.01381	35.8
73.02956	7.0
78.95898	3.1
83.01384	3.5
85.02946	14.1
87.00883	5.5
88.98842	2.5
89.02454	20.9
95.01391	4.2
95.74931	2.1
96.35983	2.1
96.96003	3.2
97.02967	2.8
99.00900	2.6
101.02441	24.7
103.93703	2.3
108.47474	2.1
111.75497	1.9
113.02452	25.5
119.03528	7.1
131.03485	5.1
133.01457	4.2
134.03813	4.5
135.04491	6.3
143.03502	6.1
148.04047	6.9
149.04601	3.6
150.05605	6.8
161.02414	1.9
161.04564	22.8
174.04309	7.4
175.05042	3.2
175.06395	2.7
177.01930	2.6
178.02480	2.2
179.03816	2.8
179.05609	35.6
190.07478	8.9
200.07184	2.2
201.08037	2.4
202.08821	3.1
203.05658	4.6
221.06625	21.4
232.08478	12.9
233.09058	3.6
245.06645	3.0
263.07693	22.3
275.09207	7.1
280.93198	2.1
286.09518	3.8
289.09406	2.4
305.08856	6.4
411.32562	6.8
417.33417	2.8
421.31271	3.1
423.32599	2.3
439.31757	2.3
443.31949	9.7
454.19711	7.9
461.32684	48.7
462.32886	5.8
469.18008	2.9
485.32724	46.5
486.33084	4.9
503.33771	100.0
504.34152	12.7
545.34552	15.0
575.35632	3.1
617.26343	15.3
647.38055	15.2
665.38751	5.8
704.27136	3.7
705.26855	4.5
706.27032	8.7
707.40222	28.0
708.40924	4.5
797.31250	2.5
809.42883	7.5
825.45685	3.0
848.37195	2.7
853.45294	3.3
869.31561	2.9
869.46082	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	913.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
67.78314	1.4
70.64645	4.6
71.01375	2.3
78.06392	1.8
80.44675	1.6
82.02959	8.2
96.04587	1.4
96.96015	2.1
99.31618	1.5
101.02449	1.9
108.04572	2.6
108.08279	1.6
110.02434	1.5
112.04018	2.8
117.85401	1.8
120.04562	4.4
122.06152	2.0
122.09747	5.9
132.04604	1.7
133.02876	2.1
135.04529	2.2
137.02390	1.9
147.03256	3.2
148.04039	27.8
149.04849	7.7
150.05602	39.5
151.05969	2.0
154.05075	3.5
160.04045	4.9
161.04829	23.0
162.05536	3.3
163.02797	2.2
164.03546	11.2
164.07129	3.7
166.08698	4.5
168.06744	2.1
172.05412	2.0
173.03543	8.6
173.04849	4.7
174.01976	2.4
174.04343	30.1
174.05666	2.1
175.05103	10.8
176.03517	1.8
186.05582	6.8
187.06306	2.4
189.06680	7.9
190.05035	2.8
190.07449	30.8
190.09052	2.0
191.05920	2.2
191.08081	4.6
194.04585	12.2
200.07182	7.2
201.07919	15.7
202.08969	9.5
203.05898	3.7
214.11061	3.1
215.05981	2.6
215.08063	3.7
217.07498	1.8
217.09637	2.6
224.07106	3.6
225.13983	1.7
226.08656	3.5
228.06668	11.7
231.07764	4.8
232.08519	27.4
233.06979	2.5
233.09180	9.4
242.08244	5.7
242.10498	2.5
243.07683	7.5
243.09314	3.9
243.11328	3.2
244.08571	22.2
245.06856	8.2
245.09253	10.4
246.07693	5.4
253.13667	2.2
258.06256	2.5
267.07626	2.0
268.08545	2.4
270.07617	3.2
271.14502	9.5
279.11459	2.0
286.09680	11.8
287.07828	5.2
287.10452	6.2
289.10977	2.2
296.13943	2.3
315.13562	5.8
338.15311	1.8
347.18573	1.5
354.18033	3.5
390.18173	3.5
391.16724	2.4
398.17145	4.0
408.19449	4.0
409.17703	3.7
410.17346	2.4
413.89706	1.9
426.20230	3.2
434.17200	4.5
452.18185	17.3
453.17041	5.8
470.19434	16.1
471.19556	2.9
499.16046	5.1
519.19904	6.2
544.19287	2.6
602.23462	8.3
613.23364	2.4
614.23590	7.0
615.22992	3.5
621.26526	2.5
628.21515	3.5
632.24634	1.9
656.24622	31.5
657.23096	40.0
658.23236	4.6
665.24310	10.2
674.25592	100.0
675.25867	14.8
700.23212	8.8
851.29663	3.4
869.30908	39.2
870.31219	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	911.476
Annotation	Unknow
Peak:m/z	Relative Intensity
70.23331	2.0
71.01371	4.0
74.72414	2.0
75.41594	2.0
78.91876	3.9
80.39521	1.8
80.91686	4.3
84.55358	2.0
108.62060	1.9
115.57076	1.9
116.92853	2.9
123.51531	2.0
135.04472	3.5
159.04482	2.7
161.02519	2.2
165.07932	1.9
175.04016	2.1
175.06374	22.6
183.10333	3.5
189.05736	2.0
209.04491	2.2
219.08978	10.4
219.50359	2.0
272.12939	26.7
277.21762	5.0
290.13919	7.5
316.15540	33.1
334.16574	7.7
338.43594	2.0
376.23373	2.0
397.13550	4.1
503.46625	2.1
570.25659	3.4
630.53381	2.1
786.43591	2.9
830.31256	4.9
830.47028	100.0
831.47101	22.8
911.47089	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	911.4291
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01381	61.6
73.02959	26.8
83.01398	13.4
85.02944	34.3
87.00879	7.2
89.02466	8.7
95.01402	8.9
96.95998	6.8
97.02934	8.9
99.00871	10.8
101.02462	46.0
105.03510	6.4
109.02912	8.6
113.02454	31.2
115.00388	8.5
117.29209	5.5
125.02455	12.7
133.01428	19.9
133.02972	12.7
135.04543	17.8
136.07635	4.7
137.02490	5.3
143.03474	10.2
150.05666	4.5
159.03024	5.9
159.04527	5.0
161.04604	14.2
174.04463	8.0
177.01909	10.0
179.03505	6.9
189.06667	8.3
198.06578	4.7
203.05635	5.9
209.04616	8.0
221.06638	8.2
232.08528	5.7
241.07657	8.0
241.09926	7.3
242.08211	7.1
258.09857	6.3
310.69788	4.9
391.16602	21.8
408.19107	9.3
452.18344	7.9
571.25952	12.2
604.05957	5.4
615.24371	31.8
617.25659	11.1
635.64569	6.0
712.57739	6.2
721.41498	18.1
763.42468	20.6
781.43787	100.0
782.44122	19.0
823.44696	78.5
824.45789	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	911.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
65.99834	1.9
69.23656	14.0
71.01376	4.6
72.20856	1.3
82.02988	12.2
90.54720	1.5
96.04551	1.8
97.14297	1.4
98.20676	3.4
108.04524	2.7
109.71593	1.4
112.04035	1.8
115.00402	2.5
117.37904	1.4
120.04547	5.7
124.04021	2.6
125.71927	1.3
133.02960	2.5
134.03741	3.5
136.07645	3.3
139.02728	2.0
143.03456	1.6
147.03180	2.3
148.02946	2.2
148.04051	29.8
149.04890	7.6
150.05626	25.8
154.05064	4.5
159.05615	1.6
160.04036	9.0
161.04837	27.7
162.05602	6.9
163.02739	5.0
164.03554	11.5
170.27744	1.5
172.05276	1.5
173.03540	9.4
173.04829	2.5
174.04338	29.3
174.05655	3.4
175.05080	25.6
175.06398	15.2
177.01993	3.3
177.06700	2.7
186.05583	5.1
187.06375	11.2
188.07164	4.9
189.06670	12.8
190.07484	45.6
191.06119	1.9
191.08095	6.7
200.07156	4.2
201.07913	4.3
202.03760	1.9
202.07191	9.0
202.08824	5.1
203.04585	4.3
213.10356	3.6
214.05165	1.7
214.11018	6.9
217.07417	7.0
217.09805	4.7
219.11324	1.5
226.12360	4.8
227.09453	4.9
228.06657	4.5
230.08186	1.5
231.07689	4.2
232.08534	53.7
233.09273	20.7
241.09702	1.8
242.08266	1.6
242.10558	4.3
243.07660	6.0
243.11331	2.2
244.09711	20.4
245.07018	2.6
245.09221	10.1
247.08395	2.5
255.07703	2.2
262.09546	1.8
263.10034	1.8
268.08554	2.3
271.08469	4.7
275.09244	5.0
285.08759	1.8
286.09592	17.0
287.10425	10.8
288.08676	3.1
289.09607	10.8
293.12946	2.8
294.10031	2.3
304.10760	7.1
305.11472	10.0
318.12219	2.0
337.10675	4.1
338.11523	4.7
364.16782	2.0
378.45792	1.6
408.15457	2.2
449.15753	6.6
450.16473	5.2
464.18192	1.8
467.16934	19.5
468.17560	13.9
482.19455	13.4
483.19342	2.5
500.20435	11.7
501.20911	2.2
501.29117	1.4
503.33740	1.8
535.53979	1.4
549.20837	3.2
574.20111	1.7
617.26038	2.4
632.24719	12.8
633.24591	2.6
644.24274	2.9
645.24597	3.4
662.25336	4.2
663.26453	2.2
686.25122	10.8
687.24744	6.5
704.26721	100.0
705.26971	14.1
781.43341	1.7
795.31451	4.0
849.31769	4.4
867.32965	26.3
868.32874	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	911.321
Annotation	Unknow
Peak:m/z	Relative Intensity
65.99865	1.3
69.95062	2.9
69.95459	2.6
71.01373	3.4
72.72977	1.2
78.95820	1.1
79.95757	1.3
82.02988	13.0
85.02979	1.2
89.02462	1.6
96.04537	1.5
96.96012	36.1
98.95602	2.2
108.04556	2.0
110.79968	1.1
112.04057	3.1
113.02476	1.5
118.06640	1.2
119.07281	1.2
120.04581	3.7
124.03976	2.3
129.05583	2.7
133.02959	3.4
134.06100	1.3
135.03282	2.0
136.07660	3.7
138.05569	3.2
141.58452	1.2
147.03313	1.9
148.04042	26.3
149.04805	5.9
150.05611	26.3
154.05093	4.4
160.02843	2.0
160.03990	9.6
161.04831	34.9
162.05594	7.1
163.02769	5.5
164.03543	13.2
173.03542	6.9
173.04805	2.3
174.04323	32.1
174.05615	3.4
175.05092	28.7
175.06418	15.3
177.01952	2.3
177.06718	3.3
179.03481	1.7
186.05583	4.4
187.06377	10.3
188.07147	5.2
189.06653	14.0
190.07471	58.1
191.05917	1.6
191.08159	8.2
200.07112	5.9
201.07913	6.6
202.03790	2.7
202.07173	9.2
202.08850	4.8
203.04597	3.9
203.08272	1.9
213.10378	2.9
214.11087	11.0
215.08105	1.7
216.06783	2.0
217.07397	11.7
217.09645	3.0
226.12363	4.5
227.09431	4.3
228.06673	6.5
229.07492	2.3
231.07825	5.5
232.06197	2.8
232.08521	54.2
233.09213	19.0
234.09752	1.9
241.09735	1.3
242.08438	1.6
242.10658	4.5
243.07677	5.3
243.11360	1.9
244.08633	10.5
244.09776	18.2
245.06984	2.0
245.09291	9.8
247.08470	2.8
262.09634	3.1
263.10425	2.0
267.07462	1.3
267.15088	2.0
268.08521	5.5
269.09073	1.8
271.08484	3.9
275.09283	1.6
286.09576	18.8
287.10434	8.5
288.08560	2.4
289.09528	11.7
291.12708	8.6
292.13028	3.7
293.14435	33.1
295.10858	2.9
304.10599	6.2
305.11450	8.5
334.15775	2.1
337.10672	4.6
338.11319	3.7
345.14526	1.2
346.15381	2.4
352.16580	1.3
364.16653	1.5
407.15591	1.4
449.15823	3.6
450.16769	1.4
454.19855	2.5
464.18188	2.4
467.16925	22.1
468.17783	15.0
469.18265	1.6
482.19360	11.5
500.20462	11.9
501.61197	1.3
549.20599	3.0
574.20654	1.9
617.26379	4.9
632.24677	14.2
633.24658	2.0
644.24597	5.1
645.25171	3.5
662.25250	3.5
663.26263	4.1
672.23981	1.8
686.25336	8.9
687.24219	4.1
704.26733	100.0
705.27014	15.4
795.30463	3.5
825.32581	3.6
849.31720	5.6
867.33069	35.6
868.33447	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	911.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
66.85335	1.8
69.20430	17.3
71.01365	7.1
82.02976	11.0
85.02924	2.1
85.43944	1.8
96.96006	3.5
98.20664	4.0
101.02461	2.7
112.04029	2.6
113.02430	3.1
115.00323	1.9
120.04549	3.4
128.70143	1.5
133.01421	3.6
133.02925	4.9
134.03743	2.2
135.04478	2.6
136.07661	3.9
147.03185	4.0
148.04045	26.2
149.04755	6.9
150.05585	28.6
154.05043	3.7
160.02791	2.2
160.04018	6.1
161.04823	32.1
162.03181	2.9
162.05614	8.5
163.02713	3.8
164.03543	12.5
173.03514	7.2
173.04797	2.1
174.04317	31.1
174.05640	3.3
175.05077	29.4
175.06389	15.2
177.01932	3.5
186.05530	2.5
187.06392	11.5
188.07097	5.7
189.06685	11.9
190.07481	52.6
191.05745	1.9
191.08150	6.0
200.07074	5.0
201.07925	7.3
202.03796	2.2
202.07196	9.3
202.08980	3.3
203.08238	2.9
205.83372	1.7
213.10262	5.2
214.11183	8.8
215.08189	2.4
216.06696	4.9
217.07336	7.5
217.09677	3.0
226.12376	5.4
227.09511	4.2
228.06679	4.6
229.07384	2.0
231.07637	4.7
232.08543	51.3
233.09271	18.4
242.08240	3.2
242.10617	5.5
243.07544	4.5
244.09724	19.2
245.09235	9.9
247.08453	2.5
262.09525	2.2
267.07709	2.9
268.08511	3.5
271.08475	4.1
275.09192	7.5
286.09616	21.0
287.07635	2.0
287.10455	8.9
288.08710	3.7
289.09515	11.5
293.12994	1.8
304.10550	7.2
305.11407	10.6
337.10675	2.4
338.11258	5.0
364.16769	3.0
387.51929	2.0
449.15686	3.4
450.16513	2.4
454.19574	2.7
467.10760	2.4
467.16934	21.7
468.17593	14.4
469.18109	2.5
482.19388	9.7
485.32477	2.1
500.20294	15.2
503.33914	3.2
549.20068	4.1
617.26093	7.3
632.24475	12.2
634.04865	2.0
644.24127	5.9
645.25427	3.2
656.20282	1.8
662.25061	2.2
663.26251	2.3
686.25989	9.8
687.24561	4.6
704.26691	100.0
705.27203	12.7
762.85693	1.9
781.42877	4.5
795.30823	2.4
796.28290	1.9
823.43750	6.2
825.31854	3.4
849.32184	4.6
867.17126	1.5
867.32813	31.8
868.33026	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	911.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99559	4.1
69.25426	1.7
69.25840	5.3
70.80511	0.7
71.01384	9.0
72.99309	1.3
77.03967	1.0
85.02955	0.8
89.02444	2.5
92.68365	1.0
96.37598	0.7
101.02421	2.3
105.03444	4.5
107.04984	0.9
108.08221	1.5
109.02927	0.9
112.98565	4.5
113.02483	1.3
115.00378	16.8
121.05338	1.5
124.01701	0.9
133.01425	44.6
133.02953	27.8
134.03801	5.1
134.06126	2.9
135.04532	13.9
136.07678	18.9
137.02463	2.8
139.04005	1.6
148.11345	1.2
149.04831	1.0
150.09225	12.2
161.02501	2.3
161.04684	1.7
161.06064	2.0
161.07224	1.1
161.93744	0.8
162.05566	6.6
164.03526	1.6
164.07208	1.4
173.07195	0.8
175.08769	1.1
176.10767	5.6
177.01932	25.3
178.02686	7.6
179.03535	10.2
179.05099	1.2
179.05594	1.0
187.08775	2.1
189.10301	2.4
199.08754	4.5
200.09476	1.3
201.10284	0.8
209.04584	1.5
211.08804	1.6
213.06674	2.3
213.10191	3.9
214.07333	1.0
214.11108	2.7
215.08475	5.0
215.09975	1.3
215.11882	23.3
223.08754	2.5
225.10191	0.8
226.07310	1.2
227.12021	0.9
228.12708	1.4
233.09378	0.8
239.08244	10.1
240.08743	1.3
241.09816	100.0
242.10326	5.3
254.10539	1.1
255.11406	2.1
259.10840	20.3
260.11224	1.0
268.08499	2.7
270.59573	0.8
285.08810	9.4
286.09549	4.0
290.16663	2.4
293.03073	1.3
294.03833	1.0
295.04321	0.9
303.09845	25.0
303.17517	2.0
304.10214	1.1
318.16092	13.9
318.19763	3.9
329.15384	1.3
330.16080	3.6
331.17554	1.0
336.17102	2.1
336.20801	1.0
344.13913	3.0
344.17633	5.4
346.15253	1.5
346.19229	19.0
347.09912	0.9
347.19595	2.1
348.17194	1.4
357.14557	1.2
361.14316	1.1
362.14850	1.6
372.17148	63.8
373.17697	5.6
375.17212	4.1
390.18213	51.9
391.18494	3.8
392.19696	1.2
393.18277	1.4
408.19266	44.8
409.19476	3.5
418.17581	0.9
422.17218	18.3
423.17694	2.4
434.17191	1.8
435.17932	2.2
436.18762	9.3
437.18283	1.3
441.30063	1.5
449.19354	1.2
450.20288	0.9
454.19821	22.2
455.20187	2.5
459.30975	1.7
466.16278	12.1
467.16599	1.3
480.18021	1.5
499.23648	2.6
501.31836	1.1
571.25610	75.1
572.26050	16.6
573.26251	1.2
604.25848	1.2
615.24249	1.8
617.26160	74.3
618.26532	9.3
777.27057	1.4
797.46918	6.9
911.45410	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.4537
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01377	96.3
71.52390	6.4
73.02956	12.4
83.01399	11.5
85.02948	36.9
89.02448	47.9
96.96021	7.2
99.00857	10.7
101.02443	61.4
103.96444	6.8
108.72069	5.4
113.02458	49.8
119.03475	21.0
121.24281	5.1
121.91663	5.1
131.03528	7.4
143.03481	6.3
151.81717	5.9
161.04588	26.2
179.05574	20.2
291.18069	32.2
292.87363	5.8
314.70264	5.6
407.24139	10.0
425.25427	88.9
426.25897	7.2
443.26328	33.2
485.27499	100.0
486.27975	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	905.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03455	3.3
69.37384	1.5
69.37793	7.7
71.01383	73.5
72.01707	1.2
72.99313	3.3
73.02947	100.0
75.00867	2.1
83.01389	32.8
85.02946	10.1
87.00877	3.0
89.02445	15.1
95.01404	4.2
96.96038	1.2
97.02927	1.7
101.02443	85.7
113.02453	35.0
115.46111	1.0
119.03490	11.9
121.02950	5.8
123.04507	2.0
125.02472	3.4
131.03493	10.8
133.01442	2.1
135.04538	2.9
143.03516	12.6
145.02948	1.3
149.04561	20.9
151.00414	2.3
155.03494	3.9
161.04546	34.0
162.04912	1.6
167.79291	1.2
177.01898	2.2
177.05531	1.2
178.02563	1.2
183.10272	1.0
203.05553	4.8
221.06625	11.3
233.08209	1.7
243.02946	1.0
253.08922	1.2
255.03027	4.0
255.06723	2.0
267.06644	3.8
268.07199	1.1
269.08160	7.7
271.02539	5.7
275.09317	1.8
280.07443	1.2
281.08295	2.0
283.09634	5.6
284.03162	1.4
295.09781	2.1
299.13150	1.2
299.18597	1.7
300.02792	12.0
301.03406	8.9
307.11792	3.0
311.09265	5.6
314.10275	1.7
315.10797	1.5
325.12961	2.1
328.09421	1.8
339.25330	1.1
340.09589	6.6
343.11856	47.3
344.12173	3.2
353.10184	1.2
355.11871	19.3
356.12360	1.5
373.12894	23.5
374.13330	2.5
385.12842	2.1
415.13779	1.2
447.09259	19.0
448.09784	2.0
716.97858	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.287
Annotation	Unknow
Peak:m/z	Relative Intensity
65.84097	0.6
69.23088	4.4
69.23512	2.3
115.73767	0.7
135.04550	4.1
137.02487	0.7
145.02971	3.4
149.06050	0.9
225.09143	0.7
235.19769	0.7
238.06398	1.1
239.07117	2.4
253.05165	0.8
253.08704	2.9
262.06750	0.7
263.07132	2.1
264.07901	1.6
265.08609	1.5
266.05844	1.0
267.06589	12.4
268.07056	1.4
269.31940	0.6
279.10373	1.1
280.07364	6.4
281.08167	14.0
282.08713	2.2
293.39740	0.7
295.09741	11.3
296.07297	0.9
296.10406	5.8
310.08524	1.2
311.09604	1.3
311.12851	1.6
312.10135	1.2
323.09143	1.2
325.07175	2.1
329.13623	0.7
340.09500	32.0
341.10010	5.2
341.14114	2.0
355.11871	100.0
356.12247	9.4
789.64264	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.4382
Annotation	Unknow
Peak:m/z	Relative Intensity
67.11396	0.3
67.67432	0.2
70.82327	0.6
70.82658	0.3
71.01379	0.7
77.19287	0.3
79.05537	0.6
79.95733	0.3
80.96516	0.5
85.01630	0.2
89.02476	0.5
89.03972	0.3
91.05536	10.5
93.03462	3.5
95.05043	0.4
97.02947	0.3
101.02444	0.5
105.03455	0.8
106.04224	0.6
107.05032	31.4
108.05371	0.9
109.02965	0.6
121.02956	1.2
124.01627	0.7
125.02468	0.4
130.30992	0.3
133.03012	0.6
133.86255	0.3
134.03758	1.0
134.41626	0.3
135.04526	100.0
136.04820	3.5
137.02434	1.3
137.06030	0.4
149.02428	0.3
150.03247	0.3
151.03976	0.9
161.02417	0.4
163.00392	0.3
164.01117	0.4
176.04781	0.5
177.01935	1.4
181.05119	1.6
183.10301	1.0
183.13878	1.0
185.06013	0.4
187.03979	0.3
203.07008	0.3
209.04497	2.1
211.13390	14.8
212.13820	0.6
235.08336	0.4
249.18585	7.1
250.18985	0.5
253.09305	1.0
273.15027	0.5
277.21683	1.9
283.13528	0.5
301.14502	0.7
301.18195	0.7
311.16605	1.0
313.14267	0.3
329.17636	1.1
345.17267	0.5
347.18967	0.4
373.16568	0.9
429.21021	0.5
447.22195	2.9
518.24146	0.3
609.25067	0.5
627.26282	1.8
679.40924	1.4
841.44196	1.5
859.44867	12.5
860.45361	1.9
871.42029	0.5
885.45056	0.4
903.46075	0.5
922.50958	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.4383
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	11.2
75.00880	1.8
81.03452	2.3
85.02967	2.9
87.00883	2.2
89.02456	8.2
91.05536	3.6
95.01385	2.0
95.54616	1.7
96.96023	2.3
101.02434	5.8
105.03452	6.5
107.05012	6.1
109.02918	2.7
113.02443	2.7
124.01605	2.2
125.02457	2.6
130.58073	2.1
133.02933	5.7
135.04526	81.2
137.02417	2.8
146.03754	5.7
151.03967	2.2
159.04536	6.9
160.05299	3.8
161.06090	7.0
172.05269	3.3
174.03075	2.5
176.04793	15.9
177.01923	9.2
183.10225	2.1
186.06882	2.2
187.03986	6.3
188.04713	4.1
201.11339	21.5
204.07886	4.6
209.04500	6.9
209.11824	25.6
211.13390	10.9
227.12794	3.9
229.13011	2.3
249.18608	4.4
269.11795	2.0
269.15353	2.5
273.14920	2.9
276.10202	1.9
277.21695	17.7
278.22110	3.9
283.13477	10.0
283.16302	2.6
285.14932	8.5
293.15628	2.3
295.13327	5.0
301.14407	9.7
301.17816	3.7
303.15900	2.6
311.16614	14.5
312.16913	2.2
313.14441	13.2
329.17575	28.0
330.17999	2.5
331.15668	3.1
347.18280	3.9
355.15390	6.2
373.16525	20.1
379.12454	3.3
391.17596	5.7
397.13440	13.3
415.14648	2.5
509.01990	1.8
583.28131	3.1
609.25104	4.0
627.26477	29.4
628.26691	3.3
649.23346	3.5
732.90802	2.5
815.45605	4.1
841.43060	3.9
859.44794	100.0
860.45050	20.5
903.43671	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	903.257
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00304	0.5
69.24067	3.7
69.24482	1.1
71.01380	15.2
72.99303	1.9
89.02453	1.7
93.03460	1.1
98.19860	0.9
107.01415	0.6
109.02959	3.5
113.87753	0.5
115.00375	38.0
116.00703	0.6
119.05033	39.9
120.05326	0.7
121.02963	1.2
133.01433	100.0
134.01814	1.2
135.04503	0.6
136.01668	4.2
151.00363	1.4
151.04007	5.8
161.02469	1.2
163.04012	48.2
164.04399	1.5
178.99861	1.7
189.05582	0.6
190.06305	0.7
191.07126	1.2
193.05061	0.5
195.06683	0.8
227.03592	1.3
243.02975	3.4
254.02203	0.7
255.02985	7.6
267.06616	8.7
271.02484	17.6
272.02975	0.8
279.04916	4.3
282.08990	7.6
294.08893	0.7
297.11322	22.6
298.11624	1.6
299.02017	0.9
300.02753	27.7
301.03384	3.5
307.11969	0.5
312.10059	1.3
327.12378	9.9
328.12772	0.8
345.13431	14.5
346.13837	1.1
357.13397	5.4
375.14468	26.1
376.14877	2.1
531.81030	0.6
579.20898	1.0
741.18744	13.5
742.19238	2.1
903.21942	5.1
904.22687	1.3
939.37354	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01381	11.2
71.52221	0.3
72.99304	1.8
75.70105	0.3
75.83747	0.3
81.09830	0.3
83.77828	0.3
87.00884	0.6
89.02442	1.1
97.33126	0.3
115.00369	33.3
116.00726	0.5
119.05024	23.2
120.05363	0.8
121.02946	0.4
133.01427	100.0
134.01730	1.6
136.05360	0.3
146.03703	0.5
149.02411	2.9
149.68031	0.3
150.03204	2.5
154.78090	0.3
163.04002	30.4
164.04651	1.6
165.05573	3.6
179.07190	1.4
180.04276	0.4
186.54306	0.3
195.06633	4.2
243.02803	0.4
255.03026	1.1
271.02417	2.4
279.05042	3.9
292.69821	0.3
299.01892	0.5
300.02780	3.6
301.03238	0.4
312.09979	2.0
327.12354	8.7
328.12827	0.6
345.13480	0.4
355.66373	0.3
375.14413	4.7
417.15356	0.4
741.18658	1.8
903.22339	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02409	0.5
65.00327	1.1
71.01376	1.2
73.02934	0.9
83.01378	1.1
87.04501	0.6
89.06068	1.0
106.06586	0.8
107.01423	2.2
108.02162	1.3
109.02959	0.7
115.00369	0.6
121.02954	1.8
125.02416	0.7
133.01462	0.8
133.02957	2.9
135.00861	0.9
135.04512	2.0
148.01695	1.1
150.05527	0.7
151.00362	7.2
161.02455	6.0
163.00369	1.1
164.01143	1.0
178.99855	4.9
199.04056	0.9
211.03969	0.7
215.03465	0.8
216.04253	0.7
226.02766	1.5
227.03429	3.0
237.07674	1.9
243.02963	10.0
254.02167	2.1
255.02963	26.2
256.03342	1.6
260.49890	0.6
271.02460	53.3
272.02869	4.1
273.03943	0.7
299.02063	3.9
300.02737	100.0
301.03314	13.1
320.58075	0.5
343.04672	0.6
390.03659	0.7
418.06915	0.6
458.26093	0.5
505.09634	0.7
601.04169	0.5
677.25647	0.5
697.84253	0.6
741.18762	43.2
742.19153	5.2
903.21997	18.6
903.40216	0.9
904.21973	4.0
909.52917	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02390	0.9
64.63963	0.3
65.00323	1.3
83.01389	0.8
107.01375	2.1
108.02184	1.5
109.02977	0.4
113.29006	0.4
121.02959	0.9
132.02092	0.4
133.02957	3.1
134.03712	0.3
135.00903	0.9
135.04533	1.0
147.00992	0.5
148.01672	1.3
151.00360	7.6
161.02428	5.4
162.02840	0.4
163.00360	0.9
164.01096	1.0
178.99870	5.2
179.03381	0.4
186.82245	0.4
187.03992	0.4
199.03998	0.7
200.04535	0.4
203.03497	0.4
215.03456	1.2
215.05542	0.4
216.04312	1.0
226.02599	1.6
227.03453	2.4
228.04036	0.7
243.02975	11.7
244.03481	1.2
254.02199	2.2
255.02969	29.4
256.03326	1.7
271.02466	63.2
272.02957	5.9
299.02005	2.8
300.02734	100.0
301.03275	13.4
302.03888	0.6
343.04367	0.4
409.22339	0.4
426.41470	0.4
661.47791	0.4
723.18597	0.9
741.18793	49.5
742.19232	9.1
903.21912	17.0
904.21942	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	903.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02404	0.6
64.45029	0.5
65.00321	1.0
66.50859	0.4
71.01396	0.8
71.51863	0.7
71.87539	0.5
73.02943	0.5
83.01409	1.0
87.04537	0.5
89.06094	0.9
101.02454	0.7
106.06673	0.7
107.01407	2.1
108.02184	1.7
109.02934	0.6
121.02947	1.3
127.84717	0.4
133.02975	3.2
135.00908	0.8
135.04524	1.9
148.01634	1.1
151.00380	7.2
152.00893	0.5
161.02452	6.3
163.00360	1.0
178.99857	4.7
179.03474	0.8
183.04509	0.6
183.98705	0.4
189.01993	0.4
195.02963	0.5
199.04036	1.1
211.04121	0.4
215.03447	0.8
226.02705	1.7
227.03506	2.9
237.07677	1.4
243.02977	10.1
244.03470	0.7
251.66199	0.5
254.02188	2.5
255.02983	24.3
256.03442	1.1
259.45300	0.5
271.02466	54.8
272.02924	4.5
273.03616	0.6
283.02338	0.6
297.37924	0.5
299.01981	2.5
300.02737	100.0
301.03336	14.5
302.04205	0.5
389.05701	0.5
418.07083	0.6
723.17249	0.9
741.18805	47.3
742.19055	6.5
743.17975	0.6
799.59723	0.5
859.24390	0.6
903.21967	19.8
904.22101	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	901.4797
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	2.9
70.61840	2.1
71.01378	22.4
71.05016	3.4
71.51697	3.2
73.02957	4.6
73.35579	2.7
79.95738	2.1
80.96524	2.7
83.01377	3.4
85.02930	2.8
87.00864	4.8
88.98808	3.2
89.02445	13.6
97.02949	4.5
97.06579	3.8
99.00872	12.2
101.02441	12.3
113.02479	6.9
116.92857	3.6
119.03532	3.2
125.09698	7.3
135.04558	4.0
159.04538	3.6
163.11253	5.4
171.10240	13.0
172.05298	11.0
181.12321	8.8
185.06065	2.9
187.04082	3.4
199.13348	7.2
201.05544	9.6
202.06299	8.8
204.04129	3.3
207.10240	28.9
221.00392	2.7
225.09251	3.3
225.11299	36.5
243.12373	11.8
255.10239	63.2
255.23340	2.5
256.10730	4.0
273.11359	6.8
277.21747	56.5
278.21997	3.2
281.11819	5.0
299.09210	23.7
299.12836	23.0
317.10291	3.0
317.13782	3.7
397.13416	16.1
415.14496	2.9
553.22888	5.1
605.24237	4.1
813.43298	52.4
814.44196	11.1
857.42957	16.8
858.43036	5.8
883.47009	14.3
884.47363	2.8
901.47852	100.0
902.47992	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02396	0.9
65.00327	1.2
65.20033	0.4
70.39352	0.7
70.39706	0.7
72.70062	0.4
76.05427	0.5
83.01387	0.9
93.03514	0.4
96.96025	0.5
98.20018	0.5
98.93919	0.4
107.01398	1.8
129.34366	0.4
132.02167	4.6
133.01471	0.6
133.02960	1.1
134.03752	2.0
135.00902	1.0
135.04533	1.0
135.06602	0.4
151.00374	4.6
152.01057	0.4
152.19525	0.4
159.04520	0.6
160.01659	8.7
161.02443	3.7
163.00414	1.2
164.01122	0.9
169.01355	0.5
171.04605	0.6
175.04010	5.3
178.99817	1.3
179.03627	0.6
183.04544	1.1
185.06050	0.6
187.04021	1.1
193.05106	0.6
199.04131	0.7
200.04887	0.6
211.03954	2.4
212.04802	0.9
213.05478	0.5
227.03490	44.0
228.03935	2.5
229.05013	1.3
239.03464	0.9
255.02980	87.7
256.03568	9.4
257.04578	2.3
276.69922	0.5
281.04660	0.6
283.02417	4.3
284.03253	100.0
285.03891	17.3
286.04382	0.7
298.04773	1.2
299.05682	1.0
307.11877	0.6
326.04559	0.5
327.05301	0.5
339.05081	0.4
363.58337	0.4
575.13910	1.2
578.84540	0.5
593.15643	0.6
707.18451	5.8
708.18140	0.6
725.19360	9.7
726.20074	0.9
734.23920	0.4
739.20398	1.1
810.59937	0.5
901.24066	43.2
902.24329	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	901.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02407	1.0
63.06213	0.4
65.00343	1.6
69.66537	3.1
83.01413	1.1
107.01413	2.8
109.02987	0.6
117.03441	1.1
119.05019	0.8
121.02959	0.9
133.02930	2.0
135.00914	0.8
135.04555	1.0
145.02939	1.9
148.01692	0.6
151.00371	11.9
152.00917	0.6
161.02466	2.8
161.06117	0.6
163.00325	0.8
163.03929	1.1
171.04570	1.0
175.04027	0.8
178.99872	5.4
187.03966	0.8
199.03975	3.8
201.01817	0.8
203.03426	0.5
211.03993	0.6
213.23700	0.5
213.63861	0.5
215.03459	1.5
226.02768	0.9
227.03476	6.0
243.02966	6.3
244.03502	0.8
254.02202	0.5
255.02985	14.2
256.03461	1.8
257.04489	0.7
271.02472	79.3
272.02890	6.0
277.10748	0.8
283.02570	2.2
284.03204	5.9
285.03998	2.5
299.01968	100.0
300.02713	53.5
301.03458	13.7
429.08264	0.8
446.08539	18.9
447.09030	3.3
593.15265	1.6
609.14551	12.7
610.14935	1.2
755.18848	60.0
755.94946	0.6
756.19220	9.4
901.23999	27.6
902.24457	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	900.4793
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96233	1.9
69.03457	1.2
71.01384	11.3
73.02942	1.6
78.95911	4.1
78.98598	6.5
79.95737	22.0
80.96518	84.6
81.03460	1.0
85.02941	3.3
87.00877	3.3
88.98792	1.0
94.98082	18.4
96.96009	1.8
96.96949	1.2
97.02985	1.2
101.02447	3.7
104.02682	5.7
106.98086	2.9
115.11616	1.0
116.92865	4.5
122.97574	4.0
125.02447	3.1
127.03934	0.9
134.97588	5.5
136.99147	2.0
141.72417	0.8
148.01666	4.4
148.99139	6.4
152.07033	1.0
152.98596	6.5
152.99632	1.3
164.98630	13.7
176.01096	1.4
177.01665	1.3
181.06400	0.9
188.98799	0.9
206.99657	3.1
211.13406	2.3
220.00121	16.6
221.00452	4.6
224.98660	1.5
225.00745	19.8
241.01093	1.0
255.23332	2.7
283.04913	1.5
355.07028	1.3
426.18988	1.0
483.43698	1.2
497.17194	1.1
537.27625	1.1
623.30975	1.2
644.23932	1.2
748.39453	2.5
900.47797	100.0
901.47791	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	900.478
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96238	1.4
65.79808	1.2
65.80151	1.4
71.01376	10.7
73.02946	2.4
75.00841	1.4
78.95896	2.8
78.98598	7.5
79.95734	21.6
80.96517	79.8
85.02941	4.4
87.00875	4.5
88.98811	2.9
89.02426	1.3
94.98093	18.7
96.96001	1.8
97.02947	2.1
98.19910	2.5
101.02441	3.4
106.98118	3.9
115.00304	1.5
122.97576	3.4
125.02431	4.4
134.97574	7.4
136.99124	2.7
140.80371	1.2
148.99159	7.8
152.98608	7.8
160.22433	1.4
164.98618	17.9
175.06398	4.8
176.01086	1.5
206.99675	2.9
219.09171	1.3
220.00169	2.2
224.98656	2.3
225.00746	29.6
255.23265	2.7
274.48679	1.3
277.21774	2.8
283.05002	1.4
285.87335	1.4
300.16113	2.2
405.06122	1.4
462.63593	1.3
537.27130	2.0
600.20929	1.6
726.95197	1.2
734.41791	1.7
856.45313	16.4
857.45630	3.7
900.47858	100.0
901.48151	18.0
908.32745	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4645
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	24.2
73.02945	9.1
77.46419	1.7
83.01382	7.8
85.02954	14.8
89.02431	5.2
95.01405	1.9
96.95991	3.0
99.00885	4.6
101.02442	18.9
101.03438	1.8
113.02443	11.0
117.70776	1.5
125.02473	2.2
129.45161	1.6
161.04454	2.5
177.01868	2.3
179.52774	1.8
210.13960	1.6
211.13451	1.9
251.78439	1.7
256.22977	1.7
323.47922	1.8
381.53940	1.8
429.61111	1.8
693.41547	2.1
855.47443	100.0
856.47375	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4648
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03448	0.3
71.01379	23.3
71.51777	0.5
72.99305	1.7
73.02940	3.9
75.00866	0.4
80.43143	0.3
81.03453	0.4
83.01382	2.5
85.02456	0.6
85.02948	8.4
86.00090	0.4
87.00874	3.3
89.02441	18.5
90.02789	0.3
95.01388	2.2
96.95966	0.5
97.02924	0.9
99.00883	1.2
101.02438	19.2
102.02808	0.4
103.69762	0.3
105.03459	0.5
113.02446	17.8
114.02706	0.3
115.00352	0.4
119.03496	8.5
125.02453	1.2
131.03497	4.2
133.02972	0.5
135.04497	0.9
143.02588	0.3
143.03505	3.9
149.04538	0.6
159.02930	1.1
161.04547	13.2
161.05890	0.6
162.04929	0.4
175.76443	0.3
177.01982	0.5
179.05603	29.6
180.05940	0.9
193.05013	0.3
203.05539	0.7
209.04427	0.7
210.01346	0.3
221.06647	15.5
222.07068	0.3
260.26074	0.4
263.07700	21.7
264.08041	0.7
281.08914	0.6
305.08801	0.5
365.10770	0.8
383.11896	0.9
447.34781	0.7
471.30991	0.6
489.35840	100.0
490.36188	12.9
503.37387	1.2
531.36847	5.2
532.37225	0.7
561.37793	1.0
599.95197	0.4
617.26013	0.4
651.40967	0.8
677.42938	0.4
693.42279	2.2
781.30414	0.5
855.46973	2.9
856.47449	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4644
Annotation	Unknow
Peak:m/z	Relative Intensity
69.53378	2.6
71.01377	21.7
72.99304	1.2
73.02942	4.8
83.01389	2.0
85.02944	8.4
86.00069	1.1
87.00871	2.7
87.40717	0.5
89.02446	17.8
90.32063	0.6
90.44666	0.5
93.33136	0.5
95.01382	2.6
97.02944	0.5
99.00849	1.6
101.02441	17.4
113.02446	15.2
117.75836	0.5
119.03498	9.1
120.92304	0.6
124.84056	0.5
125.02446	1.4
131.03482	4.2
133.02928	0.6
135.04437	0.6
143.03494	3.9
149.04524	0.9
161.04552	12.3
177.01865	0.5
179.05597	29.2
180.06013	0.8
203.05598	1.0
209.04453	0.8
221.06642	13.6
263.07678	20.8
264.08084	1.0
281.08865	1.1
365.10910	0.7
489.35843	100.0
490.36218	13.9
503.37500	1.8
507.67725	0.6
531.36938	4.6
532.37122	0.5
534.45044	0.6
561.37616	0.6
693.42090	1.8
822.97791	0.6
855.46844	3.3
856.48645	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4645
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99815	0.6
69.03459	5.1
70.08458	1.2
70.08853	0.9
71.01381	16.4
71.05016	1.6
72.99307	2.3
73.02941	2.1
75.00912	0.8
78.95925	0.5
81.03470	0.8
83.01382	1.8
83.05017	0.7
85.02950	2.9
87.00868	2.9
88.98811	0.8
89.02446	9.9
89.07416	0.5
95.01375	1.1
95.05017	0.5
97.02940	1.8
97.06608	0.6
99.00887	0.8
101.02441	9.6
104.02687	1.9
104.43849	0.6
108.59278	0.5
111.04531	0.9
113.02455	4.5
116.92846	0.9
119.03500	1.9
121.02919	0.5
123.08145	1.2
125.02444	2.2
125.09725	2.3
131.03455	0.6
141.01990	0.6
143.03450	1.6
143.04524	0.6
148.01637	1.5
149.09735	0.5
151.11285	1.7
153.12852	1.3
161.04565	1.4
161.09724	2.5
169.12260	0.9
176.01167	0.7
179.05666	0.8
179.10783	4.9
184.92567	0.5
190.02652	0.6
197.11824	61.4
198.12218	2.6
201.01897	1.0
205.08788	0.7
215.03458	0.9
216.04167	0.6
220.00134	4.0
221.06668	1.7
223.09760	1.8
235.08340	0.5
241.10767	3.3
265.85455	0.5
277.21704	22.0
278.22110	1.6
301.35748	0.6
341.13828	1.0
369.13223	0.8
393.80591	0.5
397.13522	3.8
415.14560	1.3
433.24857	0.5
639.25189	1.0
881.46234	0.6
899.46484	100.0
900.46771	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	899.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03456	1.7
69.90690	3.5
69.91079	3.3
71.01379	50.7
72.01725	1.5
72.99318	2.4
73.02951	15.6
81.03448	1.9
83.01389	7.7
83.05013	1.7
84.02195	1.5
85.02946	26.2
87.00882	2.7
89.02451	14.1
93.03468	4.8
94.95164	1.3
95.01380	5.1
97.02940	4.7
98.20588	1.2
99.00885	5.6
101.02442	36.8
111.00896	2.6
111.04534	3.0
113.02447	21.2
119.03484	4.9
120.31079	1.5
121.02912	3.4
122.22206	1.4
125.02457	4.4
131.03462	2.4
143.03481	3.6
143.15770	1.5
149.06108	2.5
155.92848	1.3
159.02989	3.2
161.04552	13.6
179.05602	3.5
221.06586	3.4
227.39197	1.4
263.07745	1.4
323.09836	7.2
515.30133	8.7
677.35394	15.4
678.35834	3.2
839.40613	100.0
840.40967	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4647
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03456	4.5
69.38606	2.4
69.39024	1.0
71.01382	14.3
71.04990	0.8
72.99297	2.0
73.02958	1.6
78.95885	1.4
79.95734	0.7
80.96533	2.3
81.03450	0.8
83.01371	1.4
85.02953	2.9
87.00871	2.7
88.98795	2.0
89.02448	8.8
94.98145	0.6
95.01363	1.4
96.96022	0.7
97.02946	2.2
97.06595	1.1
99.00895	1.1
101.02457	7.9
104.02637	0.6
109.06546	0.5
113.02451	3.9
116.92770	0.4
119.03510	2.1
123.08148	1.4
125.02457	2.1
125.09764	2.6
137.09631	0.5
143.03485	0.6
151.11276	1.7
153.12860	0.8
161.04538	0.7
161.09706	2.7
164.98674	0.5
169.12364	0.8
175.06374	0.8
179.05669	0.7
179.10767	5.5
197.11826	33.8
198.12129	1.3
219.08759	0.5
220.00117	1.6
221.06670	1.1
223.09708	1.3
235.08205	1.0
235.88617	0.6
241.10777	2.7
244.06314	0.4
253.09386	0.6
275.20135	0.6
277.21725	30.7
278.22058	2.2
397.13382	2.4
415.14447	1.1
448.53870	0.5
453.23596	0.5
497.46292	0.6
506.29926	0.5
530.30060	0.5
856.45129	1.1
881.45770	0.7
899.46460	100.0
900.46857	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	899.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03442	3.4
69.93452	1.3
71.01379	86.7
72.99294	5.7
73.02551	2.4
73.02946	30.4
81.03473	4.3
83.01385	12.1
83.05027	3.7
84.02167	2.0
85.02951	39.4
85.54330	1.4
87.00864	5.6
89.02444	26.1
93.03434	1.2
95.01361	6.8
96.96005	1.4
97.02933	5.5
99.00878	8.9
101.02440	59.8
105.03371	1.5
111.04499	4.1
113.02454	35.7
119.03517	9.0
125.02448	8.3
129.01974	1.6
131.03455	3.1
135.04489	2.8
143.03477	6.2
149.04575	2.6
159.03032	2.1
161.04552	29.3
172.62375	1.4
179.05598	4.5
203.05621	2.2
209.04434	2.1
221.06566	5.7
233.06540	2.1
245.06676	1.6
263.07639	4.4
305.08905	6.4
319.14127	1.6
323.09836	6.3
471.30502	1.8
489.36060	23.2
490.36053	2.6
515.30109	7.2
531.36749	2.0
583.01599	1.7
604.34290	1.7
633.40027	17.9
634.40070	4.1
651.40955	13.2
652.41266	2.6
675.41302	3.9
677.35388	25.1
678.35547	4.5
693.42114	66.5
694.42694	10.7
735.42841	4.6
758.48389	1.7
799.68304	1.6
839.40607	100.0
840.41095	21.0
842.63190	1.8
855.45911	3.3
870.40021	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
63.79649	0.9
69.03466	9.0
70.09333	3.7
71.01380	71.8
72.99300	4.3
73.02943	11.2
75.00865	3.1
81.03446	4.1
83.01394	5.2
84.18896	1.0
85.02956	9.7
86.20151	1.1
87.00874	1.5
89.02446	74.0
95.01382	2.4
97.02958	11.7
99.00881	18.6
99.04517	2.1
101.02448	14.6
109.02932	1.0
111.00892	1.6
113.02448	8.4
115.04026	8.4
119.03493	2.1
121.02959	1.9
125.02451	48.4
126.02740	1.3
127.04012	2.2
130.73123	1.0
131.03516	11.6
136.01663	40.6
137.02481	0.9
143.03488	3.7
149.04558	15.5
151.04007	41.0
152.04333	1.1
161.04521	2.6
191.05606	10.8
233.06645	35.2
234.06952	1.1
275.07706	7.2
293.08774	100.0
294.09061	4.3
300.15967	4.0
301.16351	1.8
335.09790	10.7
342.11005	2.2
357.13440	28.9
358.13843	1.9
477.82767	1.0
519.18622	2.0
633.21942	6.6
634.21753	1.3
651.22888	17.2
652.23004	2.5
693.23724	4.0
901.70209	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.5067
Annotation	Unknow
Peak:m/z	Relative Intensity
67.82121	1.9
70.57393	1.9
71.01383	100.0
71.52811	2.7
72.01710	2.1
72.99291	2.9
73.02956	3.9
78.95908	4.2
80.96518	2.8
81.03455	2.1
83.01411	3.9
83.05058	2.1
84.32193	2.0
85.02959	6.0
85.16016	1.7
87.00881	7.1
87.64413	1.8
88.98795	1.9
89.02448	15.4
97.02961	5.1
99.00877	2.1
101.02464	16.7
109.06618	4.2
113.02471	11.3
119.03506	5.7
121.02982	4.0
124.20252	2.4
125.02441	4.9
125.09693	2.3
127.11327	3.1
143.03481	2.8
155.10764	2.1
161.04541	4.4
163.11336	4.0
171.10277	61.5
172.10628	2.7
179.05603	6.3
192.73903	2.0
199.09790	10.7
199.13368	2.3
201.11334	16.2
207.10201	19.7
221.06776	2.7
221.11864	2.6
225.11331	12.8
227.60083	2.1
235.08192	5.9
243.12341	3.3
255.23286	55.0
256.23755	4.7
256.62592	2.0
287.07831	2.6
379.12308	6.9
397.08450	2.2
397.13562	32.8
415.14462	4.7
543.45691	1.9
597.23889	2.4
605.24139	3.5
861.48218	10.1
862.49646	2.6
897.50781	11.6
902.03131	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.5069
Annotation	Unknow
Peak:m/z	Relative Intensity
63.86368	1.4
66.44501	1.5
69.03457	2.2
69.89034	4.5
69.89425	2.6
71.01383	100.0
72.99313	3.1
73.02948	5.3
75.00874	1.5
75.30488	1.3
81.03450	1.9
83.01387	2.8
83.05038	1.6
85.02953	6.5
87.00866	6.4
87.16708	1.5
88.98814	3.8
89.02444	22.0
95.01382	2.8
97.02952	5.9
98.19954	1.7
99.00866	4.0
101.02444	20.0
106.60119	1.4
108.16461	1.7
109.06605	8.8
113.02445	11.3
119.03508	5.0
125.02482	8.7
125.09714	4.7
127.11318	3.0
131.03487	1.7
143.03468	2.7
154.46217	1.5
161.04536	2.4
163.11275	5.2
171.10271	69.4
172.10611	1.6
179.05594	5.2
181.12405	2.4
185.11855	1.7
199.09758	13.2
201.11324	23.8
204.39404	1.4
207.10275	23.4
208.10515	1.6
209.12038	1.6
215.12993	2.0
221.06653	2.6
225.11307	19.1
235.08205	5.9
243.12334	4.5
255.23291	59.2
256.23688	5.6
277.21780	2.3
287.07584	2.4
353.81412	1.5
379.12445	7.5
397.13458	31.9
415.14606	9.4
447.35681	1.7
497.21555	1.7
579.22638	2.3
597.23938	2.7
604.63605	1.5
605.23938	2.1
623.25494	4.6
634.60449	1.6
647.30060	1.8
720.39459	1.9
835.46375	3.9
861.48376	10.4
862.48865	2.3
879.48962	3.4
897.50745	18.3
898.50012	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	897.4494
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03465	1.5
70.44952	3.2
71.01378	27.5
72.60548	1.1
72.99307	2.0
73.02949	21.6
75.00852	1.1
78.95910	1.5
83.01386	8.3
85.02966	6.9
85.83378	0.9
87.00867	2.9
89.02457	5.5
95.01376	2.0
96.96005	4.8
97.02981	2.0
99.00871	2.4
101.02444	28.7
107.05017	2.2
109.02926	1.0
113.02459	13.3
115.92085	1.3
119.03472	2.0
125.02447	3.9
131.03491	4.5
133.02943	1.3
135.04488	5.2
143.03519	5.0
149.04567	4.4
155.03459	1.5
155.41634	0.9
158.77478	1.1
161.04565	15.6
179.05624	2.2
203.05649	7.9
211.13475	1.6
221.06671	22.6
222.06989	1.3
263.07739	15.0
305.08777	31.6
370.72458	1.1
383.11679	2.6
425.34323	1.8
443.35413	1.9
469.01526	1.3
469.32990	7.7
487.34290	100.0
488.34616	14.7
501.35992	2.9
529.35266	38.2
530.35815	4.6
571.36267	1.5
631.37982	5.5
649.39301	6.3
673.39349	1.3
691.40790	6.3
733.41620	28.9
734.42145	6.4
756.56342	1.1
795.43768	1.3
796.39740	1.2
853.45807	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	897.4492
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03445	0.7
71.01381	23.3
72.99299	1.4
73.02955	4.4
83.01392	2.7
85.02953	8.8
87.00889	3.2
89.02444	17.8
95.01366	1.8
95.27271	0.4
96.96007	0.5
97.02923	0.7
99.00849	1.4
101.02447	15.1
107.05014	0.8
113.02455	19.2
119.03497	7.9
124.12131	0.5
125.02433	1.7
131.03500	5.1
135.04501	1.5
143.03503	4.5
149.04558	0.8
159.02966	0.9
161.04558	12.8
179.05614	34.2
180.06050	1.0
186.43892	0.4
200.60114	0.4
203.05672	0.7
211.13493	0.9
221.06660	17.3
222.07034	0.8
229.12183	0.5
243.33499	0.4
263.07730	24.7
264.08075	1.2
281.08774	0.9
291.17673	0.5
305.08597	0.5
365.10928	1.0
383.11639	0.5
425.34412	0.8
443.34790	0.6
469.33276	5.5
470.33429	0.8
487.34277	100.0
488.34601	13.0
501.35699	0.9
529.35303	17.0
530.35938	2.9
559.36499	3.7
560.36694	0.6
589.37708	1.2
631.38776	0.6
691.40619	16.7
692.41046	3.1
853.45538	3.2
854.45233	0.7
897.46588	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.4693
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03439	1.6
71.01379	21.2
72.99310	0.9
73.02946	21.6
75.00840	0.5
83.01384	7.2
85.02956	5.8
87.00874	2.2
89.02438	3.7
95.01358	1.0
96.96048	0.6
97.02943	2.0
98.20738	1.3
99.00872	1.7
99.04459	0.4
101.02441	27.9
113.02457	8.8
116.92829	0.7
119.03487	3.4
125.02446	3.7
126.29044	0.5
131.03503	4.8
135.04520	1.0
137.02438	0.6
143.03505	5.7
149.04559	6.2
155.03465	1.4
159.04286	0.5
161.04552	16.4
185.04488	0.6
203.05592	9.9
211.13440	0.5
221.06650	26.5
222.06900	1.0
223.59299	0.6
223.96870	0.7
229.73145	0.7
241.09871	0.8
263.07709	19.0
264.08133	0.7
269.09323	0.6
280.01901	0.8
305.08759	25.4
306.09009	1.7
323.09900	1.8
347.09998	0.9
425.34253	1.5
434.17480	0.5
469.33212	9.9
470.33466	0.9
487.34265	100.0
488.34512	12.7
501.36118	2.0
529.35321	23.2
530.35358	3.2
559.36292	1.2
571.35669	0.7
631.38574	2.9
638.23273	0.6
670.26318	0.7
673.39880	2.3
691.40924	1.0
715.41498	0.7
733.41650	20.7
734.41815	4.9
840.47510	0.7
851.34546	0.8
895.46295	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.4697
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03455	1.6
71.01382	21.8
71.52486	0.5
72.99306	1.3
73.02947	22.3
75.00878	0.5
83.01385	7.1
85.02948	6.0
87.00887	3.6
89.02448	3.9
95.01384	1.1
96.95996	0.7
97.02947	1.2
99.00867	2.0
101.02441	31.8
102.02745	0.6
108.87554	0.3
109.02959	0.5
113.02450	11.9
119.03493	3.4
125.02466	3.9
127.04021	0.5
131.03513	6.4
135.04449	0.9
143.03490	4.3
146.26218	0.4
147.03032	0.5
149.04561	8.0
155.03490	1.6
159.02914	0.4
161.04559	17.3
162.04851	0.8
179.05579	0.4
185.04561	0.6
203.05611	10.2
221.06651	26.7
222.07028	1.0
237.00327	0.4
263.07697	20.2
264.08023	0.7
268.08337	0.5
269.09064	0.5
274.88739	0.3
305.08765	28.4
306.09143	1.5
308.02435	0.4
323.09781	2.1
352.05847	0.4
358.96967	0.4
365.10983	0.5
407.11926	0.4
409.31723	0.5
425.12790	0.8
425.34235	1.5
427.31873	0.5
443.35098	1.5
469.33246	8.6
470.33423	1.1
487.34271	100.0
488.34604	14.0
501.35791	1.5
529.35272	24.1
530.35693	3.4
559.36688	0.8
609.64557	0.5
629.76831	0.4
631.38538	2.9
632.38904	1.1
670.25684	0.5
673.39398	2.2
691.40417	0.9
696.40942	0.4
733.41669	25.3
734.41931	4.1
775.42639	0.5
839.48401	0.6
840.47644	0.7
895.47021	1.4
911.65698	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.4648
Annotation	Unknow
Peak:m/z	Relative Intensity
68.79289	17.3
70.66856	17.4
77.38382	16.7
105.58204	17.6
116.92835	25.2
121.02879	20.6
159.04495	54.7
175.06413	69.3
211.13403	61.3
212.13739	42.9
219.09082	28.4
250.18887	25.0
272.12885	29.8
277.21710	32.7
279.14136	19.3
300.16013	27.8
316.15588	28.3
344.18652	30.6
358.15710	17.4
456.25342	20.6
830.46710	100.0
831.46875	23.8
858.50476	68.1
893.46448	43.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	3.7
70.12697	13.2
71.01379	68.3
73.02950	23.1
83.01385	19.1
85.02953	37.4
87.00878	5.4
88.42397	3.2
89.02437	10.6
95.01376	9.0
95.11180	3.4
97.02939	6.7
98.20538	5.3
99.00875	14.4
101.02439	37.8
111.00844	3.8
113.02461	30.9
116.92841	4.5
125.02432	9.7
135.04535	8.9
143.03481	7.3
161.04539	11.1
164.25253	3.7
211.13425	5.0
220.42627	3.3
335.04688	3.8
387.18607	3.3
512.07074	4.0
640.18683	4.7
703.40533	19.2
704.40424	3.7
721.41315	10.2
745.42065	19.2
746.42419	6.0
763.42609	100.0
764.42926	15.7
805.43866	82.4
806.44360	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	891.5146
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	9.6
71.51945	8.6
71.52288	4.6
74.18554	5.5
74.82987	4.3
78.95921	7.5
78.98599	7.1
79.95731	28.4
80.96523	87.8
94.98075	21.9
112.75082	4.6
113.63134	4.6
122.97490	5.4
134.97559	5.6
152.98648	5.4
164.98648	13.7
225.00732	29.7
275.31018	5.4
411.69739	5.6
455.80862	5.4
891.51196	100.0
892.51404	19.4
918.34924	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	890.4912
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	20.7
64.82132	0.5
70.72281	1.5
71.01388	3.8
78.95895	0.8
83.01411	0.7
85.02945	0.8
87.00849	0.6
89.02450	2.0
93.03485	1.0
101.02441	2.1
101.92876	0.5
113.02419	1.6
121.02953	11.0
134.03772	0.6
135.04503	1.4
151.06386	7.7
152.07170	12.5
155.10901	0.6
159.04503	3.7
161.04567	0.9
171.10216	0.6
179.05632	0.6
179.53000	0.5
183.10280	4.8
183.13873	5.6
193.12363	1.6
211.13380	100.0
212.13733	5.0
225.11409	0.7
235.08171	2.2
249.18568	45.1
250.18887	2.2
253.09258	4.4
277.21683	5.3
316.18961	0.7
344.18555	0.8
429.21213	3.1
447.22354	14.0
448.22433	1.2
485.27600	1.6
513.31000	0.9
598.28918	1.5
679.40643	11.5
680.40894	1.8
734.46185	0.6
830.47089	5.7
831.47461	1.2
890.44635	0.6
891.46558	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	889.4816
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	8.1
69.03452	1.2
71.01389	15.5
73.02948	2.3
78.95860	1.2
82.25535	1.0
84.55504	1.1
85.02940	3.8
87.00877	4.7
89.02446	11.2
96.96015	5.5
97.02941	2.5
99.00849	1.3
101.02454	10.9
103.00359	1.4
105.03455	11.3
109.02949	3.4
111.55258	1.0
113.02457	7.2
116.92866	3.4
119.03498	3.1
121.02995	1.5
125.02445	6.2
127.11244	1.9
133.02989	8.8
137.02417	1.8
143.03535	1.8
148.01721	1.1
149.02455	4.9
158.75885	1.1
161.04529	4.3
171.10271	100.0
172.10622	3.6
177.01920	14.2
179.05603	3.1
183.10185	1.3
186.54031	1.0
209.04550	28.6
210.05067	1.2
213.69658	1.2
227.25946	1.1
235.08141	5.5
259.07953	1.2
277.21741	57.5
278.22031	6.0
287.07941	1.5
305.08505	2.2
323.09872	1.4
359.43210	1.2
379.12515	13.6
397.13510	44.6
398.13913	2.4
415.14566	6.8
438.24371	1.2
551.23547	3.7
569.24219	3.2
600.66278	1.3
675.35120	1.4
787.14392	1.3
889.47266	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.4805
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	15.9
69.03454	2.1
69.47887	1.5
71.01378	18.6
72.99310	2.2
73.02937	3.2
78.95898	4.8
81.03461	1.4
83.01376	3.2
85.02966	3.9
86.77422	1.4
87.00867	5.9
89.02445	14.2
93.95443	1.3
95.01408	1.6
96.95992	7.9
97.02982	2.5
98.19868	3.6
98.30680	2.0
100.87339	1.5
101.02429	12.0
105.03440	8.3
109.02942	4.4
113.02458	7.7
116.92874	3.2
117.89168	1.4
119.03456	2.6
121.02945	3.2
125.02439	9.2
127.11276	2.1
133.02943	5.6
135.04532	1.7
137.02332	2.0
143.03505	2.5
149.02448	3.1
152.99585	2.2
156.68269	1.4
161.04532	5.1
171.10265	100.0
172.10606	2.7
177.01875	9.6
179.05629	4.6
183.10304	2.0
209.04521	15.6
215.28767	1.5
221.06656	1.5
229.09427	2.0
235.08205	6.7
253.09166	2.1
277.21704	79.5
278.22076	5.7
287.07687	2.4
305.08728	2.0
323.09903	2.6
365.25354	1.7
379.12460	18.1
397.13467	49.6
398.08633	1.7
398.13904	2.1
415.14645	8.5
551.23425	4.7
569.24603	2.8
634.18158	1.6
675.36145	3.2
889.47784	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	889.315
Annotation	Unknow
Peak:m/z	Relative Intensity
62.57391	2.0
64.69212	2.1
66.79972	2.2
69.03445	3.5
71.01382	73.5
72.99285	3.0
73.02948	100.0
75.00880	2.6
78.37394	2.0
83.01392	28.3
85.02947	7.8
87.00887	3.8
89.02454	15.6
91.35738	2.8
95.01403	3.0
101.02444	86.9
106.06609	3.1
113.02435	30.6
114.02763	2.3
115.00373	6.3
119.03485	11.6
125.02424	5.4
131.03490	10.0
133.01427	11.0
133.02948	4.5
135.04555	4.8
136.01657	10.5
138.08733	3.2
143.03481	10.4
149.04575	20.1
151.00333	5.2
151.04002	13.3
155.03459	4.9
161.02417	6.1
161.04565	30.8
178.99709	2.8
203.05649	4.6
221.06578	7.1
227.03371	4.5
231.10060	2.9
243.02925	8.8
244.03299	2.5
255.02971	19.1
256.03302	7.8
257.03476	5.1
271.02509	25.5
272.02859	15.8
273.03079	7.3
276.18497	2.3
279.63275	2.3
284.03250	7.3
285.03662	5.0
300.02774	42.4
301.03189	27.2
302.03290	12.8
307.11719	3.0
325.12878	3.5
357.13388	20.6
421.62543	2.9
447.09238	3.6
706.99078	2.9
742.19196	5.5
743.19672	17.2
889.22925	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	887.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02394	0.5
65.00321	1.1
65.56567	0.3
69.49178	0.7
69.49577	1.8
69.69824	0.3
70.00079	0.4
71.01379	0.7
71.17485	0.3
73.02955	0.4
76.04012	0.3
81.82642	0.3
83.01401	0.6
88.31768	0.3
98.20644	0.7
101.02413	0.5
104.37248	0.4
107.01399	2.2
108.02175	1.8
115.00336	0.4
117.03458	1.0
119.05052	0.6
121.02927	0.9
133.01410	0.5
133.02954	0.7
134.03836	0.4
135.00888	1.0
135.04494	1.0
145.02972	1.3
147.01025	0.4
148.01697	1.3
149.06137	0.4
151.00366	6.2
161.02444	1.4
163.00372	1.2
163.04057	0.4
164.01053	0.6
175.04077	0.4
178.99879	4.5
179.03525	0.6
187.03986	0.7
199.03983	1.3
211.04005	0.9
215.03545	0.8
216.04233	0.7
226.02719	2.1
227.03510	3.4
229.04976	0.4
243.02969	13.8
244.03513	1.4
254.02162	2.5
255.02983	30.8
256.03339	1.8
271.02472	61.2
272.02942	4.8
273.04001	0.5
283.02402	0.5
284.03333	2.9
285.03983	0.8
299.02045	3.6
300.02744	100.0
301.03299	11.2
723.17664	3.9
724.17786	0.4
725.19305	0.7
741.18823	32.0
742.19189	5.0
770.27032	0.4
887.22498	24.0
888.22839	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	887.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
63.83751	1.2
65.00323	1.8
69.77223	7.2
73.47121	1.1
78.12850	1.3
83.01383	1.5
89.65597	1.4
98.19924	1.9
99.58595	1.3
104.09315	1.4
107.01386	4.0
108.02144	2.8
117.03438	1.7
121.02963	1.8
132.02158	4.7
133.02956	27.1
133.74623	1.4
135.00877	1.4
135.04497	5.9
143.87256	1.5
151.00369	8.7
161.02432	51.7
162.02791	2.0
163.00334	2.9
175.03998	1.4
178.99849	5.4
179.03511	2.8
203.03487	2.0
211.03963	2.4
226.02586	1.9
227.03487	33.5
228.03706	2.3
229.04898	1.7
239.03508	1.7
243.02946	10.2
254.02274	2.7
255.02974	93.8
256.03540	6.9
257.04630	2.0
271.02454	66.7
272.02957	5.4
283.02173	2.6
284.03244	73.9
285.03922	18.8
299.01871	4.6
300.02750	100.0
301.03259	12.1
563.02271	1.3
723.17932	4.7
725.19403	12.6
741.18774	34.3
742.19513	4.7
887.22406	62.1
888.22778	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4858
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	12.6
66.14595	0.4
68.21814	0.4
69.03455	1.2
71.01383	15.9
71.01779	0.9
72.99285	0.8
73.02956	2.4
75.00874	0.9
79.95744	1.7
80.02686	1.2
80.96513	1.0
81.03452	2.4
83.01388	1.5
83.05031	4.8
84.02177	0.8
85.02950	3.5
87.00881	3.7
88.98827	1.9
89.02446	11.8
93.03449	0.7
95.01385	1.6
95.05069	0.6
97.02973	2.8
99.00879	1.2
101.02446	10.5
109.02921	0.6
109.06582	0.7
113.02452	5.9
119.03505	4.2
125.02445	6.5
125.06065	0.8
126.90372	0.5
131.03540	0.5
136.16798	0.5
137.02386	0.5
143.03548	3.0
161.04533	2.6
163.11305	4.6
165.12845	2.0
167.03543	0.4
179.05609	3.2
181.12436	0.6
187.61096	0.5
191.10741	1.5
201.05592	0.6
202.06331	0.5
207.10219	0.7
209.11826	100.0
210.12169	4.9
211.13370	1.0
217.07103	0.7
221.06667	1.4
225.11330	0.9
227.12883	11.5
228.13292	0.7
235.08228	5.4
241.18523	0.5
253.09351	1.4
259.08176	0.5
263.07782	0.5
277.21719	48.7
278.22089	4.0
279.22903	0.5
283.13416	1.6
287.07834	1.7
305.08829	1.9
323.09900	1.4
327.12372	0.8
327.16006	1.2
349.15381	0.5
357.71884	0.5
379.12396	5.5
397.13519	36.1
398.13699	2.4
414.00616	0.5
415.14545	8.8
416.14825	0.7
607.26031	0.8
754.12823	0.5
841.46997	1.1
885.45819	3.7
886.45081	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4851
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	8.6
69.03448	0.8
69.37713	2.1
69.38137	2.4
71.01383	14.2
72.99321	1.0
73.02946	1.9
75.00844	0.9
80.02671	1.3
81.03453	2.1
83.01389	1.9
83.05023	5.3
84.02165	0.8
85.02959	3.3
87.00891	3.3
88.98820	2.0
89.02443	12.7
95.01399	0.9
95.05047	1.0
97.02961	2.6
98.19902	1.2
99.00861	1.0
101.02442	11.0
109.06570	1.2
113.02465	6.5
116.92850	1.1
119.03517	3.4
121.02961	1.0
125.02452	5.9
125.14771	0.6
135.08183	0.8
137.02444	0.6
143.03517	3.0
145.02702	0.7
152.07193	0.9
161.04533	3.4
162.04871	0.6
163.11322	4.2
165.12872	1.6
167.03383	0.5
179.05573	4.0
181.12343	0.7
191.10852	1.0
199.13454	0.6
201.05632	0.9
202.06297	0.8
207.10242	1.7
209.11823	100.0
210.12144	4.2
211.13397	2.9
212.13724	1.1
221.06660	1.5
225.11357	2.2
226.11740	0.8
227.12872	11.8
235.08209	4.4
239.95413	0.6
251.12691	0.6
253.09331	1.3
277.21722	43.9
278.22025	3.7
283.13370	2.5
287.07800	1.8
303.23410	0.9
305.08804	2.4
305.17862	0.6
323.09674	1.2
327.15948	1.3
332.96490	0.7
379.12469	5.5
394.03198	0.6
397.13522	33.4
398.13763	2.5
411.32858	0.6
415.14633	9.6
438.07840	0.6
581.25946	0.8
607.26062	1.2
841.46844	1.7
885.46796	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	885.4849
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98848	1.6
69.03465	2.7
69.21387	3.3
69.21805	11.7
71.01384	100.0
72.99319	5.8
73.01186	1.4
73.02944	34.4
78.21049	1.7
78.95897	1.8
83.01395	19.1
85.02956	33.1
87.00880	8.4
87.04521	3.2
89.02448	65.3
95.01397	6.0
96.96017	3.9
97.02946	2.4
99.00896	7.7
101.02444	97.4
101.06102	2.7
113.02449	49.3
119.03510	34.0
125.02470	3.8
131.03484	8.2
135.04469	2.1
143.03485	14.1
149.04562	14.2
159.03006	1.6
161.04562	37.1
178.04771	3.7
179.05605	36.7
180.06117	1.8
181.05104	3.1
203.05606	4.0
203.36433	2.0
221.06671	10.7
378.42352	1.7
381.22772	23.7
389.27142	2.3
399.18573	4.1
399.23822	70.4
400.24414	7.9
418.52356	2.0
441.24860	30.1
442.25278	5.5
619.24994	1.8
658.33881	2.0
664.22437	1.9
841.46533	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02401	1.2
65.00329	1.6
71.52071	0.6
79.13258	0.4
83.01394	1.4
88.14471	0.4
93.03464	0.5
101.02467	0.6
107.01384	2.7
109.03018	0.5
117.03481	4.6
119.05023	2.5
132.02170	1.0
133.02922	0.5
135.00902	1.4
135.04530	0.7
145.02954	10.5
149.06032	0.7
151.00371	5.6
152.01164	0.6
159.04512	2.1
163.00375	1.4
163.04021	2.4
164.01196	0.9
169.01476	0.7
171.04495	0.8
178.99869	1.4
183.04541	2.1
184.05304	0.4
187.04033	0.9
199.04022	0.6
211.04021	2.8
213.05655	1.1
227.03490	31.9
228.03867	2.6
229.05032	3.6
239.03531	1.2
243.03235	0.5
255.02989	75.6
256.03534	8.7
257.04510	3.6
281.04538	0.7
283.02475	35.9
284.03256	100.0
285.03983	35.3
286.04388	2.0
327.05084	0.6
413.08844	2.4
430.08902	2.6
431.09839	1.3
575.14264	0.7
593.15057	23.9
594.15601	2.7
627.03314	0.5
739.18805	99.7
740.19135	17.4
885.24127	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
70.89955	2.4
71.01350	1.7
73.02946	1.3
77.96724	0.9
78.28247	0.9
93.03465	1.5
101.02430	1.5
119.05015	1.9
121.02956	12.5
122.03738	5.2
132.02153	2.9
133.02942	6.9
133.03842	1.2
134.03751	52.0
135.04451	3.7
136.01576	1.3
137.02464	7.3
139.04018	2.0
147.04515	5.1
148.05342	1.3
149.02428	14.8
149.06065	17.0
150.03226	44.0
151.03583	1.7
160.01654	11.7
163.04018	1.7
164.04724	3.1
165.05569	52.6
175.04001	14.2
176.04778	8.0
177.01889	2.8
178.01212	1.9
178.02715	31.1
179.03128	2.2
180.04242	4.2
191.07159	8.7
193.05054	100.0
194.05367	4.2
195.06628	26.1
196.06854	1.3
211.26875	0.9
217.05128	1.4
220.03661	1.3
225.69910	1.0
232.87006	1.1
233.06055	0.9
234.06764	1.1
235.06070	17.7
236.06369	1.2
239.07127	1.3
250.06334	3.8
251.07040	1.2
253.08615	1.2
265.08420	1.1
267.06915	1.7
282.08954	8.5
297.11298	1.6
328.70193	1.0
341.10269	35.1
342.10617	2.8
383.11163	2.3
389.12430	80.6
390.12711	5.9
397.11371	2.0
431.13586	2.9
530.83466	1.0
593.18781	28.3
594.19031	4.8
619.65222	1.0
635.19830	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	884.458
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	25.7
71.01366	3.1
74.22295	1.9
78.95895	2.7
112.00169	1.9
113.02454	3.0
116.92773	2.8
121.02991	3.3
123.04562	2.8
125.02492	2.5
135.04535	4.5
147.04532	4.1
151.06339	4.0
152.07190	9.2
159.04568	3.2
175.06381	41.6
175.07683	1.8
181.88542	2.2
183.10213	20.9
189.05603	3.3
203.07240	4.8
211.13388	8.3
219.08931	16.9
249.18623	4.8
265.67337	2.2
272.12912	33.0
277.21747	30.7
290.14059	10.0
316.15549	29.6
317.15787	3.6
334.16489	11.5
497.04721	2.3
570.25775	7.7
678.02838	2.3
679.40118	10.6
680.41449	2.5
786.44470	2.7
830.46930	100.0
831.47278	23.6
904.56183	2.8
912.74426	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	883.4696
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	2.0
62.20843	0.5
64.43952	0.5
65.21592	0.5
65.21955	0.5
65.61404	0.6
70.53043	1.2
70.53377	0.6
71.01378	17.2
72.99306	0.8
73.02945	18.5
75.26965	0.5
76.34296	0.5
81.77348	0.5
83.01382	6.3
85.02965	3.2
87.00872	1.0
89.02457	2.9
95.01392	0.7
96.95998	0.9
99.00889	1.4
100.69885	0.5
101.02441	15.2
113.02448	4.1
119.03458	1.0
125.02408	0.8
133.01485	0.7
143.03487	0.6
161.04582	1.8
167.52171	0.5
177.01926	0.8
209.04536	1.2
221.06598	1.0
225.80965	0.6
300.48141	0.6
455.35294	1.3
473.36203	1.6
498.60614	0.5
617.40417	4.7
635.41199	2.4
781.45825	0.8
797.46515	1.6
839.47937	100.0
840.48267	18.7
840.64569	0.8
841.48901	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.4696
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98817	6.9
64.57774	1.4
64.67225	1.6
69.42525	7.5
69.42929	4.5
71.01382	32.7
72.99299	1.9
73.02967	4.1
75.53289	1.4
81.73569	1.5
83.01426	2.6
85.02957	12.4
87.00880	4.0
89.02436	5.5
91.17028	1.6
98.43359	1.9
99.00880	4.3
101.02451	11.1
113.02437	14.3
131.03490	1.9
137.83507	1.6
161.04489	2.7
181.90074	1.6
193.07159	1.9
211.13414	2.4
221.06578	3.8
242.54755	1.7
244.54518	1.7
249.18677	11.1
265.18073	4.0
366.14117	2.2
427.23578	8.8
469.24350	3.5
506.67242	1.8
605.81903	1.7
631.29596	14.6
632.30060	2.4
633.31635	2.4
712.89130	2.0
830.47778	2.6
839.47974	100.0
840.48309	21.4
883.49487	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	883.4695
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	9.2
65.79479	0.7
69.03473	2.0
71.01384	21.7
72.99310	2.4
73.02945	4.0
78.95896	1.2
80.02670	0.9
80.96510	0.8
81.03452	4.2
83.01378	2.0
83.05027	3.7
85.02956	5.0
87.00884	5.4
88.98817	2.0
89.02447	18.5
93.03426	0.7
95.01394	2.3
95.05040	0.8
96.96028	0.7
97.02953	11.8
99.00887	3.4
101.02448	15.7
103.70367	0.7
106.04202	0.8
107.05033	1.7
109.06594	34.1
110.06905	1.1
113.02458	9.5
119.03510	5.0
121.06607	3.0
123.04543	1.2
125.02468	6.7
130.64372	0.7
131.03517	0.8
135.08154	4.2
136.05315	1.5
139.04018	1.0
141.01923	1.2
142.02725	2.3
143.03479	3.4
145.10202	1.0
149.04568	0.7
152.07161	0.8
152.99648	1.2
161.04576	4.2
161.09747	1.6
163.11295	20.3
164.11633	0.8
179.05629	5.7
179.10783	0.8
181.12373	4.4
189.09196	3.3
201.11325	3.0
202.11673	1.6
207.10254	100.0
208.10681	4.5
209.11821	7.3
210.12126	2.6
221.06728	3.1
225.11317	43.7
226.11633	2.8
227.12923	0.8
229.59021	0.7
235.08257	6.4
243.12418	2.0
253.09340	1.4
255.23299	1.5
256.23581	1.6
277.21719	56.6
278.22153	4.8
278.24777	0.9
287.07675	2.0
299.15054	1.2
305.08765	2.6
323.09784	1.0
379.12369	6.1
397.13510	42.2
398.13943	4.2
415.14594	13.5
416.14966	0.8
441.33725	1.5
443.19363	0.7
587.23218	1.0
605.24561	7.5
623.25519	9.2
624.26276	1.1
865.45227	2.0
883.46973	54.5
884.47095	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	881.5114
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	14.8
69.29440	13.4
71.01388	19.4
73.02953	2.5
78.95894	2.9
80.02674	1.9
83.01394	1.8
83.05007	3.5
85.02951	3.7
87.00879	5.1
88.98806	16.0
89.02441	17.0
96.96019	1.9
97.02938	4.1
98.20687	3.5
101.02451	13.5
113.02454	6.6
116.92879	2.9
119.03479	2.9
125.02445	6.6
125.09706	2.2
127.11276	5.2
135.04541	1.8
152.07095	3.4
161.04532	3.7
163.11273	3.5
165.12842	2.3
171.10304	4.3
179.05605	5.2
197.11664	1.9
201.11316	75.6
202.11702	3.4
209.11826	100.0
210.12074	4.5
225.11385	2.8
227.12845	8.6
230.57686	1.9
235.08246	6.1
255.23283	53.4
256.23651	5.8
272.95367	1.9
277.21765	5.5
287.07794	2.2
305.08749	2.8
323.09689	1.8
379.12482	12.3
397.13486	43.8
398.13962	5.3
415.14667	11.0
581.24335	2.8
589.24860	3.0
599.26074	2.7
607.25458	2.2
651.76343	1.9
653.37579	3.0
734.14520	1.7
868.70746	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.469
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	14.5
69.03425	1.8
71.01011	1.9
71.01382	25.9
71.52014	1.1
72.99298	2.7
73.00286	0.8
73.02949	5.1
73.09575	0.8
78.95897	3.7
80.02643	1.0
81.03463	4.6
83.01378	4.1
83.05011	2.8
85.02943	7.9
87.00887	4.7
88.98798	1.8
89.01929	1.7
89.02440	22.0
93.03446	0.8
95.01371	3.4
95.04996	1.0
97.02958	12.0
99.00864	4.3
101.02438	19.1
109.02939	1.8
109.06586	33.3
110.03720	2.2
111.04556	1.1
113.02449	13.7
116.86082	1.1
116.92842	2.4
119.03490	5.3
121.02935	2.4
121.06567	1.9
123.04539	1.6
125.02447	8.2
125.09712	1.2
133.06529	1.1
135.08170	4.7
136.05298	3.0
139.03963	0.9
141.01968	1.7
142.02711	3.6
143.03473	4.8
145.10252	1.0
148.04124	1.0
152.07153	1.3
152.99544	1.4
161.04527	5.3
161.09712	2.6
163.11287	18.9
179.05666	5.9
181.12325	3.7
183.10193	1.4
189.09125	2.4
190.09511	1.0
206.08008	1.0
207.10251	100.0
208.10561	4.2
209.11833	3.6
221.06560	2.3
225.11298	39.5
226.11627	1.9
235.08232	6.9
253.09207	2.0
255.23001	1.3
259.08267	1.1
263.07751	1.4
263.27890	1.1
277.21698	81.2
278.22086	7.8
287.07651	1.5
299.14838	1.9
305.08682	2.8
379.12518	7.3
397.13510	47.1
398.13797	4.0
415.14612	15.0
605.24506	5.9
623.25439	5.4
675.35083	1.6
703.40637	1.2
721.42474	1.1
760.37671	1.1
883.46906	56.2
884.47015	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	881.4891
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	2.3
62.32547	0.4
62.46189	0.4
69.03450	1.0
70.84640	0.8
71.01384	16.4
72.99310	1.2
73.02945	8.6
75.00851	0.5
75.08717	0.4
81.03419	0.4
83.01386	4.6
85.02951	9.2
87.00880	2.3
88.61120	0.4
89.02444	2.5
90.94553	0.4
95.01373	2.0
97.02941	1.9
99.00887	2.5
101.01794	0.8
101.02442	11.7
101.76472	0.5
111.00875	0.9
112.01587	0.5
113.02455	6.9
119.03514	0.5
125.02467	2.3
131.03473	0.5
135.04498	1.2
143.03519	1.0
143.06583	0.4
145.09647	0.4
155.30998	0.5
161.04541	1.9
173.53038	0.4
221.06618	0.7
265.97784	0.4
364.92743	0.4
425.34164	0.5
427.35999	1.1
473.36499	3.4
478.36212	0.4
589.40692	0.6
617.40271	1.8
633.40155	0.6
634.40643	0.5
635.41687	2.6
636.42096	0.5
659.41534	0.9
677.42676	3.9
678.42926	0.7
765.86652	0.5
779.45386	1.1
797.46246	1.1
821.46985	3.1
822.46021	0.8
839.47797	4.2
840.48181	1.0
881.48993	100.0
882.49249	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	881.4907
Annotation	Unknow
Peak:m/z	Relative Intensity
61.37296	0.9
61.98822	5.4
62.29188	0.8
63.81531	0.8
66.69236	1.0
68.99803	1.0
69.03457	2.4
71.01382	24.1
71.51796	1.6
72.99297	1.3
73.02948	10.1
80.99040	1.0
81.03447	1.0
83.01385	7.4
85.02950	15.9
87.00863	3.7
89.02428	3.0
95.01395	5.3
96.42799	1.0
96.96030	1.5
97.02932	4.2
99.00871	4.2
99.73046	0.9
101.02447	15.9
111.00872	1.7
111.04501	1.0
112.01646	4.6
113.02455	14.0
119.03522	1.5
125.02435	4.2
135.04500	1.4
137.02386	1.1
143.03513	2.2
155.03496	1.2
155.07036	0.9
159.02878	1.3
161.04501	2.1
177.01787	1.0
182.16469	1.0
266.81894	0.9
281.89063	0.9
293.05386	0.9
408.41565	1.0
423.40500	1.0
473.36337	3.3
479.21637	1.0
617.40082	2.8
635.41461	4.5
659.42102	1.2
677.42596	3.8
719.46313	1.0
761.45099	1.4
779.45837	4.2
797.45978	1.2
821.46967	49.9
822.47174	7.0
839.47876	41.5
840.48315	6.9
881.48993	100.0
882.49408	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	881.489
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	1.3
64.86059	0.2
67.01910	0.2
69.03442	0.5
71.01380	14.8
71.52450	0.2
72.99295	1.0
73.02944	6.8
75.00867	0.4
81.03479	0.3
83.01386	4.6
85.02950	7.8
86.00111	0.5
87.00877	2.1
89.02443	2.9
95.01382	2.1
97.02965	1.4
99.00886	2.9
101.02441	9.7
105.55553	0.2
111.00871	0.6
112.01639	0.5
113.02450	7.0
119.03490	0.8
125.02441	1.5
131.03456	0.5
131.04912	0.2
135.04503	1.1
143.03502	1.2
159.02985	0.4
161.04588	1.9
178.52168	0.2
179.05612	0.4
203.05632	0.3
221.06616	0.5
227.02194	0.2
233.09462	0.3
246.90846	0.2
295.18759	0.3
301.45505	0.3
347.49808	0.2
409.34747	0.4
425.33969	0.3
427.35596	1.1
429.30240	0.3
455.35461	0.5
473.36530	3.2
474.36652	0.3
527.37177	0.3
617.41022	1.7
633.39868	0.4
635.41455	2.6
636.41846	0.5
659.41498	0.8
677.42847	3.7
678.42688	0.7
779.45624	1.1
797.47150	0.9
821.46832	3.6
822.46307	0.4
837.44263	0.5
839.47736	3.8
840.48438	0.9
881.48993	100.0
882.49268	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	881.4894
Annotation	Unknow
Peak:m/z	Relative Intensity
61.38367	1.2
61.98836	5.4
70.71949	2.7
71.01012	1.7
71.01382	32.5
72.99309	2.0
73.02949	28.8
83.01383	9.6
85.02951	7.9
87.00870	2.0
89.02445	4.5
95.01365	1.7
97.02980	1.2
97.17355	1.4
99.00847	2.1
99.74012	1.2
101.02446	26.7
105.03432	2.1
107.04984	1.5
109.02946	1.4
113.02457	10.0
125.02456	2.9
127.84825	1.2
131.03485	1.5
133.02904	1.7
135.04495	4.8
137.02377	1.4
143.03508	2.7
161.04538	6.8
173.67987	1.1
174.51645	1.1
203.05489	3.0
209.04552	2.6
221.06580	2.6
263.07663	3.6
272.94461	1.2
277.31552	1.3
305.08823	1.7
400.66336	1.3
473.36383	23.0
474.36710	3.3
592.14166	1.2
599.39294	1.7
617.40546	1.7
633.39996	3.9
635.41779	1.8
659.41925	3.7
677.42877	3.6
779.46307	2.2
797.47192	2.6
821.46716	2.0
837.46136	3.3
839.47382	9.1
881.49030	100.0
882.49329	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.4896
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	5.7
69.03438	1.2
71.01377	17.8
71.44223	1.2
71.44582	1.3
72.99310	1.6
73.02949	7.8
83.01394	3.9
85.02943	8.9
87.00884	3.0
89.02451	4.0
95.01368	1.8
96.96018	1.6
97.02935	1.8
99.00859	2.7
101.02448	9.7
110.17651	0.7
113.02444	6.7
125.02451	2.7
135.04500	1.0
143.03487	1.3
159.02837	0.8
161.04555	1.9
166.72426	0.8
240.41708	1.0
318.01056	0.8
425.19815	0.8
427.35583	1.3
473.36261	2.8
617.40558	1.7
635.41864	2.2
659.41827	1.2
677.42609	3.9
678.42468	1.2
779.45905	1.5
797.48010	1.3
821.46680	2.3
837.47870	1.0
839.48022	3.0
881.49011	100.0
882.49225	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	881.4913
Annotation	Unknow
Peak:m/z	Relative Intensity
61.69365	2.2
61.98830	20.1
62.32588	1.9
66.91079	2.4
69.03452	2.9
71.01385	23.8
73.02953	9.1
83.01390	8.5
85.02976	13.8
87.00892	3.0
87.11407	2.2
88.98835	3.8
89.02456	5.1
92.66776	2.7
95.01376	6.0
98.19831	3.6
99.00904	4.6
101.02435	15.0
102.49706	2.7
110.73660	2.4
111.00885	2.8
113.02485	12.6
117.61921	2.2
125.02437	3.9
135.04517	2.4
510.38077	3.1
592.95032	2.9
677.42621	3.4
779.46222	3.1
821.47003	39.3
822.46863	6.8
839.48193	32.0
840.48431	3.6
881.48962	100.0
882.49689	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
62.37563	1.0
69.16132	1.1
69.16411	5.9
69.16839	3.6
69.65096	0.9
71.01383	1.5
73.02926	1.6
82.02993	9.5
83.15022	1.0
87.52416	0.9
98.92407	0.9
108.04546	2.0
108.08174	1.4
108.93169	1.0
110.02304	0.9
112.04034	3.0
120.04517	3.0
122.06082	2.4
122.09744	3.0
124.04066	0.9
129.05571	1.3
134.06099	1.0
135.04527	1.3
136.07732	1.9
139.02762	1.4
147.03242	2.5
148.04042	23.9
148.07713	1.1
149.04840	12.2
150.05605	45.9
151.05901	1.1
154.05055	3.5
160.04028	5.3
161.04837	14.0
162.05583	4.6
163.02739	2.8
164.03546	8.6
164.07155	2.8
166.08733	3.2
172.04057	1.2
173.03503	8.2
173.04822	3.6
174.04326	33.9
174.05608	3.3
175.05067	14.9
175.06404	5.8
176.05812	2.2
177.06682	1.9
186.05568	3.2
187.06313	5.3
188.07207	1.8
189.06654	15.5
190.05141	1.9
190.07466	42.9
191.05980	2.4
191.08162	5.2
200.07164	3.9
201.07910	6.1
202.03734	1.0
202.07079	5.5
202.08806	4.4
203.05791	3.0
203.08144	3.4
204.06622	1.4
213.06693	1.5
213.10236	2.1
214.05019	1.3
214.10970	5.1
215.06018	1.6
215.08022	1.9
215.18024	0.9
216.05164	1.1
216.06882	1.1
217.07408	3.2
217.09650	2.5
218.10559	1.3
220.09799	1.7
224.07191	1.2
226.08788	0.9
227.09581	1.2
228.06764	4.9
231.07770	6.8
232.08517	45.2
233.07072	1.3
233.09236	15.3
241.09746	1.9
242.08199	2.5
242.10588	2.7
243.07529	6.7
243.11232	2.0
244.08258	21.3
245.06857	2.4
245.09233	15.6
246.07486	1.4
253.13344	1.3
259.11108	1.3
262.09521	2.7
263.10242	1.2
267.07687	1.7
268.08502	2.6
269.09229	2.9
271.14575	10.0
279.11340	1.3
285.08975	2.1
286.09583	11.0
287.10495	7.0
289.09457	2.1
296.13904	1.8
304.10516	2.2
315.13550	5.4
322.11703	1.3
337.10574	3.1
340.13034	1.5
354.18143	4.7
366.18002	1.8
390.18256	1.6
398.17123	4.9
408.19113	4.4
409.17722	1.8
410.17310	3.5
426.20374	7.7
428.18011	1.4
434.17108	3.2
449.15652	1.5
452.18277	21.9
453.17471	2.4
467.16669	3.2
470.19357	24.6
471.19742	1.7
519.19733	2.6
544.19208	3.2
571.25458	1.4
589.26208	2.4
602.23444	13.3
603.24298	2.0
613.23566	1.6
614.23358	7.4
615.24139	5.4
616.24371	1.4
632.24597	2.8
633.25854	8.3
634.27051	1.1
656.24640	15.2
657.23438	8.2
658.22589	1.8
674.25610	100.0
675.25830	16.0
707.25879	1.4
765.29822	3.2
795.30634	3.7
819.31219	3.6
820.30261	1.3
837.32031	36.2
838.32330	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	881.3096
Annotation	Unknow
Peak:m/z	Relative Intensity
69.39201	8.8
82.02981	7.7
96.04563	1.2
112.04062	2.9
120.04566	2.6
122.09729	2.9
136.07642	2.8
147.03200	2.0
148.04041	24.5
149.04860	8.7
150.05608	39.1
154.05080	2.2
160.04021	5.2
161.04796	14.1
162.05559	4.3
163.02676	2.8
164.03560	8.3
164.07167	3.3
166.08675	2.0
173.03526	7.1
173.04811	2.4
174.04337	33.2
174.05629	3.5
175.05081	11.7
175.06404	7.8
176.05869	1.8
186.05617	2.7
187.06328	6.0
188.07123	2.8
189.06659	13.8
190.05034	2.4
190.07472	42.0
191.08115	4.1
200.07127	5.0
201.07846	4.2
202.03754	1.4
202.07372	4.6
202.08791	5.0
203.05989	2.2
203.08218	3.3
204.06616	1.8
208.03938	1.5
214.11067	4.8
216.06758	2.9
217.07304	3.7
217.09833	1.9
226.08879	1.5
228.06644	2.8
231.07736	8.7
232.08525	47.1
233.09300	12.4
242.08199	1.9
242.10524	3.1
243.07527	7.5
243.11369	3.5
244.08224	20.7
245.06999	2.3
245.09239	11.3
262.09515	3.9
268.08472	2.7
269.09375	3.1
270.07596	1.5
271.14462	7.4
286.09613	10.8
287.10489	7.4
289.09396	2.9
296.14008	2.3
304.10660	3.1
312.16757	1.5
315.13428	5.8
340.12805	1.8
354.18179	2.7
366.18103	2.0
390.18237	2.2
398.17136	5.1
408.19308	3.9
409.17673	1.9
410.17337	3.7
426.20255	6.5
434.17075	3.6
452.18207	19.7
453.18088	1.7
467.16794	2.0
470.19223	18.3
471.19431	1.9
513.00049	1.6
519.19830	3.9
544.19543	2.2
589.25928	2.1
602.23633	12.7
603.24146	1.7
614.22888	7.4
615.23859	4.3
632.24554	2.6
633.25647	9.3
656.24567	14.9
657.23383	6.8
674.25562	100.0
675.26105	17.9
765.30225	4.1
819.31042	4.1
837.32013	37.8
838.32098	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.5149
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	27.2
63.96236	2.2
69.03465	1.8
71.01385	11.2
71.51785	1.8
73.02969	1.7
77.81047	1.4
78.75893	1.0
78.95910	2.1
78.98611	7.5
79.95733	22.0
80.96519	100.0
85.02943	4.1
87.00867	3.1
94.98093	23.7
96.96016	3.1
97.02944	2.5
101.02438	3.2
106.98103	4.7
116.92823	1.1
122.97563	5.4
125.02442	4.0
127.04066	1.2
128.42456	1.2
132.58162	1.2
134.97583	6.8
136.99136	3.3
144.32680	1.2
148.99162	8.9
152.98643	7.9
164.98637	16.7
193.92908	1.0
198.14410	1.2
206.99683	3.3
225.00732	24.0
255.23291	3.2
283.04922	1.7
321.34082	1.2
325.18295	1.4
537.27051	2.5
709.38232	1.5
770.74561	1.3
879.51031	86.1
880.51349	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.4956
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	16.5
64.54762	2.7
69.51196	5.2
69.51598	17.9
70.81506	2.7
71.01384	29.9
73.02934	5.2
78.95877	4.8
85.02948	6.0
87.00878	5.3
89.02457	19.7
97.02943	8.0
98.65800	2.9
99.00868	11.9
101.02450	26.0
101.92419	2.6
109.06561	8.2
113.02464	8.5
116.92883	6.0
119.03456	5.4
123.18118	2.6
125.02415	9.5
125.09698	5.8
134.89444	5.9
135.04515	3.4
137.09758	4.0
152.93842	2.5
152.99588	2.9
155.10789	3.4
163.11264	10.7
165.89078	2.7
171.10274	28.9
179.05605	4.8
181.12329	10.8
197.11789	6.6
199.09735	16.3
199.13358	9.5
201.11317	8.5
207.10274	43.0
215.12807	7.7
221.06589	3.8
225.09210	4.8
225.11333	53.8
226.11621	3.9
235.08235	3.9
243.12364	19.5
255.23296	73.5
255.25946	6.2
256.23575	7.7
291.19583	5.3
325.18338	7.8
379.12399	6.8
397.13495	34.2
408.77139	2.7
415.14581	6.8
605.24658	6.4
623.25897	8.5
806.81110	3.6
835.46442	11.6
861.48364	22.6
862.48297	6.0
879.49567	100.0
880.50433	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	879.496
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98817	2.4
69.03455	1.6
69.38799	5.5
71.01385	16.4
71.04998	1.6
72.99298	1.3
73.02937	2.0
78.95901	1.6
83.01382	1.9
83.04985	0.8
85.02942	3.1
87.00874	2.2
88.98800	0.8
89.02443	9.8
97.02950	5.1
99.00873	11.7
101.02447	10.1
109.06561	0.9
113.02438	4.7
119.03482	1.8
123.08113	1.2
125.02429	2.4
125.09705	4.3
127.11302	1.2
127.67619	0.7
130.33539	0.7
131.03606	0.8
135.04536	0.9
142.02736	0.8
143.03444	1.0
150.34087	0.8
152.99588	2.4
161.02423	1.3
161.04530	2.3
163.11310	5.9
171.10286	7.3
179.05658	1.7
179.10837	0.9
181.10860	0.9
181.12340	13.6
182.12720	0.8
197.11754	2.2
199.13394	16.9
207.10258	34.1
208.10614	1.5
221.06566	4.0
223.13248	1.0
225.11310	47.6
226.11635	2.5
235.08110	1.8
243.12360	15.4
255.23291	32.5
256.23523	1.3
262.91159	0.7
277.21655	1.5
343.25632	0.7
379.12460	1.8
397.13425	5.7
415.14545	2.1
449.96854	0.8
605.24292	3.5
623.25378	5.2
861.48486	13.0
862.48383	2.0
879.49554	100.0
880.49731	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	879.4956
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	9.8
69.03448	2.9
71.01378	29.9
72.99315	2.9
73.02943	4.9
78.95944	2.9
83.01406	3.2
83.89619	2.0
85.02952	3.7
87.00882	6.7
89.02446	21.8
95.01431	2.1
97.02958	4.8
98.19872	6.4
99.00888	3.4
101.02437	20.1
109.06613	4.4
112.97009	2.2
113.02473	10.1
116.92787	2.0
118.23261	2.0
119.03517	4.4
125.02441	11.0
127.11347	3.5
137.02374	2.2
161.04533	6.8
163.11238	4.9
168.35985	2.1
171.10269	100.0
172.10553	2.7
179.05562	4.0
181.12344	2.3
197.11816	7.9
207.10304	11.2
221.06653	5.3
225.11340	38.6
235.08220	5.4
243.12442	11.0
255.23299	72.3
256.23648	9.9
277.21652	2.9
287.07669	3.3
293.50296	2.3
305.08902	3.2
338.12704	2.3
379.12479	24.3
397.13541	51.0
415.14462	9.5
551.23279	7.8
552.23291	2.3
569.24530	7.9
605.24194	5.8
606.22986	2.2
623.25238	7.1
635.36414	4.9
653.37512	4.7
861.48383	8.6
879.48743	27.9
880.49823	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	877.4798
Annotation	Unknow
Peak:m/z	Relative Intensity
61.53841	0.8
61.98816	3.5
69.03449	3.6
71.01382	13.2
71.04992	1.6
72.99305	1.4
73.02943	2.4
78.95923	1.4
83.01380	1.8
85.02957	2.2
87.00877	1.9
89.02443	8.7
95.01369	1.6
97.02964	2.0
97.06582	0.9
98.19861	2.0
101.02431	9.7
102.57830	0.7
112.88679	0.7
113.02425	3.2
115.26599	1.1
116.92828	1.7
119.03462	1.8
123.08165	1.4
125.02433	2.0
125.09692	2.5
131.37823	0.9
143.03450	1.0
151.11276	2.0
161.09686	3.2
169.12230	1.5
171.10307	1.1
175.72218	1.1
179.05504	0.9
179.10728	5.4
197.11823	34.7
197.97629	0.7
198.12189	1.7
223.09680	1.8
229.00490	1.0
235.08000	0.9
241.10806	1.6
255.23277	43.5
256.23618	3.4
277.21609	1.1
350.98557	0.8
397.13400	3.0
561.65753	1.0
590.15472	0.9
830.68414	1.0
877.47980	100.0
878.48218	20.8
878.62305	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.4802
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	1.5
69.03452	3.9
69.19886	2.1
69.20311	1.3
71.01382	13.7
71.01782	0.7
71.05034	1.6
72.99318	1.2
73.02938	2.2
81.03472	0.7
81.42632	0.4
83.01412	1.8
85.02956	2.9
87.00888	1.7
89.02447	8.6
95.01386	0.9
95.05041	0.6
96.96028	0.4
97.02940	2.0
97.06572	0.5
98.20659	0.8
99.00861	1.0
100.31963	0.3
101.02439	9.1
111.04588	0.5
111.89179	0.3
113.02436	3.8
116.92948	0.4
119.03497	2.0
121.02924	0.4
123.08197	1.1
125.02457	1.6
125.09703	1.3
131.03535	0.4
135.04520	0.8
137.09682	0.6
140.83990	0.3
141.02037	0.4
143.03487	0.7
151.11292	1.7
153.12846	1.4
161.02435	0.3
161.04564	0.8
161.09769	2.2
169.12283	0.4
171.10313	0.6
179.05595	0.7
179.09349	0.5
179.10786	4.4
180.11127	0.3
197.11826	56.5
198.12187	2.1
221.06561	1.8
223.09781	1.7
235.08197	1.1
239.28601	0.3
241.10779	3.2
255.23291	27.6
256.23700	1.7
287.07825	0.4
379.12289	0.4
397.13486	2.8
415.14432	0.8
420.15390	0.3
434.52792	0.3
464.02509	0.4
621.24115	0.8
639.25201	0.7
859.46735	0.7
877.47998	100.0
878.48334	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.5015
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
68.99566	0.2
72.04196	0.2
78.95915	0.4
89.03963	0.4
95.05025	0.2
96.96009	0.2
98.20657	0.6
105.03471	3.0
108.87221	0.2
109.02985	1.0
116.92845	1.4
123.04600	0.2
133.02951	2.3
148.01701	0.8
149.02464	1.7
177.01920	3.9
182.49928	0.2
209.04573	3.9
221.40643	0.2
343.24197	0.3
351.11533	0.2
357.89966	0.2
598.21588	0.2
621.27057	0.3
797.28351	0.4
829.30798	4.9
873.48682	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	69.9
69.89079	11.5
75.00874	3.1
76.90215	2.4
77.03982	2.7
78.91876	11.8
78.95909	6.5
80.91658	2.3
81.03471	6.4
87.77264	2.5
88.98801	2.5
89.03976	8.7
95.05056	3.8
96.96010	5.5
104.02711	3.3
105.03461	77.6
109.02955	21.4
110.30840	2.4
111.46646	2.2
116.92883	7.8
121.02983	9.8
123.04549	4.2
133.02963	49.5
148.01651	14.8
149.02449	33.7
177.01930	98.2
178.02243	2.8
179.03490	3.3
180.70520	3.2
193.78513	2.6
209.04553	94.0
210.04878	4.8
211.08820	2.8
237.69600	2.6
260.50055	2.5
277.21667	3.8
291.19904	2.5
294.46671	2.3
310.92999	2.6
327.91077	2.7
356.73428	2.5
522.21332	3.2
526.67706	2.8
621.26575	2.8
641.69781	3.0
797.28125	8.2
829.30835	100.0
830.31464	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	872.4645
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
68.99032	0.2
71.01389	0.3
71.52834	0.2
74.16635	0.2
78.95898	0.3
89.02473	0.2
116.92918	0.2
144.63397	0.2
151.28741	0.2
168.43361	0.2
171.10359	0.2
249.18701	0.3
277.21835	0.3
338.99524	0.2
566.97705	0.2
659.15997	0.2
815.76282	0.2
873.45306	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02390	0.7
65.00330	1.2
68.94256	0.4
69.42625	2.6
82.97883	0.4
83.01411	0.4
93.03452	0.4
107.01394	2.0
117.03465	7.3
119.05035	1.6
125.02438	0.4
132.02173	1.5
133.01480	0.4
135.00894	1.2
145.02950	14.9
146.03387	0.4
151.00383	3.3
152.01096	0.5
159.04510	0.9
161.06163	0.4
163.00381	1.1
163.04015	1.2
164.01152	1.0
178.99809	0.9
183.04471	1.3
185.06068	0.5
187.04044	0.7
190.99915	0.5
199.03944	0.6
211.03963	2.3
212.04814	0.6
213.05504	0.5
227.03494	41.3
228.03810	2.7
229.05026	1.2
239.03508	1.3
255.02982	80.5
256.03534	10.0
257.04510	2.0
281.04584	0.5
283.02444	2.3
284.03253	100.0
285.03900	18.0
286.04248	0.9
309.03958	0.6
330.83212	0.4
575.13983	0.8
707.18134	4.5
708.18530	0.6
725.19281	9.6
726.19623	1.4
871.22992	37.3
872.23090	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	871.4329
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	84.0
69.03454	3.6
71.01377	19.0
71.04993	1.7
72.99297	2.1
73.02929	3.0
78.95907	1.7
83.01402	1.3
83.05017	1.2
83.38533	1.0
85.02934	3.3
87.00864	4.0
88.98814	1.6
89.02446	10.9
94.20918	1.2
97.02919	2.7
98.19898	3.6
99.00886	2.0
99.92559	1.4
101.02437	9.8
111.11986	1.2
113.02433	4.5
114.25085	1.3
115.09611	1.2
116.92870	3.7
119.03511	2.3
121.06449	1.2
123.08192	1.9
125.02435	3.6
125.09698	2.4
133.52345	1.3
147.58846	1.4
151.11247	2.1
161.04504	2.5
161.09703	2.5
169.12286	1.4
176.04915	1.3
177.01978	2.3
179.10780	3.8
197.11826	67.2
198.12102	2.8
221.06586	2.7
235.08243	2.1
241.10829	3.7
249.18593	16.6
288.61557	1.2
307.67212	1.4
397.13385	2.5
479.15753	1.2
639.25220	1.9
871.43268	100.0
872.43652	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	870.4483
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98531	0.1
63.15092	0.1
71.01376	0.1
96.96016	0.3
116.92889	0.2
265.14761	0.2
277.21878	0.3
309.20810	0.1
340.77463	0.1
367.59467	0.1
378.43430	0.1
381.56253	0.1
396.09106	0.1
572.57843	0.1
649.90363	0.1
771.04150	0.1
870.45789	0.1
871.44562	0.2
878.94220	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	870.4698
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
69.41587	1.0
71.01386	0.2
74.67567	0.2
74.92999	0.1
76.04543	0.1
78.95921	0.5
82.75858	0.2
83.02175	0.2
99.58051	0.1
115.83530	0.1
152.99617	0.3
164.56760	0.1
164.71405	0.1
171.10275	0.4
172.10596	0.3
200.29500	0.1
218.32491	0.1
255.23370	0.4
258.43311	0.2
358.28638	0.1
377.03644	0.2
399.13760	0.1
472.55139	0.2
573.24585	0.2
653.25873	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.4494
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
62.98552	0.2
71.01398	0.3
78.95911	0.2
91.01230	0.1
96.96021	0.2
101.02441	0.1
116.92905	0.2
128.51843	0.1
133.01590	0.2
137.02490	0.2
148.12660	0.1
209.11911	0.1
249.18637	0.2
255.23328	0.2
277.21875	0.5
310.70352	0.2
327.11819	0.2
357.09961	0.2
393.67926	0.2
498.52597	0.2
534.90869	0.1
597.76056	0.2
629.90497	0.2
853.40454	0.7
870.46204	0.3
871.42316	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.4342
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
67.73756	0.2
71.01382	0.3
75.83012	0.2
78.95943	0.2
79.33092	0.2
80.96533	0.3
112.98612	0.2
116.92891	0.2
137.48836	0.2
209.11897	0.3
210.11995	0.2
245.19167	0.2
277.21780	0.2
289.18127	0.3
290.18484	0.2
307.19128	0.3
308.19577	0.2
569.28174	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.5064
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
70.07673	0.7
78.95930	0.1
80.96510	0.7
94.98101	0.2
116.92877	0.2
134.40349	0.2
145.20084	0.2
154.83250	0.2
164.98662	0.2
226.22572	0.2
274.11963	0.2
411.36859	0.2
453.61749	0.2
653.35492	0.2
716.26849	0.2
775.46362	0.2
798.36023	0.2
868.51508	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4967
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99311	1.9
61.98834	4.4
71.01383	13.5
72.99320	1.0
73.02943	2.8
78.05511	0.7
78.95885	1.5
83.01388	1.9
85.02949	3.2
87.00900	4.0
88.98817	10.1
89.02442	15.8
95.01384	1.7
97.02933	3.5
98.20652	2.2
99.00875	1.0
101.02428	10.2
113.02462	7.1
116.92840	3.1
119.03467	3.3
125.02452	7.0
125.09708	1.2
125.87037	0.9
127.11342	1.6
143.03514	1.6
153.09245	0.9
161.04552	4.2
167.03482	1.0
171.10265	100.0
172.10635	3.8
179.05550	3.7
199.06099	1.0
213.11214	0.9
217.07076	1.5
221.06709	1.1
229.06825	1.0
235.08199	5.3
255.23286	53.1
256.23563	3.4
259.08102	1.3
277.21692	2.4
287.07806	1.5
305.08716	2.9
323.10004	0.9
379.12436	19.2
397.13486	37.2
398.13898	2.5
415.14484	8.1
551.23383	5.6
569.24530	4.8
635.36176	2.6
653.37433	3.1
654.37897	1.1
903.25244	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4744
Annotation	Unknow
Peak:m/z	Relative Intensity
60.78072	5.5
61.98828	100.0
71.01390	27.5
71.52513	6.6
78.95895	9.8
81.03465	4.8
82.32712	5.4
83.01379	6.4
83.05009	5.5
85.02955	9.9
87.00894	6.6
88.98777	7.7
89.02456	16.8
95.05032	6.9
97.02950	9.9
97.06598	18.5
101.02437	17.7
109.06528	6.3
111.08163	19.6
113.02460	12.4
116.92876	30.5
119.03458	6.3
125.09783	8.2
161.04424	6.0
163.11310	15.1
163.50816	5.4
165.12885	6.5
169.08693	25.1
169.12300	7.9
179.05585	7.0
181.12270	13.0
183.10365	8.4
185.11858	6.9
191.14404	11.9
197.11812	66.8
209.11819	77.5
210.11938	5.5
211.13351	11.4
217.15944	18.8
218.39563	6.7
235.08174	16.0
235.17000	8.1
245.19051	15.7
253.09283	58.9
261.14948	33.6
263.16663	10.8
263.20163	18.6
275.12424	6.1
277.21744	35.3
279.16086	31.8
281.17648	55.2
283.70865	5.6
289.18152	77.9
290.18390	7.1
291.19708	29.8
307.19162	98.5
308.19586	8.6
309.20715	91.8
310.21005	5.7
330.98447	5.3
370.07367	6.7
397.13623	17.6
445.20813	7.5
532.04858	6.6
543.28070	11.0
594.61371	6.1
758.95398	5.6
823.47760	6.5
867.44647	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	866.4468
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	100.0
68.59908	6.0
70.74242	18.8
71.01385	15.4
78.95896	8.1
86.20390	6.4
96.96005	14.0
99.90131	7.1
115.99780	6.5
117.69653	6.7
151.06396	7.4
152.07104	13.7
175.06386	24.2
183.10330	14.5
184.28682	8.5
211.13399	86.6
212.13544	8.2
219.09032	15.1
249.18666	35.7
272.13028	20.3
277.21512	14.5
316.15616	18.3
393.93536	7.5
414.93689	7.3
447.22382	19.0
679.40936	32.2
830.47168	53.5
856.38898	8.7
875.41669	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	866.4914
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
66.88544	0.3
71.01402	0.7
71.61762	0.2
78.39616	0.3
78.95899	0.3
78.98586	0.7
79.95746	1.2
80.96513	5.7
80.96960	0.4
94.98100	1.3
101.02468	0.3
122.97655	0.3
134.97536	0.4
152.98630	0.4
164.98619	0.7
200.01247	0.2
225.00735	1.5
226.00987	0.3
423.16168	0.3
776.48944	0.3
866.50061	5.6
867.50665	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	867.3655
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98811	1.6
63.57759	0.5
69.03449	1.6
69.77293	2.3
71.01381	23.2
72.99314	1.2
73.02943	24.9
75.00846	0.7
81.03468	0.9
83.01379	8.2
85.02957	4.9
87.00865	2.6
89.02435	3.9
91.05504	0.6
93.03436	0.5
95.01346	0.7
96.95981	0.9
97.02946	1.6
97.63165	0.4
99.00858	1.2
101.02437	33.9
102.02760	0.5
107.05047	1.1
113.02440	10.5
118.56182	0.5
119.03512	3.0
123.08112	0.6
125.02455	5.1
127.04044	0.6
131.03510	4.9
135.04524	9.3
136.04846	0.7
137.02388	0.6
143.03499	5.1
149.04546	5.5
155.03461	1.1
159.02982	0.8
161.02507	0.6
161.04538	13.8
161.76013	0.5
171.42755	0.4
191.05484	0.7
203.05612	9.5
221.06639	16.0
222.06970	0.7
263.07684	11.0
264.08157	0.7
305.08752	11.5
306.09033	0.7
319.15536	0.7
371.25870	100.0
372.26193	12.1
381.15704	0.5
385.27307	5.1
386.27451	0.7
395.26019	1.1
413.26929	7.0
443.27917	1.1
455.27917	0.7
575.32306	1.0
617.32843	2.3
618.34589	0.6
619.38409	1.3
733.15887	0.5
825.47052	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.4593
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	5.9
69.03461	2.8
71.01382	13.7
71.52964	2.2
73.02975	2.2
78.95909	2.0
79.95735	5.1
81.03458	4.2
83.01392	4.3
83.05025	5.3
85.02955	3.5
87.00879	1.8
89.02442	6.3
95.05037	6.3
96.96008	9.3
97.02957	6.4
97.06583	17.3
101.02446	11.9
109.06599	2.6
110.03734	1.4
111.08143	2.8
113.02434	5.5
119.08667	2.3
121.06558	3.3
123.04523	4.1
123.08132	2.5
125.09731	5.9
126.29858	1.8
127.47641	1.5
133.06630	2.1
135.08144	5.2
137.06122	2.6
137.09737	6.9
139.07654	2.7
141.12747	1.6
147.08063	1.7
149.09738	2.0
157.08705	1.6
161.04515	4.1
161.09709	1.9
163.07628	6.6
163.11279	19.4
165.12830	2.0
167.00204	3.3
171.10228	3.5
175.11273	2.4
181.08678	5.9
181.12344	3.2
181.61586	1.8
185.11841	13.1
189.12790	3.1
191.14397	10.7
207.10263	7.0
209.11806	36.3
210.12181	5.6
211.25343	1.8
217.15964	31.9
218.16338	2.3
225.11293	3.6
227.12668	2.0
235.08160	4.8
235.16942	3.4
237.11349	4.8
242.75566	1.5
243.13908	5.5
245.19064	18.0
247.16997	1.8
253.09250	26.1
255.05476	4.0
255.23248	5.0
256.23651	4.1
258.44403	1.7
261.14963	35.1
263.20197	3.9
271.16928	2.0
279.12943	2.2
279.16010	33.8
280.16385	2.7
289.18079	100.0
290.18555	8.8
293.49191	1.7
307.19162	79.6
308.19431	6.8
308.75546	1.8
325.18292	15.3
343.10483	2.3
397.13681	3.5
398.14072	1.9
399.13748	1.6
415.14359	2.2
471.27792	2.1
503.62930	1.6
543.28186	2.1
865.40436	10.6
866.40631	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	863.5003
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	2.7
63.82695	0.3
69.03455	0.8
69.93865	1.7
71.01380	13.7
72.99297	1.0
73.02962	1.8
75.86118	0.3
76.34492	0.3
77.91660	0.3
78.95898	0.7
80.02681	1.2
80.96527	0.5
81.03464	2.3
83.01387	1.6
83.04569	0.5
83.05029	5.9
84.02139	0.7
85.02939	2.6
87.00883	4.0
88.98769	0.5
89.02448	12.0
93.03429	0.5
94.98091	0.4
95.01372	1.1
95.05024	0.8
97.02946	2.4
98.20663	0.4
99.00879	0.8
99.92564	0.5
101.02443	10.6
102.02769	0.4
107.05087	0.3
111.04526	0.6
113.02461	6.2
115.04002	0.3
116.92873	0.4
119.02943	0.3
119.03529	3.2
125.02446	5.8
125.06053	0.7
131.03455	0.6
133.05069	0.4
134.34799	0.4
135.04523	0.7
135.08179	0.6
135.38672	0.4
139.03998	0.4
141.01820	1.0
143.03511	2.3
161.04565	2.8
163.04057	0.4
163.11287	4.1
165.12827	2.5
173.46382	0.4
179.05583	3.7
180.95226	0.4
181.12349	0.6
191.10870	0.7
209.11821	100.0
210.12131	5.0
217.07140	0.8
221.06677	1.3
227.12874	10.8
227.15135	0.5
228.13103	0.6
235.08229	4.2
236.08585	0.4
244.59200	0.3
245.06679	0.4
251.12930	0.8
253.09293	1.4
255.23286	43.2
256.23651	3.6
269.24716	0.6
277.21771	1.0
287.07672	1.8
305.08759	1.8
323.09653	0.8
379.07758	0.3
379.12415	7.1
380.12689	0.6
388.64767	0.4
397.13489	30.9
398.13922	2.4
415.14615	7.2
416.14978	0.5
589.25342	0.8
607.26056	1.3
653.37988	0.8
720.34705	0.4
863.49579	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5004
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	1.9
66.13887	0.3
69.03461	0.8
70.58492	0.7
71.01384	16.3
72.99302	0.9
73.02950	2.2
75.00867	0.6
78.95906	0.5
79.95753	0.3
80.02673	1.2
80.96499	0.4
81.00910	0.3
81.03465	1.9
83.01388	1.6
83.05026	5.1
84.02145	1.0
85.02955	3.7
87.00877	4.6
88.98824	0.8
89.02443	12.4
91.04002	0.4
95.01392	1.4
95.05023	1.0
95.12147	0.3
97.02969	2.2
99.00866	0.8
99.04507	0.4
101.01791	0.7
101.02441	10.4
109.06567	0.6
111.00878	0.5
111.04510	0.7
113.02456	6.5
115.85176	0.3
116.92873	0.5
119.03516	3.3
121.02866	0.3
125.02454	5.1
125.06081	0.5
131.03555	0.6
133.05083	0.4
135.04518	0.3
135.08191	0.6
139.04028	0.4
143.03522	1.9
143.59023	0.3
153.12914	0.4
161.02437	0.5
161.04541	2.4
163.11293	4.9
165.12839	2.3
179.05611	4.0
181.12334	1.0
191.10788	1.1
207.10304	0.4
209.11821	100.0
210.12164	5.3
217.07140	0.8
221.06625	1.2
223.13405	0.4
225.11377	1.9
226.11609	1.0
227.12897	17.3
228.13205	0.9
233.11798	0.3
235.08191	4.6
239.35205	0.4
251.12778	0.6
253.09268	0.9
255.23289	45.8
256.23596	3.5
259.08087	0.7
269.24838	0.4
277.21704	0.6
283.13281	0.3
287.07703	1.7
305.08789	1.8
323.09903	0.8
370.32611	0.4
379.12482	7.3
380.12946	0.5
397.13486	32.2
398.13898	2.3
415.14551	6.9
545.73181	0.3
553.28015	0.3
589.25146	0.9
607.25854	2.1
625.26990	0.6
635.36975	0.4
653.37836	0.9
695.14020	0.4
808.70868	0.4
863.48975	1.1
864.48859	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.4829
Annotation	Unknow
Peak:m/z	Relative Intensity
60.13900	0.5
61.98825	1.6
63.96236	2.5
69.03442	0.8
69.59081	2.1
69.59509	2.0
71.01382	9.0
72.99308	0.8
73.02962	2.0
78.95898	4.6
78.98595	6.5
79.95737	18.6
80.96516	78.7
81.03442	0.8
81.95333	0.6
82.96097	2.4
85.02953	3.5
87.00878	3.2
94.98087	16.3
96.95989	1.8
97.02934	2.2
101.02447	2.6
102.74583	0.6
106.98077	2.1
122.97580	3.3
125.02451	3.3
127.03998	1.0
134.97586	5.7
136.99139	1.2
148.99126	6.0
152.98599	5.9
152.99585	0.7
162.35303	0.7
164.98627	14.0
165.46867	0.6
168.19745	0.8
170.96948	0.6
181.12401	0.6
206.99690	2.2
225.00729	19.3
226.01001	1.1
241.01067	1.1
255.23251	3.6
255.73358	0.8
269.40332	0.6
306.66949	0.6
402.80188	0.7
526.91614	0.9
537.27191	2.2
607.23926	0.8
863.48151	100.0
864.48578	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	863.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
69.50081	1.5
71.01382	13.1
72.01711	0.3
89.03978	0.9
109.20087	0.2
112.20998	0.2
115.00372	4.9
117.03465	5.1
121.02983	0.4
131.33913	0.2
133.01416	0.6
133.02933	0.3
134.03741	53.2
135.04065	2.1
137.02448	1.2
139.04044	0.3
149.06082	5.9
150.06346	0.3
178.02704	4.8
193.05049	100.0
194.05405	4.8
309.06161	3.4
310.06378	0.2
311.61362	0.2
376.48224	0.2
392.53128	0.2
494.28613	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98819	9.8
62.34925	5.5
71.01366	6.8
73.02933	7.0
83.80662	4.0
96.96000	7.8
113.02428	4.7
115.00340	9.1
121.06706	4.2
132.19655	4.8
133.01367	4.9
134.03763	6.0
148.04076	8.8
150.05580	14.4
152.07236	4.4
162.05641	5.4
211.13371	13.3
213.10449	5.2
215.08194	4.9
219.64574	5.0
237.10265	5.4
241.06204	7.9
242.07014	21.3
243.07625	13.5
252.09021	6.9
253.06264	5.7
253.09535	6.8
254.06915	12.0
255.07753	43.6
256.08362	11.5
257.09213	13.1
264.08926	8.8
265.09821	18.4
266.10641	42.8
267.11316	22.8
268.08606	9.6
269.09326	46.0
270.09958	26.3
275.07251	8.2
284.11600	10.5
285.12137	10.9
314.09015	11.3
315.13422	8.9
329.11353	9.9
343.09332	6.0
361.10272	5.6
362.11151	8.8
372.13376	23.2
376.12921	15.6
377.13834	7.4
386.15067	13.2
387.15814	29.6
388.16498	13.8
390.14395	6.7
432.15610	12.5
434.13464	7.8
449.15863	39.4
450.16577	13.4
466.43381	5.0
494.19461	46.9
519.19653	9.6
553.24078	6.6
615.24756	66.1
616.25317	10.4
698.25256	10.0
757.31274	7.5
819.30939	100.0
819.44043	3.6
820.31171	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	862.5321
Annotation	Unknow
Peak:m/z	Relative Intensity
60.65301	0.1
61.98829	100.0
62.98537	0.2
70.56937	0.5
78.95882	0.1
106.84962	0.1
108.66782	0.1
213.30594	0.1
250.61055	0.1
283.08463	0.1
669.96210	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4849
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	4.7
64.03142	0.4
69.03457	1.7
71.01383	20.3
71.94231	0.4
72.24496	0.5
72.99310	2.2
73.02957	3.4
75.00860	0.8
78.95896	0.6
80.02677	0.9
81.03443	3.7
83.01376	2.5
83.05019	3.5
85.02943	5.6
87.00884	5.3
89.02444	18.1
93.03454	0.8
95.01392	2.3
95.05028	0.5
97.02946	11.0
97.06609	0.5
99.00867	3.0
101.02438	15.3
106.04266	0.7
107.05013	1.1
109.02934	0.6
109.06590	34.9
110.03749	2.2
110.06923	0.9
111.00844	0.7
111.04483	1.0
113.02450	8.5
116.92817	0.7
119.03512	4.4
121.02971	0.5
121.06625	2.2
123.04486	1.1
125.02439	6.8
125.09668	0.8
129.01863	0.5
131.03537	1.1
135.08170	4.3
136.05280	1.6
139.04008	1.0
141.01945	1.5
142.02693	2.9
143.03525	3.3
145.10217	0.8
151.07657	0.7
154.65271	0.5
161.04578	3.4
161.09717	1.4
163.11290	20.8
164.11600	1.3
167.49136	0.5
179.05591	5.2
179.10762	0.9
180.05922	0.5
181.12326	5.5
189.09210	2.5
207.10249	100.0
208.10590	4.9
209.11823	2.4
217.06929	0.5
221.06644	3.7
221.11844	0.6
222.12170	0.5
225.11313	41.8
226.11653	2.5
235.08221	4.9
243.12341	2.4
245.06599	0.6
253.09285	1.1
255.23282	56.6
256.23560	4.0
259.08310	0.6
269.24988	0.8
277.21744	1.4
281.13928	0.9
287.07727	1.6
299.14999	1.0
305.08652	2.8
315.14722	0.5
323.09875	1.4
379.12430	8.9
380.12909	0.8
387.37863	0.5
397.13474	35.8
398.13809	2.6
415.14590	11.8
419.35263	0.7
443.18991	0.7
480.29532	0.5
587.23334	1.8
605.24420	7.9
606.24652	0.7
623.25500	7.4
624.25702	1.3
635.36725	1.1
653.36975	1.6
843.47528	1.4
861.48492	51.8
862.48767	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	860.5164
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
72.50632	0.2
78.95930	0.5
80.96527	0.4
83.22247	0.2
122.97610	0.4
219.54680	0.2
256.52057	0.3
649.74066	0.3
860.54352	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4675
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	4.2
63.96213	2.5
66.55374	1.1
71.01380	10.8
73.02948	1.1
78.95924	2.3
78.98598	7.9
79.95736	22.9
80.96517	100.0
81.03467	1.0
85.02943	3.9
87.00866	2.2
94.98085	20.2
96.95992	3.5
101.02443	3.4
106.98077	3.9
111.50192	1.1
122.97546	5.2
125.02430	4.2
127.04023	1.3
134.97592	7.8
136.99110	2.0
148.99132	8.3
152.98608	8.0
164.98633	14.5
196.89487	1.6
206.99709	2.1
217.89754	1.1
225.00746	22.0
228.13248	1.0
255.23289	2.8
434.04736	1.1
547.24701	1.1
861.46790	95.1
862.47137	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	860.4655
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	24.0
69.19731	3.7
71.01009	0.8
71.01385	13.4
72.39580	0.4
72.99307	0.7
73.02948	1.4
80.94769	0.4
83.01379	1.6
85.02959	3.7
87.00852	0.4
89.01933	0.7
89.02449	10.1
95.01375	0.8
99.00879	0.7
101.02442	9.0
113.02476	4.0
116.92846	0.5
119.03515	3.2
143.03450	0.6
161.04521	0.5
183.10147	0.4
190.97685	0.4
209.66826	0.4
211.13361	1.1
316.15384	0.7
400.88428	0.4
454.91254	0.5
455.35526	0.5
472.13306	0.4
617.40741	4.7
618.40656	0.7
635.41644	1.9
797.46924	100.0
798.47247	22.1
860.44659	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	858.4852
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98536	0.2
63.99246	0.2
71.01380	0.2
74.04678	0.1
78.95914	0.6
88.98841	0.3
89.65530	0.2
91.23299	0.1
99.92595	0.3
116.92864	2.7
117.92859	0.8
152.99591	0.3
159.04486	0.3
207.10362	0.3
211.13533	0.2
225.11285	0.2
254.05939	0.2
255.23276	0.2
277.21683	0.7
279.23285	0.2
397.13480	0.2
858.45935	0.2
859.47546	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	858.4864
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
63.99268	0.2
67.59064	0.1
71.01388	0.4
71.49825	0.1
71.51128	0.2
71.51489	0.1
78.95924	0.3
89.02455	0.2
97.03011	0.2
100.06368	0.1
101.02444	0.3
107.05052	0.3
109.06635	0.4
113.02422	0.2
113.09719	0.7
116.92890	0.9
121.02975	0.3
133.02986	0.3
135.04543	0.8
144.92604	0.1
152.07184	0.2
159.04555	0.3
161.72421	0.1
177.02042	0.2
180.49908	0.1
180.78493	0.1
183.14061	0.2
188.25591	0.2
207.10251	0.8
211.13423	1.2
225.11369	0.4
235.08275	0.2
251.20204	0.4
253.09283	0.2
273.22156	0.2
277.21680	1.2
278.22076	0.2
317.21283	1.1
318.21332	0.7
397.13638	0.4
498.83182	0.2
601.26337	0.2
858.44928	0.7
859.46222	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	858.28
Annotation	Unknow
Peak:m/z	Relative Intensity
60.36563	0.4
71.01382	18.6
71.47076	0.4
71.51797	0.7
72.99310	1.6
73.02949	4.1
83.01407	1.4
83.05036	0.7
83.74172	0.5
87.00889	0.5
89.02462	2.5
89.03986	1.2
90.99236	0.5
101.02449	3.8
113.02460	0.8
115.00381	32.3
117.03461	2.7
133.01434	81.4
134.01726	2.2
134.03743	76.2
135.04112	2.1
138.05658	1.3
149.04608	0.6
149.04794	0.7
149.06081	5.1
161.04573	1.7
171.81140	0.5
178.02690	1.4
178.39494	0.5
179.84981	0.5
193.05054	100.0
194.05411	5.6
214.08664	1.4
221.06671	0.7
222.14600	0.5
300.16058	7.6
301.16309	0.8
309.06131	7.9
310.42847	0.5
341.59271	0.5
736.36835	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.4691
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
71.01392	0.2
71.36471	0.4
78.94353	0.2
78.95912	1.0
80.96497	0.3
88.31712	0.2
88.98814	0.5
107.96250	0.2
116.92852	0.5
152.99657	0.4
176.01114	0.2
266.57532	0.2
277.21762	0.5
409.24124	0.3
484.29114	0.2
528.39539	0.2
686.48749	0.3
803.85852	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.4698
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98545	0.2
62.99281	0.1
63.63456	0.1
66.10815	0.1
69.57265	0.1
74.48454	0.2
78.84096	0.1
78.95916	0.5
81.92756	0.1
88.98788	0.1
116.92864	1.0
118.46577	0.1
123.04534	0.1
131.03128	0.1
152.99612	0.2
277.21814	0.7
278.21994	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	0.8
62.74009	0.4
67.50821	0.4
67.66958	0.4
68.65342	0.5
69.03457	0.6
71.01380	20.5
71.52928	0.5
71.53307	0.6
72.99295	1.5
73.02934	3.7
81.03472	0.4
83.01389	2.3
85.02947	6.5
87.00892	2.6
89.02444	17.8
95.01399	2.1
96.96021	1.2
99.00893	1.2
101.01799	0.9
101.02447	14.8
107.05005	1.7
113.02449	15.4
115.00355	0.8
119.03496	8.7
119.04941	0.5
121.02895	0.5
123.04475	1.0
125.02441	1.3
131.03517	3.8
134.03716	0.4
135.04523	14.0
136.04866	0.5
137.02498	0.8
143.03514	3.7
148.04068	0.5
149.04596	0.6
150.05589	0.6
151.04019	2.8
159.03006	0.7
161.04538	11.0
163.04050	0.6
174.04352	0.6
177.01891	1.4
179.05608	25.9
180.05943	0.7
190.07498	0.5
209.04485	0.7
221.06648	11.5
232.08630	0.6
245.06703	0.4
247.04329	0.8
263.07709	16.6
264.08081	0.9
277.10794	3.2
281.08701	0.5
321.09631	1.7
329.12796	0.5
424.94189	0.6
447.31134	100.0
448.31454	13.4
461.32852	4.1
468.16144	0.5
473.34219	0.5
489.32092	3.5
490.32254	0.7
500.21378	0.6
535.30756	0.8
553.13715	1.1
609.35541	1.0
651.37653	1.5
662.25757	1.4
811.49945	0.6
813.43311	0.8
857.45892	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.5109
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
71.01386	4.7
71.51208	2.5
71.63425	1.2
78.95911	6.5
83.01394	1.4
85.02958	5.9
85.45379	1.4
88.98848	1.6
89.02417	2.6
90.39587	1.4
96.95445	1.3
96.96017	5.2
96.96965	2.4
97.02961	1.3
101.02409	2.9
103.13721	1.3
116.92899	2.9
137.09712	2.3
152.99565	2.3
161.04631	2.1
171.10271	18.3
211.13353	3.6
229.14279	2.2
235.08321	1.6
241.01241	3.0
249.18622	19.7
250.18910	1.3
253.09280	10.4
255.23247	1.7
277.21732	6.1
309.20718	8.5
311.16983	1.7
313.16913	2.8
314.16623	1.8
320.12515	1.4
327.21738	29.2
328.22037	3.1
536.40118	1.4
545.29608	2.2
563.30420	3.4
855.41980	4.8
856.43866	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.5104
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.18650	1.0
69.35971	1.0
71.01388	5.5
71.52041	1.7
71.57690	1.2
73.02975	1.2
78.95889	3.4
79.95751	1.3
80.50809	1.0
80.96524	1.9
85.02950	2.0
85.31871	1.0
87.00869	1.9
88.98816	1.8
89.02425	3.3
96.96015	2.2
96.96958	1.2
97.02953	1.7
99.92577	1.2
101.02418	4.9
105.51640	1.0
106.98145	1.2
110.24575	1.1
113.02429	2.3
114.93426	2.1
116.92865	3.1
119.03480	1.5
137.02437	3.8
152.99542	1.5
157.06329	1.2
161.04546	1.5
169.12354	1.4
188.46741	1.2
197.11812	22.9
235.08125	6.1
253.09335	5.1
277.21735	37.8
278.22034	3.7
281.17502	1.3
299.18701	6.0
313.10751	2.1
379.12857	1.4
397.13620	8.2
415.14529	3.2
631.27020	1.2
655.18329	1.2
855.41547	6.4
856.42444	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98537	1.9
61.98833	23.6
69.03433	2.1
71.01009	2.1
71.01378	26.3
72.99312	2.1
73.02917	3.9
78.95901	3.0
81.03432	3.3
83.01371	2.7
83.05035	2.4
85.02936	5.9
86.70390	1.2
87.00890	5.9
89.02448	21.7
95.01369	1.9
97.02942	11.9
99.00876	2.0
101.02445	13.0
109.06596	33.7
109.07351	1.6
110.03708	1.2
111.04498	1.8
113.02446	10.7
116.92876	1.7
119.03487	4.1
121.06560	3.0
123.04525	1.5
125.02416	7.4
135.08203	6.3
136.05309	2.0
141.01917	1.6
142.02777	2.0
143.03487	3.1
161.04535	2.6
161.09663	2.0
163.11292	17.5
166.44598	1.2
179.05605	4.1
181.12303	4.4
189.09160	1.5
189.89609	1.2
207.10255	100.0
208.10625	6.3
209.11859	3.6
221.06787	1.7
225.11314	46.6
226.11633	2.2
227.26347	1.5
229.33514	1.7
235.08228	5.5
243.12202	2.0
249.18591	42.7
250.18901	4.1
253.09117	2.2
274.98325	1.3
277.21674	3.4
287.07758	2.3
305.09119	1.6
379.12347	5.0
397.13544	36.5
398.13736	2.5
415.14587	14.6
552.67987	1.4
605.24426	6.8
623.25458	8.8
775.17273	1.3
855.43842	48.7
856.44257	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	855.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
69.24328	6.4
69.24743	3.3
71.01377	14.1
71.58778	1.0
72.99277	1.4
73.02946	5.1
83.01403	2.6
85.02957	7.3
87.00877	2.4
89.02448	3.6
95.01354	1.5
99.00928	1.5
101.02451	8.1
110.72816	0.9
111.00862	1.6
113.02460	3.4
121.02962	3.8
135.04489	1.3
153.82619	1.1
159.04559	2.0
163.48019	1.1
194.02747	1.2
235.53697	1.3
255.06653	2.6
263.07214	1.7
265.08838	1.9
267.06650	1.8
268.07449	3.3
269.08273	4.8
281.08215	8.1
282.08884	4.1
283.09686	4.6
284.10193	1.1
293.07874	1.3
295.09747	2.0
296.10382	2.0
299.09222	3.7
311.09360	1.8
314.08270	1.6
314.11292	5.1
315.12119	2.9
326.11517	8.9
327.12320	6.1
329.13956	11.4
341.13846	10.1
343.11887	3.1
355.11902	3.2
369.13477	2.0
458.16077	9.6
470.15741	7.3
473.18326	24.6
474.18735	2.6
476.16901	8.8
477.16663	1.3
485.18146	23.9
486.18542	2.5
488.16803	6.7
491.19202	36.4
492.19409	3.8
503.19214	36.0
504.19635	4.9
515.19519	1.2
521.20227	3.6
527.19116	2.8
533.20282	100.0
534.20605	14.3
545.20288	87.5
546.20593	12.0
563.21381	21.4
564.21826	2.5
571.38721	1.1
575.21271	8.7
587.21271	8.2
588.21527	1.3
592.21149	1.1
605.22491	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	853.4593
Annotation	Rivaloside C
Peak:m/z	Relative Intensity
61.98835	4.7
69.03444	0.7
70.46951	0.3
71.01382	27.6
71.52018	0.8
72.99301	1.4
73.02604	0.5
73.02954	5.5
75.00854	0.5
75.78361	0.3
77.06323	0.4
77.34832	0.4
78.54465	0.3
83.01376	2.7
85.02951	10.4
86.00078	0.8
87.00884	4.3
89.02444	22.3
95.01388	3.5
96.95995	0.7
97.02949	1.1
99.00890	1.9
101.02447	19.2
102.02804	0.5
113.02450	21.3
114.02752	0.6
119.03510	8.5
123.33170	0.4
125.02448	2.2
131.03514	5.5
132.86444	0.4
133.01413	0.5
135.04488	1.1
143.03510	5.4
149.04527	1.2
152.30171	0.4
159.02995	0.9
161.04553	15.1
179.05611	36.4
180.05933	0.7
203.05548	0.9
221.06664	19.1
222.07068	0.6
245.55319	0.4
263.07709	26.7
264.08032	1.4
281.08774	1.0
295.35217	0.4
305.08743	1.2
324.85352	0.4
365.10983	1.2
383.12042	0.6
445.33127	0.4
469.33249	7.2
470.33673	0.9
472.75323	0.4
487.34280	100.0
488.34610	13.8
488.41791	0.8
501.35886	0.9
529.35260	15.5
529.43243	0.8
530.35663	2.9
559.36108	3.2
560.36639	0.7
589.37677	2.0
631.38531	1.3
649.39807	0.9
673.40039	1.0
691.40613	16.1
692.40619	3.1
733.42023	0.6
793.42963	0.6
811.46301	1.4
824.54877	0.4
853.45886	8.5
854.46393	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4594
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01719	0.7
61.98827	6.8
69.03445	1.9
71.01381	28.7
71.53174	1.0
72.01711	0.7
72.99297	2.1
73.02946	24.0
74.03255	0.7
75.00856	1.0
78.53314	0.6
81.03465	0.8
83.01385	9.6
84.01694	0.8
85.02950	8.6
86.00072	0.8
87.00869	4.3
88.64101	0.6
89.02431	6.5
93.25516	0.6
95.01382	1.3
96.96041	1.0
97.02956	2.2
99.00877	2.1
99.04560	0.7
101.02445	34.3
107.05035	1.1
113.02451	13.7
119.03474	5.8
125.02422	4.0
131.03500	5.3
135.04578	3.0
137.02560	0.8
143.03491	4.9
149.04556	6.4
152.86530	0.6
155.03494	1.9
159.02937	0.8
161.04565	16.2
177.01849	0.7
179.05568	2.7
203.05615	11.4
221.06657	25.2
263.07693	18.0
305.08768	34.1
306.09149	2.3
383.11761	2.1
425.34302	1.4
443.35349	1.8
445.32770	0.9
469.33215	5.2
487.34268	100.0
488.34677	14.7
501.35858	2.7
529.35309	32.6
530.35522	5.6
559.27515	0.7
559.36359	1.2
589.37903	1.0
631.38281	3.6
649.39728	1.1
673.39374	2.0
691.40527	0.8
692.40601	0.9
733.41559	27.3
734.41888	5.1
793.45154	1.1
811.46442	1.2
853.45935	2.8
854.45782	1.0
864.11688	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01714	1.1
68.91988	0.8
69.03461	2.6
69.56024	2.0
69.56437	2.6
71.01379	59.7
72.99318	1.6
73.02944	100.0
74.03311	1.0
75.00858	1.5
81.03445	0.9
83.01385	24.7
85.02948	13.5
87.00887	3.1
89.02441	16.0
95.01379	4.5
96.80606	0.7
97.02943	2.1
99.00884	1.6
101.02440	84.9
102.02750	2.0
108.02190	6.0
113.02445	35.7
119.03501	13.0
121.02969	2.2
123.04498	7.5
125.02455	4.8
131.03510	10.2
134.03749	0.8
136.01663	10.9
143.03499	13.8
147.02980	0.8
149.04543	20.5
151.04005	19.4
154.00035	0.8
155.03474	3.7
159.04524	1.1
160.05334	1.7
161.04544	41.9
162.03218	0.8
162.04887	1.3
179.05609	4.7
179.97337	0.9
187.04012	2.3
188.04785	3.1
191.22217	0.7
203.05563	6.7
203.07172	8.9
209.06181	1.0
221.06642	17.7
233.06165	0.9
235.07600	2.1
251.06981	4.2
261.05435	4.7
262.06299	2.0
262.83038	0.8
263.07224	4.4
264.04358	1.1
264.07706	1.3
278.06024	0.9
278.09354	2.1
279.06653	11.6
280.06927	1.1
281.08200	1.0
291.06665	3.1
293.08170	1.7
294.08939	10.4
296.10339	1.0
297.07693	1.2
306.08783	1.2
309.07928	1.3
309.11285	30.9
310.11761	2.1
312.10046	0.9
321.11414	2.0
324.10175	1.7
327.12265	2.6
339.12335	40.3
340.12665	3.9
357.13412	21.8
358.13702	3.0
381.13385	4.4
416.89185	0.9
483.16583	3.7
501.17609	6.2
525.17792	1.0
531.18726	19.9
532.19061	2.0
543.18683	70.3
544.19006	7.9
561.19739	3.4
573.19611	1.7
585.19788	7.1
586.20081	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.71217	1.6
60.01717	1.8
63.98091	1.5
69.03460	4.6
69.44896	5.6
69.45332	6.9
71.01382	77.0
72.99295	3.8
73.02947	100.0
75.00886	2.3
83.01387	25.8
85.02953	20.4
87.00881	5.0
87.54594	1.5
89.02455	16.8
93.03460	1.7
95.01405	5.1
96.96058	1.8
97.02957	4.4
99.00856	1.9
99.04514	2.8
101.02443	88.5
108.02166	7.9
108.52279	1.6
113.02451	47.2
115.00388	2.2
119.03490	16.6
121.02946	2.5
123.04517	6.5
125.02441	5.3
127.04022	2.1
129.64238	1.6
131.03481	9.5
135.04541	1.7
136.01665	15.7
139.00349	1.8
143.03500	18.9
145.09660	1.5
149.04561	18.7
151.04004	24.1
155.03506	4.3
160.05211	1.6
161.04552	40.2
161.05882	2.3
167.80598	1.6
179.05615	5.8
188.04874	2.8
199.02432	1.9
203.05524	10.2
203.07133	8.2
221.06635	20.8
251.06963	3.9
261.05557	3.0
262.06238	2.6
263.07190	6.6
278.09454	3.3
279.06628	12.8
280.06952	2.7
291.06711	2.6
294.08954	10.4
295.94836	1.7
306.08856	1.9
309.07791	2.4
309.11258	37.0
310.11856	2.0
321.11163	1.8
324.09863	2.5
327.12378	3.3
335.11157	1.7
339.12381	41.8
340.12805	3.5
357.13403	27.8
358.13751	2.2
381.13376	5.0
383.06354	1.6
472.71466	2.1
483.16528	3.4
501.17795	3.8
531.18811	21.6
532.19635	2.6
543.18707	68.2
544.18976	9.7
561.19458	4.4
585.19910	7.4
586.19647	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	852.5112
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
63.85015	0.2
65.94532	0.2
70.19369	0.5
78.95885	0.3
93.38958	0.2
112.40089	0.2
663.61359	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.4856
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	19.3
61.11351	1.6
61.98838	9.0
69.03448	1.7
69.91854	1.6
71.01380	19.4
73.02938	3.4
78.95894	5.9
83.01359	2.1
85.02935	5.9
87.00890	4.0
89.02452	15.6
97.02938	3.4
97.06567	3.7
97.22105	1.7
101.02451	11.7
113.02405	7.4
116.35703	1.9
116.92813	2.9
119.03528	2.7
125.02428	3.5
151.11284	12.6
152.99525	2.8
157.91751	1.6
161.04602	2.2
169.12332	70.5
170.12672	3.2
171.10269	14.4
211.13504	3.7
213.11330	9.5
221.06641	3.0
225.00929	1.9
229.14433	2.9
229.23680	1.9
229.57330	1.7
235.08365	4.0
253.09273	7.4
255.23271	30.5
256.23459	3.1
277.21744	4.9
303.23346	17.2
309.20648	6.9
327.21790	20.0
397.13116	3.4
849.48480	100.0
850.49097	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
69.03448	3.2
69.30150	7.2
69.30558	2.5
71.01382	56.7
72.99288	2.3
73.02948	14.0
75.00881	1.8
80.40195	1.0
81.03443	1.7
82.42606	1.2
83.01387	10.0
84.02188	1.3
85.02949	26.7
87.00888	7.3
87.04510	2.1
89.02445	17.4
93.03432	1.0
95.01392	8.9
95.05053	2.5
97.02939	4.9
98.77502	1.0
99.00883	4.1
101.02441	26.7
111.00880	2.0
112.01673	1.1
113.02451	39.2
115.04071	1.0
119.03496	6.5
124.01657	3.1
125.02445	15.4
129.02007	1.3
133.01414	2.1
135.04515	1.8
143.03467	8.3
159.03012	2.4
161.04521	3.9
167.59230	1.2
179.05597	1.8
237.18576	1.1
249.18771	1.3
267.19675	2.3
316.70340	1.0
411.23944	3.0
417.80783	1.3
423.24203	2.6
481.27893	1.9
495.25830	1.1
499.29373	7.7
517.29974	4.3
555.28088	1.8
562.75415	1.2
595.31287	2.2
607.31036	1.5
625.32190	8.4
643.33344	74.5
644.33636	12.5
661.34393	93.3
662.34650	15.2
679.35468	20.0
680.35132	2.6
703.35254	21.3
704.35651	4.0
721.36475	19.0
722.36768	4.9
752.22583	1.3
763.37915	2.1
764.38214	1.4
789.31970	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.6
61.98818	1.1
71.01386	0.7
71.52080	0.5
73.02885	0.5
86.68616	0.3
88.98791	0.6
89.02415	0.4
91.05531	5.0
93.03459	1.8
101.02407	0.6
107.05023	16.1
108.05376	0.9
119.05093	0.4
121.02966	0.9
122.03799	0.4
124.01660	1.4
125.02450	0.7
134.03705	0.8
135.04521	100.0
136.04839	3.0
139.11293	0.7
148.05420	0.4
150.03221	0.8
151.03973	3.6
161.02455	1.8
162.03217	2.4
181.05028	0.5
183.10130	0.5
211.13501	0.4
211.98672	0.4
223.13438	0.6
301.14499	1.1
319.15479	15.6
320.15927	1.5
363.14401	12.3
364.14819	1.5
375.35025	0.4
441.30023	0.8
599.38098	0.4
805.36462	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.4803
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.4
61.98539	0.8
61.98832	13.0
70.02974	0.7
71.01366	2.7
77.58588	0.6
87.00808	0.7
88.98774	1.1
89.02428	1.3
101.02432	1.7
111.27608	0.6
121.02915	2.7
122.03716	1.1
123.04522	1.2
135.04488	5.0
147.04489	5.0
150.05554	0.8
151.06401	2.3
152.07188	3.6
153.07385	0.6
159.04552	6.8
160.04004	1.3
161.02275	0.6
161.06056	1.9
162.05557	0.7
171.04515	1.6
173.06140	0.7
174.03207	0.7
174.05608	5.3
175.03951	2.2
175.06390	64.5
176.06821	3.1
183.10257	5.4
185.06050	2.5
188.04753	1.4
189.05550	6.0
201.05569	1.3
203.07106	6.7
218.08217	1.1
219.09006	33.7
220.09486	1.8
229.08366	0.7
229.12407	0.9
232.13446	0.7
244.13406	1.4
253.09277	0.7
260.12857	1.2
272.12915	55.3
273.13501	3.8
277.21710	12.2
278.22070	1.2
288.16055	1.6
290.14001	15.8
291.14166	1.0
298.14624	0.8
300.16156	0.9
316.15533	53.3
317.15878	4.4
334.16608	19.4
335.16855	1.4
344.18762	1.2
526.22925	1.9
552.16284	1.1
552.24481	3.1
553.24384	0.7
570.25610	11.3
571.26123	2.2
598.29150	1.4
677.13861	0.7
786.44379	7.2
787.44702	1.7
830.46973	100.0
831.47162	27.1
848.46008	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.4881
Annotation	Unknow
Peak:m/z	Relative Intensity
61.92254	0.8
61.98830	12.4
63.96246	1.6
71.01382	11.2
71.51390	0.9
73.02943	1.8
78.95885	2.3
78.98585	8.0
79.95734	23.4
80.96516	86.8
81.03442	0.8
82.96102	2.4
85.02953	2.4
87.00880	2.9
94.98086	16.8
96.96014	3.0
96.97612	0.8
97.02941	2.6
99.92557	1.0
101.02431	2.9
106.98120	4.0
110.14225	0.8
122.97581	4.0
125.02450	3.6
127.04005	1.3
134.97574	5.9
136.99170	1.1
146.07681	0.9
148.99136	7.7
152.98630	7.9
161.04510	0.8
164.98628	15.0
183.46516	0.7
185.22923	0.8
206.99702	3.5
225.00729	21.4
226.01024	1.9
255.23274	2.6
295.03433	0.8
466.97049	0.7
537.27289	1.9
847.48651	100.0
848.49078	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.4796
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01110	0.9
59.01380	9.9
61.98826	25.1
70.71020	0.8
71.01387	6.7
71.51866	1.2
73.02934	4.1
85.02953	1.6
88.98782	2.6
89.02437	1.9
96.95982	1.3
101.02405	6.1
113.02437	3.0
114.13395	0.9
121.02962	4.2
122.03796	1.0
131.03500	1.0
135.04501	7.0
147.04518	5.3
149.04410	1.0
150.05519	1.3
151.06342	3.3
154.99773	0.9
159.04497	7.7
160.04001	1.5
160.05289	1.1
161.04520	2.0
161.06100	1.6
164.07018	1.0
169.42958	1.0
171.04482	1.2
174.05576	6.7
175.03923	3.6
175.06369	77.1
176.06784	3.6
185.05986	1.2
187.03926	1.3
188.04721	1.4
189.05566	9.4
190.08636	0.9
201.05554	2.0
203.05647	0.9
203.07164	7.5
211.13394	11.3
219.08983	32.8
220.09361	2.7
221.06491	1.2
225.81485	1.1
249.18471	7.0
283.13400	1.2
288.16110	1.2
300.16058	58.0
301.16287	3.9
305.08801	1.6
316.19168	2.3
318.17078	25.9
319.17227	1.7
326.17609	2.5
327.15854	2.1
344.18631	67.7
345.18939	7.5
362.15146	1.5
362.19672	30.5
363.19965	3.2
413.55011	1.0
418.22525	1.2
424.66629	1.1
441.30075	13.3
455.31796	1.0
554.26062	4.2
580.27472	1.6
598.28650	46.5
599.28925	6.7
786.44287	6.9
830.46893	100.0
831.47217	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	847.4881
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.8
61.98831	2.2
63.54144	0.6
63.96249	2.9
67.82838	0.5
69.03452	1.5
70.01951	2.1
71.01382	10.8
73.02943	2.1
75.09077	0.5
78.98594	8.9
79.95737	19.0
80.96517	95.0
81.03442	0.8
82.96094	2.0
85.02943	4.3
87.00883	2.8
87.90272	0.5
87.90846	0.5
92.08945	0.5
94.98086	20.0
95.01410	1.0
96.96005	1.7
97.02950	2.3
98.19968	0.8
101.02432	3.0
102.51875	0.6
106.98075	4.4
113.02466	0.9
122.97600	5.8
125.02438	2.7
127.04002	1.4
134.97594	6.6
136.99135	1.7
141.26994	0.6
146.97554	0.6
148.99136	6.9
152.98634	6.8
164.97327	1.0
164.98628	13.3
171.15736	0.5
197.11862	0.7
206.99654	3.5
210.62613	0.6
225.00743	21.8
226.00987	1.5
255.23326	2.3
283.04794	0.6
294.09790	0.6
294.33890	0.6
344.82330	0.7
537.27289	2.2
540.00018	0.6
591.24298	1.6
646.71393	0.6
720.06458	0.7
847.48694	100.0
848.49127	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	845.5132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.3
61.98829	100.0
62.98526	0.2
63.40012	0.2
69.49721	1.2
70.53022	0.2
71.01380	0.2
77.64272	0.2
78.95933	0.3
88.98816	0.2
116.92886	1.3
125.09718	0.2
129.10396	0.4
135.04526	0.3
159.04512	0.8
160.04866	0.2
167.34067	0.2
197.16704	0.2
207.15144	0.3
210.15260	0.2
211.13383	0.2
231.99124	0.2
242.18875	0.3
244.75079	0.2
253.09328	0.2
270.06293	0.2
277.21985	0.3
321.07474	0.2
593.66357	0.2
713.77100	0.2
747.39087	0.2
782.51910	4.3
782.65179	0.3
783.51880	1.0
845.45123	1.0
846.45850	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4555
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	9.3
61.98827	100.0
69.03452	0.9
71.01374	5.9
71.42322	0.5
71.52194	1.1
73.02949	1.9
78.95905	1.0
81.88970	0.7
83.01382	0.7
85.02946	1.9
85.89864	0.7
87.00874	2.0
88.98801	1.5
89.02465	5.1
94.41533	0.6
95.05003	0.9
97.02934	0.8
97.06577	8.3
101.02423	4.2
113.02458	2.5
116.92866	2.4
118.67386	0.7
119.03536	0.8
123.08183	4.5
125.02442	1.2
125.09721	50.6
126.10060	2.5
135.04529	0.7
143.03506	0.8
143.10736	0.8
159.04520	2.2
161.04565	1.0
169.08754	1.3
169.17352	0.7
179.05591	1.1
187.09750	33.5
188.10133	1.5
191.05658	6.5
221.06650	1.4
235.08331	0.8
277.21643	6.9
278.21912	0.9
397.13272	0.7
463.95139	0.6
544.08160	0.7
567.23004	1.7
585.23914	2.6
782.51807	5.1
845.45355	53.4
846.30499	1.0
846.45929	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	845.4565
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	15.3
60.47239	1.1
61.98539	1.5
61.98829	20.7
65.34297	1.2
67.37508	1.4
71.01383	12.7
72.99282	1.2
73.02937	2.8
78.95923	1.3
83.01380	1.5
83.05030	1.8
85.02930	4.0
87.00852	4.7
88.98788	1.3
89.02441	11.6
95.05009	1.5
97.06585	13.2
98.19933	3.1
99.00895	1.1
99.47900	1.2
99.92571	3.0
101.02468	9.6
101.40999	1.1
107.07835	1.2
113.02441	3.5
116.92093	1.9
116.92860	24.6
117.92863	1.2
119.03490	2.7
123.08163	8.1
125.02454	3.3
125.09721	68.4
126.10028	2.4
135.04536	2.2
143.03506	1.2
159.04474	3.2
160.04825	1.2
169.08647	1.5
187.08104	2.2
187.09740	31.2
188.10002	1.5
209.11737	1.9
229.23749	1.3
235.08211	2.3
249.18597	1.2
253.09192	1.3
277.21732	25.7
278.22043	2.8
379.24768	1.2
397.13531	4.1
415.14484	1.9
460.87689	1.2
585.23956	1.9
845.45374	100.0
846.45428	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	844.4617
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01354	2.3
61.98830	65.3
63.96769	1.8
71.01381	3.8
74.07635	1.6
78.95905	99.0
80.96519	5.1
89.02460	2.5
94.98077	2.2
96.96986	9.9
99.92584	2.5
102.26449	1.7
114.93438	1.9
116.92870	36.5
121.02972	3.3
122.10636	2.0
130.04253	2.4
135.04538	5.3
146.82129	2.2
147.04500	2.0
150.97995	2.3
152.99577	100.0
159.04477	19.1
160.04921	3.5
171.00635	16.1
174.05524	3.7
175.06367	26.1
183.13760	1.8
185.11719	2.1
189.05626	2.3
203.03308	2.5
211.13268	9.4
219.09003	7.9
246.59613	2.1
277.21747	2.6
300.16013	26.9
301.16391	1.9
302.32712	1.8
318.17151	29.0
319.17435	2.5
344.18646	9.9
362.19708	16.3
454.16251	5.0
498.18881	2.6
546.21191	7.8
572.22485	4.3
590.23822	11.3
782.42542	4.4
826.45056	99.8
827.45135	21.7
844.45422	32.7
845.45673	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	845.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	93.6
59.07069	1.3
62.42174	1.3
63.63301	1.3
71.01386	32.8
71.05011	13.6
71.52559	2.6
73.02943	41.9
80.61366	1.4
83.01389	10.6
85.02946	7.0
93.03459	2.0
95.01367	1.8
96.96001	2.9
97.02961	1.6
99.00862	2.0
101.02448	24.4
105.03457	11.3
113.02425	7.5
121.02959	20.3
123.04476	1.9
125.02440	3.0
131.03545	1.7
134.03735	18.1
143.03479	4.3
147.00847	4.2
149.02406	3.0
149.09663	2.6
155.03534	1.5
160.01588	2.6
161.02444	100.0
162.02794	5.5
177.09216	4.7
178.91147	1.3
189.01949	35.6
203.05580	3.1
219.02994	9.0
221.08185	81.1
222.08492	4.2
231.02853	2.1
275.09326	2.3
289.16522	4.5
351.06958	1.6
461.32825	1.6
510.46408	1.5
555.27222	1.4
830.07794	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.4503
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	6.6
60.46630	3.5
61.98832	100.0
63.99248	8.8
65.43456	3.3
65.47102	4.0
67.23466	3.5
70.38189	4.1
71.01361	7.0
71.52188	4.9
78.95941	6.0
90.24301	4.1
113.02450	6.3
116.92859	26.5
159.04474	6.8
171.10297	41.1
180.19197	3.9
194.79123	4.3
221.09396	4.4
255.23296	25.8
277.21344	4.3
287.25235	3.5
379.12280	10.8
389.71060	4.2
397.13498	14.0
415.15195	3.9
416.54984	5.4
419.58289	4.0
452.47687	4.1
635.36328	5.0
843.45154	21.1
844.45245	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	843.4289
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
78.48463	4.3
78.95905	12.9
85.02908	4.4
87.20920	4.2
116.92859	13.0
121.55965	5.6
131.05067	4.6
133.02953	5.6
134.03705	5.0
135.04514	14.9
159.04500	52.3
202.10211	4.7
203.03528	5.5
253.09161	8.0
277.21759	11.3
307.19055	9.1
395.53577	5.4
843.44043	53.4
844.44727	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	843.429
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	7.9
61.98835	100.0
71.51866	9.9
78.95915	8.9
79.48420	5.4
80.96534	6.2
85.62852	5.5
88.98804	6.4
93.85925	4.9
95.53279	4.7
102.71448	5.1
109.02943	10.6
116.92872	10.1
135.04495	20.5
152.99554	7.1
154.68326	6.4
159.04506	66.1
177.01849	6.1
249.18541	7.6
253.09166	6.3
278.21896	5.3
281.17636	6.5
289.18213	9.8
309.20807	7.7
310.26541	5.0
316.03479	6.0
414.73441	5.9
450.57401	7.0
725.18921	6.2
825.44409	10.1
843.44092	55.4
844.44250	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	841.5136
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98814	13.4
64.30347	3.9
71.01376	12.9
71.50173	4.0
78.98593	8.7
79.95732	17.2
80.96515	100.0
90.99819	4.5
94.98104	23.0
121.40108	3.6
122.97590	13.4
134.32744	4.5
134.97531	8.7
148.99130	6.0
152.98616	10.0
163.45197	5.0
164.98656	12.4
169.84694	4.0
196.91750	4.6
225.00734	15.2
271.48776	5.1
279.71140	4.1
318.26498	4.5
573.10138	4.3
776.11041	5.2
841.51373	93.3
842.28815	5.6
842.51807	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	843.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	1.2
63.34955	0.7
65.17623	0.8
69.58099	0.6
71.01383	6.7
71.29161	0.8
71.51273	0.8
74.77296	0.6
77.41328	0.7
83.01350	0.9
89.02460	1.0
93.03441	0.6
98.95580	0.8
99.97933	0.6
106.89266	0.7
115.00371	14.9
117.03467	2.7
119.05029	11.7
119.72553	0.9
121.02914	0.7
133.01431	39.5
135.04559	1.2
138.17473	0.7
141.49539	0.6
149.02457	1.0
150.03152	2.0
154.17143	0.8
163.04002	11.8
165.05605	1.5
177.05473	0.9
195.06577	1.4
197.71501	0.7
203.03511	0.9
251.88983	0.8
268.07410	0.8
279.05045	1.6
282.05276	0.8
283.06107	2.1
295.06097	2.5
296.06818	1.7
297.07660	9.0
298.07892	1.0
307.06259	0.9
311.05475	1.9
323.05518	1.6
325.07111	3.9
328.05826	1.4
337.07285	1.6
343.11716	2.9
353.06656	21.5
354.07065	1.5
365.06607	2.4
368.92279	0.7
383.07669	15.1
384.07990	1.4
391.13882	3.4
395.07980	0.9
407.07733	0.9
413.08734	2.2
425.08829	1.4
443.09848	5.8
444.09814	0.8
473.10953	3.7
503.11658	1.2
563.14038	100.0
564.14447	11.7
595.20313	3.1
598.88300	0.8
712.79205	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.5141
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	4.3
63.96243	3.7
70.84367	5.4
71.01378	11.3
73.02945	2.7
78.33177	1.9
78.95900	20.4
78.98582	8.6
79.95731	20.5
80.96516	100.0
81.03443	2.0
85.02946	2.1
87.00875	5.3
94.98096	17.8
96.96003	3.2
97.02947	2.3
101.02470	4.0
106.98104	3.7
110.98563	2.3
114.89340	2.0
115.92059	4.4
116.92861	2.9
122.97579	5.3
125.02470	2.2
134.97568	6.8
135.04538	4.9
136.94742	1.9
148.99147	6.0
152.98613	6.0
152.99664	2.9
164.98628	14.5
178.02644	2.4
179.89182	5.5
183.01125	1.8
196.89488	6.8
225.00742	19.1
255.23560	3.7
339.20111	2.9
376.07266	1.9
841.51672	88.7
842.39154	2.4
842.52106	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.4872
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
69.53451	12.5
69.53862	6.4
71.30853	3.0
75.75811	2.9
78.95913	8.7
79.95754	2.8
80.96513	17.4
86.26164	2.8
94.98087	6.9
96.04010	2.9
96.60419	2.7
116.92844	3.6
132.17348	2.8
154.45094	2.7
173.53044	2.6
196.89273	3.0
240.44408	2.7
255.23360	7.6
277.21680	10.7
309.20807	7.3
313.75861	2.8
841.50366	12.9
842.51514	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	839.4796
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	22.6
60.01702	0.4
61.98824	0.6
69.03461	0.6
69.67843	1.5
71.01384	16.0
72.99298	0.8
73.02943	6.1
83.01388	3.6
85.02948	8.5
86.00098	0.6
87.00860	1.9
89.02454	4.3
90.96397	0.4
95.01364	1.6
97.02922	0.9
99.00880	2.0
101.02446	11.7
111.00856	0.6
111.07259	0.4
112.01688	0.4
113.02453	7.0
119.03479	0.8
122.34238	0.4
125.02414	1.2
129.76099	0.4
131.03519	0.5
159.02942	0.6
161.04579	1.2
238.06558	0.4
238.41489	0.5
285.91364	0.4
353.51639	0.4
425.34680	0.5
427.35849	1.1
473.36395	1.7
589.40070	0.5
617.41003	1.2
635.41571	2.9
677.42767	4.7
678.42523	1.2
797.46350	2.0
798.22742	0.5
839.47949	100.0
840.48260	26.1
860.23706	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.4794
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	24.1
61.98828	12.0
62.34213	0.6
71.01382	19.3
72.99315	1.6
73.02941	6.6
83.01377	4.3
85.02952	10.8
87.00872	2.5
88.16754	0.6
89.02451	3.5
95.01395	2.5
96.96025	2.9
97.02931	1.4
98.19830	1.0
99.00879	3.3
100.34260	0.6
101.02435	13.4
112.01677	0.8
113.02451	8.1
119.03492	1.1
125.02457	1.8
143.03510	0.6
159.25406	0.6
161.04546	1.8
165.19775	0.6
427.35779	1.1
473.36511	1.3
589.40961	1.1
617.40558	1.0
618.71869	0.8
635.41547	3.7
677.42487	4.4
678.43793	0.9
779.44965	1.5
797.46783	1.7
839.47931	100.0
840.48315	24.1
840.64703	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.0752
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.9
63.96224	1.4
64.97035	1.0
65.36721	0.8
74.98682	1.8
74.99100	32.2
79.95744	14.7
80.96513	2.3
85.02959	1.6
89.02464	0.9
95.95237	51.7
96.96014	100.0
101.02466	0.9
105.03270	0.9
110.46552	0.8
138.97137	1.1
152.26816	0.9
166.03293	3.8
195.03008	0.9
216.68736	0.9
225.99477	0.9
259.01349	1.8
280.67838	0.9
286.10114	0.9
290.67249	0.9
408.04269	96.8
409.04636	9.3
490.18271	0.9
635.44080	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.4593
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.3
61.98831	100.0
62.98539	0.2
63.47638	0.1
67.42282	0.1
70.74583	0.2
70.74935	0.2
71.01395	0.1
78.95935	0.1
79.95747	0.3
80.96495	0.2
85.46629	0.1
92.39369	0.1
96.96030	0.3
116.92892	0.1
134.89491	0.2
135.89565	0.1
136.89180	1.4
137.89203	0.3
138.89001	0.1
138.97128	0.1
169.08739	0.2
190.37534	0.1
191.14418	0.1
201.22252	0.1
211.02827	0.2
218.68611	0.1
235.08315	0.2
249.18823	0.2
250.19060	0.2
251.19592	0.1
253.09377	0.3
255.23685	0.1
277.21735	1.3
278.22055	0.9
281.17664	0.2
282.17969	0.2
290.18524	0.2
291.18781	0.1
299.08194	0.2
308.19580	0.2
345.87753	0.1
641.65814	0.1
838.38141	0.5
839.39343	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	838.4591
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.2
61.98828	100.0
62.98538	0.2
67.34077	0.1
69.14313	0.2
78.95924	0.2
80.96513	0.3
86.12093	0.1
98.20648	0.4
110.53432	0.1
113.03951	0.1
141.80745	0.1
183.57816	0.1
225.00841	0.2
227.50912	0.2
258.46793	0.2
264.24600	0.1
277.21796	0.6
278.22104	0.6
279.22601	0.3
280.23547	0.2
348.78009	0.2
497.00665	0.2
838.44220	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.4592
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.2
61.98830	100.0
62.98517	0.2
64.75327	0.1
71.01405	0.2
73.61838	0.1
78.56618	0.1
78.95907	0.3
79.95750	0.5
80.96516	1.2
88.98804	0.3
94.98081	0.3
96.40480	0.1
98.19894	0.4
99.92593	0.2
101.71990	0.2
106.80666	0.1
116.92862	0.7
131.97888	0.1
136.94713	0.1
171.59958	0.2
225.00771	0.3
247.81967	0.1
250.18991	0.2
253.09314	0.2
277.21820	0.5
291.19708	0.2
409.62625	0.1
415.19659	0.2
654.32336	0.2
694.72223	0.2
838.39441	0.3
839.41956	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5002
Annotation	Unknow
Peak:m/z	Relative Intensity
58.39443	0.8
59.01108	0.8
59.01382	7.9
61.98831	45.3
66.43825	0.6
68.89636	0.6
68.99562	0.7
69.03452	0.6
71.01375	3.9
71.05052	0.8
73.02951	1.5
78.95913	1.3
79.95734	8.0
80.96507	2.7
81.03452	0.7
83.05032	0.7
85.02946	1.8
87.00868	1.3
89.02428	1.9
95.95219	2.1
96.96000	7.3
97.02961	1.6
97.06575	1.2
98.20767	1.4
99.92596	1.2
101.02454	4.0
111.08178	0.7
113.02428	1.6
116.92888	3.8
117.92899	0.8
119.03484	0.7
122.97608	0.8
123.41046	0.7
134.89470	9.6
135.89479	2.7
135.97134	0.6
136.89188	27.3
137.89186	1.4
138.97054	1.0
143.07162	2.0
145.05104	0.8
146.53366	0.7
161.04555	2.2
167.00198	2.7
181.12311	1.1
183.10196	0.7
193.20860	0.6
197.11823	1.5
197.27493	0.6
201.16658	0.8
211.02791	5.3
219.17549	1.0
229.36726	0.7
235.08183	7.3
236.08574	1.0
249.18547	1.8
253.09280	13.2
255.05426	1.4
255.23199	0.8
263.16507	8.5
277.21716	100.0
278.22025	8.9
281.17581	16.5
282.18091	1.0
290.18481	1.1
299.08044	2.5
304.29736	0.7
341.23080	1.2
374.61322	1.0
387.13354	0.8
837.38641	9.9
838.39093	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	836.5164
Annotation	Unknow
Peak:m/z	Relative Intensity
61.90525	0.1
61.92549	0.1
61.98832	100.0
62.98523	0.2
62.99262	0.1
70.06925	0.2
70.07288	0.3
80.96510	0.2
222.91972	0.1
277.21866	0.1
401.48206	0.1
520.13690	0.1
553.70129	0.1
789.87189	0.1
827.73505	0.1
836.53210	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	837.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	7.9
61.98845	0.7
66.03476	0.9
69.36196	6.1
71.01385	3.0
73.02959	2.1
78.20178	0.6
82.02988	10.9
83.01378	1.0
85.02961	1.1
91.48015	0.9
96.04557	1.2
96.95990	1.2
98.20689	0.8
101.02470	1.5
105.03466	1.1
107.05024	2.1
108.02161	1.0
108.04567	2.7
108.08181	1.6
109.02956	0.8
110.06082	0.9
112.04055	3.2
115.00382	0.7
120.04535	4.3
120.08261	0.7
122.02502	1.1
122.06145	1.3
122.09796	3.6
124.04096	1.3
129.05621	1.4
133.01439	1.3
133.02994	2.0
134.02457	0.9
134.06102	1.0
135.03432	1.1
135.04536	12.8
136.07724	2.1
138.05592	1.8
139.02773	1.2
146.02521	1.1
146.06099	1.0
146.09782	0.7
147.03273	2.9
148.04062	28.4
149.02483	0.7
149.04843	12.1
150.05617	45.7
150.80884	0.8
151.04034	1.0
151.05946	1.7
152.03508	1.0
154.05113	3.8
158.06146	1.2
159.08235	0.8
160.02797	1.4
160.04027	6.7
161.04823	15.8
162.05614	4.4
163.02800	4.5
164.03551	11.7
164.07181	2.4
166.08760	4.4
172.04013	0.9
172.05344	0.9
173.03563	11.2
173.04869	3.2
174.04347	42.1
174.05612	3.4
174.09200	0.9
175.02832	1.3
175.05089	15.7
175.06433	7.0
176.05902	2.0
177.01950	2.6
177.06662	1.6
180.10336	1.0
186.05545	3.5
187.06433	4.2
188.07214	3.7
189.06673	17.6
190.05072	2.7
190.07480	51.8
191.06128	3.6
191.08238	7.7
192.06764	1.3
200.07176	5.1
201.07954	6.4
202.07414	4.8
202.09102	6.4
203.06056	3.8
203.08293	3.2
204.06728	1.7
213.04388	0.8
213.06773	1.2
213.10271	2.1
214.05119	1.4
214.07312	1.1
214.11043	5.3
215.05855	2.6
215.08240	2.8
216.06653	3.1
217.07440	4.0
217.09764	2.7
218.10507	0.9
219.11366	1.2
220.09793	1.9
226.08722	1.6
227.09619	1.6
228.06825	4.6
230.06883	1.0
230.10558	0.8
231.07755	9.3
232.08525	52.5
233.07013	1.0
233.09239	14.5
234.09605	0.8
241.09792	2.2
242.08157	2.1
242.10661	3.6
243.07567	9.6
243.11411	2.1
244.08228	23.2
245.06880	1.4
245.09253	18.9
246.07588	1.5
246.09799	1.2
247.08437	0.7
253.13457	2.8
255.07845	1.1
262.09521	4.1
263.10303	1.9
267.07620	3.5
268.08487	3.7
269.09296	2.2
270.07690	1.1
271.08279	1.0
271.14520	9.5
275.09271	3.0
277.10803	2.3
279.11295	1.4
281.09357	0.8
285.08896	2.5
286.09604	12.8
287.10468	9.7
289.09613	1.8
295.14334	0.9
296.14163	2.3
299.02103	0.9
302.26190	0.9
304.10660	2.6
305.11188	1.0
307.12018	1.6
312.17252	1.3
315.13635	5.4
321.09769	1.5
337.10754	2.0
340.12939	1.7
354.18207	5.1
366.18207	2.5
384.19284	1.6
390.18292	1.5
391.16574	1.3
398.17206	5.2
408.19330	3.8
409.17868	2.3
410.17340	1.9
426.20416	8.3
434.17273	3.4
449.15948	1.2
452.18292	23.1
453.18152	3.1
467.17010	4.0
468.17575	1.2
470.19339	23.8
471.19745	2.8
519.19757	3.3
538.43982	0.9
544.19525	2.4
589.26520	2.8
602.23553	14.1
603.23926	2.9
613.23914	1.3
614.23541	5.7
615.24536	5.1
632.24707	1.7
633.25476	8.1
634.25684	2.2
656.24500	12.5
657.23486	5.6
658.23590	1.8
674.25610	100.0
675.25983	19.1
677.30902	0.9
700.24207	0.9
707.25543	1.0
765.30719	4.1
795.30530	1.7
801.30310	0.9
819.30524	4.5
820.31372	1.3
837.31946	41.8
838.32178	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	836.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
58.97501	1.3
58.97908	1.0
59.01379	100.0
60.01714	0.8
69.25089	6.7
71.01379	18.7
72.99304	0.7
73.02946	24.5
75.00910	0.7
83.01388	6.4
85.02983	1.9
89.02449	4.1
93.42629	0.6
95.01400	0.7
95.63374	0.7
98.20647	1.5
101.02444	21.0
101.03104	1.0
102.02837	0.8
103.31168	0.7
105.79014	0.7
107.57412	0.7
113.02451	7.1
115.00425	0.7
119.03487	1.8
130.03326	5.0
131.03535	3.0
135.04547	0.8
143.03543	3.0
149.04544	4.5
161.04550	7.3
203.05795	1.4
221.06747	1.4
331.89169	0.8
334.09665	13.2
335.09940	0.8
552.04559	0.8
628.48425	0.8
723.11713	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.4854
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	8.8
61.98829	100.0
71.01399	3.8
78.95901	13.0
81.03460	1.7
89.02459	2.2
101.02436	2.1
103.86096	1.6
109.06587	4.8
111.04559	2.6
116.92856	11.4
123.08249	1.7
127.07750	1.7
134.89470	5.5
152.99608	3.1
181.12373	1.9
183.01230	1.9
185.11903	2.8
191.14464	2.5
199.23657	1.6
211.13307	2.5
230.81071	2.2
235.08150	4.2
245.18871	1.9
249.18597	50.0
250.18893	6.3
253.09245	9.3
255.23222	11.0
256.23654	4.8
277.21704	7.6
279.15964	1.8
281.24689	2.0
289.18079	85.6
290.18338	6.0
307.19263	4.5
316.44135	1.8
325.18536	2.5
450.60950	1.9
509.28702	2.7
525.27148	4.5
606.68689	2.4
835.45465	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	835.485
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	18.5
69.03445	0.5
71.01371	4.5
73.02921	1.1
75.00840	0.4
78.95889	1.7
80.56310	0.4
81.03448	0.7
83.01400	1.1
83.05032	1.1
85.02941	1.9
87.00853	0.9
89.02457	2.6
95.01379	0.9
95.05007	2.0
97.02969	2.2
97.06584	3.8
99.04500	0.6
101.02444	3.5
107.05033	0.4
111.08118	0.6
113.02426	1.4
113.06166	0.6
116.92870	0.6
118.29363	0.4
119.03512	1.0
123.08167	0.7
125.06146	0.5
135.08168	1.3
137.09714	1.3
145.05014	0.6
149.09756	0.5
153.09154	0.6
161.04530	1.1
163.07643	4.0
163.11270	3.8
179.05641	0.4
181.08717	1.3
181.12428	0.4
185.65511	0.4
189.12791	1.3
209.08134	0.7
217.04544	0.4
217.15955	10.5
218.16307	0.6
223.03149	0.4
233.22820	0.4
235.08229	5.0
235.14444	0.4
235.16953	1.2
243.13898	2.7
253.09258	11.6
255.23254	0.8
261.14935	20.3
262.15164	1.1
275.20032	0.5
277.02930	0.5
277.21704	100.0
278.22046	8.4
279.16006	15.4
280.16257	1.1
284.66217	0.4
335.73419	0.4
353.02133	0.4
357.61816	0.4
392.13025	0.4
513.30511	0.5
734.08850	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	835.4849
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	15.5
61.98832	26.1
71.01382	3.9
76.93909	0.9
78.95914	3.1
80.96505	1.3
83.01362	1.1
89.02450	2.1
97.02929	1.2
97.06660	1.4
97.07396	0.9
99.92591	7.9
101.02458	1.6
113.02489	1.3
116.92862	43.3
117.92873	2.7
119.08694	1.0
125.09727	2.6
126.57395	1.1
134.89482	100.0
135.89464	6.4
137.09743	1.2
152.99562	2.1
154.04364	1.0
163.11282	2.1
178.78645	0.9
185.11836	1.9
191.14444	3.9
197.11865	1.1
206.49731	1.1
207.10320	2.5
209.11871	3.6
225.11234	1.2
229.36397	1.3
235.08090	1.2
237.11342	1.4
245.19138	5.4
249.18585	36.5
250.19017	3.5
253.09253	6.8
255.23305	2.8
271.17087	1.3
277.21646	1.9
289.18106	39.9
290.18469	3.3
307.19131	24.0
308.19540	2.6
424.57663	1.2
525.26819	1.7
835.45410	1.1
847.42657	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.4847
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	32.8
61.98823	2.3
67.01888	0.8
70.25396	0.6
71.01377	5.9
72.99313	0.8
73.02930	0.9
78.95908	1.7
81.03446	1.2
83.01386	2.0
83.05032	1.1
85.02937	1.3
89.02435	4.0
95.01372	0.8
95.05012	1.3
97.02940	0.9
97.06583	3.1
98.19769	1.3
99.00835	0.7
99.92601	3.4
101.02447	5.2
109.06590	0.8
111.04504	0.8
113.02425	2.6
116.92864	6.7
119.03520	1.3
121.06578	1.0
123.04537	1.9
123.08156	1.3
125.09703	4.2
133.01414	0.9
134.89473	74.4
135.08159	1.3
135.89458	4.3
137.06061	1.0
137.09735	2.1
141.12892	0.8
143.03589	0.9
149.09735	0.8
152.99576	1.4
161.04543	1.8
161.09735	1.4
163.11281	6.0
165.12810	1.0
179.05536	1.1
181.12358	1.0
185.11819	5.8
191.14391	7.6
193.12251	1.0
205.19617	1.4
207.10168	2.4
209.11830	13.5
210.12035	0.8
211.13394	1.3
224.04195	0.7
225.11353	2.3
235.08212	1.8
237.11273	3.7
245.19064	13.9
246.19485	1.0
247.17047	1.1
249.18575	100.0
250.18907	7.6
253.09274	17.5
263.20111	4.3
271.16998	2.8
277.21729	1.0
289.18082	82.6
290.18439	7.3
307.19138	68.0
308.19516	3.9
438.24390	0.7
525.27081	3.2
543.28076	2.3
747.91284	0.8
775.46222	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3615
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00594	0.6
59.01377	58.2
60.01721	0.6
61.98816	2.3
64.39639	0.6
69.03444	0.8
69.45831	3.7
69.46239	1.1
71.01379	22.2
72.99284	1.1
73.02943	10.4
79.80831	0.6
80.16183	0.6
83.01382	4.8
85.02457	0.8
85.02946	10.0
85.58686	0.6
87.00869	1.4
88.98803	0.9
89.02448	5.1
90.11933	0.6
95.01398	1.9
96.96021	1.7
97.02944	0.9
99.00878	2.3
101.02446	17.6
108.29682	0.8
111.00898	0.7
113.02461	8.4
115.00327	0.8
119.03480	1.8
124.01611	0.7
125.02451	1.3
133.01422	0.9
135.04518	1.3
135.31020	0.6
143.03477	0.8
150.05594	1.0
155.18352	0.6
159.03027	0.7
159.04486	0.9
160.05235	0.9
161.04550	2.1
172.05197	0.8
173.06075	1.0
174.03230	0.9
177.01811	0.7
180.69316	0.6
181.05029	1.3
186.06898	0.8
187.04013	0.9
199.91898	0.7
201.05650	0.9
202.06262	1.5
209.11768	1.5
227.12930	0.7
231.10246	0.8
283.13397	3.9
284.13657	1.0
295.26221	1.0
327.15979	2.0
419.39954	0.9
469.33035	1.3
483.29764	1.3
501.30569	4.0
507.29724	1.1
519.20282	0.8
525.30774	1.6
541.30231	2.0
542.30389	3.4
543.31665	100.0
544.32056	13.6
567.31555	1.9
581.26465	1.1
585.32947	2.2
747.36493	4.4
748.38226	0.8
791.34424	4.8
792.35229	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	2.1
63.52122	0.5
78.02304	0.4
78.95912	1.0
80.96540	0.7
99.92571	3.2
114.54971	0.4
116.92855	5.1
132.90062	0.6
134.89474	100.0
135.02982	0.4
135.04488	0.6
135.89471	5.1
249.18437	0.4
256.23691	0.4
277.21796	0.4
289.18005	0.5
434.31360	0.4
585.66254	0.4
699.44318	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.5442
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	14.8
61.98838	3.9
64.67556	0.6
71.01371	2.6
71.26607	0.7
71.26962	0.9
78.95894	2.7
79.95750	1.6
80.03287	0.5
80.96508	5.4
85.02943	0.7
87.00875	0.8
89.02446	1.2
94.98086	2.3
101.02439	1.5
113.02405	0.7
122.97578	3.9
154.85190	0.6
161.04491	0.8
197.68398	0.7
225.00803	0.9
235.08226	2.1
241.01198	0.9
253.09311	4.0
255.23247	0.8
259.98907	0.7
277.21710	100.0
278.22055	10.5
279.23273	1.4
318.67566	0.7
833.51440	7.0
834.51349	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.3447
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25354	1.4
59.01379	100.0
61.78254	1.4
69.03459	3.3
69.63193	1.6
70.69962	1.4
71.01382	49.9
71.52426	2.7
72.99298	4.6
73.02957	12.4
78.46229	1.7
80.43965	1.5
81.55025	1.5
83.01381	5.4
85.02950	21.8
87.00846	5.9
89.02447	19.9
91.05536	2.0
95.01384	5.4
95.05030	1.7
96.65300	1.5
96.96014	8.0
97.02943	6.3
99.00853	3.7
101.02441	32.5
107.05014	5.4
111.00856	3.4
112.01658	2.2
113.02448	31.1
115.00381	1.6
119.03477	6.8
119.04342	1.6
124.01671	2.8
125.02461	12.0
133.01385	3.0
135.04521	30.9
143.03488	7.9
155.03401	1.8
161.04521	6.0
173.41602	1.6
179.05589	3.1
205.08545	1.9
211.13400	3.0
277.10873	2.6
289.11096	13.1
373.18713	9.6
391.17560	1.9
397.13882	2.6
400.71597	1.6
463.27066	3.9
481.28040	1.9
565.91022	1.8
607.31317	15.8
625.32245	52.9
625.42566	2.8
626.32654	8.5
643.33252	50.3
644.33466	7.9
661.33954	9.6
667.33765	2.5
685.34454	8.2
703.35358	8.4
771.59674	2.4
789.32220	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	833.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	0.3
69.65745	0.2
69.76645	1.6
71.01379	10.8
72.99294	1.9
79.75597	0.3
89.02438	1.5
89.03967	0.3
107.05007	0.6
115.00369	30.0
116.00732	0.3
117.03513	0.4
119.04952	0.3
133.01427	100.0
134.01797	1.7
134.03748	2.5
135.04518	27.1
136.04852	0.7
163.04007	0.6
177.01855	0.5
179.03487	25.2
180.03831	1.1
193.05049	0.7
267.40555	0.3
270.72104	0.3
295.04553	3.7
300.67618	0.3
543.32495	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.4
71.01385	10.0
71.51553	0.3
72.99306	2.2
73.75823	0.3
87.00883	0.6
89.02447	1.6
107.05052	0.6
115.00375	30.4
116.00758	0.7
119.05011	0.9
133.01431	100.0
134.01753	1.9
134.03764	2.9
135.04526	27.6
136.04857	1.0
137.02477	0.3
161.02498	0.3
163.04039	0.8
177.01796	0.3
179.03496	24.8
180.03937	0.9
193.05067	0.8
209.85957	0.3
281.66479	0.3
295.04614	2.9
348.55884	0.4
372.70212	0.3
391.41586	0.3
472.49432	0.3
511.52505	0.4
538.44476	0.3
557.92291	0.3
640.57629	0.3
655.69189	0.3
865.07813	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01405	0.4
71.01383	13.2
71.52268	0.4
72.01726	0.5
72.99303	0.8
89.02473	0.5
89.28110	0.3
93.03477	0.5
109.02975	0.3
115.00375	11.9
116.00704	0.4
119.05025	48.5
120.05354	3.7
121.02928	0.5
121.05549	0.3
125.02406	0.4
128.41606	0.4
131.69777	0.3
133.01428	23.9
134.01746	0.7
134.03722	2.0
135.04495	1.1
137.02449	1.2
149.02414	0.8
149.06100	0.4
150.03214	1.2
163.04008	100.0
164.04341	9.6
165.04506	1.5
165.05684	0.6
171.29855	0.3
176.34615	0.3
178.02687	1.3
179.03525	0.5
181.23586	0.3
193.05055	3.7
195.06563	0.4
279.05072	5.4
280.05481	0.7
305.06628	0.8
343.11871	1.2
389.12375	0.5
391.13901	2.5
509.13177	1.0
553.19171	1.1
789.26001	0.4
852.88068	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4937
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.4
61.98825	5.2
67.29477	1.0
71.01385	9.7
72.99300	1.3
73.02963	1.2
75.73941	1.0
78.95907	4.2
78.98592	6.0
79.95739	30.0
80.96520	80.1
82.96112	1.4
85.02938	2.8
87.00875	3.2
94.98087	21.3
96.96029	1.7
97.02959	1.8
101.02431	2.1
106.98068	3.7
122.97583	10.6
125.02435	3.8
134.97591	5.7
136.99147	1.5
148.99197	7.3
152.98636	5.6
164.98636	13.0
206.99638	3.0
225.00748	19.6
237.44623	1.0
239.48300	1.1
255.23364	2.8
279.84491	1.0
283.05032	2.5
304.98837	1.2
341.05237	1.6
429.78253	1.2
823.58154	1.2
831.49323	100.0
832.35400	2.1
832.49780	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.5027
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	7.5
63.98038	3.2
71.50399	4.3
78.95905	79.2
79.95702	3.5
80.96510	13.8
94.98094	3.8
96.96953	14.8
122.97576	6.7
125.02434	2.9
129.30768	3.5
131.16620	3.4
152.99612	24.5
170.20190	3.2
189.99426	3.5
190.54730	3.2
209.37329	3.3
223.00066	5.0
241.01108	30.6
255.23294	55.5
277.21634	35.4
278.22128	4.0
391.22556	5.6
553.27734	6.1
604.48047	4.2
831.50189	100.0
832.50500	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	831.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	6.6
61.98828	100.0
62.76438	1.7
64.57661	1.7
68.99581	5.2
71.01376	4.0
71.51630	2.6
72.99261	3.1
78.95906	16.5
88.98804	7.6
89.02505	1.9
91.81859	1.6
94.84588	1.7
96.95997	2.5
96.96944	2.7
101.02444	2.7
110.53246	1.8
112.98556	4.0
113.02480	1.9
116.92850	5.7
137.42891	1.9
152.99585	5.1
158.16258	1.8
183.10280	2.1
195.10231	5.5
209.11850	1.9
235.08220	10.5
241.01123	4.2
253.09196	9.5
255.23227	15.1
270.81021	1.9
277.21707	33.8
278.22083	2.3
299.18604	12.3
325.18359	2.4
397.13370	4.9
496.31375	1.9
513.30475	3.4
631.02618	2.3
752.04272	1.9
769.53229	2.3
831.49872	15.8
832.49377	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	831.4675
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	18.3
60.99308	16.9
61.98825	88.5
67.26543	5.4
68.99555	14.4
69.03426	6.7
71.01382	13.9
71.51795	6.6
78.95902	68.9
79.33795	6.1
85.02959	8.1
87.00849	7.6
88.98806	62.6
89.02439	13.7
94.89212	5.9
96.96960	12.5
101.02431	11.4
112.98508	10.3
113.02352	6.4
116.92866	20.8
120.75871	6.5
128.36426	6.2
152.99585	15.3
161.02420	11.1
161.04564	6.3
171.10258	22.4
183.01216	27.3
183.10294	11.3
211.13318	10.1
212.45602	6.4
213.38390	5.6
235.08069	12.3
241.01105	21.3
249.18620	46.0
250.19057	7.4
253.09224	48.8
255.23315	22.3
277.21667	56.8
278.21860	7.7
293.43539	6.5
309.20642	31.8
311.16840	100.0
312.17172	8.5
327.21756	96.8
328.22198	8.1
332.85867	6.8
391.22650	6.9
395.00504	7.6
482.30798	6.9
545.29846	29.4
547.30969	6.7
563.30688	14.5
795.48059	12.6
813.37244	20.2
831.49158	48.2
832.48425	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	831.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	12.0
72.99294	0.4
89.02425	0.3
93.03468	0.6
96.95983	0.2
100.95457	0.2
114.99558	0.5
115.00376	10.3
119.05029	43.8
120.05379	1.6
121.02920	0.2
133.01433	20.3
134.01801	0.4
134.03761	0.4
135.04570	0.6
163.04010	100.0
164.04346	3.5
165.05527	0.2
187.62230	0.2
193.05064	0.4
217.38185	0.2
268.04041	0.3
279.05099	4.9
280.05490	0.3
325.34875	0.2
369.52313	0.2
389.12466	0.6
540.01062	0.2
551.17621	0.3
611.84491	0.2
638.75433	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.236
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01380	11.7
72.99314	2.2
73.03022	0.4
75.82739	0.4
87.17577	0.5
89.02440	1.8
94.49811	0.5
96.96045	0.5
98.19887	1.8
115.00372	30.1
119.05027	23.6
120.05375	1.3
123.04469	0.5
133.01428	100.0
134.01778	2.0
134.03732	3.5
135.04535	1.3
137.02460	0.6
149.02458	0.6
149.06104	1.0
150.03252	1.1
150.08784	0.5
151.04018	1.3
163.04007	26.7
164.04390	0.9
165.05521	1.0
178.02713	1.8
178.05090	1.0
181.05168	0.6
193.05043	4.5
195.06558	0.7
222.04088	0.6
235.06219	0.7
255.02869	1.0
271.02524	2.1
279.05170	4.1
300.02789	4.9
311.05576	0.5
337.03455	0.5
338.03900	0.6
341.10248	0.9
342.71530	0.5
358.09201	1.3
389.12396	5.8
395.07675	0.7
551.17633	5.4
552.18335	0.6
553.16919	0.6
741.18866	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	831.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	3.6
69.47979	3.8
70.18141	0.5
71.01384	18.0
72.99308	1.5
78.95921	0.7
85.02947	0.6
85.28407	0.6
89.02433	1.0
93.03481	0.9
95.48206	0.5
96.96011	4.2
96.96959	0.6
98.08439	0.6
115.00375	29.3
119.05025	51.9
120.05369	1.6
123.04579	0.6
133.01433	85.3
134.01721	1.7
134.02702	0.6
134.03725	0.7
135.04520	0.6
149.02528	0.6
150.03249	1.0
158.52893	0.5
163.04010	100.0
164.04340	4.9
165.05528	1.1
168.55081	0.5
177.01970	1.2
179.07071	0.6
186.76195	0.6
193.05054	1.7
201.07584	0.6
255.26393	0.5
279.05057	8.6
317.17291	0.8
362.44269	0.6
377.18906	1.3
389.12924	0.7
553.17273	1.6
699.77161	0.6
715.22589	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.4547
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	3.8
61.98830	27.2
70.02961	1.4
71.01369	5.7
71.52299	1.6
73.02926	1.3
78.95907	2.4
79.35669	0.9
85.02940	2.3
87.00881	1.3
88.98817	0.9
89.02442	2.4
92.05038	2.3
93.03461	1.3
96.95992	2.3
97.02960	1.0
99.92580	2.4
101.02448	2.5
113.02471	1.3
116.92858	15.7
117.01931	1.1
120.04534	3.8
121.02962	1.5
131.03719	1.1
134.93248	1.1
135.04529	1.5
139.11255	1.7
147.03255	3.5
148.04044	66.3
149.04416	2.0
155.10762	3.7
159.04561	1.1
161.04514	1.4
162.77304	0.9
171.10231	3.4
174.88947	1.8
183.10251	72.6
184.10570	4.0
213.09167	1.4
235.08185	5.1
253.09254	8.5
273.37210	1.0
277.21719	100.0
278.22067	8.6
299.63937	1.0
314.13989	4.3
319.27261	1.1
332.15033	1.6
399.73657	1.2
401.18167	1.9
419.19318	3.1
420.19955	1.4
470.55194	1.2
513.30505	3.6
614.95667	1.1
679.40601	2.5
828.45343	7.2
829.45178	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	829.4518
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	2.8
61.98830	100.0
62.52042	1.2
67.41337	1.3
68.99570	2.2
71.01400	4.0
78.95905	4.6
79.43116	1.4
88.98804	6.6
89.02483	1.4
105.03487	4.7
113.02438	2.4
116.92876	3.6
117.68945	1.3
133.02972	3.2
135.04544	1.4
137.81032	1.5
144.60912	1.3
149.02409	7.6
152.99603	2.5
153.09322	1.8
158.69621	1.4
159.04565	1.6
161.39558	1.2
171.10274	8.7
177.01918	4.9
209.04530	7.1
209.11803	2.5
211.13545	1.5
249.18579	12.4
277.21686	10.7
289.18436	1.5
292.32889	1.4
307.19131	8.1
325.20111	2.8
368.79288	1.6
397.13467	3.0
543.28412	5.4
775.46320	3.8
829.30518	4.5
829.45026	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	827.2992
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	9.3
61.98792	1.9
69.63329	6.7
69.63753	6.1
71.01394	4.1
73.02933	3.4
79.95618	1.9
82.02984	8.5
96.96007	6.0
98.20631	3.8
106.94119	2.1
107.05029	5.7
111.52449	2.0
112.04008	1.9
119.05054	4.8
120.04573	4.6
122.06119	5.2
122.09775	7.9
129.05457	2.3
133.01501	2.2
135.04521	27.6
136.03995	2.5
146.02481	2.1
147.03259	3.8
148.04042	34.2
149.04836	11.7
150.04446	3.8
150.05592	51.8
151.05989	2.3
154.05124	3.7
160.02867	2.2
160.04065	8.3
160.07718	2.1
161.04823	23.4
162.05576	4.2
163.02818	3.1
164.03490	14.4
164.07141	4.2
166.08716	7.9
172.05357	2.6
173.03529	7.2
173.04825	6.1
174.02028	4.0
174.04323	39.2
174.05666	5.7
175.02675	2.0
175.05077	12.5
186.05568	9.0
187.06425	3.6
189.06683	12.9
190.07480	38.9
191.05917	3.5
191.08171	7.8
192.03041	3.3
194.04584	13.0
200.07094	12.3
201.07933	21.5
202.07137	3.6
202.08961	13.5
203.05873	5.6
204.06509	2.2
214.05066	3.0
215.06000	4.1
215.07976	2.8
216.06754	4.3
216.63715	2.2
217.07454	2.8
217.09723	3.4
220.09714	2.9
224.07100	6.6
226.08708	7.4
227.68604	2.4
228.06670	14.4
231.07794	7.6
232.08528	43.6
233.09319	16.8
242.08212	7.9
242.10551	4.7
243.07710	8.7
243.08965	6.8
243.11261	3.4
244.08543	28.3
245.06868	12.1
245.09299	23.9
246.07590	5.7
262.09521	3.5
268.08521	4.9
269.06711	2.6
269.09268	4.9
270.07709	6.4
271.14487	13.8
277.10815	3.5
285.08832	3.1
286.09735	11.0
287.07809	6.3
287.10556	11.4
288.08679	3.3
289.11139	3.5
296.14020	4.4
315.13470	11.3
354.18152	6.4
365.18890	3.1
367.17130	2.6
390.18088	2.5
391.16525	5.3
398.17297	7.7
408.19189	5.7
409.17722	6.0
410.17587	3.1
426.20389	8.3
434.17111	5.9
452.18192	41.7
453.17026	14.0
470.19299	33.5
477.18991	3.4
478.16223	3.2
496.16919	4.2
499.15677	6.1
500.16409	2.3
560.22467	9.7
572.22498	5.7
606.92584	2.2
614.23358	33.9
615.22083	41.6
616.22064	5.2
632.24561	100.0
633.25067	12.6
647.23474	2.3
658.22510	7.0
665.24500	19.6
666.24890	3.3
668.52631	2.4
679.23175	2.4
827.29883	56.2
828.29901	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.3197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	11.7
61.98833	3.7
65.18270	1.2
65.99839	1.7
69.91486	7.5
71.01382	3.2
82.02978	15.8
85.02957	1.3
96.96011	3.0
98.20580	1.6
99.03701	1.2
101.02462	1.4
110.02458	1.4
112.04042	3.1
120.04561	4.7
121.06618	1.6
122.02507	1.5
124.04057	2.2
129.05571	2.6
129.28351	1.2
136.03986	1.4
136.07668	3.7
138.05586	2.2
139.02684	1.9
147.03220	2.8
148.02928	2.6
148.04041	33.5
149.04840	12.5
150.05603	31.7
151.63443	1.3
152.03508	2.5
154.05116	7.0
160.04007	11.4
161.04816	42.7
162.05595	8.7
163.02756	4.4
164.03535	15.4
173.03519	8.4
173.04839	3.3
174.04320	36.8
174.05655	6.8
175.05092	39.2
175.06409	23.0
176.05779	4.0
177.06616	3.0
186.05580	3.6
187.06369	17.2
188.05693	1.8
188.07204	8.4
189.06651	11.7
190.07471	73.6
191.05807	2.3
191.08182	8.5
194.57088	1.4
200.07129	7.4
201.07906	8.3
202.03757	3.1
202.07144	11.6
202.08824	5.7
203.04610	3.9
203.08092	2.0
207.05309	2.0
213.10324	4.2
214.11092	12.8
215.05951	2.9
215.08113	1.4
216.06842	2.5
217.07439	13.0
217.09796	3.5
218.10371	1.5
226.12288	9.4
227.09474	6.2
228.06650	6.6
229.07356	1.8
230.10513	1.7
231.07742	6.5
232.08502	74.1
233.07019	1.1
233.09271	29.2
234.09630	1.5
239.08192	1.4
242.08347	2.2
242.10646	6.5
243.07796	6.1
243.11382	3.6
244.09760	27.3
245.06929	3.4
245.09309	12.5
247.08505	3.6
251.12004	2.7
255.07759	2.2
262.09558	3.5
263.10153	1.5
267.07767	2.3
267.14966	3.1
268.08453	4.6
269.09299	2.8
270.07614	2.0
271.08444	4.3
286.09625	26.6
287.10394	16.1
288.08759	5.4
289.09570	14.1
292.14539	5.0
293.12854	3.3
304.10620	7.1
305.11362	12.6
306.12219	1.7
318.11957	3.3
321.15930	2.3
337.10675	6.0
338.11395	6.0
345.14645	1.8
346.15714	3.4
347.14001	2.0
352.16461	2.1
363.16876	1.8
364.16501	3.1
395.14941	2.4
396.15683	2.2
408.15536	2.3
428.17947	2.4
440.18317	1.6
449.15915	5.2
450.16687	6.6
459.31238	2.2
464.18253	2.7
467.16919	27.5
468.17642	26.5
469.18106	1.8
482.19241	36.4
483.19095	5.1
500.20383	37.4
501.20694	5.4
507.19672	3.2
590.23419	14.6
599.18695	1.3
602.23535	6.2
633.93799	1.5
644.24719	9.6
645.23834	8.2
646.25220	1.6
662.25592	100.0
663.26044	24.1
753.29578	4.4
765.30347	1.8
785.02570	1.5
807.30933	5.9
808.31470	2.3
825.32013	46.8
826.32324	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	825.3203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	14.7
65.99858	1.8
69.48526	9.0
69.80886	1.6
71.01385	2.9
82.02989	15.9
95.50997	1.8
96.04552	2.8
96.96008	1.8
98.20709	3.4
101.02457	2.6
105.03465	2.6
109.02998	2.6
110.02468	1.9
112.04025	2.0
113.02424	2.3
120.04546	5.2
129.05592	3.7
135.03296	2.8
135.04489	2.5
136.07701	5.2
138.05547	2.5
139.02751	2.7
147.03206	3.0
148.04042	34.6
149.04814	10.3
150.05605	35.8
154.05064	5.5
160.03990	12.3
161.04819	40.3
162.05563	9.5
163.02742	6.2
164.03531	18.3
173.03534	9.2
173.04817	2.7
174.04317	39.9
174.05617	4.8
175.05092	37.2
175.06407	20.4
176.05782	5.1
177.01895	3.4
177.06764	3.9
182.06186	1.6
186.05614	7.0
187.06378	14.3
188.07251	8.3
189.06670	16.7
190.07462	67.6
191.06052	2.4
191.08131	8.8
200.07172	7.8
201.07895	8.8
202.07129	10.3
202.08801	8.1
203.04607	5.0
203.08051	2.3
209.04480	2.1
213.10323	5.0
214.05060	1.7
214.11061	12.8
215.05931	1.9
215.08127	2.1
217.07446	12.4
217.09563	4.1
218.07896	2.3
218.10396	1.9
226.08725	2.0
226.12360	6.3
227.01894	2.0
227.09506	5.0
228.06604	4.8
229.07372	3.2
231.07748	7.0
232.08513	72.9
233.09258	24.0
240.09113	2.7
242.08344	2.0
242.10588	7.1
243.07777	7.6
244.09781	26.9
245.09114	16.2
246.07631	2.7
247.08574	2.3
251.11935	2.7
255.07837	2.4
262.09464	4.1
267.14893	2.8
268.08606	4.5
269.09198	3.8
271.08621	2.3
275.09201	6.9
286.09604	25.6
287.10416	16.9
288.08533	3.7
289.09631	14.5
293.12997	2.2
295.10773	2.7
304.10632	7.2
305.11298	11.3
307.11850	5.3
318.12100	3.0
337.10632	5.4
338.11398	6.6
345.14413	2.7
346.15683	2.2
352.16675	4.7
364.16528	4.2
395.14841	2.2
396.16190	2.1
428.18396	3.8
449.15826	7.6
450.16632	4.8
464.18286	3.4
467.17001	27.1
468.17703	23.9
469.18463	2.6
482.19275	31.5
483.19281	4.9
500.20349	35.3
501.20901	3.3
507.19348	2.1
530.47510	1.8
530.55444	1.9
590.23578	12.0
591.23785	3.1
602.23541	6.4
644.24347	11.5
645.24164	7.0
662.25641	100.0
663.26282	25.3
753.29547	2.3
807.31824	4.7
825.31879	39.1
826.32104	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	825.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	25.1
61.98825	1.4
64.55701	1.0
71.01373	9.1
73.02946	4.3
83.01394	2.2
85.02961	2.2
87.00860	1.0
89.02428	1.7
91.05534	4.8
93.03471	1.9
95.01396	1.2
96.24858	1.0
97.06580	2.2
101.02444	7.1
103.68756	1.2
107.05022	14.9
108.02161	7.3
109.02983	1.0
109.06443	1.0
113.02431	3.6
115.00392	1.4
121.02910	1.3
121.05390	1.1
124.01653	3.1
125.02453	1.9
134.03716	1.2
135.04527	95.1
136.04828	3.2
136.07738	1.2
137.02463	1.3
137.06053	1.1
150.03192	1.3
150.05516	1.1
151.03976	4.8
161.04680	1.9
164.03505	1.1
167.14413	1.3
174.04283	1.2
175.05063	1.5
179.03604	1.4
181.05096	1.7
189.06696	1.6
190.07393	2.9
224.03186	1.8
232.08479	3.3
233.09236	1.4
237.14944	2.5
255.16119	1.7
277.10754	8.8
287.10123	1.3
321.09793	7.0
399.20090	7.0
417.21329	22.6
418.21613	2.5
459.22351	100.0
460.22668	9.6
467.17087	1.4
468.17700	3.3
500.20026	2.1
533.29791	2.6
662.25836	2.1
663.26270	1.3
825.31476	2.5
840.12482	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.4801
Annotation	Unknow
Peak:m/z	Relative Intensity
59.15838	0.1
61.98829	100.0
62.98542	0.2
63.92114	0.1
78.95916	0.2
79.95731	0.1
80.96519	0.2
91.83898	0.1
109.82949	0.1
127.89690	0.1
142.79082	0.1
143.32608	0.1
152.99623	0.1
182.81122	0.1
277.21518	0.1
447.37021	0.1
632.23236	0.1
696.70355	0.1
734.38379	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.4802
Annotation	Unknow
Peak:m/z	Relative Intensity
60.52810	0.1
61.98830	100.0
62.98535	0.2
70.96708	0.2
78.95908	0.1
80.96517	0.1
106.07069	0.1
188.88153	0.1
294.21710	0.1
574.17468	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	823.4706
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00585	1.2
59.01376	15.2
61.98826	12.3
64.77148	0.5
69.03452	1.1
70.43391	1.5
71.01383	13.4
72.99300	1.3
73.02946	2.2
73.98343	0.5
75.00850	0.6
78.95899	2.8
79.95744	0.5
80.02679	0.5
80.96529	1.7
81.03449	0.5
83.01379	1.1
83.05010	1.2
85.02949	3.1
87.00865	3.6
89.02441	11.6
94.98148	0.6
95.01340	0.7
95.05024	1.0
97.02953	1.7
97.06583	13.6
101.02448	8.7
109.06538	0.5
111.00887	0.7
111.04469	0.7
113.02445	4.6
115.92077	0.9
116.92876	1.1
119.03502	2.5
123.00878	0.6
123.08156	7.3
125.02455	1.9
125.09723	93.7
126.10061	3.9
143.03589	1.0
143.10777	1.4
161.04541	1.5
167.10826	0.8
169.08707	2.7
171.10269	0.5
179.05630	1.6
187.09750	69.8
188.10066	2.8
199.07632	0.5
207.10208	1.2
211.09731	0.6
221.06654	4.5
225.11340	0.7
235.08229	1.0
252.12936	0.5
253.09369	0.6
255.23280	17.4
256.23511	1.4
261.13315	1.0
263.80307	0.5
277.21716	1.6
319.22961	0.8
397.13559	1.3
405.17453	0.7
415.13986	0.6
436.19739	0.6
457.03793	0.6
567.22900	1.2
585.24152	6.0
595.40979	1.2
823.46973	100.0
824.47418	27.3
824.60895	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97563	22.4
59.01383	0.9
61.98831	6.4
69.35432	2.1
69.35834	4.0
71.01379	5.4
78.95912	2.1
78.98586	0.7
79.95737	25.1
80.96516	17.3
82.96089	2.3
85.02966	1.1
87.00868	2.1
94.98081	2.5
95.95207	3.8
96.96011	100.0
98.19910	1.3
99.00853	1.0
108.69458	0.8
122.97579	1.9
125.02465	1.1
137.96295	1.3
138.97079	5.7
150.97050	3.0
164.98660	1.7
176.24471	0.9
196.89400	1.2
222.99179	1.1
225.00719	1.7
277.21747	9.1
295.04907	1.7
402.20898	0.9
477.54956	0.8
501.21613	16.2
502.22116	1.5
517.21027	2.4
573.27350	45.0
574.27643	6.1
602.30103	6.0
616.27509	0.9
632.25647	6.3
642.85925	0.8
657.34320	4.8
658.33844	1.0
821.53442	1.4
822.36591	76.1
823.36865	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	822.4649
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	0.4
61.98831	100.0
62.98513	0.2
68.73515	0.1
71.01398	0.2
78.95905	0.4
80.96523	0.6
84.14677	0.2
94.98134	0.2
98.20757	0.3
104.69720	0.2
118.76026	0.2
119.61392	0.2
143.76288	0.1
179.64127	0.2
207.13968	0.2
235.08376	0.2
249.18755	0.3
253.09273	0.2
265.18127	0.4
266.18549	0.2
277.21713	1.3
278.22092	0.7
661.94855	0.2
733.38757	0.5
759.16345	0.2
805.38416	0.2
823.42169	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5058
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69698	0.9
59.01381	8.6
60.31041	1.1
61.98832	97.0
69.38197	1.8
69.38612	7.0
69.47112	1.0
71.01379	3.9
78.95902	3.8
80.96517	5.4
83.04139	1.1
87.00864	1.2
89.02419	2.2
94.30775	1.0
100.85323	1.0
101.02451	4.1
111.68813	1.1
113.02485	1.4
119.03481	1.4
119.64813	1.0
125.06078	2.2
129.68318	1.2
143.07156	4.9
161.04535	2.7
167.10773	3.8
168.68466	1.2
203.18066	1.7
235.08304	6.3
247.17104	10.7
248.17299	1.4
253.09276	11.0
265.18063	34.5
266.18408	2.9
277.21707	100.0
278.22092	8.7
291.19745	1.5
463.22711	1.1
565.63788	1.1
570.06836	1.1
821.43823	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	819.5299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.4
61.98833	0.4
63.96234	2.7
69.03454	0.9
70.21758	0.6
70.22144	0.6
70.54569	0.3
71.01007	0.7
71.01382	9.7
72.01733	0.3
72.99313	0.4
73.02953	2.5
76.65262	0.3
78.95876	0.5
78.98591	6.9
79.95734	15.9
80.96514	92.3
81.03460	0.6
81.95296	0.5
81.96447	0.8
82.96098	2.1
82.96941	0.5
83.01388	0.8
85.02950	3.6
87.00872	3.6
94.98085	21.7
95.01393	0.4
96.95986	1.9
96.97661	0.5
97.02970	1.8
99.00883	0.8
101.02432	3.5
106.98104	3.7
113.02476	0.4
122.97579	4.5
125.02440	2.9
127.04012	0.9
129.07059	0.3
134.97580	5.9
136.97168	0.3
136.99150	1.8
141.01680	0.6
146.97609	0.5
148.99130	7.4
152.98622	6.6
152.99748	0.6
164.14384	0.3
164.98624	13.7
167.00160	0.7
188.98590	0.5
206.99670	3.3
210.80066	0.3
225.00725	20.0
226.00992	0.9
255.23235	2.1
281.24738	1.4
459.92004	0.4
537.27466	2.7
563.29163	1.3
781.47009	0.3
819.52863	100.0
820.53235	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.3659
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.4
59.01380	100.0
60.01709	1.0
61.98835	1.3
66.39875	0.9
69.03456	1.0
69.58614	2.2
69.59038	4.0
71.01382	39.9
72.99309	3.2
73.02945	17.2
83.01403	5.7
85.02948	17.9
87.00870	2.7
89.01932	1.8
89.02444	22.8
93.45050	1.0
95.01385	5.9
96.95952	1.3
97.02917	1.6
98.19836	1.9
99.00895	2.1
101.02444	19.6
103.68130	1.0
113.02453	40.0
114.02795	1.3
119.03508	8.8
124.01646	2.0
125.02448	5.9
131.03531	1.7
133.02916	1.1
143.03496	5.3
149.04561	1.8
161.04578	9.9
177.01881	1.1
179.05568	6.3
201.04695	1.0
206.74980	0.9
261.84198	1.2
271.09869	1.0
273.93881	1.0
467.29968	3.6
508.12820	1.1
593.33112	2.2
611.34259	19.4
612.34424	4.3
629.35413	41.9
630.35699	5.9
647.36151	7.9
648.37280	1.9
659.30621	3.2
671.36389	15.5
672.36646	3.4
689.37329	11.7
690.37714	2.1
754.68536	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.3656
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.05461	1.9
61.54834	1.7
61.98833	2.6
62.15327	1.9
62.31380	1.9
69.03465	2.3
69.79885	6.6
71.01009	3.0
71.01382	37.7
73.02947	8.0
83.01389	8.0
85.02952	20.6
87.00880	4.5
87.38604	2.1
89.02421	4.0
95.01383	5.2
97.02944	4.9
98.19928	2.4
99.00900	4.5
101.02440	14.5
107.04984	3.1
111.00858	3.8
112.01623	2.0
113.02456	17.7
124.01662	5.4
125.02470	15.6
125.45226	1.6
133.01419	2.3
133.02943	10.8
135.04538	15.7
143.03488	8.5
146.97453	1.8
159.02937	2.8
161.04570	4.7
177.01929	8.5
179.03549	2.1
281.14972	2.0
295.51511	2.1
321.09851	2.2
373.82916	1.9
402.50928	1.8
439.49734	2.0
442.67178	2.0
467.30103	5.1
485.31079	4.1
593.33252	3.1
611.34204	38.4
612.34857	6.9
629.35370	83.2
630.35834	14.8
630.57819	1.8
647.36444	16.9
648.36426	3.0
671.36310	16.1
672.36481	4.3
689.37573	19.5
690.37622	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	819.3654
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.2
59.01378	100.0
60.01712	1.7
64.48671	1.2
69.03446	2.0
71.01381	38.2
72.99306	3.2
73.02946	10.8
81.03460	2.2
83.01392	7.8
85.02950	20.3
86.00108	1.8
87.00874	3.8
89.02438	5.4
91.05496	1.3
92.95044	1.3
93.75188	1.3
95.01378	5.6
96.95979	1.6
97.02946	8.8
98.19905	4.3
98.38683	1.3
99.00883	4.9
101.02441	20.5
105.03420	1.5
107.05043	3.7
111.00865	4.2
112.01691	1.5
113.02443	17.6
115.04025	1.8
117.22724	1.4
119.03487	1.5
124.01656	5.3
125.02437	18.8
133.01395	1.5
133.02948	4.0
134.03725	1.8
135.04523	25.7
143.03474	7.0
151.04025	1.7
161.04515	3.4
177.01886	4.8
201.81631	1.2
209.04572	2.6
261.59961	1.4
277.10739	4.7
281.08078	2.1
321.09671	2.3
341.10184	2.3
342.10834	2.0
371.87067	1.3
467.30081	5.8
485.31198	3.0
486.31332	2.1
494.39990	1.5
563.32300	2.7
593.33392	4.0
593.89343	1.4
611.34174	37.6
612.34430	7.6
628.34204	1.6
629.35358	80.0
630.35767	14.9
647.36371	18.6
648.36462	2.8
671.36456	17.1
672.36646	3.4
689.37402	24.2
690.38062	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	819.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.3
59.01378	100.0
63.41594	1.0
69.03449	2.4
69.46416	7.5
70.33763	0.9
71.01012	1.7
71.01381	28.7
72.99284	2.0
73.02943	13.4
73.88463	1.1
83.01379	6.4
83.05050	1.2
85.02949	17.4
86.00080	1.6
87.00869	3.6
89.02432	4.2
95.01379	4.3
96.96053	1.1
97.02940	4.0
98.20641	1.3
99.00877	2.7
101.01794	1.8
101.02435	21.0
107.05010	2.0
108.21922	0.9
111.00879	2.2
113.02445	17.0
113.54082	1.0
115.04070	1.0
115.07631	3.8
119.03513	1.5
124.01665	3.1
125.02463	14.2
135.04509	13.3
137.21574	1.0
143.03493	8.5
155.03482	2.5
159.02882	1.6
161.04524	3.3
173.04495	1.4
177.01807	1.0
203.05617	1.3
270.33176	1.3
277.10712	1.5
279.23279	1.2
372.50815	1.1
387.29205	1.1
412.23221	1.2
442.05759	1.3
467.30060	2.9
485.31125	2.8
564.94543	1.2
593.33740	1.5
611.34387	31.0
611.80634	1.2
612.34460	5.5
629.35425	62.9
630.35608	10.7
647.36359	15.4
648.37067	1.6
671.36304	11.3
672.37219	2.6
689.37543	18.0
690.37537	4.0
731.38678	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.277
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.5
59.01378	100.0
59.56078	0.7
69.22679	5.9
69.23096	1.9
71.01382	84.6
72.01733	1.3
73.02943	6.2
81.64689	0.7
83.01386	2.1
85.02944	10.2
86.00107	1.6
87.00878	6.2
87.04507	1.0
89.02459	3.1
92.95962	0.7
95.01398	1.7
98.20621	1.4
99.00893	2.2
101.02436	13.8
101.06123	1.6
103.04029	1.1
107.38085	0.7
113.02455	7.2
115.00399	1.6
119.05032	2.5
125.02383	0.8
129.05603	2.2
133.01462	3.6
147.06630	25.5
150.03214	2.0
151.04056	0.8
159.02971	1.8
161.04552	9.2
163.04025	3.9
165.05634	1.0
173.08182	4.5
177.49051	0.7
179.07106	0.8
201.07681	31.6
202.08089	0.8
245.10233	5.0
263.11285	10.0
263.95984	0.8
273.09854	2.0
281.14200	0.9
291.10895	3.3
297.11053	0.9
305.08911	1.6
305.12399	32.5
306.12918	1.6
323.13696	0.9
333.11868	11.0
334.12198	1.2
343.83932	0.8
348.92682	0.8
365.14499	2.8
486.32635	0.8
571.21960	1.3
689.84668	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.272
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00062	2.1
59.01386	33.5
64.67572	2.0
71.01366	5.0
77.25705	2.0
80.11436	1.9
96.81106	2.3
108.02179	3.2
109.02935	14.8
119.05013	5.8
120.05401	2.4
121.02966	8.9
122.03756	9.6
123.04478	2.2
133.01450	2.2
134.03815	4.0
135.04523	22.0
136.01665	66.3
136.04857	7.1
137.05022	3.1
147.04453	4.9
148.05290	3.2
149.02443	21.8
150.03235	74.6
151.04013	100.0
152.04315	3.9
158.03745	3.8
159.04475	14.0
160.05287	37.7
161.02449	6.8
161.06076	4.6
162.02919	2.0
163.03993	8.6
164.04710	6.1
165.05579	65.7
166.05931	2.9
173.06110	5.3
174.17833	1.9
175.03996	2.2
175.07629	28.5
178.06328	9.2
180.04326	4.3
190.06378	2.7
193.08678	10.1
195.06651	32.8
206.04611	9.5
207.04860	4.7
208.05133	3.5
209.00859	5.8
209.08427	4.1
229.14610	2.5
236.04716	4.3
241.04950	2.8
252.04256	9.0
253.05005	5.3
255.06570	3.8
267.06631	38.3
269.04553	2.4
271.02484	2.3
282.08997	29.1
283.09467	3.8
284.06937	4.1
285.07706	11.4
297.11304	53.5
298.11755	5.8
299.09219	32.0
300.02670	2.5
300.09360	2.9
308.75967	2.2
315.12436	3.3
327.12366	5.5
342.09973	6.1
343.10260	7.1
344.10312	5.9
345.13419	27.9
347.11261	12.0
357.13184	6.3
375.14389	9.9
387.14200	3.3
417.14941	2.9
445.16220	3.0
475.17831	3.7
493.18665	42.3
494.18961	5.2
523.19672	21.8
524.20038	2.9
535.19116	2.6
541.20776	35.5
542.21143	5.8
553.21130	6.4
565.20538	3.6
571.21826	95.4
572.22095	15.7
609.14130	3.7
613.22711	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	819.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	5.6
65.07404	3.1
69.29501	29.7
71.01355	4.2
71.89547	3.3
81.03449	3.6
85.25244	2.9
93.03473	4.3
109.02948	10.3
115.00356	9.0
121.02940	11.7
122.03728	14.9
123.00813	3.8
123.04523	5.6
131.51726	3.0
133.01402	21.5
135.04486	6.1
136.01662	43.4
137.02306	3.2
149.02423	40.7
150.03229	100.0
151.04030	51.2
159.04506	5.4
160.05333	15.6
163.03992	8.3
164.04771	12.0
165.05569	99.1
166.05966	5.6
175.07603	12.9
179.07086	3.8
180.04256	5.9
189.05531	5.2
190.06410	4.8
195.06595	51.6
209.06056	3.8
224.22668	3.5
227.03459	11.0
228.04234	14.1
229.04976	13.8
239.07101	4.1
242.05879	23.4
243.06627	44.0
244.07227	12.3
255.06644	4.5
257.08215	33.5
258.08490	3.8
259.09500	4.0
267.06650	19.8
270.27713	3.9
282.08929	14.6
283.09839	4.4
285.07648	3.9
297.11383	39.2
298.11316	4.4
299.09326	16.3
327.12314	13.3
330.10983	6.4
345.13452	29.4
347.11938	4.3
357.13559	48.3
358.13806	7.3
375.14578	7.5
391.11884	6.6
392.12769	15.3
406.13992	6.4
407.14978	30.1
408.14798	6.1
460.15656	4.7
475.17679	19.9
493.18558	30.6
494.18341	4.0
505.18710	73.5
506.18835	7.3
523.19263	16.3
541.20850	64.1
542.21112	5.0
553.20691	96.9
554.21753	15.3
571.21838	45.6
572.22223	9.4
613.21912	8.0
748.69885	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	817.4593
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.7
58.00567	1.1
59.01378	25.4
61.98830	3.4
69.17439	4.2
69.17861	2.9
71.01382	21.0
72.99292	1.7
73.02955	1.9
79.95730	1.1
80.12131	0.7
80.96512	2.2
83.01405	1.2
85.02939	4.4
87.00862	1.7
89.02450	9.1
93.98647	0.7
96.96012	2.8
99.00894	0.7
101.02441	10.2
113.02472	4.2
113.06122	0.9
116.92879	0.8
119.03501	2.1
135.04611	0.7
135.08109	0.9
149.06065	3.2
150.06859	33.1
151.07251	1.6
161.09691	0.9
162.06830	1.5
163.06357	0.7
163.07657	12.3
164.08398	4.8
176.08380	0.7
177.09203	1.5
178.09969	2.0
179.10764	9.1
211.13428	0.8
283.01276	3.2
293.24948	0.8
295.22818	0.9
296.22815	0.7
303.23334	0.8
313.23746	1.4
332.94519	0.9
396.10950	0.7
416.32852	2.5
431.35306	3.9
432.32401	2.4
446.33759	1.1
447.34732	7.4
448.34924	1.5
457.32840	1.3
458.44171	0.8
474.33234	2.2
475.34235	7.2
492.34686	1.6
493.35324	8.4
494.35645	1.6
525.30603	5.7
526.31152	1.5
637.39264	1.9
655.40625	3.0
784.34473	0.8
817.45966	100.0
818.46252	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	818.4956
Annotation	Unknow
Peak:m/z	Relative Intensity
59.22086	1.7
60.99296	2.2
61.98830	59.5
71.01385	2.0
71.51829	2.5
78.95882	2.3
79.95752	2.7
80.96523	15.7
87.05645	3.5
88.68100	1.7
88.98808	8.9
94.98087	1.9
96.96013	2.0
101.27258	1.8
106.98116	2.0
129.10347	16.4
130.08739	1.8
134.89456	3.1
139.08781	4.1
140.07149	1.9
152.99603	1.9
155.08249	4.8
164.09526	3.3
165.10347	4.8
180.11566	2.0
182.12962	3.4
183.11235	1.8
200.14064	4.9
207.14978	14.3
215.20464	1.7
224.17680	6.6
225.00742	3.1
225.16034	4.3
242.11714	2.9
242.18768	10.7
255.23276	2.1
259.14508	4.9
272.79010	1.7
295.21381	8.1
312.17261	1.9
313.22449	3.7
329.19812	2.2
330.18198	1.8
337.26010	7.1
346.88388	2.2
355.27200	5.4
371.24091	2.6
539.39490	3.1
542.22803	2.1
575.93262	1.9
576.77765	2.1
782.51807	100.0
783.51965	22.8
818.50104	14.7
819.52814	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	817.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	3.5
59.01381	100.0
61.98826	2.3
65.24628	1.4
69.03461	3.6
69.48994	11.0
71.01385	48.6
73.02952	10.7
75.00851	1.6
81.03448	1.7
83.01395	7.7
85.02945	26.1
85.06574	2.3
87.00874	5.2
89.02435	10.9
95.01375	5.9
96.96004	2.3
97.02937	9.0
99.00845	4.4
101.02436	23.2
111.00869	3.5
112.01684	2.1
113.02448	24.7
115.95321	1.5
119.03489	1.9
124.01667	3.5
125.02444	17.8
133.01376	2.0
134.03569	1.9
135.04562	10.7
143.03491	8.5
159.03049	1.8
161.04555	6.0
179.03590	1.5
179.05423	1.5
236.73315	1.5
247.04428	1.6
277.21692	2.7
321.24469	1.8
349.02133	1.5
355.83359	1.6
465.28488	9.3
483.29550	5.8
573.30359	2.9
591.32141	3.4
609.32758	40.8
610.32928	7.2
627.33801	78.3
628.34027	16.1
645.35010	22.6
646.35406	2.5
669.34985	17.3
670.35138	3.9
687.35986	14.2
688.36353	3.2
743.82306	1.6
768.05298	2.2
817.45105	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	817.382
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01711	1.0
61.98830	62.3
64.76556	0.5
69.03477	0.7
71.01385	3.3
78.95912	0.7
79.95750	1.2
80.96513	7.0
82.96088	0.7
85.02948	1.2
87.00880	1.1
89.02463	1.9
94.98081	0.5
97.02955	1.8
101.02484	2.2
103.92083	1.0
113.02454	1.1
116.98486	0.6
123.89562	0.5
125.02445	1.0
139.00272	0.7
139.74043	0.6
141.01704	49.1
142.02060	1.0
142.05135	1.1
143.87392	0.7
148.72557	0.7
152.96075	0.6
152.98524	0.7
161.04541	0.9
164.98705	0.9
225.00722	1.3
235.08334	1.0
243.04964	0.7
274.02789	0.6
277.21732	5.4
278.22028	0.6
281.74689	0.6
313.64789	0.6
318.52939	0.6
359.21973	4.7
397.13458	12.2
398.14102	1.0
415.14670	2.3
419.11896	2.3
437.12802	3.8
469.06473	2.6
697.34058	1.2
817.50970	5.4
818.51697	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
59.74962	0.1
61.98826	0.4
65.31104	0.2
68.99555	0.3
71.01398	0.1
71.52151	0.2
79.85949	0.1
80.96512	1.0
82.96059	0.2
99.92584	12.2
100.92601	0.5
112.98552	0.2
114.93410	0.6
116.92860	100.0
117.92869	4.9
152.61916	0.2
166.60867	0.1
183.20854	0.1
207.76779	0.2
227.94316	0.2
817.50812	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.35
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.8
58.00614	0.8
59.01379	100.0
60.01714	0.9
69.03454	3.4
69.23454	6.9
71.01382	25.8
72.99313	0.8
73.02942	7.6
81.03453	0.7
83.01379	6.6
83.05002	0.8
85.02951	15.5
86.00109	1.6
87.00896	2.7
89.02457	2.8
95.01384	3.9
97.02945	4.4
98.05958	0.7
98.19876	1.5
99.00867	4.0
101.02445	15.3
111.00905	2.3
112.01681	1.7
113.02447	14.7
115.04052	2.2
119.03544	1.1
124.01672	2.9
125.02451	12.6
134.03745	1.5
135.04530	2.6
143.03487	8.0
159.03003	1.1
161.04544	3.3
193.05148	2.2
239.87283	0.7
281.08276	1.6
321.24463	1.4
341.10315	4.4
465.28625	3.1
483.29871	3.1
549.30670	1.1
561.30835	1.4
573.30841	1.8
579.31854	0.8
591.32202	2.0
609.32697	32.9
610.32800	4.5
627.33820	57.2
628.34076	10.0
645.34869	16.9
646.35883	3.0
669.34808	10.8
670.35010	1.4
687.35913	14.9
688.36353	3.3
729.36987	1.2
784.17804	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.2
59.01377	100.0
60.01727	1.4
64.27068	0.7
68.99841	1.0
69.03445	2.9
69.17750	8.5
69.39026	0.9
71.01381	38.7
71.01784	1.9
72.99304	2.0
73.02947	11.7
76.10931	0.8
81.03452	1.7
83.01388	7.7
85.02948	21.6
87.00863	5.0
89.02447	11.6
95.01391	5.5
97.02981	4.5
98.19926	1.6
99.00851	4.4
101.02441	22.9
106.97668	0.8
111.00870	2.0
112.01663	1.6
113.01717	1.8
113.02449	24.9
113.03259	1.3
119.03523	4.3
124.01682	2.6
125.02438	12.7
133.01459	1.1
139.07637	1.4
143.03497	10.2
155.03439	1.2
161.04590	4.1
178.02608	0.9
182.17029	0.9
263.55551	0.9
321.24231	1.4
465.28574	7.1
483.29660	5.0
535.29285	1.2
549.30280	1.0
550.28467	1.0
561.30377	2.0
573.30652	2.0
579.30994	1.2
591.31885	3.6
609.32843	32.3
610.33063	5.9
627.33820	79.3
628.34143	14.5
645.34875	20.0
646.34991	4.0
669.34955	8.8
670.35028	1.8
687.35907	9.0
688.36426	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	3.9
59.01379	100.0
69.03456	2.2
70.27414	2.8
70.27805	2.3
71.01380	42.6
72.99325	1.7
73.02937	11.1
75.00815	1.3
83.01373	7.4
85.02955	22.9
87.00878	5.2
89.02437	13.4
95.01397	5.1
96.95994	1.6
97.02934	5.9
99.00868	3.7
99.04535	1.3
99.96066	1.3
101.02446	20.6
111.00876	1.9
112.01667	2.6
113.02444	26.3
115.04065	1.8
119.03484	3.2
124.01676	2.0
125.02454	11.6
143.03464	9.3
159.02954	1.3
161.04594	3.2
465.28632	6.9
483.29391	3.2
573.30109	1.6
579.31158	1.7
579.90222	1.3
591.31171	2.8
609.32788	32.5
610.32916	5.3
627.33838	76.8
628.34265	14.9
645.34863	18.0
646.35028	3.9
669.34814	8.5
687.36108	9.7
688.35828	2.8
826.99994	1.3
828.62280	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.5
57.97580	0.5
58.00602	0.6
59.01379	100.0
60.01718	0.9
63.00555	0.4
69.74289	1.2
69.74701	0.9
71.01379	12.5
72.99304	0.9
73.02946	9.1
75.00883	0.4
77.38139	0.4
79.53879	0.4
83.01381	3.0
85.02955	4.0
87.00888	0.4
89.02444	7.6
95.01406	1.6
101.02442	13.1
109.02962	0.4
113.02449	9.2
119.03501	3.3
119.05096	0.3
121.02990	1.2
131.03517	2.1
133.72145	0.4
135.04553	1.0
143.03545	1.6
149.04568	2.8
150.03169	0.4
152.03618	0.6
161.04555	4.7
176.24530	0.4
179.05661	1.5
183.07646	0.4
197.11850	0.6
203.05640	0.5
221.06578	2.0
237.05450	0.4
253.08774	0.5
261.05621	1.5
267.06592	0.5
269.08249	2.6
270.08939	1.2
277.11011	0.4
281.08118	2.4
282.09158	0.6
300.29141	0.5
311.09274	2.0
326.07870	0.7
329.10269	16.4
330.10690	1.3
341.10321	6.5
342.10840	0.5
359.11456	3.7
359.16864	0.3
360.11923	0.7
371.20810	2.5
413.21860	3.2
414.22403	0.4
691.17554	0.4
796.55927	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
58.05476	1.2
59.01380	10.7
61.98814	1.6
71.01382	4.6
71.51777	2.1
73.02917	1.8
78.95882	1.4
93.03458	2.2
96.96069	1.8
101.02466	2.1
105.03485	1.6
108.02176	2.2
113.06075	1.7
120.27392	1.5
121.02959	12.2
122.03725	5.5
123.04526	10.2
133.01414	5.4
133.02921	3.2
134.03740	8.1
135.04527	23.5
136.01653	2.6
145.02922	3.7
146.03723	4.5
147.04445	2.3
149.02431	11.4
149.06079	6.9
150.03235	47.1
150.92329	1.4
151.04024	16.3
161.05991	1.5
164.04782	4.7
165.05586	30.6
166.05917	1.9
178.05045	1.5
179.07133	10.0
180.04257	2.3
181.05070	9.4
187.07544	1.4
194.05824	1.8
195.06628	10.5
237.05457	2.1
239.07144	2.4
251.06886	2.1
253.04970	3.7
253.08606	2.1
254.05608	1.6
255.06578	5.2
265.08817	3.6
267.06555	12.4
267.09332	1.9
268.07278	3.7
269.08145	16.4
270.08740	2.1
271.23398	1.4
277.10870	2.7
280.07062	1.7
281.08148	5.7
282.08792	1.5
283.09598	8.8
284.10623	2.0
295.06400	1.7
295.09677	4.0
296.10388	2.7
297.11267	2.2
298.12033	1.9
300.02798	1.5
311.09198	14.7
312.09830	1.7
313.10590	2.1
325.10712	2.5
327.12332	3.5
328.09387	5.2
339.08746	1.8
340.09509	21.7
341.10303	14.6
342.10580	2.5
343.11835	41.5
344.12122	2.2
353.09991	3.4
354.10434	1.7
355.11868	27.9
356.11780	3.0
357.13486	1.9
371.11200	3.8
373.12665	3.8
397.12732	2.7
404.70688	1.6
407.95581	1.3
427.13867	1.8
431.15128	7.9
432.15198	2.1
447.09174	2.0
459.14423	2.0
462.11890	1.4
491.17169	13.1
503.16815	3.8
521.18158	26.4
522.18219	2.9
551.19116	8.3
552.19855	2.3
569.20233	100.0
570.20819	18.0
611.21600	1.6
773.26788	10.0
774.26514	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	817.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.1
66.93652	0.6
70.14970	0.5
71.01382	16.8
71.51855	1.1
72.01708	0.6
72.99301	0.8
89.02441	0.7
91.16966	0.6
93.03505	0.8
102.36652	0.6
115.00378	24.1
115.28995	0.7
119.05029	49.9
120.05392	1.3
133.01434	66.0
135.04503	0.6
146.03699	0.8
160.81952	0.6
163.04012	100.0
164.04340	4.1
179.07144	2.0
180.80518	0.6
181.08748	0.7
193.05113	0.6
265.05334	1.2
279.05096	7.4
289.07233	0.9
713.38531	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
61.63256	0.3
66.41819	0.3
71.01381	14.2
71.52251	0.7
72.24412	0.3
72.99315	0.7
74.45159	0.3
74.69758	0.3
80.41848	0.3
83.21852	0.3
89.02470	0.6
115.00372	15.9
119.05025	50.6
120.05377	2.3
132.87302	0.3
133.01428	39.2
134.01758	0.7
135.04559	0.3
163.04004	100.0
164.04350	4.6
207.09782	0.3
231.27852	0.4
279.05124	4.9
280.05539	0.3
471.20251	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	2.7
59.52129	0.4
61.72511	0.3
63.02389	0.8
65.00319	1.0
67.67054	0.3
68.90506	0.3
69.84775	0.9
69.85175	1.4
69.90841	0.4
71.01365	1.2
73.02954	0.7
73.95688	0.3
76.55218	0.3
79.00984	0.3
83.01380	1.0
88.02617	0.4
93.03422	0.4
98.20712	0.4
101.02425	0.9
107.01395	2.4
108.02174	1.2
109.02940	1.6
119.01408	0.4
121.02934	3.3
122.03724	0.7
123.04549	2.7
125.02527	0.4
134.03700	0.6
135.00865	0.6
135.04550	0.7
137.02406	0.7
145.02943	0.6
146.03735	0.5
148.01672	0.8
149.02425	0.8
149.06116	0.6
150.03233	3.9
150.99203	0.5
151.00372	10.2
151.04008	6.7
161.05997	0.5
163.00352	2.6
164.01138	0.6
165.05576	1.9
178.99861	4.8
181.05048	0.7
183.04411	0.5
192.00702	0.5
195.02982	0.4
195.06627	0.9
196.03754	0.7
201.05559	0.5
203.03500	0.4
211.03938	0.8
226.02739	1.0
227.03435	2.1
229.04980	0.6
243.02979	4.9
244.03375	0.5
245.04514	1.8
254.02167	0.9
255.02971	16.1
256.03387	1.2
267.06589	0.9
269.08188	1.2
271.02472	27.8
272.03052	2.3
273.04071	1.5
283.02451	1.8
284.03311	0.5
293.10257	0.6
299.02176	0.9
300.02740	59.0
301.03491	46.0
302.03796	2.7
305.44168	0.4
311.09235	1.1
325.12927	5.0
328.09717	0.4
340.09564	1.6
341.10303	0.8
343.11905	3.1
355.11975	2.1
368.99524	0.4
431.15106	0.8
447.09305	100.0
448.09668	11.2
491.17114	0.9
521.18103	2.4
551.19055	1.2
569.20325	6.8
570.20477	0.8
773.26910	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47878	0.2
59.01382	0.9
61.98830	100.0
71.01383	0.5
72.99297	0.2
78.98611	0.2
79.95750	0.4
80.96519	3.1
87.00893	0.3
88.98828	0.5
93.14587	0.2
94.98108	0.8
96.96056	0.2
101.02506	0.2
101.82295	0.2
129.44110	0.2
141.01733	0.3
152.98587	0.2
164.98645	0.5
176.07059	0.2
203.15179	0.2
204.98274	0.2
225.00768	0.5
233.55939	0.2
477.11682	0.2
795.18262	0.2
815.50385	0.5
816.50250	2.5
817.51520	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01709	1.5
62.95776	0.4
71.01386	10.1
71.51569	0.6
72.00909	1.3
72.99325	0.6
73.02943	3.6
83.01395	1.3
85.02962	3.3
89.02436	5.3
93.03468	1.9
100.00402	2.0
101.02430	5.8
107.05038	5.5
109.02975	1.1
113.02460	3.8
117.03471	2.0
119.03558	1.7
119.05030	34.1
120.05355	1.2
121.02969	0.6
123.04543	2.3
125.02450	0.6
133.02956	7.2
134.03738	2.3
134.06088	1.2
135.04527	99.3
136.04909	4.0
143.03430	0.6
145.02957	9.5
146.03334	0.8
147.04492	0.5
147.53059	0.6
148.05270	0.6
150.05560	0.9
151.04051	0.6
152.07198	0.7
160.04031	1.8
161.02448	26.3
161.04582	2.2
162.02768	1.1
162.05666	0.7
163.04012	21.0
176.03546	1.0
176.07130	1.2
178.05106	10.3
179.03471	1.4
179.05554	0.7
180.06683	5.7
189.12804	2.2
196.06175	0.5
203.05574	0.6
206.04584	58.4
207.01155	1.0
207.04942	2.3
207.13853	0.7
222.04088	7.4
293.12939	0.7
298.10809	2.0
342.09802	76.0
343.10092	6.9
369.19263	2.8
387.20328	6.7
388.20508	1.0
429.21265	8.9
430.21719	1.4
462.48041	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	2.6
63.74407	0.7
63.96237	2.2
64.64971	0.5
69.03432	1.0
69.37189	3.3
71.01381	9.7
73.02950	2.7
78.98589	7.9
79.95734	17.5
80.96519	100.0
81.03462	1.3
82.09379	0.5
85.02946	4.1
87.00873	3.9
94.98088	23.1
96.96014	1.4
97.02948	3.3
98.19790	0.6
99.00897	0.6
101.02464	3.0
106.98088	4.0
122.97619	4.9
125.02458	3.7
127.04004	0.8
134.97585	7.4
136.99158	2.0
141.01768	0.6
142.55641	0.6
146.97629	0.8
148.99153	8.5
152.98624	7.2
152.99744	0.6
164.98633	14.9
206.99643	2.8
225.00740	20.9
232.97479	0.8
255.23381	2.6
277.21790	1.4
283.05078	0.9
341.36383	0.6
537.27350	1.7
559.25958	1.7
686.47534	0.6
815.49835	99.4
816.50104	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.4
57.97565	24.3
58.00580	0.9
59.01381	100.0
60.01738	1.4
69.03460	1.9
69.68198	0.7
71.01384	36.7
71.52106	1.3
72.99296	1.9
73.02952	13.5
78.53470	0.7
83.01391	9.3
83.06153	4.9
85.02956	13.7
86.00016	0.9
87.00874	5.1
89.02453	7.8
95.01402	4.1
97.02945	2.0
99.00887	4.3
101.02443	21.3
102.82463	0.8
105.03504	0.8
111.00844	1.0
113.02454	18.3
118.98092	3.0
119.03477	3.1
125.02475	7.8
130.03328	3.4
131.03493	1.5
133.01390	1.2
134.03839	1.0
135.04523	6.0
143.03534	6.5
149.04613	1.1
155.11902	4.9
159.02972	1.6
161.01767	2.6
161.04543	9.1
168.06604	1.0
170.03932	10.1
177.78421	0.9
179.05612	1.8
185.04535	1.2
189.10367	2.2
189.47937	0.8
193.05034	1.1
197.90976	4.8
203.05635	1.7
204.02335	3.1
205.03119	2.3
209.04614	1.1
221.06645	1.7
247.07825	17.9
248.08218	1.7
263.07678	2.5
287.07642	1.1
293.09991	1.1
317.17203	5.7
359.18210	10.1
360.18375	1.1
397.14038	1.1
436.12704	10.8
439.15463	2.1
454.14069	1.1
461.21396	8.6
478.13846	7.5
478.21298	1.6
479.22556	1.7
496.14996	6.3
497.15421	1.0
503.22656	5.2
521.23663	7.7
522.23804	1.5
524.20544	1.0
538.15930	3.1
563.24573	5.2
626.23657	4.0
644.24817	9.9
645.25208	1.8
668.25000	1.9
686.26038	25.0
687.26306	3.2
728.26843	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	815.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98819	0.8
62.78532	0.5
63.96238	2.0
69.03468	1.1
71.01382	10.8
73.02946	1.9
78.95910	0.6
78.98594	9.1
79.95740	18.6
80.96518	100.0
81.03448	1.2
85.02951	4.3
87.00883	3.6
94.98090	21.5
95.01346	0.6
96.96017	1.7
97.02945	2.0
99.00890	1.2
101.02415	2.9
106.98106	4.5
122.97593	6.0
125.02472	3.5
127.04029	1.3
134.97591	5.9
136.99126	1.9
148.99144	8.2
152.98607	7.9
164.97321	1.0
164.98631	14.0
170.37924	0.6
206.99673	2.5
225.00729	19.0
226.00990	0.9
229.40128	0.6
255.23355	1.9
277.21725	1.1
331.06171	0.6
382.74567	0.5
457.36707	1.4
469.42960	0.5
537.27399	1.7
559.25818	1.8
815.49860	92.9
816.50195	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	813.457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.11731	6.1
61.98830	100.0
67.23164	6.1
68.99576	51.5
70.51740	7.5
71.01353	7.5
71.52076	7.7
78.95908	24.9
79.95726	10.4
80.96514	35.3
98.78709	5.7
112.98575	33.8
115.80301	5.9
152.99605	8.9
214.03922	6.2
222.28371	6.6
249.18541	26.4
255.23315	14.1
268.56378	6.8
277.21613	14.1
291.19687	10.9
309.20834	17.0
320.32300	8.0
536.05750	6.7
557.61444	6.7
795.39697	6.9
813.43396	40.9
814.43427	8.3
836.35205	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	813.4578
Annotation	Unknow
Peak:m/z	Relative Intensity
61.94075	0.5
61.98833	7.2
68.12195	0.4
68.99571	100.0
71.01392	0.7
78.95901	1.7
80.50828	0.5
80.96507	2.5
88.98796	0.6
94.98070	1.0
101.47968	0.5
112.98566	79.9
113.98914	1.0
131.25569	0.5
133.02951	2.2
134.03761	0.8
135.04535	4.7
161.02444	6.7
164.98631	0.9
179.03500	1.9
190.58510	0.5
197.11795	0.6
209.11809	1.1
225.00690	1.1
233.55734	0.5
241.01173	1.0
249.18547	1.3
255.23247	1.1
277.21689	1.1
309.20520	0.7
429.22672	1.0
436.39853	0.5
447.24017	0.7
632.55402	0.6
699.44751	12.1
700.45020	2.1
781.41504	0.7
795.40375	0.7
813.43671	4.6
822.77582	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.2
58.00594	1.2
58.81546	0.6
58.85500	0.6
59.01380	82.4
61.98829	0.9
69.03462	1.0
71.01383	26.3
71.36974	0.6
72.99323	0.8
73.02943	8.6
74.63216	0.5
83.01393	5.0
85.02949	10.4
87.00876	1.3
89.02441	13.1
89.02940	1.0
95.01409	2.1
96.96032	2.3
97.02946	1.1
98.19867	1.6
99.00877	2.6
101.02441	18.8
113.02448	11.3
119.03497	5.7
124.01726	0.5
125.02480	1.1
131.03529	1.4
143.03510	1.6
149.04587	0.8
161.04539	3.7
166.79456	0.5
179.05600	1.2
203.05478	0.6
241.67987	0.6
301.21561	1.0
317.21219	1.1
325.07501	0.6
351.92026	0.6
435.27704	3.2
461.25507	1.5
479.26346	3.8
500.26270	0.8
503.26639	2.0
521.27539	100.0
522.27972	14.0
563.28583	2.8
592.67773	0.6
753.44165	1.1
771.45081	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4565
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
68.99572	58.8
70.79661	4.4
71.38594	4.1
78.95889	22.0
79.95750	6.0
80.96519	30.0
94.98071	8.3
112.98572	53.3
152.99623	5.2
223.13388	5.1
225.00739	10.5
241.01134	5.1
249.18594	8.9
255.23239	10.8
277.21771	10.8
290.32928	4.2
301.29816	4.6
308.87717	4.3
309.20767	12.1
407.39728	5.6
462.36606	4.8
626.39417	4.5
699.44757	10.4
795.40997	5.3
813.43719	36.3
814.44421	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	813.4531
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.8
61.98829	12.0
68.99574	100.0
78.95909	2.4
79.95776	1.1
80.96528	4.4
92.67059	0.7
94.98074	0.8
96.95956	0.8
103.77973	0.6
112.98569	88.1
113.98886	1.1
121.63776	0.8
133.02969	1.0
135.04533	3.3
161.02460	5.6
164.98581	0.8
170.47401	0.7
179.03496	1.3
191.42873	0.7
209.11833	1.1
225.00758	1.3
255.23384	1.1
277.21838	2.9
281.17627	1.2
368.19772	0.8
699.44763	8.7
700.45740	1.7
813.43805	6.0
814.43884	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	811.467
Annotation	Unknow
Peak:m/z	Relative Intensity
58.43940	0.4
59.01374	1.7
61.98829	4.3
65.90331	0.3
68.53993	0.4
69.27435	0.6
69.27834	3.1
71.01376	1.4
79.95734	0.8
85.02954	0.5
89.02464	1.0
96.96024	0.5
98.19859	0.6
99.92588	0.6
101.02425	1.0
104.29894	0.4
107.04997	0.4
111.04470	0.3
111.08199	0.5
113.02448	0.4
115.36026	0.4
115.92083	0.4
116.92863	1.5
119.03529	0.5
119.04991	0.4
135.04498	0.8
161.04572	0.4
169.08656	0.5
170.00392	0.8
171.10240	1.0
183.01199	27.4
184.01645	1.6
192.33859	0.4
197.02748	0.8
197.11827	1.7
198.12193	0.8
207.10278	0.6
209.11707	0.8
211.13391	1.6
216.01076	0.7
223.13370	1.1
229.14465	1.1
235.08275	0.7
237.14883	0.6
249.18547	5.6
253.09250	4.3
281.17499	1.1
282.18039	0.7
283.18610	0.5
291.19455	0.7
297.15274	100.0
298.15619	7.4
309.20755	2.5
310.21161	1.3
311.21399	0.9
325.20233	1.2
343.21194	7.1
344.21426	0.6
561.28717	0.5
749.52075	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.4
61.98834	4.0
71.01403	0.3
71.52827	0.3
73.02940	1.5
78.95922	0.8
99.22242	0.2
99.92586	12.1
100.92561	0.3
114.93430	0.4
116.92862	100.0
117.01946	2.7
117.14112	0.3
117.92879	4.4
163.42261	0.2
166.39313	0.2
242.30070	0.3
249.18710	0.3
255.23332	0.6
272.56052	0.3
277.21759	0.7
278.21790	0.3
346.92245	0.2
375.39709	0.3
489.17706	0.3
735.86218	0.3
811.41168	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.4
61.98829	100.0
70.73257	1.4
71.01382	1.9
71.51550	1.4
73.30179	1.4
74.78452	1.2
78.95901	5.0
79.95762	1.2
80.96493	2.4
87.00861	1.2
88.84540	1.3
88.98811	2.7
89.02452	1.7
93.02599	1.2
94.98075	2.6
103.31010	1.3
123.08149	1.7
152.99600	1.7
163.91737	1.0
177.01999	1.3
235.08173	1.8
249.18553	3.9
255.23227	4.5
277.21738	4.6
278.22043	2.2
284.13406	1.2
289.18066	6.1
449.00104	1.3
465.99789	1.5
593.30286	1.4
811.43634	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	811.4667
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.1
61.98833	4.9
62.68336	0.4
71.01366	0.4
71.51102	0.4
76.17173	0.4
78.95900	1.1
79.95740	1.0
80.91679	0.5
96.96013	1.6
96.96989	0.4
101.02445	0.4
102.24898	0.4
108.51650	0.4
116.92842	0.6
119.05019	0.6
123.08309	0.4
128.15486	0.3
170.00409	0.9
171.10321	0.5
175.11418	0.4
183.01204	26.7
183.25792	0.4
184.01880	2.4
197.02719	0.9
197.11832	0.7
198.03575	0.6
216.01004	1.3
230.02527	0.6
230.29713	0.5
233.19212	0.4
239.07507	0.6
253.09250	1.1
270.46704	0.5
277.21729	1.2
283.19125	0.8
297.15289	100.0
298.15622	7.5
309.20676	0.9
423.40485	0.5
446.56586	0.5
790.05579	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.3042
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	10.1
62.80840	2.5
69.72860	8.0
69.73267	5.3
71.01379	4.6
82.02975	12.5
85.98193	2.3
86.15146	2.5
96.96043	3.3
103.87025	2.6
106.06582	3.9
108.04568	3.9
108.08186	6.7
112.03999	3.7
115.00351	3.9
120.04519	8.1
133.01489	3.3
134.06094	2.5
135.04494	4.2
136.07658	4.1
138.09340	3.8
148.04047	35.4
149.04771	10.3
150.04453	4.5
150.05611	72.9
154.05064	5.4
160.04070	7.9
161.04854	22.6
162.05476	5.9
163.02666	3.1
164.03491	11.9
173.03532	16.2
173.04848	3.8
174.04335	44.6
174.05649	6.1
175.05087	27.5
175.06410	9.6
177.06773	2.8
179.03429	3.1
180.06618	9.1
182.08208	10.9
186.05515	3.4
187.06360	6.6
188.07202	5.7
189.06714	25.0
190.04987	4.4
190.05557	3.4
190.07466	60.5
191.05878	4.3
191.08098	8.1
200.07179	3.4
200.10904	2.4
201.07945	6.9
202.03723	2.8
202.07239	5.5
202.08746	8.9
203.05986	5.2
203.08151	5.0
204.06567	3.2
213.06613	2.9
213.10298	2.7
214.11053	5.1
215.05829	3.4
215.08127	6.6
217.07373	7.0
217.09718	3.4
219.11401	3.6
228.06599	6.7
231.07668	12.2
232.08504	63.5
233.09286	31.7
241.09885	3.6
242.08156	3.1
242.10487	2.5
243.07581	11.6
243.11386	5.5
244.08203	32.9
245.06885	4.4
245.09253	32.8
262.09390	3.3
267.07507	3.6
268.08600	5.2
269.09244	3.7
285.08722	3.6
286.09628	16.1
287.10287	21.2
287.14008	15.8
304.10791	3.2
312.13461	4.9
331.12933	13.4
337.10544	3.4
370.17694	10.3
382.17740	5.6
407.16113	3.1
414.16513	9.3
424.18799	7.3
425.17450	3.7
426.16757	9.8
442.14365	2.7
442.19656	17.4
450.16422	6.6
468.17737	56.2
469.17844	8.6
486.18839	49.6
487.19263	7.1
533.20215	3.4
545.20392	3.4
576.21960	12.0
577.22229	3.0
588.22064	7.4
605.26355	7.6
630.23138	8.6
631.23083	11.4
632.23560	2.7
648.24030	100.0
649.24756	49.6
650.25708	4.9
739.28027	4.1
793.29077	8.8
811.30316	73.9
812.30780	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	811.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72998	1.7
59.01369	16.4
60.16774	1.6
61.60026	1.7
61.98809	4.5
64.79379	1.9
69.19999	13.1
69.20420	4.8
71.01366	5.7
76.20367	2.0
82.02978	13.7
94.02967	2.3
96.96020	2.4
101.02437	1.8
106.06591	6.3
108.04566	3.5
108.08195	9.6
112.04005	2.8
113.02460	2.7
115.00388	3.7
120.04527	6.2
122.06172	2.4
127.34528	2.0
133.01384	6.7
135.03056	3.1
135.04530	8.8
136.07661	2.6
138.09251	2.4
147.03273	3.2
148.04037	40.7
149.04817	12.7
150.05594	74.9
151.05884	3.6
154.05060	4.3
160.04022	8.3
160.07660	2.3
161.04797	23.4
162.05563	6.3
163.02719	4.7
164.03517	14.4
173.03510	18.9
173.04793	3.3
174.04320	43.2
174.05609	6.7
175.05067	27.0
175.06392	8.2
176.05667	2.3
177.06648	2.2
180.06639	6.2
182.08167	10.0
185.04926	1.8
186.05531	3.8
187.06380	8.0
188.07111	3.0
189.06644	21.4
190.04988	3.6
190.07454	61.0
191.05791	3.5
191.08217	10.9
200.07137	7.2
201.07880	8.9
202.07378	7.7
202.08759	7.8
203.05956	4.9
203.08145	2.3
204.06609	3.7
213.06627	2.4
213.10309	3.8
214.05119	2.1
214.11057	7.0
215.08214	6.4
216.06676	4.7
217.07507	4.0
217.09729	4.2
226.08681	2.7
228.06673	7.5
231.07767	10.2
232.08504	60.2
233.09239	32.1
241.09811	2.6
242.08246	4.0
242.10606	4.9
243.07591	13.4
243.11243	2.6
244.08101	25.8
245.06818	3.9
245.09229	34.3
262.09537	4.0
267.07523	2.0
268.08548	7.0
268.48917	2.0
269.09372	6.0
281.08212	2.8
285.12183	2.2
286.09518	19.5
287.07849	2.2
287.10315	22.0
287.13934	15.1
305.11304	3.4
312.13571	5.0
331.12927	11.5
370.17554	13.5
381.18341	2.3
382.17673	6.9
393.29959	2.6
400.18555	3.1
406.17841	3.3
414.16556	9.5
415.17236	2.3
424.18903	8.2
425.16931	2.5
426.16763	6.2
442.19806	18.2
443.19781	2.7
448.13635	2.0
450.16602	6.7
467.17090	6.4
468.17703	67.7
469.17374	8.5
485.18143	2.6
486.18820	57.6
487.19113	6.2
491.09796	3.1
493.18555	2.3
533.20117	5.5
545.20612	2.8
546.20453	2.8
576.22198	11.3
577.22058	4.4
588.22150	3.7
589.21466	2.0
605.25775	7.8
630.22778	15.0
631.23035	14.5
648.24042	100.0
649.24744	43.6
650.25452	4.3
681.23901	2.1
739.28253	3.9
793.29260	4.3
811.15570	4.3
811.30408	68.2
812.30688	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	811.246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	10.3
61.80105	2.1
71.01370	6.8
71.52119	2.9
78.95869	3.4
84.44521	2.5
85.02972	2.3
89.02450	3.2
89.03957	2.6
101.02412	2.8
104.99647	2.2
105.03447	5.0
109.02944	4.6
115.00381	3.2
119.04955	2.8
132.92935	2.8
133.01424	4.1
133.02965	5.0
135.04533	13.6
137.75087	2.4
145.03017	3.8
149.02391	3.4
150.05659	3.2
159.04451	3.3
177.01888	10.0
199.03926	2.5
209.04437	2.9
239.07211	2.7
241.05125	2.5
242.60899	2.4
253.08699	3.4
264.08014	2.6
267.06580	13.2
268.07104	2.8
275.09183	11.6
280.07297	7.3
281.08145	9.8
282.08749	3.2
295.09695	11.0
296.10355	5.1
307.11755	9.1
340.09637	28.1
355.11841	100.0
356.12177	11.0
403.07700	3.4
445.09009	13.3
489.07562	2.7
563.34161	2.8
651.29871	3.3
786.94409	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	811.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	10.8
60.02909	2.0
65.99844	2.6
70.07799	3.8
70.08187	4.8
71.01379	6.8
73.02929	2.6
82.02991	15.0
106.06598	3.1
108.04575	2.3
108.08198	8.7
112.04042	4.6
115.00356	4.6
120.04537	5.2
121.02915	2.8
122.06087	3.1
124.04004	2.0
126.76704	2.0
129.05598	2.5
130.52213	2.6
133.01381	10.1
134.06122	2.6
135.03168	3.4
135.04515	8.6
136.07693	3.9
136.60155	1.8
138.05597	4.8
138.09258	3.5
147.03194	3.8
148.04057	37.1
148.07782	2.4
149.04861	13.2
150.04454	4.2
150.05615	70.6
151.04028	2.6
154.05101	4.5
160.04024	7.5
161.04802	23.2
162.05582	6.5
163.02721	6.2
164.03532	14.1
173.03545	15.7
173.04791	4.0
173.06004	3.0
174.04352	47.4
174.05675	7.4
175.05074	29.1
175.06404	9.6
176.05795	3.3
179.03494	4.9
180.06630	6.7
182.08217	7.3
186.05569	4.4
187.06329	7.1
188.07167	3.2
189.06685	21.2
190.07457	59.0
191.08223	10.0
200.07159	7.1
201.07936	8.8
202.07228	5.9
202.08722	9.4
203.06003	5.2
203.08035	3.7
204.06503	3.1
207.41939	2.1
214.05109	2.7
214.11044	5.5
215.08206	7.2
216.06725	4.1
217.07529	2.7
226.08878	3.3
227.09390	2.1
228.06570	4.8
231.07697	17.0
232.08531	66.2
233.09271	27.0
237.65239	2.3
242.08258	4.6
242.10521	3.5
243.07623	10.8
243.11403	3.7
244.08200	29.4
245.09303	32.9
255.07558	3.0
262.09628	6.0
263.10333	2.7
267.07428	2.1
268.08499	5.2
269.09296	5.8
277.10846	11.4
285.08670	4.7
286.09598	17.1
287.10333	21.2
287.13980	15.8
293.04715	3.3
304.10617	5.0
312.13657	5.0
331.12994	9.5
337.11057	3.3
370.17737	12.5
381.17935	2.4
382.17517	5.5
400.18585	3.6
402.72824	2.6
406.17499	2.6
414.16644	13.6
424.18661	8.8
425.17456	4.4
426.16571	7.9
442.19702	13.8
449.15622	3.1
450.16583	8.4
467.16666	3.8
468.17746	60.4
469.17786	8.3
486.18866	51.2
487.18909	6.4
491.09329	3.5
510.71121	2.5
576.21808	7.9
588.21362	5.0
605.26361	7.4
630.23132	12.1
631.23004	11.0
648.24109	100.0
649.24854	49.1
650.25476	2.6
739.27692	3.1
793.28876	5.9
794.29132	3.0
811.30383	83.0
812.31030	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	810.5013
Annotation	Unknow
Peak:m/z	Relative Intensity
57.57868	0.2
61.98834	100.0
63.93438	0.2
70.83736	0.2
70.84073	0.4
96.00577	0.2
99.92606	0.3
101.72325	0.2
142.64835	0.2
169.74060	0.2
271.90826	0.2
281.59454	0.2
293.21381	0.2
303.99551	0.2
607.66150	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	5.9
59.01376	49.1
67.01881	3.4
68.99815	1.3
69.03451	4.7
69.58758	3.5
71.01380	20.6
72.99309	1.5
73.02935	6.8
81.03458	5.1
83.01392	3.2
83.05032	2.3
85.02947	100.0
86.03291	1.8
87.00872	25.5
89.02432	1.2
93.03444	7.5
95.01387	21.3
96.96013	0.9
97.02944	2.9
99.00875	2.5
99.04507	5.5
101.02441	2.8
108.02121	1.0
109.02944	8.4
111.00871	9.9
111.04510	1.3
112.37270	0.8
113.02445	20.3
115.00376	25.6
123.04523	1.1
125.02429	1.9
127.04019	31.0
128.04303	0.8
129.01945	7.3
133.01422	5.3
135.04530	2.9
137.02437	5.0
139.00365	18.3
139.04016	1.6
141.05583	2.2
143.03488	0.7
145.05043	8.3
149.02478	1.0
151.03996	0.9
152.91516	0.7
153.01947	2.1
155.03551	4.9
157.01408	25.5
163.04034	1.8
167.03496	0.8
169.05061	3.2
171.02983	3.0
179.03510	3.7
181.01445	2.4
199.02469	50.5
200.02832	2.0
209.04707	0.8
213.04083	1.2
217.03519	33.3
218.04074	1.1
241.03487	1.9
241.07312	0.9
253.03426	1.0
259.04578	1.0
259.08356	0.9
267.06802	1.5
285.06183	2.0
293.04385	0.8
301.05545	0.9
303.07294	1.1
345.08234	34.1
346.08493	2.7
387.09341	14.1
388.09442	1.5
405.10312	6.4
491.09979	1.8
517.07739	1.1
535.08746	0.9
605.14331	0.8
647.14362	1.1
707.16559	4.3
708.17200	1.0
793.19934	5.7
794.20630	1.6
811.22113	2.6
812.22675	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	810.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.3
59.50848	0.2
61.98830	100.0
62.39685	0.2
64.99796	0.3
68.99572	0.2
71.51765	0.4
78.95919	1.3
80.96532	0.4
83.62873	0.2
109.47813	0.2
111.75941	0.2
112.98598	0.3
116.92869	0.3
134.96091	0.3
137.64735	0.2
255.23337	0.4
371.98096	0.3
435.04977	0.3
811.42688	0.4
815.93866	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4974
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
71.38162	3.7
78.95911	4.2
98.32512	2.4
99.92626	3.7
195.91811	2.5
196.89507	2.4
277.21735	2.6
321.39963	2.5
809.40558	4.2
841.53467	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	809.4688
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.3
58.00584	1.1
59.01379	10.7
61.98831	6.4
64.34212	0.8
69.03458	1.7
71.01387	8.9
71.51751	1.0
73.02942	2.2
78.91911	0.9
78.95902	1.4
82.91107	0.9
83.01395	1.4
83.05043	2.0
85.02952	2.5
87.00857	1.3
89.02435	5.9
95.05061	1.3
96.96012	3.3
96.96955	0.8
97.02969	2.4
97.06567	1.5
99.00863	1.1
101.02425	8.1
109.06586	1.8
111.08149	17.9
113.02449	3.7
118.68404	0.9
119.03503	2.9
121.06587	1.3
123.08133	1.2
125.09727	4.8
127.07636	1.5
135.08122	1.1
139.11307	1.1
141.09229	1.8
143.07156	1.1
146.95503	0.9
151.07581	2.0
151.11237	1.1
153.09196	1.2
153.12813	1.6
155.10783	1.0
161.04543	3.4
165.09171	1.0
165.12848	3.0
169.08688	27.5
169.12338	5.2
171.10242	4.7
179.05595	2.0
181.12323	1.8
183.10252	6.9
193.12271	0.9
197.11819	58.9
198.12123	3.2
199.13350	4.4
209.11885	1.8
211.13408	9.8
219.17599	1.8
227.12805	1.7
235.08211	4.0
235.17026	2.2
247.20535	1.1
249.18517	1.7
253.09279	42.8
254.09641	1.7
263.16495	12.8
263.20074	3.9
264.16870	1.7
265.18216	1.8
273.18521	2.0
277.21686	2.2
281.17566	60.5
282.17902	4.4
291.19653	29.5
292.19995	2.3
309.20688	100.0
310.21085	8.5
331.60876	0.8
433.20804	1.0
545.29419	2.7
573.38074	3.6
676.82465	0.8
760.20831	0.8
770.54700	0.9
809.46167	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4694
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80949	0.7
57.03435	1.5
59.01379	11.4
61.98829	7.8
67.01894	1.0
69.03445	4.1
69.93543	1.5
69.93914	3.1
71.01389	8.9
71.05016	0.9
71.53593	0.9
73.02924	2.0
78.91877	2.2
78.95885	1.7
80.91682	1.0
81.03432	1.3
83.01392	1.0
83.04999	1.9
85.02949	2.8
87.00890	1.2
87.01579	0.8
89.02444	7.7
93.07082	0.8
94.98138	0.8
95.05014	1.2
96.96027	6.6
96.96955	0.9
97.02945	5.8
97.06601	3.7
98.19994	1.1
101.02459	6.5
109.06603	0.8
111.08157	13.4
113.02442	4.3
115.04006	1.0
119.03498	2.4
121.10195	1.1
122.98298	0.7
123.08148	1.4
125.02448	0.9
125.09741	3.4
127.07587	1.3
135.08191	1.0
137.09735	3.9
139.11243	0.8
141.09244	1.0
143.07126	2.2
144.19919	0.7
151.07635	1.8
151.11320	1.0
153.09192	1.3
153.12904	1.0
155.10820	1.0
161.04547	3.2
163.11279	2.3
165.09254	0.9
165.12848	5.4
167.10707	0.8
169.08716	17.1
169.12321	3.3
171.10252	5.6
179.05577	1.3
179.10852	0.9
181.08696	0.9
181.12349	1.7
183.10199	4.4
185.11826	0.8
189.12729	0.9
193.12202	1.1
197.11832	42.1
198.12183	1.6
199.09721	2.2
199.13440	2.1
209.11777	2.3
211.13397	8.1
219.17575	5.1
223.13379	1.6
227.12825	3.6
235.08167	3.8
235.17154	1.0
245.15364	1.0
247.20683	2.8
249.14966	1.4
249.18665	0.7
253.09297	40.6
254.09656	2.2
263.16513	14.1
263.20074	2.3
264.16846	1.3
265.18021	1.9
273.18622	1.5
277.21844	1.8
281.17587	50.7
282.18015	3.8
291.19659	39.7
292.19986	2.8
293.21320	0.9
298.16357	0.7
309.20715	100.0
310.21066	7.9
314.43289	0.8
375.52771	0.7
433.21124	0.9
442.20364	1.2
527.28473	1.1
545.29590	3.2
573.38104	2.3
809.46429	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	809.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.1
61.59602	0.3
61.98804	0.3
70.74852	0.7
71.01378	0.6
91.05534	3.9
93.03458	1.6
94.28775	0.3
96.28791	0.4
97.06599	1.4
106.04287	0.3
107.04295	0.7
107.05029	12.7
108.02174	6.4
108.05343	0.4
109.02990	0.6
109.06556	0.3
121.02948	1.3
122.03714	0.7
124.01662	2.4
125.02437	0.8
133.02972	0.4
134.03738	1.2
135.04527	100.0
136.04784	3.8
137.06061	0.4
150.03279	1.7
151.04027	5.2
161.02455	1.1
162.03195	1.4
163.03979	0.3
171.72603	0.2
179.03474	0.6
180.04266	1.4
181.05069	2.4
193.05092	0.6
205.08656	0.6
249.11459	0.4
259.09753	0.5
277.10797	14.4
278.11191	1.1
321.09775	10.7
322.10101	0.8
599.32739	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00600	1.4
58.38866	0.6
59.01378	100.0
60.01713	0.6
69.03456	2.5
69.51780	3.1
69.52202	1.4
71.01381	37.4
72.99325	1.6
73.02944	51.8
73.35066	0.6
74.03270	0.6
75.00879	1.1
81.03461	0.9
83.01389	12.7
85.02955	7.4
87.00867	1.7
89.02444	9.1
89.02945	0.8
92.67982	0.5
95.01403	3.0
97.02972	1.0
98.20628	1.1
99.00875	0.9
101.02440	49.2
102.02785	1.2
106.06626	1.8
108.02161	3.5
113.02449	21.6
119.03491	7.2
121.02975	1.5
123.04520	4.7
125.02457	3.2
131.03490	5.4
133.01425	1.3
136.01643	7.8
143.03503	9.1
147.03001	0.6
149.04541	11.6
150.05678	1.4
151.03998	12.1
151.05099	0.9
152.04362	0.7
155.03537	1.8
159.04564	0.7
160.05334	1.3
161.04547	22.3
175.07674	0.8
179.05624	2.5
187.04062	1.2
188.04832	1.9
203.05528	5.3
203.07199	4.4
208.74648	0.6
221.06642	11.7
221.08746	0.7
233.06158	0.8
251.07257	1.9
261.05698	2.6
262.06369	1.0
263.07230	3.0
264.04190	0.7
278.05994	0.7
278.09464	1.4
279.06625	6.7
281.08011	0.6
291.06522	1.2
293.08289	0.8
294.09058	5.4
296.11017	0.8
306.09006	1.2
309.08029	1.0
309.11282	17.8
310.11810	1.7
321.11438	1.1
324.09979	1.5
327.12415	1.9
339.12360	24.3
340.12921	2.3
356.09760	1.3
357.13358	12.0
357.17242	0.6
358.13678	1.5
381.13510	2.8
393.13608	0.6
483.16840	2.1
501.17459	2.9
502.17801	1.0
531.18652	8.3
532.19598	1.1
543.18671	29.5
544.18976	5.3
573.19763	1.2
585.19684	4.1
675.62262	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.4849
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42569	0.1
61.98828	100.0
62.98520	0.1
85.18220	0.1
107.64888	0.1
134.26385	0.1
143.27867	0.1
149.65837	0.1
161.82750	0.1
196.77385	0.1
228.97476	0.1
260.13300	0.1
309.87076	0.1
422.42572	0.1
602.32764	0.1
697.70105	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	808.4855
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01349	0.2
61.98831	100.0
78.95928	0.6
79.95741	0.2
80.96528	0.9
94.98111	0.5
101.01691	0.3
105.48730	0.2
112.97156	0.2
115.28346	0.2
118.31094	0.2
127.10455	0.2
167.26857	0.2
170.09807	0.2
196.14830	0.2
515.20782	0.3
809.45148	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.4536
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20097	1.7
57.03446	4.8
57.48308	1.9
59.01383	29.5
61.98829	62.0
69.03453	4.8
71.01384	22.1
71.05025	1.6
71.52777	2.6
72.99297	2.0
73.02945	5.3
75.00894	2.4
78.91891	2.1
78.95905	8.5
79.39774	1.7
81.03463	4.0
83.01389	5.2
83.05017	6.4
85.02953	7.4
87.00878	4.6
88.98779	4.4
89.02442	16.2
93.03457	2.5
95.01407	2.4
95.05024	8.3
96.96038	8.8
96.96956	3.1
97.02954	10.7
97.06591	16.1
98.56780	1.7
101.02449	17.3
109.06563	3.5
111.08160	20.9
113.02434	10.0
119.03477	2.8
121.06582	3.4
122.04154	1.7
123.04536	3.0
123.08170	6.4
125.06094	2.3
125.09756	9.0
127.07663	3.3
127.85247	1.8
133.01411	2.6
133.06512	1.8
135.08144	3.4
137.09714	5.3
149.09674	5.0
151.07628	3.4
153.09140	4.4
161.04529	8.3
161.09694	3.3
163.07594	5.4
163.11267	13.9
165.12848	5.5
169.08725	27.7
169.12338	7.6
171.10213	4.8
179.05571	2.6
181.08655	6.0
181.12354	7.1
183.10298	8.6
183.13882	2.8
185.11790	7.1
189.12988	2.2
191.10997	1.9
191.14423	8.2
197.11835	80.0
198.12166	3.8
199.13362	5.4
207.10378	3.9
209.08315	3.0
209.11824	23.3
211.13385	16.0
217.15981	26.8
225.11470	2.3
227.12946	4.5
235.08176	8.7
235.17001	5.9
237.11340	4.9
243.13899	3.5
245.19075	12.9
253.09280	73.4
261.14963	37.9
262.15366	2.6
263.16519	15.3
263.20132	16.1
265.18042	4.2
271.16949	2.9
273.49796	2.0
277.21548	2.9
279.16013	45.5
280.16592	2.2
281.14420	2.0
281.17563	41.5
282.17914	5.4
286.15598	1.9
289.18076	73.0
290.18457	5.6
291.19653	35.3
291.22772	1.4
292.20078	3.2
307.19153	75.9
308.19482	8.0
309.20691	100.0
310.20917	9.2
433.20703	1.8
445.20551	4.9
543.28040	7.4
545.29681	3.4
709.38098	2.5
773.33997	2.1
807.44897	10.7
808.45355	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	807.4526
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	5.9
57.70193	1.5
59.01377	29.1
61.98531	2.7
61.98830	29.3
69.03458	4.5
69.09540	1.4
69.34822	1.6
70.99883	3.2
71.01379	21.2
73.02940	4.6
78.95912	3.0
79.95742	2.1
80.02662	1.6
80.42121	1.6
81.03445	3.1
83.01344	4.7
83.05012	5.9
85.02954	6.5
87.00858	2.4
89.02438	13.3
94.98101	4.3
95.01375	2.5
95.05002	8.0
96.96011	62.8
97.02967	12.3
97.06588	15.1
97.30754	1.4
99.00879	2.0
101.02436	13.8
107.04985	2.2
109.02962	2.8
109.06577	5.1
111.08162	19.5
113.02446	9.1
119.03468	4.3
119.08685	3.6
121.06535	2.2
121.10194	2.0
123.04494	3.5
123.08165	4.0
125.02401	1.7
125.09716	10.8
127.07594	1.6
133.06569	2.7
135.04533	2.8
135.08205	4.9
137.06067	2.1
137.09708	9.8
141.09195	3.2
143.03452	2.7
147.08142	2.1
149.09653	2.4
151.07652	4.4
153.09273	4.0
153.12801	2.0
155.10803	1.9
160.08907	2.0
161.04570	7.9
161.09689	2.4
163.07639	5.6
163.11305	18.9
165.09166	1.8
165.12808	4.6
169.08693	29.4
169.12297	7.2
171.10220	4.6
177.01944	2.5
179.05568	3.5
179.10696	2.5
181.08681	7.4
181.12279	4.2
183.10260	5.2
183.13908	2.3
185.11774	7.5
191.14394	6.7
193.12274	2.1
197.11815	74.0
198.12186	3.2
199.09721	2.3
199.13280	4.2
199.69862	1.5
207.10234	4.3
209.08211	2.8
209.11797	19.6
211.13440	8.6
217.15941	26.1
219.17535	4.7
225.11272	2.7
235.08205	9.4
235.16998	7.0
237.11227	9.5
243.13847	3.0
245.19077	18.2
245.83698	1.5
249.14943	2.5
249.18631	1.8
253.09271	69.3
254.09535	2.8
254.36635	1.8
261.14920	31.1
262.15234	3.2
263.16519	15.9
263.19977	9.0
265.18030	1.9
271.16931	2.1
273.18610	2.7
279.15997	40.5
280.16336	3.2
281.17563	41.7
281.20880	3.6
282.17911	2.4
289.18085	87.5
290.18497	8.0
291.19662	33.6
292.19998	3.0
307.19141	77.1
308.19452	5.6
309.20688	100.0
310.20966	8.0
356.35141	1.5
445.20782	2.7
543.28674	2.6
545.29688	2.9
634.46100	1.8
709.38110	2.5
807.44604	19.2
808.45416	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	806.5009
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.6
61.98832	19.7
63.99257	0.3
71.01379	0.4
71.51053	0.2
71.51411	0.2
76.31436	0.2
77.38976	0.2
78.95893	0.4
79.56618	0.2
79.95777	0.6
85.02955	0.2
88.98816	0.4
89.02410	0.4
101.02400	0.2
119.05009	0.4
137.02446	0.3
139.34846	0.2
161.02493	0.3
166.76761	0.2
170.00490	1.0
171.10257	1.3
183.01205	27.3
184.01627	1.0
197.02747	1.0
197.11826	1.1
198.03568	0.4
201.99382	0.2
213.06999	0.2
216.00940	0.4
217.16115	0.2
225.05801	0.3
230.02507	0.4
235.17058	0.2
239.07481	0.4
247.20534	0.3
253.09160	0.6
253.21677	0.2
255.23248	0.8
258.05734	0.2
261.14981	0.4
279.15906	0.2
289.18042	0.2
291.19589	0.4
309.20624	1.2
311.16858	100.0
312.17184	8.2
397.13495	0.4
441.33569	0.3
806.42834	0.3
807.44714	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5108
Annotation	Unknow
Peak:m/z	Relative Intensity
58.65505	0.7
59.01379	27.5
61.68193	0.6
61.98830	15.2
67.28323	0.6
70.83044	1.6
71.01377	3.6
73.10305	0.6
78.95895	1.3
79.95736	0.9
80.96526	1.3
89.02448	1.8
101.02472	1.2
113.02441	0.9
122.97544	2.5
161.04587	1.0
161.23148	0.8
165.32491	0.8
186.57014	0.7
205.19685	0.7
206.94252	0.7
213.02438	0.8
232.77895	0.8
235.08173	2.1
249.18579	64.7
250.19002	3.7
253.09251	7.4
255.23341	1.0
277.21710	100.0
278.22079	8.5
348.97086	0.7
417.77060	0.8
554.57959	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.302
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56870	0.4
59.01374	1.0
69.65482	0.4
70.64835	0.5
70.65166	1.1
71.01398	2.6
74.35332	0.4
77.24788	0.4
91.05540	4.0
93.03465	1.5
96.96005	0.5
97.06623	0.9
98.20531	0.6
101.02448	0.4
107.05031	12.2
107.05736	0.9
108.02155	1.1
121.02975	1.5
122.03764	0.8
124.01651	3.4
125.02465	1.2
134.03761	1.6
135.04527	100.0
136.04834	3.3
137.02510	0.4
150.03214	2.4
151.04002	6.5
162.03218	1.0
165.53839	0.5
179.03511	2.1
180.04254	1.6
215.10912	0.5
223.78098	0.5
224.03268	0.9
277.10794	17.3
278.11142	1.2
321.09775	9.3
322.10254	0.9
545.42236	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.8
61.98830	100.0
62.98534	0.2
73.26110	0.2
78.95922	0.6
79.95735	0.3
80.96497	1.0
94.98102	0.2
97.02938	0.2
107.36064	0.1
116.92922	0.3
117.74281	0.2
152.99619	0.2
195.54424	0.2
197.11827	0.2
221.27824	0.2
225.00764	0.3
239.13126	0.1
253.09299	0.2
255.23363	0.6
261.14941	0.2
277.21765	1.8
291.19876	0.3
309.20593	0.8
320.22812	0.2
384.13284	0.2
805.40338	1.3
806.42438	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.7
59.01380	100.0
61.98540	1.6
61.98830	24.9
69.03455	2.8
69.18426	8.0
70.29929	0.9
71.01382	33.2
72.99303	1.7
73.02947	10.0
75.00874	1.1
78.05286	1.0
81.03452	1.9
83.01402	9.9
85.02950	19.2
86.00117	1.5
87.00855	3.7
88.98753	1.1
89.02437	6.9
95.01401	5.5
97.02957	5.2
99.00885	5.1
99.04480	0.9
101.02438	18.8
111.00879	3.9
112.01644	1.6
113.02445	17.8
115.04008	1.5
119.03473	2.0
124.01657	2.3
125.02451	16.2
135.04543	1.5
141.01936	0.9
143.03493	8.3
146.24008	0.9
159.02953	2.0
161.04550	3.1
235.82065	0.9
249.35361	0.9
451.30359	4.5
469.31393	4.3
477.56665	1.1
521.30170	1.0
535.33289	1.2
559.32483	1.3
577.34253	2.1
580.46735	1.2
595.34851	35.0
596.35455	6.2
613.35895	75.1
614.36176	14.1
631.37000	16.0
632.37219	4.0
655.36786	15.2
656.37286	2.8
673.37860	21.1
674.37860	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	802.4233
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01349	0.2
61.98829	100.0
62.34358	0.1
62.98535	0.2
71.01391	0.1
71.52042	0.2
78.95906	0.8
79.75889	0.1
80.96533	0.2
94.16445	0.1
94.75402	0.1
94.98080	0.1
99.55898	0.1
133.02982	0.2
135.04474	0.2
152.99603	0.3
161.02423	0.6
164.45981	0.1
192.72040	0.1
206.53508	0.2
254.68460	0.1
264.07849	0.1
277.21826	0.2
282.25394	0.1
299.72241	0.1
311.16934	0.4
331.76416	0.1
802.44373	0.2
803.49976	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4232
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03482	0.2
59.01375	0.3
59.15047	0.2
59.64309	0.2
61.98830	100.0
70.30125	0.8
71.01408	0.2
78.95910	0.7
86.53490	0.2
90.45049	0.2
92.24799	0.2
96.96030	0.4
101.02460	0.2
120.64084	0.2
135.04526	0.2
147.08040	0.2
148.54810	0.2
152.99634	0.4
155.77159	0.2
160.74525	0.2
161.02470	0.5
171.20485	0.2
199.17059	0.3
277.21707	0.2
311.17117	0.4
350.01398	0.2
753.39465	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4845
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	3.5
58.00590	3.7
59.01381	84.9
60.01718	0.8
61.98823	2.1
67.36870	0.7
69.35862	1.3
69.36253	5.9
71.01382	100.0
72.01704	1.2
72.99302	6.8
73.02956	12.1
83.01382	8.9
83.01842	1.2
85.02950	27.5
86.03326	0.7
87.00880	6.6
89.02445	100.0
90.02791	1.2
95.01386	7.2
96.96011	2.9
97.02981	0.9
99.00895	4.8
101.02445	66.2
102.02817	1.2
103.18456	0.8
106.63238	0.9
110.04195	0.9
113.02454	41.5
114.02769	1.2
119.03508	55.5
125.02473	1.7
131.03514	7.8
133.01398	1.0
135.04555	1.1
143.03503	14.1
149.04559	5.8
159.02969	2.4
161.04552	24.9
161.05894	1.6
164.74217	0.8
170.21671	0.9
179.05614	35.8
180.05879	1.5
220.84006	0.8
314.38446	0.9
332.74677	0.8
399.23895	13.1
400.24268	2.4
440.23935	0.8
506.79636	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90810	1.2
56.54819	1.0
59.01110	1.4
59.01380	18.6
71.01370	9.2
71.51128	0.9
71.51518	1.5
73.02941	4.2
80.47376	1.1
83.01392	3.7
84.92409	1.0
85.02928	1.3
89.02448	1.7
89.99957	1.2
93.03461	1.2
101.02431	6.2
113.02428	4.7
115.00338	2.5
119.05039	5.2
121.02955	5.6
122.03707	3.5
123.04477	3.6
132.02176	1.3
133.01439	6.5
133.02902	2.3
134.03712	8.6
135.04536	5.8
136.01682	1.9
136.05293	14.3
137.06035	2.2
149.02446	16.6
149.06107	2.0
150.03217	49.9
151.04022	12.3
161.02420	1.2
161.04527	1.3
163.03975	7.2
164.04813	5.3
165.05556	33.6
166.05934	1.8
178.02652	1.9
180.04202	1.9
181.05086	5.3
181.47159	1.2
193.05055	9.9
194.05415	1.3
195.06627	32.6
196.06905	2.2
219.06581	1.1
269.08096	1.4
283.09628	4.3
311.09259	8.7
323.12970	1.4
325.10614	1.5
343.11838	64.1
344.12125	5.7
352.09518	1.2
367.11966	6.4
373.13107	1.2
385.12573	1.4
389.12170	1.2
391.13956	100.0
392.14386	11.9
415.13812	5.0
433.14935	4.6
435.52448	1.1
528.71313	1.2
535.18164	2.4
553.19202	41.9
553.27753	2.0
554.19543	5.4
595.20142	1.5
697.35907	1.5
704.99408	1.1
757.37848	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03434	1.0
57.03446	1.3
58.00584	1.3
59.01378	100.0
61.98816	3.0
65.50179	0.9
69.03450	2.1
69.63845	5.5
71.01380	42.1
72.99303	3.3
73.02560	1.6
73.02943	18.9
83.01386	6.3
85.02953	13.0
87.00871	2.5
89.02441	25.9
94.12133	1.1
95.01386	4.1
96.95982	3.0
97.02933	1.3
99.00862	2.1
101.02442	27.8
113.02450	23.8
119.03503	8.5
125.02416	2.0
131.03476	2.3
133.01421	2.5
134.03714	3.2
135.04501	2.7
137.02469	1.2
143.03467	4.7
149.04536	2.1
149.06073	1.6
161.04485	7.5
178.02673	2.2
179.03490	2.1
179.05591	4.4
183.05861	1.0
193.05023	4.8
231.10234	1.1
293.14084	2.4
415.32016	2.9
551.28467	1.5
559.36249	1.4
577.37268	1.4
591.31836	9.4
592.31866	1.3
609.32745	21.1
610.33026	4.4
627.34052	7.9
628.33936	2.8
651.33887	5.5
669.35016	7.4
670.35028	2.0
799.44855	30.4
800.45306	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	799.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00599	1.4
58.28849	1.1
59.01377	100.0
61.98826	9.8
66.79419	1.0
70.99091	1.3
71.01379	38.7
71.52092	1.5
72.99317	2.1
73.02944	8.6
81.03449	1.3
83.01385	5.0
85.02950	15.3
87.00877	3.5
88.98782	1.6
89.02450	20.9
91.48605	1.4
95.01380	4.0
96.96007	2.0
97.02931	1.7
99.00877	3.0
101.02448	21.0
103.07127	1.2
113.01713	2.3
113.02438	26.9
114.02769	1.6
119.03487	6.7
125.02438	4.3
133.01405	2.6
134.03766	2.3
135.04489	2.6
143.03493	5.1
161.04518	8.0
179.05623	3.8
193.04997	3.8
208.38402	1.5
221.06615	1.4
258.25241	1.2
316.71915	1.2
350.72867	1.2
447.27823	1.3
510.16394	1.8
513.85779	1.2
591.31842	11.1
600.54987	1.2
609.32770	33.0
610.32880	5.3
627.34125	9.4
628.34045	2.1
651.34143	6.9
652.33923	1.6
669.34991	8.0
670.35565	2.5
703.98108	1.2
711.34412	1.5
762.95056	1.5
798.46796	2.0
799.45862	18.6
800.45807	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	799.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	2.8
69.24770	7.7
71.01390	2.3
73.02954	1.5
78.66711	0.9
83.01379	0.8
85.02943	1.1
93.03463	2.2
98.20715	1.1
101.02451	2.2
111.00867	1.1
115.00381	1.3
119.04976	1.9
121.02944	9.4
122.03725	3.4
132.02133	2.5
133.01416	3.3
133.02942	4.8
134.03740	49.8
135.04491	1.9
136.01642	1.6
137.02455	6.8
139.03946	1.5
147.04517	5.5
148.05334	2.4
149.02434	15.2
149.04941	1.3
149.06071	14.4
150.03227	41.0
151.03717	2.1
160.01662	9.9
161.02040	0.8
163.04036	3.1
164.04861	2.1
165.05565	48.3
166.05885	2.4
175.03975	9.8
176.04773	6.8
177.01897	2.4
178.02715	29.8
179.03215	1.8
180.04160	2.5
191.07172	7.0
193.05049	93.0
194.05367	3.9
195.06616	20.8
220.03735	1.3
233.06067	1.2
235.06061	17.7
239.07115	3.3
250.06299	2.6
267.06549	1.5
282.08908	8.0
291.59451	0.8
297.11267	1.0
341.10278	26.4
342.10638	3.0
371.11288	1.1
383.11383	1.9
389.12408	100.0
390.12714	8.9
397.11444	2.1
431.13391	4.4
551.17651	23.8
552.17859	2.3
565.79681	0.9
593.18683	3.9
740.92920	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.9
70.23376	0.6
71.01383	2.3
71.51720	1.2
73.02932	1.3
85.02952	0.6
89.02440	1.0
90.77847	0.7
93.03458	2.0
100.35211	0.6
101.02454	1.6
105.03429	0.7
109.87260	0.7
111.00876	1.1
115.00391	1.8
119.05035	2.3
121.02959	12.4
122.03728	4.3
132.02180	2.6
133.01433	2.6
133.02975	4.4
134.03748	53.2
135.04460	3.7
136.01680	1.5
137.02457	6.9
139.04002	2.2
147.04520	5.4
148.05319	2.2
149.02443	17.3
149.06079	17.4
150.03230	42.9
151.03612	1.6
160.01677	10.5
163.03975	2.0
163.07645	0.8
164.04811	3.6
165.05573	53.3
166.05923	2.4
168.96014	0.6
175.03995	10.7
176.04774	9.3
176.19928	0.6
177.01892	1.9
178.02716	30.8
179.03162	1.4
180.04285	4.0
191.07118	8.5
192.07648	0.8
193.05057	99.9
194.05405	4.9
195.06628	25.1
196.07065	0.8
210.06659	0.8
217.05025	0.8
220.03734	1.9
221.06062	0.7
233.06137	1.6
234.06851	1.2
235.06093	19.1
236.06606	0.8
239.07085	1.5
249.05644	0.8
250.06323	2.9
253.08597	1.2
254.09444	1.3
265.08752	0.7
267.06570	2.6
282.08948	8.4
283.09531	1.1
297.11398	1.9
305.14697	0.7
326.08289	0.8
341.10297	31.6
342.10623	2.8
358.09390	0.7
371.11377	1.3
383.11240	3.2
389.12424	100.0
390.12778	9.6
397.11179	1.5
431.13290	3.7
533.16571	0.9
551.17688	25.3
552.18188	2.9
593.18793	3.8
622.69623	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.4691
Annotation	Thalicoside A1
Peak:m/z	Relative Intensity
57.03436	1.8
59.01380	16.2
61.98835	4.7
69.92817	0.6
71.01379	21.9
71.51939	0.7
72.99273	1.0
73.02946	5.2
83.01378	4.3
83.69440	0.6
85.02953	8.9
85.43253	0.6
87.00862	2.0
88.98790	0.8
89.02435	5.9
95.01379	2.4
96.96005	0.9
99.00886	2.5
101.02438	13.1
113.02445	7.7
115.00374	0.6
117.92950	0.6
119.03477	2.0
125.02446	0.8
134.14496	0.6
135.04562	0.7
143.03488	0.8
161.04552	1.1
171.10161	0.7
244.67871	0.7
427.35645	0.8
473.36273	3.0
617.40521	1.2
631.37799	0.6
635.41705	10.1
636.41699	1.8
743.87665	0.8
797.46869	100.0
798.47272	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	797.4693
Annotation	Thalicoside A1
Peak:m/z	Relative Intensity
57.03442	0.7
58.00584	1.2
59.01379	31.3
61.98831	0.3
65.67008	0.2
71.01381	18.7
72.01709	0.3
72.99303	1.6
73.02947	2.8
73.19539	0.3
82.76087	0.3
83.01386	2.2
84.94764	0.3
85.02952	5.3
85.60641	0.3
86.00088	0.3
87.00870	0.9
89.02442	15.0
95.01381	1.5
95.54893	0.2
97.02993	0.4
99.00862	0.6
101.02442	14.2
113.02457	6.0
119.03500	5.2
123.90771	0.3
131.03481	0.3
161.04524	0.6
231.39595	0.3
368.01349	0.3
455.35263	1.0
507.81332	0.3
589.41241	0.9
601.39252	0.3
617.40607	5.8
618.40942	1.3
635.41492	3.0
636.42133	0.8
797.46906	100.0
798.47235	26.4
798.62750	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.4617
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	3.5
63.96242	2.0
68.99558	1.7
71.01384	7.6
74.46078	1.3
78.95902	3.5
78.98582	6.8
79.95743	16.6
80.96518	86.1
85.02967	3.2
87.00889	3.8
94.98087	17.5
96.95999	2.1
97.02981	1.8
101.02468	2.6
105.11870	1.2
106.98086	4.2
112.98558	2.0
122.97588	3.3
124.42332	1.3
125.02399	2.7
134.97580	7.7
148.99126	7.6
152.98598	5.3
164.98619	15.8
206.99629	2.5
209.11751	1.8
219.28464	1.2
221.88162	1.5
225.00740	21.5
255.23267	3.2
265.18082	1.7
277.21616	3.6
537.27411	2.2
541.19196	3.1
723.87549	1.5
797.43597	100.0
798.43860	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.4331
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.4
57.03680	0.4
58.00580	1.1
59.01380	34.4
60.13400	0.5
69.03460	0.9
69.75410	1.7
69.75818	0.8
71.01381	33.6
72.99297	1.7
73.02943	9.5
75.00867	0.9
78.09621	0.4
79.30042	0.5
83.01378	7.6
85.02951	19.2
86.00101	0.6
87.00886	3.1
88.38683	0.5
88.88211	0.6
89.02443	6.1
95.01389	2.9
97.02937	1.6
99.00886	4.2
101.01801	1.1
101.02448	19.3
111.00867	0.6
111.03468	0.5
112.01643	1.4
113.01720	0.9
113.02454	12.3
119.03485	1.7
125.02419	2.3
131.03464	1.1
133.02890	1.0
135.04549	3.5
137.05083	0.5
143.03461	1.4
149.71069	0.6
159.02940	0.9
161.04555	2.1
177.01958	0.6
267.76852	0.6
277.10614	0.8
357.51715	0.5
383.29449	1.0
385.31213	4.9
429.29999	0.7
431.31656	22.7
432.31921	3.3
485.32965	0.8
575.35950	10.7
576.35986	1.5
593.36884	16.6
594.37286	1.8
608.92120	0.6
617.37183	2.8
619.27753	0.9
627.52460	0.5
635.37982	45.9
636.38373	8.8
737.41223	4.2
738.41406	0.7
755.42200	19.8
756.42175	5.1
797.43268	100.0
798.43591	23.9
798.58698	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4901
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.2
59.01377	7.2
61.98828	7.3
69.03458	0.9
70.84007	0.7
71.01010	0.4
71.01382	6.1
72.99297	0.5
73.02948	2.6
78.95897	1.6
80.96503	0.9
83.01381	1.4
83.05035	0.5
85.02952	4.0
86.00079	0.4
87.00872	2.7
89.02435	3.4
95.01365	0.8
95.05006	0.9
97.02935	0.7
97.06579	2.8
99.00869	0.8
99.08126	0.8
101.02438	6.4
102.02769	0.3
103.03973	0.5
109.06609	0.4
111.04508	0.3
113.02448	3.2
115.04023	0.4
119.03497	1.3
125.02448	0.6
125.06051	1.0
127.07687	0.4
127.11284	0.3
133.05054	1.0
135.04565	0.5
135.08127	0.4
137.06070	0.4
137.09723	1.0
139.11327	0.6
143.03458	0.5
143.07147	6.7
145.05083	1.6
149.09686	0.5
152.99577	0.5
155.10805	1.9
157.05045	0.6
157.08737	0.5
161.04570	3.3
171.10306	0.6
173.44446	0.3
183.10262	3.7
193.08807	0.4
195.27217	0.3
201.11310	2.2
209.11786	0.3
219.17427	0.4
235.08228	18.5
236.08513	0.4
249.18654	0.5
253.09279	19.3
254.09575	0.7
255.23346	0.3
259.20776	0.3
262.15976	0.3
263.16617	1.6
275.20135	0.5
277.21707	100.0
278.22070	8.2
278.24496	0.2
281.17581	4.2
299.18628	28.8
300.19052	2.0
303.23303	0.3
327.21591	0.5
513.30768	0.8
517.26318	0.8
535.27295	0.6
559.40564	0.4
777.34418	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4895
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.1
58.00587	0.5
59.01074	0.5
59.01374	10.5
61.98830	4.9
69.03460	2.1
70.75468	1.0
71.01381	7.8
72.70977	0.4
72.99297	0.9
73.02936	1.4
78.95886	1.5
81.03444	0.6
82.95412	0.6
83.01377	1.3
83.05012	1.4
84.02179	0.7
85.02951	8.9
87.00867	1.1
89.02436	5.6
91.04037	0.4
95.04993	0.6
97.02943	2.3
97.06570	3.0
98.75751	0.4
99.00890	0.6
101.02441	6.9
109.06583	0.5
113.02457	4.5
119.03513	1.9
119.08593	0.7
123.08193	0.5
123.46960	0.4
125.02435	0.9
125.09686	0.9
127.11291	1.3
137.09732	2.1
143.03485	1.0
155.10789	1.4
161.04587	2.5
165.12839	1.1
167.10777	0.6
167.14383	0.7
171.10268	23.6
172.10628	0.9
177.12833	0.9
179.05618	1.7
183.13884	5.1
185.11772	1.0
193.12381	1.3
195.13770	0.6
197.11923	0.7
201.11247	1.1
203.10765	0.5
205.19650	0.6
209.11780	1.2
211.13393	14.7
212.13690	0.9
221.11902	2.3
223.13368	2.4
223.17024	0.4
225.11472	0.4
227.12846	0.6
229.14412	10.7
230.14761	0.9
231.17540	1.0
235.08215	7.0
239.12874	1.3
247.17030	0.5
247.20523	0.5
249.18575	63.8
250.18919	5.1
251.16396	0.4
253.09276	28.4
254.09604	1.5
255.23207	0.6
273.18466	0.6
277.21744	4.8
278.21997	0.8
291.19672	7.6
292.20044	0.4
293.21292	1.9
309.20694	23.2
310.21051	1.8
327.21741	100.0
328.22076	8.2
401.25690	0.4
459.21979	0.4
484.70419	0.4
545.29730	2.9
546.30005	0.4
559.39606	3.3
563.30676	6.3
795.43378	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.3808
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08344	1.6
59.01379	18.3
61.98837	2.4
62.05853	1.9
69.86724	9.8
71.01370	16.6
73.02927	2.9
73.68871	1.9
82.02996	4.5
85.02968	1.9
89.02419	2.3
89.03999	3.7
91.14244	1.7
94.92406	2.1
97.06583	3.3
101.02438	4.3
105.03464	36.0
108.02193	4.9
109.02952	26.8
111.04565	3.2
112.74707	2.0
113.02481	3.8
115.00369	4.3
115.12382	2.2
117.03460	3.4
120.04500	2.2
121.02920	10.8
122.03788	1.9
122.06116	3.3
133.01427	2.1
133.02945	23.5
134.03740	26.3
135.04501	8.0
136.01674	3.3
137.02434	43.2
137.03401	3.8
138.49988	1.9
148.01660	5.2
148.04034	15.5
149.02425	19.2
149.04887	5.2
149.06111	4.6
150.03242	3.0
150.05603	30.2
161.02470	5.8
161.04774	7.4
161.74783	2.0
162.03255	11.6
162.05518	4.0
163.03978	15.4
164.03543	2.5
164.07159	3.0
166.08734	2.5
173.03531	4.0
174.04347	18.7
174.05690	3.9
175.05063	4.2
177.01932	70.1
178.02710	13.4
180.56322	2.0
189.06691	4.1
190.07477	19.6
191.08365	2.3
193.05014	28.8
194.05843	11.7
195.06561	4.2
200.07112	2.8
209.04547	35.1
210.05284	25.5
214.84251	2.0
216.06667	2.8
218.08197	2.7
227.08295	4.0
228.06548	2.9
229.08681	2.8
231.07721	5.0
232.08450	17.3
233.09132	8.2
241.09818	3.1
242.08371	2.4
243.07552	2.8
244.08295	9.4
245.09335	11.2
247.09549	2.1
267.07779	2.8
269.09280	9.8
270.10046	3.1
271.14438	5.6
275.09247	88.6
276.09479	5.5
283.10825	9.0
286.09628	5.6
287.10223	5.9
287.85809	1.9
307.11847	100.0
308.12164	6.6
315.13416	6.5
354.18033	2.8
355.43283	2.1
398.17227	3.7
408.19171	3.5
409.17883	3.5
410.17380	2.6
426.20221	4.7
434.17230	2.4
452.18161	16.7
453.19055	2.3
470.19312	17.0
471.19742	2.5
527.26569	5.5
560.22498	5.1
571.25116	6.8
572.22388	2.7
604.46198	2.4
614.23315	4.7
615.23669	5.5
632.24512	34.3
633.25714	13.9
635.30664	23.9
636.30457	7.1
733.30542	5.5
795.29944	14.0
795.43176	3.2
796.30603	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	795.3093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	5.9
65.99847	1.3
74.70895	1.3
82.02988	11.7
87.84109	1.0
96.04545	1.9
104.05060	1.1
106.02926	1.2
108.04538	2.7
108.08175	1.3
109.94672	1.0
110.06102	2.3
112.04026	4.0
120.04546	6.3
120.08106	1.1
122.02489	1.4
122.06118	1.6
122.09730	4.1
124.29006	1.1
129.05589	1.4
129.67436	1.0
131.81062	1.1
133.02921	1.6
135.03212	2.0
135.04541	5.3
136.07660	3.2
138.05621	1.3
139.02731	1.5
146.02452	1.1
146.05997	1.2
147.03311	2.7
148.04050	35.8
149.04842	15.8
150.05605	61.7
151.05954	2.6
152.07152	1.2
154.05064	5.6
159.05612	1.0
160.02870	1.4
160.04037	7.6
161.04826	19.6
161.07251	1.2
162.05632	5.4
163.02705	2.9
164.03551	12.0
164.07196	6.2
166.08707	5.2
173.03525	11.5
173.04846	4.1
174.04333	47.3
174.05606	4.5
175.05060	22.3
175.06396	10.1
176.03529	1.1
176.05768	2.2
186.05565	4.0
187.06364	6.4
188.07132	3.8
189.06671	17.3
190.04985	2.3
190.07471	57.3
191.05876	3.7
191.08134	10.0
198.09175	1.1
200.07231	6.4
201.07886	7.6
202.03662	1.2
202.07413	7.4
202.08766	6.9
203.05861	4.1
203.08142	5.0
204.06590	2.5
213.06601	2.7
213.10263	2.4
214.05215	1.4
214.07384	1.8
214.11098	4.7
215.05936	2.3
215.08215	4.2
216.06609	4.1
217.07388	5.0
217.09743	3.3
218.10509	1.6
219.11374	1.3
220.09778	2.6
224.07181	1.4
224.42747	1.2
226.08862	1.4
227.09512	2.3
228.06693	5.2
230.10840	1.3
231.07721	9.9
232.08513	65.9
233.09247	23.9
234.09633	1.1
241.09749	1.9
242.08295	2.2
242.10577	3.8
243.07573	12.3
243.11337	2.7
244.08215	28.7
245.06961	2.8
245.09258	27.7
246.09715	2.5
253.13445	2.7
262.09512	4.8
263.10321	2.0
267.07727	2.9
268.08432	4.6
269.09244	4.2
270.07648	1.3
271.14539	12.8
279.11264	1.6
285.08682	2.8
286.09595	19.1
287.07861	1.6
287.10403	15.8
289.09641	2.2
296.13928	4.8
304.10519	2.4
305.11319	1.3
310.73248	1.3
312.17191	1.3
315.13519	9.3
325.15732	1.7
337.10620	2.1
340.13019	2.0
354.18198	10.2
365.18417	1.7
366.18274	3.5
380.16232	1.5
398.17151	9.3
408.19403	8.2
409.17950	2.3
410.17017	5.8
426.20392	12.4
427.20639	1.6
434.17175	5.4
435.16516	1.3
439.83099	1.2
449.15720	2.0
452.18259	55.1
453.18274	9.0
467.17169	5.2
468.17029	1.2
470.19312	50.4
471.19772	7.9
477.18790	2.8
502.17850	2.0
531.20038	1.5
560.22363	14.2
561.23102	2.1
572.22559	7.9
573.21436	1.5
589.26636	4.8
590.23840	1.7
614.23297	11.2
615.23553	11.0
632.24573	100.0
633.25208	40.0
634.25977	3.5
640.24957	1.3
723.29181	4.4
777.30151	5.7
795.30939	51.5
796.31433	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	795.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01352	3.6
70.83688	3.5
77.76485	1.6
82.02988	12.3
84.94170	1.8
101.19413	1.6
105.95169	1.7
108.04526	2.0
110.92600	1.6
112.04028	3.2
120.04548	3.2
122.09772	4.0
136.07669	2.3
138.05530	2.6
147.03255	3.1
148.04044	30.2
149.04805	15.3
150.05594	58.3
151.05980	1.8
154.05075	4.4
160.04063	5.7
161.04840	20.2
162.05592	4.2
163.02751	3.2
164.03516	9.2
164.07124	5.0
166.08766	3.8
173.03513	12.3
173.04854	3.9
174.04312	44.0
174.05588	3.9
175.05072	16.6
175.06410	8.2
176.05766	2.5
186.05582	4.9
187.06409	5.2
188.07169	4.7
189.06667	18.7
190.05641	3.1
190.07460	50.1
191.05862	3.2
191.08099	10.1
200.07089	4.9
201.07947	5.5
202.07442	7.3
202.08778	7.1
203.05957	4.5
203.08080	2.6
213.06641	3.0
213.10374	3.4
214.11073	5.2
215.06030	2.0
215.08197	3.1
216.06848	3.4
217.07390	4.7
217.09613	2.8
220.09836	2.2
226.08751	2.6
228.06577	5.4
231.07669	11.8
232.08511	66.9
233.09277	23.3
241.09834	2.6
242.10567	3.9
243.07521	8.4
243.11337	5.0
244.08202	31.2
245.06891	2.9
245.09271	23.8
246.09724	2.6
262.09418	2.3
263.10376	2.2
267.07648	2.7
268.08551	4.9
269.09280	2.0
271.08450	1.9
271.14554	13.4
286.09695	17.8
287.10330	13.5
289.09760	2.0
296.14044	4.5
304.10580	2.7
315.13501	8.9
354.18054	11.3
366.18106	3.6
390.18439	3.4
398.17075	12.1
408.19333	7.5
409.17786	2.9
410.17236	4.5
426.20187	11.4
428.18369	2.1
434.17181	4.8
449.15985	2.8
452.12173	3.0
452.18250	51.0
453.18274	7.9
460.38260	1.9
467.16629	3.1
468.17892	1.8
470.19278	52.5
471.19583	7.6
477.18533	2.3
502.18118	3.0
560.22736	9.6
561.23108	3.8
572.22717	7.5
589.26605	3.3
590.25330	2.2
614.23669	13.5
615.22974	12.9
632.24579	100.0
633.25262	42.8
634.26263	3.9
643.01312	1.8
723.28827	3.7
724.28986	2.9
777.29791	4.9
795.30975	62.5
796.31207	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	795.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	4.1
59.26406	1.1
65.99833	1.2
69.30058	7.8
72.35310	1.1
81.95366	1.1
82.02983	10.5
85.68780	1.0
94.02968	2.4
96.04545	1.6
108.04568	3.0
110.02419	1.4
112.04042	3.4
120.04550	3.6
122.09748	3.1
124.04045	1.6
135.03328	1.2
136.07660	2.4
138.05591	1.8
138.43378	1.2
139.02785	2.0
147.03235	3.1
147.04395	1.3
148.04047	28.7
149.04828	12.7
150.05606	60.0
151.05891	1.9
154.05110	4.8
160.02945	1.2
160.04077	6.3
161.04829	17.7
162.05591	4.3
163.02733	3.4
164.03529	11.2
164.07130	4.5
166.08743	4.0
173.03548	11.2
173.04858	2.8
174.04335	43.3
174.05638	5.1
175.05066	17.3
175.06410	10.5
176.05595	2.4
177.06587	1.7
186.05606	2.9
187.06418	5.7
188.07176	2.1
189.06664	15.4
190.05098	2.2
190.07471	49.4
190.09117	2.5
191.05882	3.1
191.08171	7.3
198.33878	1.1
200.07120	5.6
201.07985	6.1
202.07494	6.7
202.08904	4.3
203.05898	4.8
203.08113	2.8
204.06532	1.4
209.04742	1.4
213.10301	2.7
214.05156	2.3
214.07135	1.2
214.11063	4.1
215.08195	2.7
216.06693	3.7
216.08583	1.5
217.07404	4.0
217.09534	2.1
219.11342	1.4
220.09802	2.3
226.08763	2.6
228.06714	5.5
229.06253	1.2
231.07680	8.2
232.08525	57.2
233.06931	1.1
233.09215	21.3
240.09021	1.5
241.09824	2.1
242.08185	3.3
242.10446	2.8
243.07555	9.6
243.11336	2.6
244.08240	27.2
245.06918	2.1
245.09248	25.3
246.09813	2.1
247.08231	1.3
253.13515	1.8
262.09631	5.6
263.10303	2.1
267.07730	1.6
268.08533	5.3
269.09268	2.9
270.07535	1.5
271.14514	11.9
285.08914	2.7
286.09561	17.5
287.10446	12.1
288.10938	1.5
289.09308	1.4
296.14050	4.2
303.10150	1.2
304.10638	2.8
312.17337	1.7
315.13495	7.5
325.15671	1.4
337.10617	2.0
341.13327	1.4
347.17899	2.0
354.18301	9.2
366.18152	2.6
384.19238	2.7
390.18048	3.0
398.17255	9.3
408.19281	7.5
409.17908	2.8
410.17139	5.3
426.20297	10.3
428.18369	1.4
434.17108	4.7
452.18246	48.9
453.18301	7.2
467.17099	4.1
468.17413	2.1
470.19330	40.4
471.19556	5.0
477.18314	1.2
502.18518	2.9
560.22260	9.9
561.23138	2.7
572.22491	7.1
589.26782	2.8
590.23151	1.5
614.23608	11.7
615.23602	10.8
616.24481	1.3
632.24597	100.0
632.89655	1.3
633.25330	35.5
634.26141	3.1
711.51556	1.1
723.28522	5.1
777.29901	4.7
795.31018	57.8
796.31366	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	795.308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	6.1
63.50950	0.9
70.30467	3.3
71.01376	1.1
85.02924	1.3
93.96559	0.8
97.06596	5.0
97.46281	0.9
107.05056	1.9
108.02193	0.8
135.04524	32.0
135.20990	0.9
136.04837	1.1
146.03714	1.2
148.05267	1.1
151.07631	0.9
159.04488	3.3
161.06075	4.3
161.09758	1.5
162.06839	1.2
163.07599	1.0
173.06076	3.2
174.06877	1.5
175.03929	1.4
175.07666	1.3
176.04787	3.8
176.08240	1.0
177.09219	11.8
179.03497	2.5
185.06096	1.6
186.06850	2.4
186.88371	0.9
187.07680	6.7
188.04790	2.6
189.09195	9.6
199.07509	1.3
204.07953	5.3
205.08673	8.4
205.12131	1.2
215.10774	12.3
217.08662	4.1
233.11810	19.8
234.12180	1.4
259.09692	1.3
277.10797	100.0
278.11084	8.4
321.09793	13.6
322.09976	1.3
345.60696	0.9
550.44116	0.9
609.35754	0.9
682.68774	1.0
691.54553	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4741
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.8
59.01382	9.1
60.99301	2.2
61.98828	7.8
69.03452	1.0
71.01378	5.5
71.51576	0.8
72.26466	0.7
73.02941	2.0
78.95913	4.8
80.96526	0.7
81.03427	1.0
83.05027	4.5
85.02937	2.1
87.00859	1.7
88.98810	13.8
89.02453	3.4
91.85281	0.6
93.03458	0.9
95.01376	0.8
95.05031	1.7
96.96962	1.1
97.02940	0.8
97.06571	2.7
99.04508	1.2
101.02437	4.8
109.06608	0.9
111.04510	1.6
112.05374	0.7
113.02452	2.9
113.09712	0.7
115.07623	1.4
117.48107	0.7
119.03474	1.2
123.04507	0.6
123.08144	1.1
125.02464	0.9
125.06085	2.4
125.09723	1.8
127.07656	0.8
135.04497	0.9
135.08159	2.9
139.07674	1.0
143.07135	9.4
145.05087	1.6
153.09218	11.1
155.10777	1.6
157.08670	1.7
158.93655	0.8
161.04550	2.0
163.07613	1.5
163.11316	1.2
165.09157	0.8
169.08698	1.6
171.10272	1.1
178.09979	0.8
181.08716	6.8
181.12300	1.1
191.46307	0.7
209.11870	0.9
217.15945	2.5
235.08224	8.6
235.16893	1.9
240.78880	0.7
241.01321	1.5
249.18626	1.6
253.09322	14.8
255.23232	1.6
261.14990	7.6
277.21704	100.0
278.22067	10.0
279.16028	24.9
280.16309	2.2
290.46063	0.8
297.17099	12.9
298.17590	1.0
325.19873	0.8
369.94379	0.7
469.72305	0.9
473.37390	0.8
497.24197	1.8
498.06836	0.7
513.30780	1.0
515.25024	2.4
693.65210	0.8
720.80566	0.7
775.47034	3.7
776.46185	1.1
793.37451	3.3
793.48090	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	793.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
57.55223	0.2
59.01364	0.5
61.98837	1.5
63.18277	0.2
67.52636	0.1
71.01370	0.4
71.51215	0.1
71.52586	0.1
73.02946	5.5
73.03362	0.3
75.00871	0.4
89.02414	0.2
95.06235	0.1
99.00869	1.2
99.92586	11.2
100.92603	0.6
101.02440	0.1
102.61454	0.1
106.73914	0.1
109.33401	0.1
112.04255	0.1
114.93400	0.8
115.00367	0.2
116.03532	0.2
116.92861	100.0
116.97250	3.0
117.01939	9.4
117.02815	0.2
117.05556	0.2
117.92870	4.7
135.04550	0.2
190.89578	0.2
227.64397	0.2
249.89685	0.1
277.21643	0.3
283.25369	0.1
335.17700	0.3
397.13470	0.2
501.08295	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4736
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	1.5
59.01381	13.6
61.98829	31.4
63.83007	1.0
71.01375	12.2
72.99303	1.3
73.02943	2.8
78.95900	2.6
80.02649	1.1
80.53423	1.0
81.03442	2.1
83.05012	5.7
84.02163	1.1
85.02947	2.7
87.00856	1.9
89.02453	6.2
95.05024	2.2
96.96022	1.7
97.02927	2.3
97.06591	2.2
99.00841	1.7
99.04525	3.1
101.02441	6.7
103.97453	1.0
109.06606	1.2
111.04504	1.1
112.05306	1.8
113.02457	4.0
113.09715	1.1
115.07652	2.3
119.03495	2.0
121.02886	1.0
123.04520	1.2
123.08140	1.2
125.09718	5.9
127.07629	3.7
135.04478	1.3
135.08160	5.3
136.68486	1.0
137.09720	1.3
152.99619	1.6
153.09203	23.1
154.09367	1.1
155.10796	2.0
157.08737	1.5
161.04570	3.3
163.11276	4.9
165.12851	2.3
171.10255	34.5
178.09978	3.8
179.05571	1.8
179.10870	1.0
181.12355	1.9
185.11871	7.0
191.10785	2.1
197.11794	6.8
199.09720	1.2
201.11290	3.8
207.10220	2.1
209.11809	60.5
210.12138	2.9
211.13330	2.0
225.11343	2.4
235.08321	3.3
236.10594	1.3
238.12112	1.0
245.19067	3.0
249.18576	100.0
250.18950	8.9
253.09258	17.8
255.23206	1.4
271.16992	1.3
277.21698	10.2
278.21964	1.2
279.19583	1.5
289.18054	21.2
290.18448	1.3
297.20761	2.0
307.19131	81.0
308.19562	6.0
311.16815	3.3
325.20172	41.7
326.20508	3.3
328.60992	1.0
407.19226	1.6
416.14819	1.1
458.34393	1.1
474.59302	1.0
481.25620	2.2
525.26758	6.5
543.28052	27.3
544.28418	1.7
561.28851	5.8
706.39520	3.0
738.02582	1.2
775.46008	12.5
776.46759	2.7
793.47717	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	792.4032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.95703	0.2
61.98828	100.0
62.98526	0.3
63.99249	0.3
69.15299	1.9
71.01388	0.2
88.98806	1.9
128.83138	0.2
130.55463	0.2
131.37004	0.2
140.36728	0.2
173.75400	0.2
201.33620	0.2
209.11902	0.2
249.52075	0.2
277.21649	0.2
333.03519	0.2
378.46326	0.2
523.10376	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.5
61.39541	0.1
61.98829	100.0
62.98515	0.2
65.16483	0.1
71.01407	0.3
71.52373	0.2
80.96547	0.2
90.16515	0.1
99.92591	0.2
116.92854	1.2
141.01744	0.2
171.10300	0.2
250.71936	0.1
291.19711	0.3
303.86884	0.2
375.32141	0.2
554.03674	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
57.81797	0.2
59.01388	0.8
61.98832	33.3
70.72066	0.5
70.72414	0.3
71.01385	0.5
72.41888	0.2
73.02948	4.2
78.63956	0.2
78.95922	0.3
80.96507	0.4
87.00919	0.2
96.96065	0.3
99.00874	0.7
99.92583	10.5
100.92609	0.7
101.02422	0.3
114.55672	0.2
114.93430	0.5
115.00397	0.2
116.92863	100.0
116.97227	2.7
117.01944	6.9
117.92863	4.2
141.01701	0.3
164.57516	0.2
166.48833	0.2
237.20305	0.2
277.21591	0.3
277.64221	0.2
335.17355	0.3
793.51068	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01349	0.3
61.98828	100.0
62.99277	0.2
63.69181	0.2
63.99259	0.5
69.23013	0.2
71.01376	0.3
71.51565	0.2
78.91902	0.3
78.95916	0.3
80.91700	0.2
88.98805	0.3
96.96039	0.3
102.69432	0.2
114.93420	0.3
149.11662	0.2
184.20247	0.2
249.18585	0.2
400.19876	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4451
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.8
64.99754	0.3
83.05042	0.4
84.55193	0.3
85.02948	0.6
85.89505	0.4
91.05529	4.4
92.05866	0.3
93.03461	1.3
95.43363	0.3
97.06604	1.9
107.05021	14.5
108.05322	0.5
109.02957	0.6
109.09867	0.3
111.00877	0.5
119.05029	0.5
121.02934	1.1
124.01654	1.6
125.02505	0.5
133.01437	0.5
133.02985	0.4
134.03716	1.1
135.04521	100.0
136.04788	3.4
137.06079	1.9
149.02486	0.4
150.03201	1.1
151.04013	2.8
159.04480	1.0
159.08197	0.7
161.06010	0.7
161.09787	0.4
171.08138	0.9
173.06010	0.6
174.03168	0.4
174.06761	0.4
175.07687	0.4
176.04831	0.9
177.09198	2.4
179.03534	1.0
181.05057	6.0
184.05251	0.4
185.06047	1.7
187.07616	3.3
187.11229	1.0
188.04817	0.5
189.09195	2.4
197.09734	0.9
199.07646	2.6
203.06949	0.4
204.07924	1.9
205.08687	2.3
205.12306	0.6
215.10748	7.6
217.08710	0.8
233.11847	3.5
249.11635	0.5
259.09729	3.4
277.10791	40.7
278.11133	3.6
295.11877	6.1
296.12265	0.7
321.78314	0.4
339.10825	18.4
340.11115	1.4
451.32831	1.1
578.59399	0.4
616.80328	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4752
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
71.51658	0.5
78.95900	2.6
107.05015	0.3
109.41085	0.3
109.74245	0.3
110.98596	0.4
114.48383	0.3
133.02956	5.7
134.03772	2.5
135.04532	12.3
136.04831	0.5
137.02469	1.2
139.04071	0.4
152.99599	2.0
161.02449	18.1
162.02768	0.5
171.10271	0.5
178.02748	0.9
179.03519	5.4
285.20798	1.2
429.22769	2.1
430.23276	0.4
447.23911	0.8
448.24286	0.5
555.25824	1.0
727.47906	30.6
728.48364	7.1
790.29626	0.5
790.44080	0.7
791.46045	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.3863
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98537	0.2
71.01387	0.2
71.50892	0.3
88.98846	0.2
124.85603	0.1
135.78284	0.1
183.01335	0.2
277.21805	0.1
297.15408	0.3
624.26434	0.1
761.26129	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	790.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
78.95912	0.2
111.05711	0.1
118.33329	0.1
133.01447	0.2
137.94098	0.1
161.02446	0.1
202.40733	0.1
222.99867	0.1
263.16599	0.3
277.21875	0.2
291.19629	0.3
293.21274	0.2
309.20813	0.5
315.18069	0.1
791.45837	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.423
Annotation	Unknow
Peak:m/z	Relative Intensity
58.34912	0.1
59.01384	0.2
61.98829	100.0
62.98520	0.1
71.01399	0.2
71.52444	0.1
75.62807	0.1
78.95898	0.2
79.95744	0.1
96.96024	0.4
99.42789	0.1
101.02465	0.1
117.41041	0.1
133.02963	0.2
133.38676	0.1
151.56526	0.1
161.02504	0.1
171.10335	0.3
198.46556	0.1
249.18631	0.4
265.17999	0.2
277.21829	0.3
279.07202	0.2
287.16754	0.2
289.79520	0.2
293.21393	0.4
307.19159	0.1
309.17526	0.1
315.89352	0.1
325.18091	0.1
330.60886	0.1
355.08469	0.1
358.29337	0.1
451.67877	0.1
466.94092	0.1
791.46436	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4071
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98554	0.2
69.21066	0.3
69.21483	0.7
72.99322	0.1
78.95923	0.2
88.19532	0.1
109.06569	0.1
126.86156	0.1
168.06642	0.1
175.92613	0.1
194.95120	0.1
197.77808	0.1
207.10352	0.1
249.18695	0.2
251.19492	0.1
255.23427	0.1
257.66318	0.1
277.21677	0.2
295.44708	0.1
696.39777	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.4459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.8
60.99006	1.3
60.99308	20.5
61.98826	1.2
68.61754	0.6
71.51891	0.8
76.65776	0.7
78.95889	1.5
87.28397	0.7
88.98809	100.0
109.78286	0.6
133.02936	1.1
134.03726	0.6
135.04546	1.8
151.29683	0.7
152.99553	1.2
161.02448	2.9
179.03529	1.1
187.66478	0.7
215.10764	1.2
221.63181	0.7
224.72787	0.8
233.11870	0.8
277.21707	3.9
292.79279	0.6
331.21643	0.7
468.07901	0.8
699.44940	6.4
700.44836	1.5
773.12799	0.7
789.41876	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.3
61.98830	100.0
69.89491	0.5
71.01383	0.3
78.58682	0.1
78.95908	0.3
81.33123	0.2
87.26221	0.2
91.17474	0.2
101.02458	0.2
107.15079	0.2
121.36731	0.2
133.01447	0.2
135.04593	0.2
141.01721	0.4
303.40100	0.2
311.22189	0.2
611.76031	0.2
634.27240	0.2
635.97919	0.2
681.84644	0.2
814.80353	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.371
Annotation	Unknow
Peak:m/z	Relative Intensity
57.66421	0.1
59.01381	0.4
61.98829	100.0
62.98534	0.2
70.38243	0.5
71.01369	0.1
78.95913	0.3
156.67152	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	788.4068
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.2
61.98830	100.0
62.98530	0.3
63.99254	0.5
65.81850	0.1
71.52187	0.2
78.95915	0.5
80.96516	0.3
89.81470	0.2
133.02971	0.6
135.04524	0.7
161.02419	1.0
179.03499	0.2
214.89561	0.2
255.23491	0.2
277.21725	0.2
285.20734	0.3
501.53543	0.2
789.48547	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81863	0.6
59.01364	1.2
61.98830	56.1
63.02418	0.9
69.81831	1.8
69.82224	1.6
70.69261	0.7
79.60214	0.8
83.01387	0.7
94.87897	0.7
107.01411	0.8
109.02902	0.9
120.32782	0.8
129.42224	0.8
132.02182	1.2
134.03729	1.6
135.00882	0.9
135.04538	1.5
149.92755	0.7
151.00372	4.1
160.01717	1.0
164.01208	1.1
175.03955	1.2
178.05049	1.9
178.99841	1.4
183.04433	0.9
199.04054	0.9
199.41795	0.8
211.03984	0.9
222.04051	0.9
227.03485	31.7
227.05748	1.7
228.03935	1.6
229.05064	2.4
255.02972	64.9
256.03540	6.6
257.04507	2.6
283.02420	1.4
284.03256	100.0
285.03909	21.9
286.04379	1.1
309.04211	1.0
311.50888	0.8
327.05026	0.8
372.10803	5.1
440.31049	0.9
484.36011	0.7
517.38672	0.8
725.19354	81.8
726.19604	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	787.4486
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	4.1
61.98831	83.6
71.01373	3.0
74.67320	1.4
78.95902	6.7
83.05028	4.9
84.26003	1.9
85.02921	2.1
88.98786	2.1
89.02435	1.9
98.20685	2.5
101.02483	2.0
112.49818	1.6
117.31591	1.5
119.27915	1.6
128.03656	1.7
152.99582	2.0
163.11214	2.4
193.43591	1.5
201.60249	1.6
205.76891	1.7
207.10313	1.7
209.11826	100.0
210.12140	6.0
227.12894	10.0
249.18565	48.9
250.18936	2.5
253.09430	8.5
259.15521	2.2
277.21637	3.6
311.16824	2.8
445.20471	4.3
497.73361	1.8
787.44788	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	787.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84061	0.3
59.01378	18.7
62.81292	0.3
71.01381	6.2
71.52406	0.2
71.52805	0.3
73.02946	6.7
83.01376	2.2
85.02955	0.8
89.02442	2.2
91.05014	0.4
91.05538	4.8
91.83029	0.3
93.03458	1.4
96.96015	0.3
99.00893	0.3
101.02435	7.5
107.01391	0.6
107.05029	14.5
108.05383	0.5
109.02958	0.6
113.02451	2.5
115.00332	0.3
119.03508	1.1
121.02972	1.1
123.04513	0.6
124.01646	1.3
125.02427	0.8
126.52749	0.3
131.03522	0.8
133.01434	0.4
134.03766	0.4
135.04523	100.0
136.04832	3.3
137.02406	0.3
137.06111	1.7
143.03471	0.7
149.02556	0.3
149.04549	1.4
150.03262	0.7
151.00357	1.9
151.03990	3.5
152.04379	0.3
161.04573	2.6
163.00377	0.5
172.33929	0.3
178.99867	0.9
180.04315	0.3
181.05040	3.5
203.05617	0.3
221.06677	0.8
227.03517	0.3
243.03018	0.9
245.04756	0.4
255.03018	2.7
265.07504	0.3
271.02475	6.0
272.02893	0.5
277.10785	11.5
278.11072	0.8
283.02457	0.4
286.40070	0.3
295.11853	3.7
300.02731	10.9
301.03470	9.0
302.03842	0.7
339.10822	10.1
339.14929	0.5
340.11371	0.6
417.21252	1.3
447.09286	17.7
448.09576	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.7
61.98830	100.0
62.98547	0.3
69.20117	0.4
69.20519	1.2
71.01386	0.3
76.42768	0.2
78.95893	1.7
79.47747	0.1
80.96521	0.4
81.27317	0.2
83.47546	0.2
88.98833	0.2
89.02466	0.2
95.04978	0.2
96.96973	0.2
101.02467	0.2
110.03281	0.2
113.02448	0.2
123.04519	0.2
133.06671	0.2
135.08145	0.9
136.08554	0.2
152.99626	0.9
153.09126	0.2
179.07144	2.4
180.07532	0.7
197.08185	0.4
197.75925	0.2
198.08694	0.2
219.91885	0.2
224.73003	0.2
235.08228	0.2
253.09250	0.7
254.22345	0.2
255.23354	0.3
277.21710	3.6
278.22015	2.7
279.22714	0.2
303.23346	0.2
694.38971	0.5
786.41876	0.5
787.39935	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57853	0.1
59.01385	0.5
61.24327	0.1
61.98829	100.0
64.57323	0.2
66.83035	0.1
70.69606	0.2
74.81177	0.2
78.95926	0.2
86.53033	0.1
88.98805	0.2
106.02452	0.2
124.20930	0.1
207.10228	0.2
209.11885	0.2
369.21106	0.1
763.53729	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.6
61.98831	100.0
64.63489	0.2
69.61783	0.2
78.95895	0.4
98.48660	0.2
121.02975	0.7
128.55191	0.2
132.34009	0.2
151.54907	0.2
165.02026	0.3
174.44525	0.2
174.49039	0.2
197.77321	0.2
222.71550	0.2
346.84967	0.2
375.14862	0.2
463.94345	0.2
553.13287	0.2
771.89020	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99316	0.2
61.98830	100.0
69.27555	1.2
78.95906	2.6
80.96532	0.3
88.98809	0.8
89.02460	0.4
91.62286	0.1
96.96970	0.2
98.20615	0.3
146.56247	0.2
151.82695	0.2
152.99577	1.2
179.07260	0.2
187.73547	0.1
195.10324	0.2
265.77078	0.2
277.21774	0.4
278.22067	0.4
303.23453	0.4
322.19836	0.2
331.64359	0.1
439.22736	0.4
482.15851	0.3
618.57422	0.2
634.33276	0.3
786.40375	0.4
787.39374	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	25.7
60.99310	6.7
61.98829	20.9
65.93833	1.0
71.01373	5.5
71.23237	1.7
72.99315	1.2
73.02976	1.2
78.95921	4.8
80.96506	1.0
81.03442	3.0
81.95488	0.8
83.05032	2.3
87.00877	1.4
88.98803	29.9
89.02444	7.0
97.02959	5.9
99.00887	1.0
101.02461	4.0
109.06590	32.7
113.02455	1.2
116.92854	2.4
119.03550	1.2
121.06620	3.2
135.08165	3.5
142.02682	2.1
152.99631	1.3
156.09677	1.0
161.04538	1.2
161.09700	1.9
163.11276	20.0
163.12561	1.4
164.11650	1.0
179.07091	1.2
181.12328	4.2
183.01170	1.6
188.36627	1.1
189.09215	3.7
207.10249	100.0
208.10606	5.9
209.11766	1.3
225.11298	32.6
226.11766	1.1
235.08235	2.5
239.12946	1.6
241.01154	1.1
249.18585	69.9
250.18846	6.5
253.09241	13.6
255.23407	1.2
277.21774	3.5
299.15054	1.3
325.18423	5.3
359.70486	1.0
413.30362	1.5
443.19043	6.6
447.23642	0.9
461.20444	11.4
640.16278	1.0
675.37103	1.4
693.38513	31.9
694.39038	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	784.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56070	0.2
57.21381	0.3
59.01368	0.6
61.98831	100.0
62.44224	0.2
63.72633	0.2
71.01397	0.9
71.51642	0.4
78.95910	1.7
78.98590	0.6
79.95724	1.5
80.96518	7.7
85.02953	0.3
94.98090	1.7
101.02459	0.6
106.98100	0.3
113.12293	0.2
116.92863	0.4
121.84599	0.2
122.97573	0.3
125.02440	0.3
148.99146	0.8
152.98602	0.6
164.98618	1.0
171.86917	0.2
209.11765	0.6
225.00777	2.3
226.01091	0.3
227.12793	0.4
251.70430	0.2
255.23201	0.4
277.21753	1.4
278.22018	0.9
334.14688	0.2
740.38678	0.4
783.42822	0.3
784.42285	9.5
785.41791	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51751	0.3
59.01377	1.2
61.98832	8.1
62.83768	0.3
66.01097	0.3
70.88991	0.2
70.92397	0.5
71.01390	0.3
72.99303	0.3
75.00872	0.3
77.03959	0.3
91.01894	0.9
93.03421	0.4
96.68620	0.3
108.90192	1.1
115.49742	0.2
120.02171	0.7
121.02959	100.0
122.03288	3.2
135.04546	0.4
136.01666	0.7
165.01945	2.7
165.05569	0.3
181.05145	0.4
181.06584	2.5
182.06943	0.4
191.03540	2.4
195.58168	0.3
197.11873	0.7
209.04549	70.6
210.04877	3.5
225.05626	2.5
241.35585	0.3
249.18616	0.3
253.09319	0.3
313.07156	5.2
357.06122	1.7
401.08716	10.6
402.09003	1.0
549.10193	0.6
575.12555	0.4
740.03906	0.4
741.14343	0.4
785.17139	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56070	0.2
57.21381	0.3
59.01368	0.6
61.98831	100.0
62.44224	0.2
63.72633	0.2
71.01397	0.9
71.51642	0.4
78.95910	1.7
78.98590	0.6
79.95724	1.5
80.96518	7.7
85.02953	0.3
94.98090	1.7
101.02459	0.6
106.98100	0.3
113.12293	0.2
116.92863	0.4
121.84599	0.2
122.97573	0.3
125.02440	0.3
148.99146	0.8
152.98602	0.6
164.98618	1.0
171.86917	0.2
209.11765	0.6
225.00777	2.3
226.01091	0.3
227.12793	0.4
251.70430	0.2
255.23201	0.4
277.21753	1.4
278.22018	0.9
334.14688	0.2
740.38678	0.4
783.42822	0.3
784.42285	9.5
785.41791	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
60.40437	0.2
61.98827	100.0
62.57677	0.2
62.98532	0.3
68.99548	0.3
70.52556	0.4
70.52892	0.3
71.01387	0.8
78.95901	0.6
78.98592	0.4
79.95731	1.3
80.96515	5.9
82.96102	0.3
94.98077	1.4
101.02478	0.3
106.98099	0.4
116.92900	0.3
118.29901	0.2
122.97605	0.3
125.95050	0.2
130.45636	0.2
134.97594	0.6
148.99112	0.6
152.98595	0.4
152.99687	0.3
154.26930	0.2
161.02469	0.2
164.98605	1.0
176.96861	0.2
181.00897	0.2
225.00690	1.4
226.01241	0.3
277.21783	0.6
579.85901	0.2
740.40027	0.3
766.41022	0.3
770.31622	0.3
783.42755	0.6
784.42334	7.6
785.41882	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.413
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.2
61.98827	100.0
62.98516	0.2
70.92315	0.1
70.92647	0.2
71.01399	0.3
73.08884	0.1
78.95911	0.3
78.98600	0.2
79.95724	0.7
80.96513	3.2
82.96100	0.1
85.02976	0.1
87.00890	0.2
89.11182	0.1
94.98080	0.6
97.80679	0.1
99.54202	0.1
101.02476	0.1
116.92849	0.1
122.97623	0.2
129.90744	0.1
134.97557	0.2
135.04462	0.2
136.99135	0.1
148.99120	0.2
152.98611	0.3
152.99681	0.2
161.02386	0.2
164.98639	0.6
165.98984	0.1
206.99673	0.2
207.10262	0.1
212.43602	0.1
218.73459	0.1
225.00674	0.5
226.00931	0.1
255.23181	0.1
264.45380	0.1
277.21704	0.3
278.21985	0.1
447.21710	0.1
740.39325	0.2
783.42780	0.2
784.42346	3.8
785.42328	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.3812
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	51.6
61.98832	22.2
62.68779	3.4
69.03455	4.1
71.01377	13.3
71.51577	6.3
73.02937	3.8
78.95909	6.2
80.30695	3.3
81.03445	7.8
83.05017	7.2
85.02913	4.7
86.47851	3.2
89.02459	6.8
95.05009	8.3
95.08886	3.1
97.02959	15.4
97.03513	3.1
97.06593	10.1
101.02456	8.8
105.19878	3.1
109.06592	44.9
113.02490	6.1
121.06613	4.3
133.01328	4.9
135.04527	3.4
135.08191	11.9
139.07669	5.2
153.73611	3.7
161.09726	6.4
163.11293	27.7
179.07034	3.5
181.08696	4.8
181.12320	11.1
189.09129	5.1
189.12842	3.4
194.58189	4.1
195.10347	4.3
207.10248	100.0
208.10611	6.2
209.11789	14.7
217.15894	18.9
223.13380	11.2
225.11314	50.9
226.11707	5.6
253.09163	25.6
255.02898	4.1
261.14905	18.2
279.15887	20.0
289.17990	7.8
320.07950	3.3
341.23294	11.6
461.20175	24.4
607.27374	7.5
625.28528	6.7
665.95648	4.0
687.33722	5.9
705.35132	6.4
723.36005	21.0
724.36267	7.1
783.42078	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.3804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08974	0.5
55.65149	0.6
59.01373	1.8
60.99310	17.6
61.98826	4.6
63.44271	0.6
71.01375	0.6
78.95908	2.5
79.05502	0.7
80.96515	1.3
87.00880	1.9
88.00420	2.8
88.98807	100.0
89.02442	12.5
94.98111	1.1
111.48085	0.6
126.06599	0.6
152.99620	1.1
172.18236	0.6
227.12984	1.9
241.01244	0.7
246.69339	0.6
277.21811	1.1
278.80475	0.6
325.18491	2.4
345.62592	0.6
783.38916	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4661
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
73.05037	33.8
75.62931	35.4
89.16122	34.7
112.16383	32.6
113.32682	35.7
120.99889	36.0
167.00937	36.0
180.97316	40.0
253.03799	37.9
570.77863	37.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4663
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
78.95911	40.4
86.39159	14.1
97.35672	13.2
189.12825	13.9
200.17110	14.3
215.44171	14.7
239.78354	18.1
247.67863	14.4
302.60654	15.8
654.25806	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	783.3448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.3
57.02961	1.5
57.03428	1.9
59.01380	100.0
61.98829	15.2
69.03444	1.6
71.01386	31.0
72.99300	2.5
73.02942	17.5
83.01381	10.4
85.02950	17.4
87.00873	4.2
88.04038	1.9
88.98759	1.6
89.02447	4.3
93.66218	1.3
95.01393	5.3
96.70153	1.4
97.02958	4.5
98.20762	2.9
99.00887	4.7
101.02439	26.7
113.02454	15.4
125.02469	7.9
143.03462	4.9
159.03041	3.3
161.04509	7.6
174.32648	1.5
207.10254	2.2
209.11813	1.9
211.13362	1.9
229.65146	1.8
256.91614	1.6
273.13300	1.6
449.28729	2.4
491.30118	2.5
498.47864	1.9
556.54657	1.8
593.33264	9.9
611.34351	7.5
635.34326	9.4
636.34515	2.2
653.35352	49.7
654.35388	9.8
695.36511	41.0
696.36987	6.5
783.42719	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	781.4382
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	0.9
59.01379	11.9
61.98832	50.7
65.10845	0.6
65.77303	0.6
69.03432	0.7
70.07549	2.1
71.01379	7.5
73.02932	1.7
78.95901	5.2
78.98598	1.8
79.95741	4.6
80.02687	0.7
80.96516	26.1
81.03452	1.3
83.01408	1.3
83.05024	1.4
85.02944	2.3
87.00877	2.9
88.98800	1.9
89.02436	2.7
94.98077	5.1
97.02953	4.7
99.00890	1.8
101.02420	4.8
106.98154	0.8
107.04995	0.7
109.05820	0.8
109.06583	15.4
113.02450	2.0
116.78194	0.6
119.03576	1.0
121.06574	1.6
122.97569	0.8
123.04535	1.1
125.02422	0.7
127.04008	0.9
133.03004	0.8
134.03775	0.8
134.97581	1.9
135.04523	3.5
135.08162	1.5
136.05284	0.7
136.99129	0.7
139.04063	0.6
142.02693	1.1
142.94470	0.6
145.05177	1.0
148.99103	2.0
152.98640	2.1
152.99678	1.2
161.02451	4.0
161.04555	1.9
161.09760	1.5
163.11266	7.4
164.87801	0.6
164.98630	4.0
179.03477	1.0
181.12347	2.1
184.46568	0.6
189.09213	1.9
207.10248	49.7
208.10628	2.6
209.11769	1.9
211.30275	0.7
225.00700	6.0
225.11316	14.6
225.13425	0.5
226.11612	1.2
235.08206	6.4
253.09299	9.8
255.23309	1.8
277.21710	100.0
278.22012	6.7
443.19153	3.0
461.20209	3.0
513.30542	1.4
651.72717	0.7
699.44824	1.3
700.44910	7.5
701.45831	1.7
703.40802	1.5
721.41644	25.8
722.41687	3.6
781.40448	30.4
782.40863	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	781.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	6.0
61.44310	0.8
61.98821	1.4
69.42691	5.7
71.01377	6.5
71.98805	0.7
73.02947	0.9
75.00877	0.8
85.02974	1.4
88.37981	0.7
91.05534	4.4
93.03462	1.9
96.36770	0.6
96.96024	4.6
96.96980	0.7
97.06615	1.1
101.02449	1.9
107.05020	12.3
113.02422	1.0
115.00383	4.2
119.05085	1.3
121.02957	2.2
124.01670	2.3
125.02434	1.0
133.01479	6.1
133.02934	1.6
134.03738	4.8
135.04530	100.0
136.01559	0.8
136.04836	4.5
137.02444	1.1
150.03229	1.6
151.04005	5.8
153.41635	0.7
161.02446	1.6
162.03218	2.8
174.53633	0.7
176.27655	0.7
177.02039	1.4
178.02679	2.3
179.03488	2.0
179.10751	0.8
183.13818	0.7
207.10306	2.3
227.12920	2.2
232.08461	0.7
275.09302	1.7
277.10797	19.3
278.11063	1.5
293.10193	3.3
321.09799	16.7
322.10266	1.7
355.17685	1.6
373.18665	2.6
415.19748	10.5
533.29559	2.0
575.31171	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.3
60.18009	0.8
61.80598	1.1
61.98825	7.6
63.19868	0.9
63.96235	1.8
69.03436	1.3
70.07738	4.0
71.01373	7.8
73.02946	1.8
78.41937	1.2
78.95906	4.9
78.98598	7.2
79.95736	20.8
80.91702	1.3
80.96516	95.9
82.96107	1.3
85.02944	4.0
85.41057	1.0
87.00883	3.6
94.98076	21.1
96.96020	1.4
97.02966	2.4
101.02412	2.7
106.98071	4.6
109.06551	0.9
122.97533	3.8
125.02434	3.3
125.95203	0.9
127.04034	1.1
128.03595	1.1
134.97595	8.0
136.99115	1.8
148.99144	8.4
152.98627	6.5
164.98631	16.5
206.99736	5.2
225.00729	26.4
255.23315	2.9
537.27118	2.1
541.94275	1.0
689.58612	1.1
709.38251	1.4
737.36993	1.4
763.39484	18.4
764.39752	3.2
781.40387	100.0
782.40698	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.4
59.01382	7.7
61.98812	2.5
63.69024	0.8
69.57815	4.6
69.58228	1.5
71.01379	9.5
72.99294	1.0
73.02930	2.3
75.80272	1.0
83.91003	0.9
85.02938	1.7
89.02416	0.9
89.20916	0.9
90.97747	0.8
91.05524	5.1
93.03465	1.4
96.96018	8.3
98.20659	1.0
101.02432	2.3
107.05032	14.2
109.02945	1.1
113.02444	2.3
115.00381	4.5
119.03497	0.8
119.05004	1.0
121.02962	1.2
124.01648	3.3
125.02423	2.2
127.42641	0.9
133.01425	6.0
133.02942	1.4
134.03720	3.3
135.04524	100.0
136.04860	3.1
137.02411	1.5
150.03159	1.6
151.03958	5.0
161.02461	2.1
162.03220	1.7
178.02663	2.8
179.03436	2.4
179.10703	1.4
181.05028	1.5
189.53398	1.0
193.83124	1.0
207.10213	2.1
227.12854	3.1
271.13394	1.2
275.09210	3.1
277.10782	19.5
278.11102	2.6
293.10223	2.4
321.09750	17.1
322.10165	2.3
355.17599	2.6
363.20160	1.9
373.18637	1.6
415.19708	11.7
416.20233	1.7
533.29474	2.9
575.30170	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	781.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.55737	0.8
59.01382	9.7
60.32207	0.8
61.98821	0.9
65.97138	0.7
71.01380	9.9
72.99290	1.1
73.02931	2.3
79.95736	1.5
85.02953	1.8
87.00864	1.4
89.02457	4.8
89.36617	1.0
91.05525	3.8
93.03440	2.0
96.63111	0.8
96.96011	3.3
97.06584	1.2
99.00832	0.9
101.02428	4.5
107.05035	12.5
108.02142	1.1
111.00922	0.7
113.02462	2.4
114.66183	0.8
115.00385	7.0
121.02946	2.1
122.03651	0.8
124.01621	2.7
125.02451	0.9
131.09468	0.9
133.01428	15.8
133.02948	3.3
134.03711	1.6
135.04526	100.0
136.04811	4.7
137.02403	1.4
150.03224	1.1
151.04068	3.9
157.45609	0.9
161.02429	1.6
161.04626	1.0
162.03233	2.4
164.04813	0.9
177.01923	2.1
178.02596	0.9
179.03545	6.6
227.12817	2.0
236.09520	2.1
275.09253	1.4
277.10770	14.8
306.15915	2.1
311.09149	2.1
321.06161	1.7
321.09747	15.4
326.11273	1.5
339.87408	0.8
341.13840	2.9
355.11752	3.9
393.69009	0.9
486.22287	7.4
621.28467	2.5
677.33887	6.2
695.35211	4.4
737.36267	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36298	1.1
59.01370	4.0
61.98818	2.3
71.01382	8.8
71.52386	1.3
73.02962	1.4
76.92841	0.9
82.36818	1.0
86.94644	0.9
87.53204	0.9
89.02409	1.3
91.05534	3.1
93.03419	1.6
101.02447	1.2
105.03396	1.0
107.05031	12.0
115.00333	4.3
115.87495	1.2
121.02982	2.0
124.01627	4.1
125.15935	1.0
126.57482	1.0
133.01419	2.1
133.02904	1.8
134.03716	3.9
135.04533	100.0
136.04820	7.4
137.02467	1.7
150.03221	1.7
151.04016	8.6
162.03252	1.0
175.07593	3.1
177.01869	1.8
179.03569	5.1
180.04208	1.8
180.70712	1.1
207.14185	1.1
224.03302	1.8
230.98909	1.1
275.09189	2.1
277.10822	18.8
278.11203	1.5
296.09967	1.1
321.09680	6.9
327.19574	1.4
340.09399	1.6
345.20706	2.3
355.11810	7.4
507.25647	2.5
549.26691	5.5
579.28210	1.8
620.88593	1.1
621.29291	8.6
622.30017	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.4543
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.3
61.98829	100.0
62.44139	0.6
69.20403	3.5
69.20827	2.6
71.01379	1.2
78.95915	2.9
81.02907	0.8
98.19930	1.2
124.09466	0.7
126.90412	2.4
133.02959	7.9
134.03746	2.8
135.04527	18.3
135.05524	1.3
136.04904	0.8
137.02464	2.5
137.91550	0.7
139.04039	1.3
161.02451	33.2
162.02882	1.1
171.10469	0.7
178.02682	1.0
179.03502	9.9
253.09489	0.9
255.23383	0.7
277.21716	4.7
278.22104	1.4
285.20792	2.5
316.13904	0.7
429.22708	4.9
447.23999	4.0
448.24130	1.1
586.74414	0.8
717.45764	54.4
718.45990	12.0
781.42816	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.4553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.1
61.98832	100.0
70.25802	2.1
70.76224	0.6
71.01383	2.0
78.91890	1.5
78.95913	3.2
78.98606	1.4
79.95735	3.5
80.91711	1.8
80.96518	21.1
82.96126	0.7
85.02917	0.7
87.00906	0.6
94.98083	5.8
96.97040	0.8
97.02975	0.5
97.32755	0.5
100.06865	0.6
101.02431	0.6
106.98122	0.8
113.02427	0.6
122.97598	0.7
125.02475	1.1
133.02953	6.5
134.03775	2.9
134.97583	1.0
135.04535	15.5
137.02478	2.2
140.71971	0.5
148.99185	1.8
152.98587	1.1
152.99698	1.1
161.02449	23.1
161.03764	1.1
162.02783	0.8
164.98610	4.2
179.03506	6.7
220.56267	0.5
225.00749	5.4
255.23424	1.6
277.21884	1.0
285.20828	0.8
429.22607	3.3
447.24066	1.4
573.30872	0.6
654.11890	0.7
699.44702	45.3
700.45239	8.2
763.40149	2.4
780.39307	7.2
781.40454	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	779.4588
Annotation	Depressoside C
Peak:m/z	Relative Intensity
55.01871	0.7
58.61674	0.7
59.01379	24.4
61.98811	2.4
69.88779	3.5
71.01016	0.9
71.01384	15.5
72.99321	0.9
73.02956	0.7
79.63267	0.6
82.17689	0.6
83.01357	1.2
84.20387	0.6
85.02954	4.6
87.00832	0.7
89.02445	11.1
95.01376	1.2
95.23801	0.7
96.96011	0.7
99.00882	0.7
101.02440	8.2
107.49522	0.8
112.70438	0.7
113.02441	5.0
119.03516	3.5
142.12964	0.6
178.24156	0.6
599.39655	6.4
600.39935	1.7
607.33411	0.6
617.40741	3.7
669.89984	0.7
779.45862	100.0
780.46143	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	779.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.5
59.39254	0.6
70.04135	0.7
71.01363	0.9
73.02948	0.6
91.05538	4.3
96.96008	1.5
98.95586	1.2
101.02463	1.0
107.05031	12.0
119.25705	0.6
122.03746	2.1
124.01665	3.1
125.02479	0.8
135.04524	100.0
136.01622	0.8
136.04797	3.8
148.05318	0.7
150.03200	1.6
151.04002	4.7
161.02448	2.0
162.03247	3.2
177.09198	7.6
205.08698	10.9
229.83539	0.8
259.09656	0.8
277.10797	30.6
278.11166	1.8
307.40555	0.7
321.09760	18.1
322.10095	1.5
473.57471	0.6
504.20740	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.389
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41091	0.9
59.01362	1.9
59.82448	0.9
61.98832	10.5
62.32735	0.9
63.96230	1.3
69.03449	1.0
71.01389	7.9
71.51227	0.9
73.02928	1.8
78.54642	0.8
78.95907	6.0
78.98604	6.8
79.95731	14.1
80.25052	0.8
80.96516	81.0
81.03406	0.9
85.02934	2.3
87.00851	1.8
88.21720	1.0
94.98090	17.8
96.95977	1.3
97.02959	2.1
101.02430	3.1
106.98071	3.7
112.97371	0.8
122.97561	3.0
125.02415	3.1
134.97565	6.1
135.04504	3.0
136.99095	2.9
148.99123	7.1
152.98586	5.9
152.99615	2.3
164.98622	15.0
165.98946	1.1
181.05089	1.0
197.11844	5.1
206.99637	3.7
215.06102	0.9
225.00725	22.5
227.93349	0.9
244.70885	1.0
251.20064	3.5
255.23326	8.1
267.69574	1.0
277.21628	2.4
309.20609	1.2
523.15070	2.0
537.27289	1.3
609.49988	1.0
615.16144	1.1
779.38928	100.0
780.38940	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	778.4399
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	0.7
61.97879	0.5
61.98827	1.2
69.42475	3.7
71.01376	0.6
72.00914	3.5
73.40982	0.4
82.69613	0.5
93.03461	1.3
96.96036	0.5
100.00412	9.6
107.05025	5.2
109.09861	0.4
117.03465	10.3
119.05030	100.0
120.05367	3.9
134.06172	1.1
145.02957	50.4
146.03313	2.3
152.77237	0.5
163.04008	22.1
164.04341	1.0
176.07117	0.6
179.03529	0.6
180.06668	7.1
206.04578	67.7
207.04872	2.6
213.41957	0.5
282.11438	0.6
308.88568	0.5
326.10327	69.9
327.10657	6.8
452.33594	0.6
569.06702	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	2.9
61.98832	9.7
69.67988	1.2
69.68386	2.4
71.01382	1.4
73.24017	0.5
81.93870	0.5
81.95707	0.4
91.05521	6.0
93.03471	1.2
96.96054	0.6
97.06586	0.9
98.20688	0.6
101.02467	0.8
107.05030	13.5
108.05387	0.5
113.02480	0.5
119.05001	0.9
121.02959	1.6
124.01667	3.0
133.01411	0.7
134.03781	1.0
135.04523	100.0
136.04808	4.3
149.02507	0.6
150.03244	1.2
151.03992	3.8
155.03481	0.6
161.02448	2.1
162.03214	2.8
163.04051	0.7
215.10815	0.7
228.71921	0.5
252.92331	0.6
259.09695	1.3
259.32428	0.7
277.10791	26.1
278.11044	1.2
321.09766	18.0
322.10153	1.6
709.84326	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.48
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.2
61.98828	13.0
69.03455	0.6
69.63325	1.0
69.63732	1.8
71.01378	4.8
73.02944	1.9
78.95905	1.2
80.96500	1.0
83.01383	1.0
85.02953	0.9
87.00880	1.1
89.02447	2.6
97.02990	0.5
101.02444	4.7
107.80772	0.5
111.08154	3.3
113.02430	2.0
119.03474	1.1
125.09721	2.1
133.05035	0.5
138.58983	0.4
139.11357	0.5
141.09155	0.5
143.07176	0.7
145.05037	1.2
145.87379	0.4
151.07626	1.4
152.99588	0.6
161.04567	2.2
169.08705	13.2
171.10283	1.1
175.61255	0.4
183.10216	1.6
219.17561	0.7
235.08229	9.2
235.17041	1.9
236.08586	0.4
242.63693	0.4
249.18472	2.5
253.09279	14.2
254.09578	0.8
255.23248	0.7
263.16525	8.6
277.21719	100.0
278.22086	8.3
281.17575	21.5
281.20813	0.7
282.17938	1.4
291.19653	1.1
309.20728	2.7
310.20776	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.4385
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	3.2
61.98828	75.8
62.14439	1.7
71.01396	2.2
71.29283	1.8
78.95888	9.0
80.96518	6.2
88.66367	1.7
101.02448	1.6
113.37384	1.9
133.02937	23.8
134.03668	2.3
135.04536	22.7
152.99539	1.9
153.70534	1.5
161.02432	100.0
162.02718	3.9
171.10222	4.4
179.03520	8.9
181.50439	1.6
185.11673	2.5
210.57823	1.6
211.13354	14.0
212.13747	5.3
212.41472	1.7
225.00500	1.7
241.01384	1.7
249.18536	17.5
250.18930	11.8
251.16490	2.0
253.09302	4.0
255.23198	5.5
267.19568	1.7
268.74310	1.6
277.21658	6.1
278.22025	3.9
279.23224	2.6
285.20712	9.0
291.19626	12.7
292.20059	11.5
429.22540	2.0
523.46387	1.9
553.42914	1.8
715.44263	74.3
716.44446	19.1
778.38318	3.1
779.38196	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	777.4793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.5
57.03447	0.5
58.00595	0.7
59.01377	8.3
61.98829	2.1
69.03453	1.1
70.81968	0.6
71.01384	6.0
73.02955	1.3
74.63614	0.3
78.95909	1.0
80.96533	0.4
83.01384	1.0
83.05041	0.7
85.02944	1.8
86.40302	0.2
87.00877	1.0
89.02439	3.9
91.04007	0.3
93.07079	0.4
95.01368	0.5
97.02953	0.8
97.06586	0.7
98.20592	0.3
99.00945	0.3
101.02446	4.7
109.06612	0.9
111.08155	9.3
112.08491	0.4
113.02444	3.2
119.03514	1.4
125.02460	0.5
127.07645	0.8
131.27272	0.2
132.33624	0.2
133.05063	0.5
136.83992	0.3
137.09772	0.6
139.11324	0.3
143.03482	0.6
148.09007	0.3
149.09642	0.3
151.11299	1.0
152.99681	0.4
153.09225	0.6
153.12860	0.9
155.10742	0.5
161.04572	2.2
165.12828	0.4
167.10782	0.4
169.12326	4.0
171.10284	0.7
179.05635	0.9
179.10782	0.4
181.12318	1.0
183.13945	0.7
193.12251	0.4
195.13925	0.4
197.11823	49.7
198.12201	2.6
199.13379	3.7
205.19600	0.8
207.13725	0.6
209.11880	0.3
209.15431	0.6
211.13377	7.2
212.13844	0.3
221.11772	0.3
221.15504	0.3
223.13394	0.4
223.16920	0.5
225.14902	2.8
227.12851	0.7
229.19540	0.3
231.17502	0.6
233.15338	0.4
235.08208	4.8
247.16985	0.6
247.20703	0.4
249.18573	100.0
250.18907	7.3
251.16568	0.6
251.20189	0.5
253.09270	20.6
254.09601	0.7
255.23401	0.6
263.16638	1.9
263.20142	3.7
264.20508	0.3
265.18066	1.1
273.18582	1.8
277.21713	12.1
278.22043	0.9
281.17554	4.0
282.17810	0.3
289.18274	0.4
291.19647	26.9
292.20050	2.1
309.20691	56.7
310.21014	4.5
372.96313	0.3
513.80359	0.3
527.28479	0.7
541.38812	0.4
545.29071	1.2
571.49152	0.3
683.59064	0.3
715.42981	0.3
777.39990	0.8
778.41071	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4788
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.6
59.01384	5.5
61.98832	6.7
69.03435	1.1
69.92286	0.4
69.92596	1.9
71.01382	5.0
71.04990	0.8
73.02944	1.4
77.97160	0.4
78.95897	0.9
83.01389	0.8
83.05031	0.6
85.02956	1.3
87.00877	1.0
89.02458	2.2
95.05016	0.8
97.02940	0.8
97.06585	1.2
99.00910	0.4
101.02460	3.5
111.08129	1.1
113.02457	1.9
119.03465	0.5
123.08118	0.6
125.06112	0.8
127.07641	0.4
130.14084	0.4
137.09718	1.3
143.03519	0.6
143.07091	3.3
145.05035	1.0
147.11757	0.4
154.01738	0.4
155.07124	0.8
156.51958	0.4
157.08630	0.6
161.04591	1.7
177.12924	0.6
181.12357	4.0
181.72264	0.4
183.10266	0.6
193.12340	0.6
195.13889	1.3
197.11838	2.1
199.09808	0.5
201.16486	1.1
205.12317	0.8
211.13510	0.5
219.17523	1.4
223.13365	2.6
235.08226	7.4
245.15454	1.1
249.18520	3.3
250.18912	0.6
253.09290	12.9
254.09500	0.5
255.23303	0.7
259.20132	0.4
263.16513	9.0
264.16833	0.5
275.20139	0.5
277.21710	100.0
278.19055	0.5
278.22046	8.7
281.17566	20.0
282.18060	1.8
291.19656	0.9
309.20682	3.6
326.84567	0.4
372.39639	0.5
474.17450	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4071
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	0.2
61.98829	100.0
62.98522	0.3
63.99254	0.7
78.95905	0.4
95.05015	0.4
101.02476	0.2
114.72012	0.2
115.22133	0.2
119.05004	0.2
136.54332	0.2
142.30934	0.2
147.04480	0.2
166.66655	0.2
184.68300	0.2
223.13373	1.0
244.41222	0.2
249.18639	0.8
253.09441	0.5
263.83600	0.2
265.14423	1.3
272.87808	0.2
277.21765	1.7
568.42987	0.2
677.82599	0.2
684.16565	0.2
692.60535	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4791
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.8
58.90961	0.6
59.01374	6.4
59.47769	0.6
61.98830	18.1
62.06296	0.7
69.03449	0.7
69.66948	0.6
71.01376	4.9
71.43274	0.9
71.43598	0.9
71.53941	0.7
73.02948	0.9
78.95892	1.7
80.91675	0.7
82.95435	0.9
83.01411	0.6
89.02441	2.3
101.01858	0.6
101.02433	3.8
111.08168	0.9
111.74236	0.6
113.02431	2.6
133.02916	0.9
135.04459	1.0
151.11264	1.0
152.99565	0.9
161.02435	3.2
161.04546	2.0
162.70631	0.7
167.10767	11.6
171.10246	1.3
179.03506	0.9
179.05612	0.7
179.14374	0.9
181.37880	0.7
195.10289	3.4
195.13882	7.7
203.18164	1.0
207.10274	0.9
211.13373	1.1
216.69615	0.8
219.84048	0.6
223.13286	5.5
225.11322	1.3
235.08246	2.1
247.17084	4.3
249.18582	2.9
253.09273	27.0
254.09634	1.2
255.23239	0.7
256.13300	1.0
265.18063	80.3
266.18469	5.7
275.20163	6.3
277.21716	3.0
291.19724	0.7
293.21210	100.0
294.21536	7.0
309.20752	3.5
317.82758	0.7
495.39020	0.8
501.27185	1.3
529.30237	1.4
541.39063	2.6
714.43011	2.1
715.44183	1.9
721.41180	1.1
777.39722	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4075
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	0.2
61.98831	100.0
62.52293	0.2
62.98558	0.3
63.99252	0.3
68.99522	0.2
71.51965	0.2
78.95914	0.3
88.19315	0.2
93.03432	0.2
93.86428	0.2
95.05045	0.5
96.96025	0.2
101.02446	0.2
135.04549	0.2
147.04506	0.4
209.11913	0.2
219.10254	0.3
223.13368	1.6
249.18527	1.3
252.97873	0.2
253.09323	0.5
263.09299	0.6
265.14502	1.8
277.21710	2.3
470.66821	0.2
777.40845	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	8.7
61.98829	100.0
70.37720	9.0
71.01363	5.2
78.95897	11.4
80.91676	4.4
84.04960	3.1
89.02409	3.0
101.02427	3.4
122.97573	3.1
152.99579	3.9
161.02431	7.3
171.10243	13.2
199.09770	8.4
207.10217	16.5
221.11725	6.5
225.11282	34.2
235.08105	8.5
239.12782	3.1
249.18550	8.9
253.09337	14.1
255.23291	14.8
265.10406	3.1
277.21722	72.2
278.22083	8.4
289.17978	8.2
291.19556	4.7
364.56113	3.3
443.18747	5.4
461.20255	13.6
513.30756	3.4
543.06036	3.1
695.40131	17.4
713.42126	4.5
721.41522	23.4
722.41687	4.1
727.99005	3.7
775.43994	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	775.5322
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04606	0.1
56.88073	0.1
61.98828	100.0
62.98529	0.2
70.24632	0.1
71.30810	0.2
74.50871	0.1
76.36958	0.1
96.46303	0.1
137.59555	0.1
138.95598	0.1
155.69035	0.1
182.50056	0.1
509.57901	0.1
538.77783	0.1
615.18823	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	774.3917
Annotation	Unknow
Peak:m/z	Relative Intensity
59.79265	0.1
61.98830	100.0
68.12442	0.1
116.92873	0.7
117.92897	0.3
118.92699	0.2
119.03493	0.2
119.94695	0.3
127.64725	0.1
248.83203	0.1
496.76352	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	774.3915
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
62.98532	0.2
69.41737	0.6
69.42159	0.3
71.01384	0.1
73.19590	0.1
78.95907	0.1
80.91718	0.1
121.87984	0.1
125.67378	0.1
150.91759	0.1
277.21906	0.4
423.25848	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	773.396
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02391	0.5
59.01384	4.5
61.98818	1.5
69.56217	1.8
69.56625	1.1
70.01929	0.6
71.01381	2.3
73.02936	0.8
85.02923	1.4
87.00876	0.7
89.02443	0.5
96.96017	1.0
98.20723	0.8
99.04466	0.6
99.59187	0.5
101.02448	1.4
103.30475	0.5
105.97567	0.5
107.05018	0.5
108.02109	0.6
113.02422	0.9
113.06087	0.7
119.05018	0.5
121.06607	0.5
133.02925	1.2
134.03711	1.1
134.79149	0.5
135.02998	0.6
135.04536	5.6
135.08118	1.3
136.05281	0.8
147.67824	0.5
149.06088	4.8
150.06862	46.3
151.07272	1.6
161.09685	1.2
162.06836	1.3
163.07634	10.3
164.08424	9.9
176.08438	1.1
177.01869	1.0
177.09248	0.8
178.02499	0.5
178.09987	2.1
179.10770	19.0
180.11148	0.6
187.09816	0.8
215.29054	0.5
282.10022	0.5
307.11801	0.7
321.10089	0.6
343.24704	1.7
345.22827	4.4
357.99683	0.5
446.30319	1.3
461.32742	0.9
464.31390	6.4
465.31955	1.0
478.32956	1.5
479.33734	7.6
480.34131	1.0
506.32831	1.2
507.33261	3.1
524.33478	2.5
525.34259	20.5
526.34814	3.3
627.34149	1.5
687.39038	2.0
729.40619	100.0
730.28052	1.0
730.40918	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3965
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.6
59.01385	4.0
61.98828	1.0
71.01390	3.1
73.02951	0.9
83.92917	0.6
85.02948	1.4
87.00878	1.1
88.98788	0.6
96.96062	0.9
101.02434	0.8
106.07796	0.7
109.06528	0.8
111.04521	0.8
113.02438	1.4
119.97768	0.6
123.08206	0.8
133.01407	1.2
133.02901	0.9
134.03731	1.2
135.04556	3.5
135.08147	1.4
136.05229	0.7
137.06078	0.9
143.10715	0.8
149.06081	5.4
150.06860	43.1
151.07260	1.9
161.09674	1.1
162.06912	0.9
163.07634	10.0
164.08418	8.1
165.08807	0.6
177.02003	1.4
177.09215	1.2
178.09961	2.4
179.10770	21.5
180.11037	1.9
220.07506	0.6
246.78946	0.8
280.59198	0.8
343.24911	1.7
345.22794	3.8
346.22900	0.9
357.43759	0.6
364.03873	0.7
464.31415	5.7
465.31772	1.6
478.32916	2.1
479.33841	6.3
506.32251	1.9
507.33078	1.8
524.33459	2.0
525.34302	17.0
526.34760	3.7
544.83075	0.7
609.33014	0.7
627.33667	1.5
642.61487	0.7
652.12311	0.7
687.39746	1.4
729.40631	100.0
730.27887	0.9
730.40961	18.7
773.41730	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	0.4
61.98830	22.6
62.98535	0.3
71.01399	0.5
78.95903	17.4
79.95737	3.7
94.92523	0.4
94.98122	0.3
96.96014	100.0
96.96935	22.2
97.95956	0.2
98.20636	0.6
116.92828	0.3
125.52917	0.2
126.50753	0.2
129.26291	0.2
134.89468	1.0
135.04538	0.4
145.49321	0.2
152.99620	0.2
161.02425	0.3
184.96391	0.2
194.07942	0.2
277.21701	0.4
286.59818	0.2
356.06317	0.2
397.13599	0.5
432.26898	0.2
435.08731	0.4
453.09494	0.7
713.31360	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.5576
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	72.8
59.54071	9.5
61.98831	68.6
63.60450	11.3
71.01392	42.7
74.83929	12.3
78.95912	22.0
87.12560	12.1
89.02418	53.4
90.39292	12.4
98.19887	29.2
101.02443	38.2
113.02450	17.6
119.03545	20.3
126.54335	11.3
156.60637	10.2
203.47704	10.7
225.22244	16.5
228.68498	11.1
255.23322	27.7
285.36783	11.5
367.24942	22.4
532.47302	31.2
712.53412	100.0
713.54614	28.7
773.49432	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	3.3
61.98829	100.0
71.01376	4.8
78.95898	3.3
96.70067	1.9
98.20645	5.0
116.92859	13.3
117.92866	5.4
179.10709	2.4
191.06911	2.3
197.11835	38.4
198.12106	2.0
218.06526	2.2
249.18591	7.7
250.18939	2.1
253.09137	2.3
277.21710	12.9
354.62332	2.0
495.44623	2.2
709.38055	67.7
710.38135	12.2
768.86993	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	772.376
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	3.0
61.98830	100.0
70.58598	4.6
71.01376	2.6
72.90194	1.2
78.95901	3.6
84.72616	1.3
86.42668	1.3
87.37540	1.2
87.64146	1.3
95.05022	1.9
97.06568	2.4
119.47968	1.9
123.08155	4.3
126.32291	1.3
133.24144	1.6
151.07625	2.0
169.08696	6.3
184.81783	1.4
197.62004	1.3
253.21738	3.0
255.23175	2.2
277.21707	13.9
279.80096	1.6
311.16696	3.9
325.18362	1.7
385.72516	1.6
396.44492	1.3
481.03049	1.4
709.37982	26.2
710.38312	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	772.3762
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34908	0.4
59.01366	1.0
61.98831	100.0
62.98518	0.4
63.72270	0.3
71.01385	0.6
71.36008	0.6
78.95905	10.7
79.95728	2.9
93.49027	0.3
94.92505	1.0
94.98077	2.4
95.97617	0.5
96.96014	68.5
96.96938	15.2
114.85661	0.3
133.87418	0.3
134.89467	0.9
135.04562	0.4
152.42323	0.3
161.02443	0.3
175.16444	0.3
191.82561	0.3
204.15321	0.3
262.49161	0.3
277.21805	0.4
432.46503	0.3
453.09195	0.6
455.74896	0.3
713.30042	0.4
783.77307	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.381
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.9
59.01389	4.2
70.65645	1.2
71.01385	2.6
73.02942	1.7
85.02971	1.0
87.00864	1.3
89.02422	0.7
96.96026	0.8
97.06578	1.0
99.04520	0.8
101.02450	1.1
111.04530	0.7
113.02472	1.0
113.88075	0.5
123.08134	2.1
132.99867	0.5
135.04536	0.6
136.05287	0.6
141.09180	0.6
149.06088	2.4
149.07115	0.5
150.06859	43.2
151.07285	1.2
157.08611	0.7
161.09698	0.9
162.06859	1.2
163.07635	7.2
164.08409	7.2
165.09032	0.5
176.08424	0.7
177.09120	0.8
178.09973	2.3
179.10765	18.5
180.11076	0.6
187.09708	0.5
229.10796	1.2
237.67123	0.6
320.19888	1.9
335.22275	1.9
341.23279	1.2
343.21375	4.4
364.22479	2.9
413.25406	2.0
441.30054	1.0
444.28683	1.1
459.30939	1.0
462.29709	2.0
463.30219	0.7
476.31287	1.0
477.32416	4.2
504.30991	1.6
505.31467	1.4
522.31805	1.9
523.32709	17.6
524.33051	2.4
627.61407	0.6
685.38275	2.1
727.39050	100.0
728.39404	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	771.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.5
61.06555	0.2
61.98830	13.9
73.02944	4.4
74.66932	0.2
75.00859	0.4
78.95889	0.4
80.87368	0.2
91.81821	0.2
98.20658	0.6
99.00864	0.4
99.92584	11.6
100.92597	0.5
100.93775	0.2
114.93412	0.5
116.92863	100.0
116.97246	2.1
117.01096	0.4
117.01942	7.0
117.92872	4.6
143.32437	0.2
253.21698	0.4
255.23419	0.3
265.69730	0.3
277.21692	0.4
397.13223	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62366	0.2
59.01373	0.6
61.98534	0.3
61.98829	3.5
70.52405	0.4
70.52757	0.2
71.01381	0.3
73.02946	5.6
75.00872	0.5
78.95910	0.2
87.00906	0.2
96.96004	0.2
99.00880	1.2
99.92582	10.7
100.92581	0.4
114.93400	0.5
115.00400	0.3
116.92863	100.0
116.97222	1.2
117.01938	10.2
117.92870	4.0
219.10443	0.2
255.23259	0.1
277.21735	0.4
313.19305	0.2
397.13681	0.3
415.14706	0.2
642.36023	0.2
771.40564	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.3
59.01384	16.9
61.98832	8.2
69.03456	6.2
69.90697	5.4
71.01373	7.2
71.05020	1.9
73.02930	1.2
83.05044	1.1
85.02950	1.8
89.02451	2.9
89.85654	1.0
95.01383	1.3
95.05016	1.0
96.96009	2.5
97.06603	1.2
98.20575	1.6
99.00858	1.2
101.02454	5.4
102.80611	1.0
109.06536	1.0
111.08167	5.1
113.02451	2.0
123.08157	2.2
125.09748	3.6
130.85753	1.1
133.52673	1.0
135.04507	1.2
151.11278	2.4
161.04515	1.2
161.09723	3.5
169.12352	3.1
171.10239	3.3
179.10768	8.2
197.11821	89.6
198.12163	4.3
201.01895	1.1
207.10318	1.8
209.11761	2.3
211.13406	2.4
223.09659	2.2
241.10805	3.2
253.09250	4.9
286.62723	1.2
291.19574	3.6
309.20776	7.2
364.19565	1.3
457.34134	1.4
459.18774	1.2
477.19870	2.2
497.19510	1.3
501.71893	1.2
521.16705	1.6
587.51581	1.1
614.20972	1.1
769.40106	100.0
770.26825	1.5
770.40308	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	769.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45890	0.9
57.02134	1.0
59.01112	2.0
59.01378	21.0
61.98835	14.3
69.03464	5.5
70.74884	1.9
70.75219	2.3
71.01386	5.9
71.05007	2.9
73.02957	1.4
78.95892	2.0
81.03444	1.4
83.05019	1.1
84.92616	1.0
85.02931	2.1
87.00881	1.3
89.02436	2.8
96.96011	1.8
97.02954	3.0
97.06626	1.1
101.02432	4.5
111.08139	3.7
113.02445	1.4
119.03499	1.0
123.08167	1.3
125.09687	2.2
137.09706	1.8
151.11243	2.5
153.12827	1.8
161.04552	1.4
161.09708	3.7
167.04134	1.1
169.12352	2.2
171.10214	3.8
179.10768	7.3
181.89398	0.9
197.11836	73.9
198.12109	2.5
209.11835	2.7
211.13483	2.5
223.09644	1.8
225.11314	2.0
241.10806	3.6
253.09227	3.7
291.19669	5.1
304.71939	1.2
309.20715	3.8
388.36868	1.3
477.19821	1.3
733.74500	1.1
769.40112	100.0
770.40527	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86939	0.7
54.87215	0.7
57.03437	0.7
59.01378	6.1
61.89267	1.0
61.98825	1.6
71.01403	3.7
71.52117	0.6
73.02930	1.9
76.11522	0.8
78.74632	0.7
85.02941	1.2
89.02446	1.0
96.96001	1.6
99.04549	0.9
101.02445	1.0
107.05000	1.6
108.67535	0.7
111.08167	1.7
121.02972	0.8
123.04482	0.9
123.08130	1.6
124.01518	0.8
133.01390	0.9
133.02959	0.9
135.04533	13.2
135.08127	1.8
136.04892	0.8
137.06039	1.0
139.07660	1.2
149.02466	0.8
149.06087	8.2
150.06865	92.4
151.07175	5.5
154.32646	0.8
158.00423	0.8
161.09726	2.6
162.06883	4.9
163.07646	22.0
163.68042	0.7
164.08424	18.4
165.08791	1.1
176.08476	1.6
177.09244	8.9
178.10020	6.3
179.10776	45.9
180.11084	2.3
189.62930	0.8
191.12973	0.8
256.79111	0.8
277.10770	2.9
302.19077	0.8
306.21857	1.0
315.88229	0.8
320.19833	6.1
321.09793	1.3
335.22363	2.5
364.22601	8.4
365.22379	1.1
439.28909	0.9
441.30115	1.5
444.28531	1.8
458.29770	0.8
459.31097	3.9
462.29993	6.7
476.31421	12.8
477.32190	100.0
478.32617	13.0
563.33954	0.9
587.00885	0.8
621.36481	2.0
683.36145	1.4
707.36804	1.4
725.37543	61.3
726.37982	12.2
769.37988	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.6
59.01379	22.8
71.01382	18.3
72.99302	2.5
73.02946	3.3
73.48328	1.3
83.01381	4.1
85.02950	6.7
87.00859	3.7
89.02449	5.3
101.02443	10.4
113.02445	4.2
115.00352	8.3
119.03490	1.7
119.05002	5.2
121.03003	3.4
133.01439	18.4
134.01773	1.6
134.03709	1.6
135.03033	1.6
135.04524	7.0
158.03574	1.6
161.02434	2.4
163.03970	5.8
168.45676	1.5
178.04980	1.5
179.07077	2.3
187.07678	2.4
239.43721	1.5
249.11357	2.4
250.11755	2.0
255.06712	1.8
265.08774	1.5
267.06461	3.2
268.07349	2.1
269.08047	3.5
270.08994	1.5
281.08234	7.6
282.08908	2.8
283.09744	5.9
295.09857	3.2
299.09189	3.7
311.09180	2.5
314.08078	1.9
314.11478	7.9
315.12292	3.0
326.11584	8.3
327.12302	5.9
329.13876	13.0
341.14044	9.4
343.11765	2.3
355.11801	4.5
358.09076	2.2
379.60632	1.5
386.50861	1.6
467.70804	1.5
473.18643	3.0
476.16870	13.0
477.17032	2.5
485.17667	7.3
488.16943	7.0
489.17215	1.9
491.19211	100.0
492.19614	12.2
503.19193	89.8
504.19843	11.9
521.20367	24.6
522.20703	1.9
533.20325	23.5
545.20282	20.4
546.20514	2.4
563.21191	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	769.256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.3
58.00592	1.1
59.01380	18.2
64.24825	0.9
71.01380	10.8
71.28697	2.7
72.99320	1.5
73.02953	3.1
75.00880	1.6
83.01400	2.4
85.02953	6.0
87.00874	2.3
89.02437	3.0
99.00874	1.4
99.19170	0.9
101.02440	7.5
109.78407	0.9
111.00899	0.9
112.01609	1.0
113.02463	4.1
121.02951	3.8
133.01390	1.6
135.04472	1.7
144.62538	1.0
159.04463	1.9
246.63483	1.1
267.06738	1.1
268.07422	2.9
269.08261	5.1
270.08868	1.5
280.07150	1.1
281.08136	7.3
282.08920	2.5
283.09772	4.4
293.08182	1.6
295.09668	3.2
296.10349	1.4
299.09265	2.6
311.09152	3.0
314.08270	1.8
314.11526	5.7
315.12360	3.4
326.11658	8.5
327.12347	5.6
329.10284	1.7
329.13879	11.8
340.09637	1.1
341.10287	1.4
341.13919	8.9
343.11990	1.2
355.11847	3.1
458.15668	1.1
473.13559	2.1
473.18839	1.8
476.16885	10.5
477.16998	2.1
485.18018	4.2
488.16852	6.4
491.19223	100.0
492.19629	12.0
503.19217	79.2
504.19617	10.1
521.20258	23.5
522.20361	2.6
533.20276	10.8
534.20758	1.6
538.21906	1.1
545.20227	14.6
546.20618	1.2
563.21320	3.9
723.06091	1.1
790.65033	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.1
63.02418	0.8
65.00309	1.0
69.22777	8.0
80.77400	0.8
85.02953	1.5
89.02420	1.2
95.01365	1.2
96.95992	1.0
98.70454	0.8
101.02437	1.9
107.01379	3.4
107.04986	1.7
113.02458	0.9
132.02138	2.8
133.02922	0.9
134.03728	2.6
135.00861	1.8
135.04529	12.6
136.04855	2.5
151.00397	5.5
151.04036	1.3
159.04472	1.3
160.01653	5.0
161.02449	3.5
162.74672	0.8
163.00371	1.1
164.01129	1.2
175.03923	4.2
178.99878	1.5
179.03581	1.0
179.10768	4.0
183.04482	2.0
184.20705	0.8
187.03926	1.2
193.05106	0.9
199.03854	0.9
200.04942	0.8
207.10263	8.7
211.03973	2.4
213.05527	1.5
227.03484	43.2
228.04007	2.2
229.05045	2.9
239.03508	1.6
240.04175	0.8
255.02974	79.4
256.03571	9.9
257.04556	4.4
266.87006	0.9
277.10843	1.5
278.11023	1.5
279.12292	1.6
283.02505	6.2
284.03241	100.0
285.03937	30.0
286.04193	2.0
298.04712	1.0
309.03992	1.2
321.09576	0.9
322.10004	1.0
341.10187	2.2
342.10635	1.5
359.27975	0.9
380.44766	0.8
413.08936	3.8
431.08875	0.9
432.50085	0.9
503.32614	1.0
575.13818	1.7
593.15045	39.1
593.24530	2.0
594.15436	5.0
607.16504	5.6
665.36920	5.9
683.38757	3.7
725.39587	2.5
769.19794	50.2
770.19946	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	767.4921
Annotation	Unknow
Peak:m/z	Relative Intensity
58.50193	0.1
59.01363	0.6
60.99306	15.5
64.76553	0.2
69.15236	0.8
69.15663	0.9
69.95182	0.2
71.01382	0.5
71.90517	0.2
73.02918	0.2
87.00869	0.4
87.34901	0.2
88.00389	1.0
88.98804	100.0
89.02435	4.3
89.99136	0.6
99.63708	0.2
109.56604	0.2
113.02426	0.2
133.01462	0.2
135.04552	0.2
161.02438	0.2
283.18231	0.2
388.16559	0.2
677.49982	0.8
678.50073	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.4906
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.8
61.98831	100.0
70.92928	0.8
78.44046	0.3
78.95917	1.1
80.96525	0.6
87.00883	0.4
101.43304	0.3
106.43082	0.3
133.02957	5.0
134.03787	2.0
135.04524	12.2
136.04839	0.5
137.02487	1.4
139.03981	0.5
152.99655	0.4
161.02451	17.0
162.02832	0.8
178.02704	0.7
179.03508	5.1
183.01257	0.6
184.34898	0.4
197.11855	0.6
200.10603	0.3
209.11919	0.5
216.77373	0.4
231.38907	0.3
242.99525	0.4
253.09331	0.5
253.21725	0.7
255.23332	0.6
277.21802	1.5
287.22281	0.9
303.23431	0.7
311.16876	4.7
341.20474	0.4
367.10840	0.3
431.24179	2.0
432.24774	0.4
449.25366	1.6
552.59589	0.4
705.49451	43.5
706.49817	9.8
737.41302	0.7
768.37921	0.5
769.38538	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.8
57.03428	1.4
58.00588	1.2
58.96917	0.7
59.01380	26.2
61.98823	1.6
63.50183	0.8
71.01385	16.5
72.99303	0.8
73.02950	4.5
83.01384	2.9
85.02946	5.5
87.00863	1.7
89.02455	6.1
95.01389	1.5
96.78432	0.8
99.00860	1.8
101.02441	12.5
103.78667	0.7
111.08160	2.9
113.02453	7.2
119.03501	3.1
125.02414	1.4
127.11281	0.8
128.52974	0.7
133.80368	0.8
135.04549	5.6
150.05595	0.9
161.04613	1.3
171.10263	2.3
199.09569	0.7
200.07114	0.8
211.16887	1.0
229.18039	1.0
231.09932	0.9
232.88567	0.8
240.85228	0.9
262.70941	0.7
277.10782	1.0
303.47452	0.8
339.25409	7.5
340.25781	1.0
357.26581	5.5
359.11569	0.8
370.79572	0.8
374.44489	0.8
381.68283	0.8
410.17401	0.9
421.87634	0.8
454.19757	1.5
483.29724	1.7
484.93875	0.8
501.30664	13.0
502.31003	2.1
519.31738	100.0
520.32104	15.0
543.31738	1.5
561.32745	10.8
562.33173	1.9
573.23541	1.1
663.35834	1.5
681.37061	3.0
723.38135	38.3
724.38300	8.3
768.44220	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.2
57.03439	1.1
58.00589	2.1
59.01381	100.0
60.01725	1.2
61.99092	0.9
69.03460	1.3
71.01380	48.7
72.01735	1.1
72.99328	2.2
73.02948	38.1
73.03362	2.1
74.37833	0.8
75.00896	1.1
83.01391	10.9
85.02963	13.4
86.03300	0.9
87.00880	2.1
89.02448	27.9
91.76115	0.9
95.01407	5.8
97.02955	1.9
99.00903	2.3
101.02442	45.3
102.02848	1.0
103.59550	0.9
113.02451	40.8
115.00387	2.6
119.03508	16.0
119.04983	1.8
125.02452	4.3
131.03505	4.1
133.01428	3.9
133.03008	1.9
135.04539	3.3
136.17503	0.9
137.09219	0.9
143.03464	9.8
149.04558	4.9
150.03181	1.3
151.04071	1.1
155.03485	2.1
161.04555	18.8
179.03384	1.3
179.04034	1.4
179.05603	16.1
179.07036	1.8
203.05582	2.5
221.06613	2.6
261.35019	0.9
304.71432	0.9
326.10355	1.9
397.22247	2.2
415.23282	1.4
457.24310	1.1
544.99396	1.1
559.27429	2.8
577.28442	7.0
595.29633	2.5
619.29840	3.1
637.30768	5.7
638.30908	1.2
679.31622	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.4
57.03423	1.3
58.00585	4.6
58.00855	1.1
58.46596	1.0
59.01381	100.0
66.53474	1.1
70.10743	2.6
70.11158	3.2
71.01380	57.6
72.99300	4.0
73.02959	9.6
77.72128	1.0
81.35038	1.2
83.01390	2.8
85.02952	10.6
86.47453	1.0
87.00858	3.2
89.02444	74.7
90.02744	1.1
95.01382	4.8
101.02444	33.9
108.02180	6.1
113.02452	30.4
113.03246	1.3
119.03501	29.4
123.04514	8.0
131.03479	5.1
136.01640	9.1
143.03474	10.6
149.04538	6.6
151.04001	15.5
160.05183	1.9
161.04541	21.0
179.05611	50.5
180.05977	2.1
187.03990	2.6
188.04758	2.8
203.07173	8.2
221.06622	4.4
251.06693	1.7
263.07065	1.5
279.06674	7.0
291.06589	3.1
294.08850	3.4
309.11282	15.5
310.11435	1.8
324.09772	1.5
339.12363	33.2
340.12582	4.1
357.13452	19.2
358.13623	1.6
381.13467	2.9
438.90982	1.3
483.17081	1.3
489.17758	9.1
501.17691	35.2
502.18036	6.1
519.18634	2.1
531.18610	2.8
543.18774	13.2
544.18921	2.0
617.35187	1.1
694.73822	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.4745
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
65.59035	0.3
70.53251	0.8
70.53582	0.3
71.01381	0.3
75.10999	0.3
80.96530	0.6
92.66461	0.3
97.71492	0.3
103.48080	0.3
107.05043	0.5
109.86124	0.3
133.02977	5.2
134.03783	2.3
135.04526	12.4
136.04861	0.4
137.02463	1.6
152.99638	0.3
161.02443	17.6
162.02821	0.8
177.45404	0.3
178.02788	0.5
179.03508	6.3
201.27078	0.3
203.11105	0.3
245.84106	0.3
255.23523	0.4
277.21494	0.8
287.22345	1.2
336.37241	0.3
431.24222	2.5
449.25687	1.4
703.47839	40.9
704.48267	8.8
704.59534	0.6
767.38904	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49841	0.3
59.01369	1.3
61.35611	0.3
68.43772	0.3
71.01378	0.6
78.95883	0.4
91.05536	3.8
93.03456	1.3
97.06586	0.5
107.05032	14.1
108.05346	0.4
108.40405	0.3
113.75311	0.4
117.03452	0.4
119.05042	0.4
121.02943	1.5
124.01665	2.5
125.02470	0.7
130.07339	0.3
131.03699	0.4
133.01501	0.5
133.02779	0.4
133.52087	0.3
134.03775	1.0
135.04527	100.0
136.04794	4.2
140.13271	0.3
145.02974	1.0
150.03258	1.8
151.04005	5.1
161.02458	1.6
162.03279	2.6
163.03844	0.4
178.68297	0.4
180.04350	0.5
195.06654	0.6
237.75488	0.3
238.06512	0.4
254.05940	0.5
259.09775	0.7
263.07138	0.5
265.08786	0.6
267.06699	0.9
269.08212	0.5
277.10797	24.9
278.11209	1.5
281.08179	7.8
281.11060	0.6
282.08920	2.3
296.07007	0.9
297.11270	0.5
321.09753	14.9
322.10172	1.2
326.07864	2.1
341.10294	26.1
342.10690	1.9
401.18298	0.7
750.67804	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.41
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01359	1.4
61.98827	10.9
63.96241	1.2
69.03447	0.8
69.49667	3.2
69.50075	1.9
71.01382	7.1
73.02925	1.4
78.95924	4.0
78.98598	6.6
79.95733	14.7
80.96518	70.3
82.96082	1.5
87.00858	2.3
94.98075	14.9
96.95992	1.3
97.02955	1.0
98.19874	0.9
101.02442	2.6
106.98070	2.8
116.92867	0.8
122.97577	2.7
125.02490	3.8
127.04019	1.6
130.06212	0.9
134.97563	6.0
136.99164	1.1
138.86707	0.8
148.99147	6.1
152.98589	4.9
152.99617	2.2
164.98624	13.5
188.13809	0.9
206.99675	2.2
209.11804	1.6
225.00735	22.5
255.23299	4.7
383.36676	0.8
423.25214	1.8
509.16544	1.1
531.40698	0.9
537.27490	2.2
595.87305	0.8
633.33026	0.9
765.40930	100.0
766.41315	18.7
786.46185	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.41
Annotation	Unknow
Peak:m/z	Relative Intensity
59.49512	1.1
60.49939	1.1
61.98834	14.6
65.01694	1.2
70.25471	4.1
70.82692	1.1
71.01380	7.8
73.02966	1.8
78.95900	5.8
78.98584	5.4
79.95731	11.4
80.96516	68.3
82.96110	2.2
87.00886	2.1
94.98082	18.4
96.96008	1.2
98.20556	1.6
101.02423	3.5
106.98066	4.4
122.97576	2.7
125.02403	2.6
127.03973	1.2
134.97578	4.8
135.04532	1.9
136.99080	2.6
148.99149	6.7
152.98596	5.4
152.99658	2.2
153.93903	1.3
164.98605	12.4
206.99690	1.4
209.11690	1.7
218.00339	1.1
224.98701	1.6
225.00751	20.9
226.00934	2.0
255.23178	2.5
270.01511	1.3
307.47189	1.2
327.77338	1.3
444.37091	1.1
474.80197	1.7
509.16965	2.3
541.51343	1.2
727.47778	1.6
729.47150	1.4
765.40839	100.0
766.41132	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	765.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34085	1.7
57.03443	2.2
58.98851	1.6
59.01379	77.8
60.60784	1.5
61.98827	2.4
69.03452	2.3
70.15867	4.6
71.01008	3.2
71.01380	55.0
72.99303	3.6
73.02937	22.8
75.29543	1.8
80.04256	1.8
83.01390	7.4
85.02958	20.9
87.00853	4.3
89.02437	20.8
95.01382	5.5
97.06572	2.8
98.19970	1.9
99.00902	3.1
101.02441	32.7
111.00896	2.3
113.02453	30.6
115.00379	2.2
119.03514	8.4
121.02957	2.3
123.04501	1.8
125.02476	2.5
133.01434	3.5
135.04529	23.5
136.01665	11.1
139.07565	1.8
143.03481	6.2
149.04498	2.4
150.03192	1.9
151.04015	15.4
159.04442	3.7
161.04533	8.1
161.05910	2.7
176.04720	2.8
177.09164	7.3
187.07584	4.5
188.58247	1.9
189.09207	8.0
203.07184	3.0
204.07915	2.8
205.08629	7.4
215.10736	8.8
217.08820	1.8
233.11835	18.9
277.10812	65.9
278.11102	4.2
309.11346	5.4
321.09879	8.1
339.12253	4.9
357.13489	22.1
362.77570	1.9
448.69174	1.9
499.29056	4.7
517.30078	6.2
543.18860	3.6
573.29218	2.8
623.30206	2.0
625.32269	2.6
643.33044	7.8
661.34375	100.0
662.34503	14.5
679.35394	48.6
680.35925	7.4
721.36200	10.7
722.36938	3.0
749.64368	1.9
779.76288	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	765.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46084	0.2
56.62211	0.2
59.01361	0.6
60.99307	17.3
61.98822	1.1
68.99541	0.4
71.01383	0.8
71.31934	0.5
87.00871	1.1
88.00405	3.0
88.98806	100.0
89.02443	13.2
89.03012	0.4
89.99142	0.8
92.02254	0.2
101.02440	0.3
112.98550	0.3
113.02449	0.4
120.72027	0.2
126.90598	0.3
141.51965	0.2
156.64700	0.3
171.10284	2.3
199.09805	0.7
200.94989	0.2
201.11380	0.3
207.10300	0.6
209.11783	0.3
210.30528	0.2
225.11334	1.7
234.79129	0.3
235.08223	0.4
244.08437	0.2
249.18594	2.3
253.09381	0.6
277.21732	0.6
389.31110	0.2
397.13489	1.0
415.14490	0.4
461.20505	0.3
533.16949	0.3
667.37018	0.8
693.39032	0.6
765.40991	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	0.6
60.99305	16.9
61.98814	0.8
69.32320	2.0
71.01360	0.3
75.60077	0.2
87.00883	1.2
88.00407	3.3
88.98804	100.0
89.02441	14.6
89.99142	0.9
101.02460	0.2
107.92200	0.2
120.20203	0.3
137.72232	0.3
138.15640	0.2
209.11896	0.3
230.45303	0.3
267.37384	0.3
277.21713	0.6
397.13525	1.1
415.14508	0.4
516.46375	0.2
720.03809	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.4589
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15609	0.3
60.18049	0.3
61.98830	100.0
62.98524	0.4
63.99276	0.3
65.34958	0.3
66.07601	0.3
69.28937	0.4
70.08231	1.4
74.14780	0.3
78.95930	0.8
80.96500	0.6
92.48385	0.3
93.46812	0.3
98.20589	0.4
133.02966	6.3
134.03764	2.1
135.04529	13.3
136.04832	0.6
137.02470	1.1
161.02443	21.9
162.02776	1.3
178.02718	0.5
179.03511	6.0
191.32298	0.3
275.65475	0.4
285.20789	0.5
429.22662	2.4
431.24316	1.1
447.23798	1.1
449.25375	0.8
701.46295	43.5
702.46552	9.2
765.39392	0.5
787.22186	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	10.8
61.98832	64.8
71.01377	9.9
78.95907	9.5
79.95789	5.4
87.00876	5.5
101.48238	5.3
105.01940	11.5
135.04517	8.5
153.64207	5.2
183.01225	28.6
207.10309	9.6
209.11789	36.7
225.11365	6.3
227.12833	6.1
229.11836	6.3
249.18556	15.8
253.09137	6.4
277.21738	60.9
278.21967	7.8
311.16837	100.0
356.93945	5.3
726.30353	5.8
763.40887	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.1
57.03460	1.0
59.01375	8.9
61.98833	31.0
67.01900	0.7
69.03459	5.0
71.01382	5.5
71.05036	2.2
73.02940	1.1
78.95932	1.6
80.96534	1.3
83.05043	1.0
85.02963	1.6
86.64170	0.6
87.00881	0.7
89.02444	3.0
95.01450	0.8
97.02980	0.7
97.06590	0.7
98.19868	1.4
99.00887	0.8
101.02438	3.9
109.06631	0.6
113.02464	1.8
117.63663	0.6
119.03485	1.0
120.81458	0.6
123.08148	2.0
125.09723	2.5
133.02983	1.1
135.04538	1.7
151.11281	1.8
152.99612	1.0
153.12839	1.8
161.02478	2.4
161.04594	1.5
161.09717	3.2
169.12285	0.8
177.09111	0.7
177.11470	0.6
179.10799	7.6
195.10277	1.4
197.11836	100.0
198.12160	5.8
206.41251	0.7
223.09828	1.7
231.10043	0.9
241.10851	4.9
253.09290	4.0
255.23195	1.0
277.21686	5.0
278.22034	0.8
303.23297	12.4
304.23752	1.1
379.74283	0.6
459.18854	1.4
477.19751	4.0
700.44952	5.3
701.46106	2.3
745.41736	0.8
763.42725	100.0
764.43066	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	763.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02973	5.3
59.01381	7.9
61.98840	0.7
67.04234	0.5
70.02973	4.4
71.01377	1.2
71.52560	0.5
72.00912	1.7
72.04536	1.1
73.02963	0.5
74.02475	31.8
89.02467	0.4
98.02473	8.0
101.02434	1.2
115.00392	1.0
116.03547	7.9
116.05054	12.9
117.05379	0.8
117.65873	0.4
130.06660	0.9
132.83276	0.4
133.01428	0.5
133.55005	0.5
133.56001	0.5
135.04538	0.5
142.06622	3.0
159.09258	2.9
161.04665	0.6
169.50275	0.4
183.09305	0.6
186.05591	0.8
200.57417	0.4
201.10323	3.7
203.08257	37.0
204.08548	2.2
245.09294	100.0
246.09601	5.0
249.87164	0.5
306.65018	0.4
369.19141	0.7
387.20236	1.4
429.21231	0.9
440.68674	0.5
623.28375	0.4
694.28412	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.4433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04795	0.3
61.98831	100.0
62.98536	0.3
65.55462	0.3
72.73938	0.3
85.34027	0.3
98.19823	0.5
122.95738	0.3
132.02147	0.5
133.02963	6.6
134.03760	2.5
135.04532	13.8
137.02460	1.8
139.03981	0.4
161.02438	22.9
162.02776	0.9
178.02695	0.6
179.03493	6.6
179.78677	0.3
180.03900	0.4
285.20612	1.5
303.53244	0.3
348.87250	0.3
364.09195	0.3
415.72733	0.4
429.22824	2.8
447.23880	1.6
676.20801	0.3
699.44702	43.1
700.44958	9.3
777.13947	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.4433
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
64.53294	0.3
66.96877	0.3
70.98316	0.9
133.02951	7.0
134.03754	2.2
135.04529	15.5
136.04805	0.4
136.34908	0.3
137.02467	1.5
139.04019	0.4
156.79277	0.3
161.02440	22.2
162.02786	0.8
178.02744	0.4
179.03494	5.7
285.20840	1.5
393.61426	0.3
429.22852	3.4
447.23700	1.7
699.44727	42.6
700.45062	9.1
704.45795	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.4432
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
65.82642	0.2
70.07629	0.8
77.62128	0.2
80.96519	0.3
83.03423	0.2
98.20614	0.2
133.02948	1.8
134.03738	0.8
135.04527	4.5
137.02484	0.4
160.62810	0.2
161.02446	6.2
162.02896	0.3
178.02701	0.3
179.03445	1.8
218.56963	0.2
285.20850	0.5
382.31940	0.2
429.22955	1.0
447.24298	0.4
461.40683	0.3
461.47607	0.3
499.84802	0.3
518.43372	0.2
580.23914	0.3
671.30255	0.3
699.44720	13.7
700.45380	3.3
763.39630	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87829	0.3
61.98829	100.0
66.50872	0.3
66.67663	0.3
98.19865	0.8
105.26228	0.4
133.02957	6.9
134.03767	2.9
135.04529	15.2
136.04846	0.5
136.34142	0.3
137.02457	1.1
139.04031	0.8
143.64604	0.3
161.02438	24.5
162.02834	1.0
167.44609	0.3
178.02823	0.6
179.03488	6.9
180.03821	0.4
211.07402	0.4
224.90070	0.4
285.20795	1.5
360.71774	0.4
429.22684	3.1
447.23758	1.8
699.44696	44.4
700.45020	10.2
700.56830	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.2
61.98832	100.0
62.98535	0.2
67.24541	0.2
71.01385	0.5
71.43029	0.2
78.95885	0.7
78.98603	0.3
79.95731	0.7
80.67396	0.2
80.96517	3.5
85.02919	0.2
94.98079	0.7
97.05315	0.1
106.98096	0.2
125.02405	0.1
125.90089	0.1
133.02960	0.6
134.97612	0.3
135.04535	0.9
148.99173	0.3
152.98589	0.3
152.99687	0.3
161.02434	1.5
164.98659	0.7
179.03596	0.5
188.26472	0.2
206.99756	0.2
225.00688	1.3
225.34192	0.1
241.01259	0.2
249.18614	0.4
250.18990	0.2
253.09221	0.1
255.23300	0.4
258.67514	0.2
265.18155	0.2
277.21848	0.5
278.22134	0.4
293.21399	0.3
294.21747	0.3
304.55304	0.1
357.93930	0.1
416.65463	0.1
429.23120	0.2
501.43109	0.2
633.77698	0.1
699.44513	3.2
700.45764	0.6
762.39374	0.3
763.39331	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	761.4846
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.4
57.03421	0.3
59.01110	0.4
59.01377	6.6
61.98830	34.6
67.46615	0.3
69.03452	0.4
71.01382	4.3
72.99302	0.4
73.02920	0.7
78.95893	1.0
83.01402	0.3
83.05010	0.6
85.02933	0.9
87.00872	0.7
89.02444	2.7
98.20660	0.9
101.02442	4.0
102.84064	0.3
104.57494	0.2
109.06475	0.3
111.08132	0.5
113.02455	1.8
113.09673	0.4
119.03461	0.9
133.02954	0.5
135.04520	1.9
139.96904	0.3
143.03453	0.3
156.46684	0.3
159.12456	0.3
161.02467	2.5
161.04512	1.6
167.10765	0.4
179.03473	0.9
179.05637	0.8
179.14388	0.7
181.12431	0.4
195.13901	7.8
196.14294	0.6
205.12318	0.6
205.15984	0.6
205.19568	0.7
211.13367	0.5
223.13370	5.5
224.13853	0.3
228.13658	0.4
231.17540	0.6
231.21239	0.6
235.08200	3.3
247.17000	0.8
249.18581	100.0
250.18939	7.3
253.09280	17.0
254.09662	0.7
255.23247	1.7
256.13138	1.0
265.18076	1.2
275.20135	12.9
276.20517	1.0
277.21722	4.2
293.21222	87.4
294.21518	7.7
350.28503	0.3
514.97681	0.3
525.39526	0.4
566.31525	0.3
699.44727	4.3
712.37616	0.3
761.39014	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.415
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43881	0.5
59.01379	1.1
61.98821	4.1
63.96243	1.5
69.03456	1.1
69.59211	0.9
69.59600	3.3
71.01383	7.7
73.02937	1.5
75.08980	0.5
78.95907	6.4
78.98598	6.5
79.95734	13.8
80.96517	74.2
85.02953	3.5
87.00870	2.9
94.98084	17.7
96.96020	1.6
97.02962	2.5
99.00903	0.7
101.02452	2.6
106.98083	3.1
110.98542	1.2
122.97578	4.1
125.02440	2.8
127.04016	0.9
134.97591	5.9
136.99136	1.7
148.99149	6.8
152.98604	5.7
152.99644	1.5
162.07411	0.5
164.98625	13.1
206.99651	2.7
223.13371	0.9
225.00728	19.4
226.01073	1.0
255.23347	5.9
277.21716	1.7
303.23251	0.7
315.79105	0.6
370.84506	0.7
428.59503	0.6
466.98129	0.6
505.17435	2.4
537.27106	1.5
761.41412	100.0
762.41827	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3876
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	8.5
61.98832	100.0
65.34921	3.3
69.61948	3.2
70.79582	3.6
71.52919	4.2
78.95895	16.2
90.66575	3.7
101.17128	3.4
135.04556	4.3
152.99596	7.5
161.02437	4.4
168.90550	4.2
207.10318	4.1
249.18636	10.5
277.21741	11.7
278.21976	4.4
359.29752	3.7
416.66794	3.9
690.86658	4.5
699.45306	4.3
761.38995	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	761.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22535	2.3
57.02330	2.4
59.01379	36.5
61.98830	39.8
65.48016	2.4
69.26626	2.7
70.61647	2.9
70.66764	4.7
70.67088	3.8
71.01379	31.0
73.02944	4.5
78.32594	2.4
78.95899	6.8
83.13605	2.5
85.02948	7.1
87.00871	10.2
89.02448	26.1
96.95966	3.2
97.02898	3.0
101.02442	27.0
113.02464	9.8
119.03479	7.7
125.02432	10.7
135.04480	3.2
143.03394	4.5
152.99596	2.9
161.02438	4.2
161.04576	5.4
179.05545	5.5
180.67117	3.0
207.10330	4.4
222.39633	2.9
225.11462	3.4
235.08215	11.8
253.09279	3.2
272.70160	2.7
277.21851	4.5
287.07660	3.3
303.19754	5.0
303.23276	100.0
304.23560	7.7
305.08594	5.4
397.13477	99.3
398.13873	7.5
415.14523	41.9
416.14948	3.9
743.39233	3.6
761.39917	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01352	4.8
61.98829	100.0
71.01379	6.9
71.31383	7.9
78.95918	8.3
104.16821	4.5
109.06561	6.3
135.08142	5.8
152.24706	4.5
179.07166	22.6
181.12564	4.9
197.11768	7.5
206.57257	5.5
207.10320	22.4
209.11943	5.9
225.11351	7.8
253.09277	15.1
272.29578	4.5
281.17572	15.5
291.19647	9.2
292.85559	4.6
295.51413	4.9
308.56970	4.8
309.20651	34.5
373.49341	4.6
461.20389	7.6
725.37567	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	1.0
56.09002	0.7
58.00591	1.5
59.01380	100.0
60.01716	2.0
61.98832	1.6
69.81012	4.7
71.01385	37.6
72.99297	2.8
73.02949	22.9
75.00880	1.0
79.63110	0.8
83.01385	6.4
85.02944	9.4
86.39603	0.8
87.00875	2.6
89.02446	18.9
95.01383	3.7
96.95986	1.1
97.02955	1.6
99.00887	0.8
101.02439	25.0
103.88614	0.8
107.05048	1.0
113.02453	20.1
115.00373	0.9
119.03493	7.5
125.02446	3.5
131.03464	1.9
133.01402	1.4
133.02953	2.2
135.04518	4.9
136.05307	4.8
137.54089	0.8
143.03511	3.7
149.04597	2.1
149.06079	1.5
150.06830	1.6
161.04539	7.1
165.09169	3.0
177.01994	1.2
177.04239	0.9
179.05592	3.1
335.24493	0.8
465.32071	1.4
493.31815	1.3
511.32480	2.3
524.93433	1.0
533.27063	0.9
551.28589	13.6
552.28546	2.0
569.29669	30.8
570.30524	4.3
587.30920	10.3
588.31122	1.2
611.30914	8.8
629.31818	11.8
630.32587	1.5
638.70612	0.9
715.38837	13.8
716.39429	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31870	0.8
57.03452	1.5
58.00572	0.8
59.01379	100.0
60.01707	1.2
61.98841	1.6
71.01381	27.1
72.99300	1.9
73.02953	6.8
83.01384	2.6
85.02942	9.4
87.00896	1.9
89.02443	9.9
95.01384	4.2
96.96027	1.7
97.02974	1.1
99.00874	1.1
101.02442	12.7
107.05058	1.5
108.02199	1.2
113.02451	16.8
115.00356	1.4
119.03497	3.3
124.01662	1.2
125.02416	4.7
133.01437	2.8
133.02983	1.9
134.03728	3.4
135.04523	11.2
137.02467	1.0
143.03510	2.8
161.04593	2.0
177.01926	2.7
178.02715	1.9
179.03500	1.2
179.12801	0.8
189.50089	0.9
224.90858	1.0
237.43701	1.0
275.09308	1.2
293.10220	2.8
321.09732	1.2
407.24408	1.4
533.27631	1.6
539.03815	0.9
542.60571	1.0
551.28693	20.3
552.28802	3.9
569.29688	45.7
570.29926	7.0
587.30615	15.1
588.31030	2.8
602.31250	1.0
611.30548	9.8
612.31696	1.0
625.24878	1.4
629.31793	17.5
630.31616	2.6
715.38849	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.3965
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.1
60.87497	0.1
61.98830	100.0
62.98540	0.2
65.75733	0.1
65.86020	0.1
71.01380	0.2
71.52196	0.1
78.95918	0.2
99.92584	0.1
115.00441	0.1
116.92855	1.3
117.01940	0.1
120.81834	0.1
144.85533	0.1
156.34142	0.1
197.11830	0.1
253.21739	0.1
277.21921	0.4
278.21951	0.2
311.16864	0.2
325.18445	0.2
788.32825	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	758.3971
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
62.98561	0.1
71.29130	0.1
72.35901	0.1
78.95943	0.2
109.21335	0.1
150.25009	0.1
152.99503	0.1
200.01144	0.1
209.11896	0.1
277.21802	0.2
284.97449	0.1
290.18567	0.1
335.09555	0.1
353.94058	0.1
544.39606	0.1
569.87231	0.1
578.44775	0.1
630.61072	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83363	0.5
58.25022	0.5
59.01377	16.6
61.98826	100.0
65.97698	0.5
69.03453	0.8
69.26619	2.9
69.27058	2.1
71.01388	2.3
78.95911	5.1
83.05035	0.8
85.03001	0.7
87.00872	0.7
89.02444	1.9
98.19751	0.5
101.02447	1.7
109.06632	0.9
113.02451	1.6
116.92874	1.7
123.71166	0.6
132.09393	0.6
152.99594	1.4
153.12865	1.1
161.04494	0.8
163.22969	0.6
169.12332	7.0
171.10089	0.7
179.05559	0.7
181.08548	0.8
197.11813	99.9
198.12148	5.3
212.54964	0.6
235.08255	1.7
249.18562	46.0
250.18883	3.3
253.09242	7.1
255.23270	3.5
277.21649	3.1
278.22046	1.8
279.22284	0.7
323.63434	0.6
338.73526	0.6
367.92889	0.6
415.19574	1.3
433.20718	9.4
485.27835	0.9
539.05109	0.6
543.39282	0.7
665.38837	0.7
757.38464	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89525	1.0
59.01376	15.1
60.11209	0.9
61.98828	44.7
66.42922	1.0
71.01382	2.9
72.87160	1.1
78.95908	4.4
83.05065	0.9
87.00896	2.0
89.02436	2.2
97.02965	1.3
101.02459	2.9
109.06592	2.0
113.02499	1.1
123.08144	1.3
125.09711	4.3
141.09216	1.2
151.07642	21.9
152.07999	1.1
152.99648	1.6
161.02646	1.0
161.04581	1.2
169.08691	42.2
170.09111	2.2
197.11838	1.0
213.17767	0.9
223.22061	1.2
235.08257	5.0
253.09299	13.4
255.23264	8.0
262.32285	1.0
277.21704	100.0
278.22028	10.7
325.18423	2.3
403.02414	1.1
403.86795	1.2
513.30627	1.8
642.37561	1.3
659.16132	1.1
757.39014	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.5
59.01379	4.2
61.98817	1.3
65.22147	0.5
70.54180	1.3
71.01382	1.6
73.02953	1.1
84.63332	0.5
85.02949	1.7
87.00846	0.7
87.52888	0.4
88.98800	0.8
96.95998	1.8
97.06517	0.4
99.04544	0.8
101.02437	1.0
127.11307	0.8
133.01457	0.6
134.03728	3.4
135.08154	0.9
136.05298	1.1
137.06174	0.6
137.09727	1.1
138.97060	0.5
149.06078	7.6
149.09641	0.5
149.63792	0.5
150.06862	50.3
151.07172	2.9
155.10765	0.6
161.09746	1.4
162.06854	1.1
163.07639	13.2
163.11290	0.5
164.08414	7.4
169.12297	1.0
171.10268	1.1
176.08434	3.0
177.09117	1.0
178.02744	1.0
178.09993	4.2
179.10765	14.8
180.11134	0.5
184.49658	0.4
185.11839	0.5
193.05055	5.1
197.11797	1.7
204.40700	0.5
238.86510	0.5
253.09293	0.5
265.21796	1.2
327.25314	2.1
329.23318	7.1
428.76181	0.5
430.30789	1.1
432.32303	0.7
445.33243	0.7
448.31754	9.1
449.32178	1.8
462.33362	1.9
463.34283	11.8
464.34677	1.6
465.02457	0.5
490.33035	2.8
491.33832	2.3
508.34183	3.3
509.34842	25.1
510.35104	4.6
671.40106	2.0
713.41150	100.0
714.41418	22.9
757.36584	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91721	0.5
59.01382	2.3
61.98814	1.0
71.01371	1.0
73.02941	0.6
85.02946	1.7
87.00890	0.6
89.02460	0.5
90.43293	0.5
94.98069	0.5
99.04539	0.7
105.87518	0.4
113.02491	0.4
113.06084	0.6
121.06606	0.5
134.03705	1.2
135.04541	0.5
135.08150	0.5
136.05296	1.0
137.02383	0.6
137.06062	0.6
139.52434	0.4
149.06076	7.5
150.06859	49.8
151.07188	2.3
155.10765	0.6
161.09697	1.2
162.06903	0.7
163.07646	14.2
164.08408	5.7
167.90053	0.5
171.10187	0.8
171.94650	0.5
176.08401	1.5
177.09172	0.9
178.10010	4.1
179.10771	12.5
180.11081	0.8
193.05061	3.0
193.08621	0.6
229.91985	0.6
233.09407	0.5
283.22726	0.6
327.25369	1.7
329.23322	6.0
330.23572	0.8
416.56357	0.6
445.33224	1.4
448.31934	9.4
449.32269	0.7
462.33527	1.9
463.34225	11.0
464.34509	2.0
490.33124	2.6
491.34039	2.7
493.35864	0.7
508.34131	2.4
509.34827	22.4
510.35257	3.7
671.40240	1.7
713.41156	100.0
714.41479	21.0
757.36700	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3937
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66904	3.0
59.01377	6.9
59.77398	3.5
60.99298	3.3
61.98832	100.0
63.67012	3.3
72.04655	2.7
77.97218	2.9
78.95918	16.0
79.53999	2.9
80.96523	4.7
84.13196	2.7
88.98797	19.9
89.02442	10.6
109.06567	5.5
115.51197	2.8
138.63603	2.9
152.99583	5.3
161.02458	2.9
207.10268	26.9
225.11299	10.0
235.08206	6.1
245.00659	3.3
253.09132	10.3
255.23355	22.0
277.21759	67.6
278.22122	9.3
279.22968	6.5
317.65158	3.3
339.19931	7.7
721.41766	24.1
722.41931	7.7
757.39911	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	757.3932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	14.2
61.98833	100.0
69.03449	7.5
70.12512	18.3
71.01364	4.8
78.95902	11.2
81.55779	4.8
97.99402	4.0
109.06557	12.6
129.76437	4.9
152.99561	5.9
197.62779	4.4
207.10234	47.9
209.11847	6.2
225.11324	12.5
235.08188	5.8
244.05135	5.0
249.18518	5.8
253.09337	12.6
255.23257	27.0
256.23825	5.2
277.21722	60.4
345.52472	4.5
437.22708	4.4
443.19476	6.0
461.20279	6.4
505.77933	4.9
691.14288	5.2
721.41656	23.1
722.42029	6.0
757.42511	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09729	1.0
54.09991	1.1
54.68707	1.2
57.03419	3.0
58.50158	1.1
59.01380	17.2
61.98825	2.4
64.46607	1.3
69.03434	4.5
69.26286	2.7
69.26686	7.9
71.01377	10.8
71.05015	3.1
73.02930	2.5
81.03407	1.6
83.01431	1.5
83.05019	1.7
85.02945	3.5
87.00865	3.8
88.98802	1.1
89.02415	4.8
95.04993	3.2
96.95988	3.2
97.06568	4.5
101.02429	6.3
109.06560	3.4
113.02414	3.7
115.00346	1.8
119.03490	1.4
123.08170	7.2
125.09716	3.7
127.07608	1.6
133.06627	1.4
134.03741	1.8
135.04469	1.3
137.02478	1.3
137.09657	1.3
149.06065	1.5
150.06776	2.8
151.07588	3.8
151.11176	2.3
161.09680	2.1
163.07574	1.6
163.11197	1.1
169.08679	9.5
171.10225	2.1
175.02365	2.7
179.06973	1.4
179.10847	5.4
179.12083	1.3
181.08806	1.5
183.10269	1.7
183.98262	1.2
185.11803	1.6
197.11824	77.6
197.72559	1.3
198.12088	2.8
207.10168	1.3
209.11752	4.6
223.09659	3.3
223.42848	1.3
225.11180	1.5
235.08142	1.3
241.10693	4.1
253.09073	4.0
279.15982	1.4
307.19022	2.7
315.18057	2.5
325.20090	2.0
326.81009	1.2
392.11090	1.3
459.18317	2.7
477.19489	3.9
509.30884	1.5
650.47937	1.3
713.41241	6.1
739.35590	3.8
757.36218	100.0
758.36560	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	757.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57792	0.4
54.36957	0.4
56.43452	0.5
58.86551	0.4
59.01347	0.5
68.09042	0.5
69.49236	1.0
69.49641	2.3
84.02154	0.4
93.03458	3.6
95.01396	0.7
96.96046	0.7
100.44644	0.4
107.04984	0.7
108.02166	2.0
109.02932	1.1
119.05020	0.7
121.02951	13.5
122.03755	11.9
123.00845	0.9
123.04537	1.1
124.01691	1.0
132.02145	0.9
133.02936	1.8
134.03748	1.1
135.04524	11.1
136.01659	29.7
136.05257	0.9
137.02478	5.3
145.02951	0.7
147.04556	2.2
149.02441	27.6
149.06055	1.0
150.03227	51.8
151.04012	38.6
151.05016	0.4
151.05284	1.2
152.04349	1.7
154.02779	0.5
159.04478	1.3
160.05246	1.6
161.06091	1.4
162.03200	1.8
163.04008	3.7
164.04810	6.3
165.05565	50.3
166.05890	2.1
172.05275	1.7
173.06090	1.1
175.03986	7.1
175.07576	0.7
176.04652	1.8
177.05562	2.4
180.04323	2.9
188.01390	0.5
189.05573	4.4
190.06349	11.3
191.07060	1.2
195.06619	28.2
196.06915	1.4
205.08658	1.9
236.04680	0.7
237.05553	0.7
241.04988	1.9
252.04266	1.7
253.04628	0.5
255.06718	0.9
267.06631	0.9
271.09732	1.1
279.06561	1.0
284.06879	1.1
285.07623	2.2
289.10977	0.7
293.07968	0.5
299.09235	5.7
307.09692	0.6
310.08484	0.6
311.09235	1.6
312.09937	0.6
325.10806	1.2
326.11624	0.6
327.12372	4.3
339.12628	1.1
342.10968	1.6
343.11774	1.9
353.10104	1.1
356.13123	0.7
357.13409	33.9
358.13870	3.5
460.15332	1.9
475.17691	6.1
476.17767	0.9
487.17603	0.8
490.15976	2.4
505.18671	100.0
506.18976	15.0
516.75635	0.6
523.19598	0.9
535.19513	1.4
553.20758	34.2
554.21228	5.3
562.54266	0.5
617.55322	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.3811
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25388	0.2
58.75006	0.1
61.98830	100.0
69.81861	0.8
98.19970	0.2
101.10008	0.2
112.47351	0.2
116.92868	0.4
151.58960	0.2
155.08276	0.2
161.88837	0.2
230.90506	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.3808
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.2
60.42463	0.1
61.98827	100.0
62.98523	0.2
78.57287	0.1
78.95901	2.0
88.98810	0.1
92.47472	0.1
116.92861	0.8
145.04953	0.1
148.04771	0.1
152.99562	0.5
175.06366	0.2
219.08922	0.1
225.11391	0.1
251.20009	0.1
252.20534	0.1
253.09283	0.2
255.23273	1.4
256.23618	0.4
263.09259	0.1
277.21823	0.3
278.21802	0.1
279.22372	0.1
608.89948	0.1
694.37384	0.1
696.40454	0.2
738.39862	1.1
739.40045	0.2
756.42987	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63012	0.5
66.23676	0.5
69.39321	3.9
71.01382	9.9
93.52389	0.5
100.95430	0.5
109.02943	3.2
115.00375	11.6
117.99273	0.6
123.04507	0.8
133.01440	13.2
133.02957	1.1
135.04536	4.2
145.02927	0.7
146.03644	0.8
147.04497	1.0
150.03043	0.6
153.05573	0.9
153.56645	0.5
162.05614	7.9
163.03847	0.7
164.07222	0.6
177.01880	0.8
179.03481	2.2
181.10362	0.5
185.06026	0.8
185.38351	0.7
209.06046	0.6
213.05586	1.7
227.07181	1.0
237.05595	1.9
238.06218	0.7
239.07040	1.3
240.04298	1.6
241.05077	5.7
242.05835	1.2
254.05861	1.3
255.06615	22.8
256.07388	33.4
257.07950	3.6
269.08170	8.4
271.09741	18.8
272.10071	1.7
284.09439	0.7
285.10077	18.7
286.10538	1.0
295.04691	0.9
300.12399	32.3
301.12781	2.2
323.33777	0.6
344.11371	100.0
345.11725	6.6
435.48035	0.6
460.12503	9.5
461.12521	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.3859
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.8
57.13388	0.4
59.01377	2.6
61.98813	1.0
70.48804	0.5
70.49139	0.7
71.01380	0.7
71.04997	0.4
73.02959	1.0
85.02950	0.9
87.00880	0.8
95.05025	0.3
97.06596	1.3
99.04518	1.2
100.62350	0.4
101.02454	0.4
104.38355	0.4
111.04493	0.9
111.08186	0.6
113.06073	0.5
115.49037	0.3
121.06566	0.4
133.01422	0.4
135.08162	0.5
136.05286	1.0
137.06088	0.6
139.07655	0.7
149.06067	5.8
150.06859	48.1
151.07204	2.4
157.08783	0.6
161.09758	0.9
162.06839	0.9
163.07645	12.9
164.08424	7.5
176.08414	1.4
177.09219	0.9
178.09978	3.7
179.10760	14.0
180.11053	0.6
192.63698	0.3
193.08768	0.8
193.35818	0.4
197.15425	0.5
237.18463	0.4
263.20151	0.7
265.44421	0.4
279.23120	0.4
281.21185	0.7
283.19345	0.6
295.63712	0.4
325.23773	1.0
327.18268	0.4
327.21777	4.8
328.22137	0.3
428.29202	1.1
443.31625	1.7
444.32300	0.5
445.33289	0.6
446.30280	7.3
447.30685	1.1
448.31622	0.5
460.32019	1.5
461.32718	6.9
462.33203	1.6
463.34381	1.1
488.31345	1.2
489.32120	2.7
490.31946	0.4
506.32428	3.1
507.33249	19.9
508.33533	3.2
588.77295	0.4
657.38501	0.3
669.38684	1.5
711.39563	100.0
712.39874	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68340	1.3
59.01108	1.9
59.01382	25.7
61.98830	8.0
71.01383	9.2
71.52689	1.4
72.99280	1.3
73.02945	3.6
83.01390	1.5
85.02950	6.0
87.00872	2.4
89.02427	4.6
91.83025	1.2
95.20880	1.4
96.96038	2.6
101.02454	6.3
107.25770	1.5
113.02452	5.6
127.67079	1.3
134.03717	1.5
135.04507	2.7
149.06070	4.2
150.06853	41.0
151.07175	1.8
161.04581	2.0
162.06847	2.0
163.07628	13.0
164.08397	6.7
177.09181	1.7
178.09875	1.7
179.10760	16.3
241.75409	1.3
264.73578	1.3
308.76706	1.6
325.23831	4.1
327.21799	10.2
328.21655	1.4
446.30234	3.3
460.31857	4.3
461.32513	3.3
462.33594	1.8
463.34235	1.7
488.31738	1.8
489.32312	3.9
497.49341	1.6
506.32312	8.1
507.33276	19.0
508.33578	4.5
609.31995	2.4
627.33289	1.4
651.39380	2.8
669.38300	2.9
672.42566	1.4
711.39655	100.0
712.40027	18.5
755.34338	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	754.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.3
61.98829	100.0
62.98522	0.2
69.09164	0.1
71.51476	0.2
71.51815	0.2
75.89282	0.1
77.41998	0.1
78.95909	1.1
80.96535	0.3
152.99634	0.3
161.02492	0.3
196.80847	0.1
199.13391	0.7
203.13240	0.1
209.11949	0.2
214.12344	0.1
223.13467	0.4
224.13713	0.2
250.19028	0.3
253.09363	0.3
255.23297	1.3
277.21683	0.8
378.87506	0.2
384.71292	0.1
508.24753	0.1
602.35571	0.2
643.48151	0.1
754.42004	0.3
755.41479	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.1826
Annotation	Quercetin 3-(6'''-p-coumarylglucosyl)(1->2)-rhamnoside
Peak:m/z	Relative Intensity
53.67117	0.4
59.01387	0.6
63.02394	0.6
63.23244	0.4
65.00321	1.3
71.10886	1.0
77.66470	0.5
82.60252	0.5
83.01403	1.2
96.96001	2.3
104.85373	0.5
107.01392	3.1
108.02186	1.3
109.02975	0.6
119.05026	0.9
121.02960	1.2
124.01604	0.5
135.00848	1.2
135.04536	0.6
145.02946	1.5
148.01654	1.8
151.00363	10.2
163.00398	1.4
163.04065	0.6
164.01207	0.9
177.09146	0.6
178.99866	7.1
187.04095	0.5
199.03922	1.3
205.08676	1.6
215.03534	1.1
226.02782	1.7
227.03532	3.0
229.01286	0.6
243.02979	11.8
244.03520	1.2
254.02251	2.7
255.02974	28.8
256.03418	1.5
269.71326	0.6
271.02469	65.4
272.02945	5.8
283.02313	0.6
289.11182	3.9
299.01956	4.1
300.02728	100.0
301.03317	14.5
389.17819	0.5
429.08151	1.3
505.09396	0.6
591.13721	2.4
609.14569	51.3
610.14899	5.3
624.65961	0.5
688.32416	0.5
755.18219	34.9
756.18756	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	753.4064
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	11.5
61.98826	9.2
68.92208	0.5
71.01371	4.6
73.02932	1.0
76.17606	0.6
78.95901	2.0
80.96503	1.6
81.03439	0.6
85.02957	0.9
89.02420	1.9
95.01382	0.6
95.05054	1.1
97.02932	1.8
97.06622	0.9
98.20689	0.8
99.00880	13.6
99.01537	0.9
101.02416	2.7
110.03719	0.6
113.02422	1.5
117.07098	2.8
123.04531	3.6
125.02470	0.6
133.06606	1.1
135.08154	6.4
142.02716	0.9
152.99629	0.7
153.09204	17.8
154.09567	1.0
161.02448	1.2
161.04536	1.5
169.12390	0.9
171.10268	3.5
179.05670	1.0
179.07127	7.6
197.08179	36.3
198.08504	2.2
215.09183	4.1
229.68835	0.5
231.34738	0.6
235.08177	3.9
253.09296	5.6
255.23141	1.0
275.20117	0.7
277.21707	100.0
278.22043	8.1
299.91370	0.6
307.68997	0.7
415.15970	3.2
433.17062	4.5
534.54132	0.5
556.89496	0.6
693.19604	0.7
693.38507	15.3
694.39020	2.9
732.86688	0.6
753.20715	1.2
753.45447	3.7
754.19482	0.6
754.44592	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45583	0.3
59.01369	0.4
59.31056	0.3
61.98832	100.0
78.95906	2.8
80.96529	0.4
83.02558	0.3
88.51472	0.3
98.19843	0.5
105.06791	0.3
152.99612	1.0
161.02493	0.7
255.23253	1.8
277.21719	0.6
278.22134	0.5
315.97818	0.3
500.47049	0.3
541.44080	0.3
700.45825	0.9
754.23901	0.5
754.41510	0.4
755.41766	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4062
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	10.3
61.98827	2.7
64.46163	0.4
70.74005	0.4
71.01376	4.4
73.02930	0.8
75.00842	0.5
78.95889	1.7
80.96517	1.4
81.03457	2.0
83.01354	0.6
85.02956	1.2
85.13607	0.4
87.00884	1.1
89.02441	2.3
94.98074	0.5
95.05032	1.6
97.02937	0.7
97.06599	1.3
99.00854	0.6
101.02427	3.1
107.05032	1.5
109.06616	0.9
112.98578	0.5
113.02442	1.4
117.07107	5.5
119.03477	0.7
123.04524	4.4
131.04984	0.6
133.05061	0.7
133.06596	5.1
135.08159	19.6
136.08487	0.7
145.05064	0.9
149.06023	1.1
151.07628	1.2
153.05556	0.5
153.09184	3.5
161.04573	1.3
161.06076	2.8
163.11177	0.5
168.94803	0.5
179.07137	49.2
180.07446	2.4
182.67793	0.5
197.08191	7.4
225.00624	0.6
229.02739	0.4
229.08363	0.5
235.08208	4.6
253.09288	11.3
255.23373	0.6
277.21716	100.0
278.22083	8.3
302.85056	0.6
397.15091	0.5
415.16238	1.2
426.84814	0.4
433.17117	1.6
693.38361	10.7
694.39093	2.0
753.37640	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4067
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75890	0.6
57.92195	0.7
59.01381	18.9
61.98836	6.6
69.03444	1.2
71.01376	5.2
78.95892	1.3
83.01371	0.9
83.05026	0.9
85.02947	1.8
87.00873	1.1
89.02444	2.1
97.02960	7.4
97.06567	1.7
98.20664	1.8
99.00870	8.2
101.02438	3.0
109.06556	2.6
110.03729	1.9
113.02452	1.9
113.94186	0.8
116.73414	0.8
121.03676	0.9
123.04534	1.1
125.02438	1.1
125.09719	3.0
135.04453	1.0
135.08150	1.4
142.02716	2.7
143.31570	0.9
161.02495	1.4
161.04486	1.5
163.11281	8.7
179.05702	0.9
179.07144	3.3
179.10661	0.9
181.10855	1.1
181.12352	16.0
197.08115	1.7
199.13333	2.1
207.10255	53.1
208.10541	2.3
213.11264	0.8
225.11317	100.0
226.11655	5.8
229.06619	1.2
235.08229	2.8
243.12375	8.5
244.12553	0.9
249.18587	80.8
250.18900	6.2
253.09175	3.2
253.21698	1.2
277.21671	10.4
278.21997	1.5
281.13669	0.8
334.65744	0.8
394.01587	0.8
443.19391	4.0
461.20285	40.7
462.20746	4.7
580.88708	0.9
693.38446	27.0
694.38678	4.8
717.45758	1.9
753.40466	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59222	0.5
59.01364	1.8
70.79754	1.0
71.01381	11.1
72.99303	2.1
86.62593	0.5
89.02451	1.7
101.02429	1.0
115.00375	28.4
119.05024	21.7
120.05341	1.4
124.64974	0.5
133.01427	100.0
134.01744	1.9
135.04561	0.7
163.04007	28.7
164.04318	0.9
179.03497	0.7
279.05057	4.8
441.02402	0.6
470.19443	0.8
627.86780	0.5
633.25861	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3695
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87947	0.6
55.72845	0.7
57.03447	1.0
59.01381	7.8
61.98825	3.7
66.18468	0.7
69.50620	1.3
69.51027	4.0
71.01387	3.9
83.22897	0.5
85.02953	1.6
99.04514	2.5
101.02458	1.4
113.02448	0.9
133.01477	0.7
135.08202	2.0
136.05342	1.2
137.06119	1.4
145.05106	1.1
149.06065	14.2
150.06863	97.6
151.07278	4.6
161.09773	1.7
162.06906	3.3
163.07652	25.8
164.08426	12.1
176.08421	2.8
177.09181	4.9
178.09985	8.6
179.10786	22.2
180.11101	1.2
268.52509	0.6
328.46072	0.7
418.30823	0.9
428.29190	2.3
443.31491	4.2
446.30344	22.8
446.36603	1.2
447.30646	2.3
459.30927	1.1
460.31946	22.7
461.32700	100.0
462.33136	11.2
487.31012	0.8
505.33084	1.8
581.91766	0.7
667.37866	1.4
709.38068	42.0
710.38354	8.8
749.82269	0.7
760.53412	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53904	0.4
57.03466	0.4
58.90752	0.5
59.01378	20.5
61.98826	12.3
69.03468	1.9
69.31440	3.9
71.01380	3.6
71.05009	0.9
78.95922	0.6
79.95740	0.6
80.96507	2.2
83.01396	0.5
83.05054	0.8
85.02950	0.5
87.00860	0.7
89.02438	2.3
94.98074	0.4
100.85332	0.4
101.02431	2.7
101.27804	0.4
109.06587	0.7
113.02467	1.2
116.82507	0.4
118.64924	0.4
145.05125	0.5
149.09735	0.8
153.54462	0.4
161.02536	0.5
161.04526	1.6
167.10789	2.5
171.10210	1.0
177.12828	0.5
179.05666	0.8
179.10791	0.6
179.14439	3.6
187.11484	0.5
195.10176	0.6
195.13898	10.0
205.12329	9.5
223.13388	100.0
224.13707	5.4
225.00740	0.6
231.17548	0.5
235.06049	0.5
235.08203	2.1
249.18584	60.3
250.18959	3.9
253.09283	7.6
255.23325	0.7
289.68039	0.6
441.21121	2.5
459.22366	16.0
460.22684	1.6
485.27649	0.8
504.61429	0.5
524.98309	0.5
551.50641	0.5
691.40338	1.5
751.36517	1.8
771.27039	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	0.7
59.01378	16.0
61.98832	13.7
67.34569	0.6
67.80699	0.5
69.03456	6.2
71.01386	2.9
71.24092	0.6
73.02934	1.0
78.95890	2.3
79.95734	0.9
80.96099	0.7
80.96510	4.0
85.02929	0.8
87.00877	0.8
89.02435	1.8
94.98087	0.6
95.04989	1.1
97.53041	0.6
101.02444	3.3
105.29877	0.7
109.72052	0.6
113.02432	1.5
125.02257	0.8
125.06092	1.7
134.90979	0.6
149.09669	0.8
151.11259	3.0
152.07135	0.8
152.99629	1.1
159.08142	1.1
161.04555	1.4
164.98705	1.0
167.10789	1.1
169.36240	0.6
177.09196	23.3
178.09554	1.1
195.10257	44.2
196.10605	2.8
196.89548	1.0
209.11842	1.0
225.40891	0.7
229.49173	0.6
235.08228	5.7
253.09290	10.0
255.23154	0.8
277.21707	100.0
278.22070	10.5
283.64542	0.7
304.23590	0.6
385.07166	0.7
413.18427	0.8
431.19534	0.8
476.33563	0.6
577.17761	0.7
751.35419	4.1
752.36755	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55598	0.2
59.01370	0.5
61.98826	2.0
68.83034	0.3
70.93795	0.3
71.01379	0.3
72.82123	0.2
78.95902	21.2
79.95734	3.6
84.23468	0.3
89.02457	0.4
94.98074	0.6
96.96011	100.0
96.96963	28.5
97.95959	0.5
99.66328	0.3
107.63202	0.3
109.98185	0.3
114.93430	0.3
120.12877	0.2
129.75703	0.3
151.63885	0.3
155.07033	0.3
181.08730	0.8
194.90007	0.3
253.09132	0.4
255.23352	0.7
277.21762	1.8
290.87347	0.3
385.19199	0.3
397.13641	0.8
435.07816	0.4
453.09229	0.5
502.49646	0.3
575.06866	0.3
691.32581	0.7
751.39673	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.6
61.98832	2.1
68.99555	1.1
71.01379	1.5
71.52580	0.4
72.99309	4.2
75.00871	100.0
76.01221	0.9
76.48991	0.3
85.02954	0.3
86.15465	0.4
87.00880	0.4
89.02445	0.9
101.02431	1.0
107.41866	0.4
112.98592	0.8
113.02457	0.6
119.03482	0.4
125.02480	0.5
129.22116	0.5
133.02933	0.7
135.04532	1.5
161.02422	2.4
166.60896	0.4
171.12421	0.4
179.03447	0.6
179.05785	0.4
224.21910	0.4
225.11246	0.5
277.21756	3.3
397.13412	6.0
398.13889	0.6
415.14581	2.2
475.27237	1.0
528.80396	0.4
637.30048	2.3
638.30219	1.1
751.40283	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68669	0.8
55.01877	1.4
57.03440	1.9
58.00581	0.9
59.01380	32.1
61.98829	6.1
65.92760	0.7
69.03452	0.8
71.01381	23.9
71.51719	0.8
71.52117	1.1
72.20525	0.7
72.50443	0.7
72.99305	1.7
73.02946	11.0
83.01397	4.8
85.02956	11.9
87.00872	1.5
89.02434	4.5
91.21500	0.7
95.01373	2.0
96.96000	0.7
97.02950	1.5
99.00881	2.6
101.02441	18.1
109.20329	0.8
111.00848	1.5
113.02452	11.0
119.03489	2.0
121.43620	0.6
124.01717	0.8
125.02455	1.1
133.01405	0.9
134.03735	1.3
135.04500	1.5
143.03514	0.8
161.04561	2.2
165.49295	0.7
167.55232	0.8
171.13892	1.6
269.58435	0.8
277.05536	0.9
441.34134	0.8
459.34317	0.7
467.39453	0.7
485.31149	5.4
487.33887	1.0
503.32251	100.0
504.32523	13.1
527.32288	3.0
545.33301	25.3
546.33319	4.6
569.33105	1.0
647.37744	1.8
691.40222	0.9
707.39935	4.1
708.40485	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	3.8
60.01730	0.2
61.98831	100.0
65.32530	0.2
71.01379	0.3
71.52754	0.3
71.74471	0.2
72.68999	0.2
78.95925	0.4
95.00191	0.2
97.98752	0.2
128.94240	0.2
154.33911	0.2
158.33353	0.2
191.71510	0.2
200.08159	0.2
209.11911	1.5
247.88863	0.3
255.23308	0.3
277.21814	0.9
278.22067	0.2
303.23404	0.6
316.16553	0.2
515.14301	0.2
529.15277	0.5
616.20496	0.6
617.20422	2.6
649.18896	0.4
715.45416	0.2
732.39734	0.3
750.24127	3.3
751.24292	0.7
754.44885	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.34
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.7
59.01379	100.0
60.01695	0.7
63.02269	0.5
69.90542	2.7
71.01385	13.3
73.02954	4.2
83.01391	1.6
85.02947	5.4
87.00850	0.6
89.02412	0.8
95.01403	1.4
95.46727	0.5
98.52399	0.5
99.00893	1.4
99.39230	0.5
101.02437	6.2
113.02454	4.9
125.02499	0.9
138.70294	0.6
159.03047	1.0
161.04585	3.7
193.96733	0.6
206.60986	0.7
289.16556	11.0
301.04666	0.6
311.27988	0.7
331.17529	3.7
339.44446	0.7
426.05405	0.7
643.31946	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96272	9.3
61.98828	67.3
71.52378	17.8
89.02474	11.5
96.96045	16.0
126.27445	9.4
126.90421	31.4
197.11835	10.4
201.11288	46.1
209.11803	77.3
223.13408	16.1
227.12881	37.4
235.13246	13.1
249.18622	100.0
253.09209	26.9
642.30389	11.0
695.39740	16.1
720.56415	10.4
749.39819	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	749.388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96272	9.3
61.98828	67.3
71.52378	17.8
89.02474	11.5
96.96045	16.0
126.27445	9.4
126.90421	31.4
197.11835	10.4
201.11288	46.1
209.11803	77.3
223.13408	16.1
227.12881	37.4
235.13246	13.1
249.18622	100.0
253.09209	26.9
642.30389	11.0
695.39740	16.1
720.56415	10.4
749.39819	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	749.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21804	4.8
57.42854	5.1
59.01369	10.9
61.98831	50.1
69.32431	12.2
69.32851	28.5
71.01398	5.9
94.92522	5.8
94.98082	15.7
96.96096	5.1
98.19903	7.7
141.71288	5.2
154.80634	4.6
155.07176	12.0
173.08250	7.9
181.08687	42.1
207.10229	6.6
225.11296	15.9
235.08154	6.2
249.18376	8.0
253.09309	22.9
277.21722	100.0
278.22070	13.6
315.17020	4.5
389.04718	4.9
488.30453	5.6
513.30713	8.4
556.82080	6.7
643.55157	5.5
749.39020	18.7
749.51868	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	747.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.9
61.98819	3.1
63.96226	1.8
69.03455	1.3
69.17793	8.5
71.01381	8.4
73.02927	2.4
74.19142	0.8
76.73171	0.8
78.95908	13.3
78.98597	6.7
79.95741	13.8
80.96518	78.1
81.03439	1.6
85.02957	3.1
85.51172	0.9
87.00869	3.1
91.05544	7.9
93.03458	2.9
94.98093	19.5
95.01399	0.8
96.95968	0.9
96.96929	1.1
97.03006	1.2
98.19862	1.7
101.02419	2.9
106.04290	1.0
106.98085	3.3
107.05031	28.2
108.05383	0.9
110.98520	1.9
113.09679	0.9
118.29179	0.8
122.97574	4.4
125.02449	2.2
127.03983	1.0
134.97601	6.0
135.04530	100.0
136.04843	3.3
136.99167	0.9
137.06067	1.0
148.99142	6.5
151.03970	1.7
152.98528	6.0
152.99657	6.0
164.98636	12.9
206.99696	2.3
209.11736	1.7
211.13321	1.0
225.00735	19.3
255.23300	32.4
256.23566	2.1
260.50250	0.8
277.21729	1.5
280.23715	0.9
281.24814	10.0
282.25156	2.2
373.16656	1.4
376.82727	1.0
391.17621	1.2
447.20337	1.0
465.21194	1.1
491.15729	1.6
509.28549	1.4
510.29202	2.2
511.29092	1.4
537.27344	1.5
588.44464	0.9
703.43799	1.4
747.39862	97.5
747.51569	9.5
748.40240	18.0
748.52997	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.5133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99499	1.5
58.00588	1.9
59.01374	25.3
61.98821	4.7
69.91428	1.9
70.83827	2.4
70.84172	4.0
71.01388	20.3
72.99306	2.3
85.02956	2.2
87.00849	1.8
89.02438	29.7
101.02440	15.0
113.02448	10.1
119.03487	13.6
141.33810	2.2
143.03505	2.1
145.19312	1.7
161.04573	3.5
179.05577	10.6
194.80956	1.9
225.22176	5.5
255.23244	1.9
271.22720	3.0
278.24780	3.5
279.23203	3.4
467.50732	1.9
532.47119	19.1
533.47821	2.8
550.48438	7.7
551.49030	2.7
712.53644	100.0
713.53851	23.4
748.51282	23.4
749.51227	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	747.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.9
60.44081	1.0
61.98825	13.2
71.01379	2.3
78.95916	2.6
87.00884	1.1
88.98812	1.3
89.02450	2.6
95.01399	1.1
97.06561	1.2
101.02457	2.1
102.74168	1.1
103.00428	1.1
105.01930	11.6
109.06577	3.2
113.02466	1.1
123.04492	1.2
125.06125	2.6
127.07687	1.2
128.24727	1.2
133.06548	1.2
135.04480	1.5
135.08163	5.9
138.29480	1.1
139.47774	1.0
140.10628	1.0
142.68579	1.1
151.07619	1.1
152.99600	1.4
153.05583	18.8
153.09207	1.9
161.02425	1.5
171.06596	2.8
179.05566	1.6
179.07124	31.8
197.08197	20.5
197.09914	2.0
198.64653	1.1
204.21175	1.1
207.10156	1.3
221.75462	1.1
235.08191	10.0
253.06615	1.9
253.09251	16.0
255.23244	2.6
277.21710	100.0
278.22095	8.0
281.24771	1.4
288.06567	1.1
325.32642	1.3
336.32458	1.2
433.17194	1.1
441.95703	1.0
480.87659	1.3
513.30713	4.5
557.19067	1.5
567.26740	1.2
667.36871	4.7
693.38489	11.7
694.39063	2.6
747.37317	5.0
747.50476	2.6
748.37256	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	12.1
60.99309	4.8
61.98829	66.5
64.21599	3.5
71.01369	9.6
71.41678	3.5
72.99309	21.1
73.02945	5.4
78.95879	5.7
80.59438	3.7
88.98803	20.4
89.02442	12.6
92.92808	31.8
93.60519	3.7
97.02956	5.7
97.19195	3.7
101.02449	9.0
109.06606	20.0
125.09738	3.8
135.04547	7.4
152.99696	5.2
163.11295	11.2
171.10214	20.5
180.93480	4.2
181.08679	10.2
199.09734	68.1
207.10269	63.7
208.10730	5.4
209.12144	4.0
225.11348	64.3
226.11612	4.4
249.18590	100.0
250.18881	8.4
253.09140	23.4
255.23277	9.0
277.21860	19.6
339.25327	4.3
413.27048	6.7
417.17706	6.9
435.18631	17.6
436.19028	4.4
443.19202	22.4
461.20114	24.1
550.13586	4.7
649.35431	6.1
667.37012	82.6
668.37030	21.0
675.37762	7.5
676.36554	5.3
693.38513	66.2
694.38910	13.2
745.28546	4.8
747.37665	13.1
747.50604	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	743.3699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65619	0.2
59.01397	0.3
60.99306	16.4
61.98829	2.1
69.32226	1.2
69.32654	0.8
71.01382	0.7
77.54660	0.2
78.95901	0.5
87.00890	1.2
88.00401	3.3
88.98804	100.0
89.02439	16.8
89.99151	1.1
101.02428	0.3
127.55718	0.2
132.43452	0.2
255.23279	0.8
277.21729	0.3
279.23431	0.2
309.14139	0.2
376.84320	0.2
397.13358	1.3
403.20898	0.3
415.14630	0.3
457.19751	0.2
507.27475	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.5025
Annotation	PG(16:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
61.98830	20.2
68.37614	5.1
69.00818	5.1
73.83576	5.1
78.95905	28.6
98.20663	16.1
115.57281	5.8
136.27557	5.4
136.87135	5.1
152.99577	34.5
177.40669	5.9
177.51761	5.7
196.54089	5.6
224.34662	5.5
253.21672	15.4
255.23260	100.0
256.23596	11.8
279.23279	50.1
280.23679	7.1
281.24808	35.9
451.88245	5.7
453.68085	5.7
509.28641	39.5
620.65179	5.8
745.50085	67.0
746.50385	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	746.4484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85129	0.1
56.62630	0.1
59.01383	0.2
59.31657	0.1
61.98829	100.0
62.98537	0.2
78.95926	0.3
89.56553	0.1
90.70013	0.1
102.41573	0.1
102.78925	0.1
117.03510	0.2
119.08473	0.1
135.04535	0.2
145.03017	0.2
152.99574	0.3
167.42256	0.1
251.08574	0.1
255.23268	0.2
340.55798	0.1
559.65771	0.1
683.45520	0.4
747.38525	0.3
750.10828	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	747.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98830	5.6
76.51604	0.7
78.95896	1.0
80.96572	0.8
99.32642	0.7
122.40285	0.7
131.52756	0.7
135.04506	1.8
161.02420	1.8
206.57024	0.7
207.10223	1.7
220.23695	0.6
225.11261	1.6
225.19984	0.6
228.98370	0.8
235.21432	0.6
253.09364	0.8
255.23178	1.3
277.21658	2.9
303.23352	0.9
341.79028	0.7
455.17413	4.1
459.16806	0.8
469.11346	1.7
473.18561	3.5
474.18420	1.2
483.12756	1.5
496.13708	2.3
511.15695	1.1
512.13263	10.7
513.13574	2.1
525.14044	0.8
526.14954	11.5
527.15192	3.4
547.53998	0.7
569.17371	1.3
598.17432	0.9
599.17621	1.2
600.18549	2.0
601.19556	4.2
613.19299	1.6
614.20172	80.6
615.20416	20.0
632.17255	1.8
646.19397	9.7
647.19800	1.8
673.21704	1.4
687.22864	6.0
688.23932	1.2
746.49036	2.1
747.25201	58.5
747.48486	2.2
748.25403	16.5
748.39233	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4022
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12842	0.2
59.01373	0.7
61.98830	100.0
71.01412	0.4
71.51877	0.3
78.95920	1.1
81.00692	0.2
129.92935	0.3
133.03033	0.3
135.04549	1.1
152.99577	0.7
161.02457	1.6
183.01260	0.6
184.01471	0.3
191.31873	0.3
221.96669	0.3
254.22223	0.3
255.23384	0.5
277.21704	1.0
278.22110	0.8
279.23096	0.7
280.22839	0.3
280.82596	0.3
325.18372	1.3
326.18832	1.0
505.25885	0.3
506.26367	0.4
546.49048	0.3
690.30048	0.3
742.46436	0.5
743.47430	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	743.3698
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.8
60.99308	16.9
61.98830	8.7
69.18993	2.1
69.19397	0.6
71.01383	0.9
78.95899	0.5
87.00886	0.9
88.00410	3.0
88.98808	100.0
89.02446	13.1
89.99148	0.8
93.96281	0.3
99.68291	0.3
116.76260	0.3
137.32822	0.3
152.99564	0.6
153.09143	0.4
180.74998	0.3
255.23315	1.1
277.21765	0.5
311.16840	0.5
397.13708	1.4
415.14514	0.3
451.21796	0.3
484.84634	0.3
620.33240	0.3
743.38477	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
69.97899	1.1
69.98287	1.4
71.01005	1.0
71.01382	14.8
72.99314	1.0
98.20599	0.6
108.33434	0.5
114.99580	0.7
115.00385	18.7
119.05037	43.2
120.05368	1.2
132.90935	0.6
133.01440	50.2
134.01823	0.7
163.04016	100.0
164.04353	3.9
279.05066	5.4
595.17267	0.5
732.90448	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.471
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	3.4
61.98809	2.9
70.95542	2.7
70.95863	3.5
78.95484	3.7
78.95905	47.4
79.86662	2.0
86.58929	2.2
94.60380	2.1
98.19955	2.2
110.98502	6.0
137.83183	2.0
152.99579	49.3
154.55270	2.1
171.00636	4.1
193.56580	2.1
195.67493	2.2
227.03195	7.2
253.21707	29.9
255.23277	26.0
277.21713	84.2
278.22064	5.0
281.25064	2.4
291.73679	2.0
317.21146	2.9
335.22147	10.2
413.21179	3.7
423.25131	4.0
443.32489	2.5
505.25732	100.0
506.26074	8.0
507.74448	2.4
565.80365	2.6
741.46893	39.2
742.47394	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	741.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97867	0.9
57.03452	2.0
59.01378	27.7
61.98837	5.5
69.03452	3.6
71.00833	1.9
71.01377	6.4
71.05006	1.7
73.02933	1.5
74.84042	0.7
78.95890	1.3
83.05013	1.8
85.02939	2.2
87.00828	0.9
89.02433	2.9
95.01407	1.1
95.05000	2.0
96.95981	0.9
97.02915	0.9
97.06572	3.0
101.02438	5.0
109.02930	1.0
109.06600	1.1
111.08144	2.4
112.49823	0.8
113.02415	3.2
119.94772	0.8
121.02996	0.9
123.08156	2.8
125.09708	4.3
133.06572	1.3
135.04503	1.2
141.09210	2.8
143.07109	1.3
151.07596	1.8
151.11284	2.8
152.99576	1.4
153.12814	1.4
161.04485	1.7
161.09723	3.4
163.11302	1.1
167.10739	1.1
169.08698	13.3
171.10266	3.6
177.05516	1.1
179.10751	6.1
181.08588	1.0
183.10234	2.3
195.13930	1.2
197.11823	81.2
198.12152	3.8
199.09750	0.9
201.11240	0.9
205.12289	1.1
209.11858	1.6
211.13431	1.7
223.09760	3.1
223.13382	11.5
225.11282	2.0
235.08220	2.7
241.10876	4.9
253.09200	7.1
263.16464	1.3
273.18469	1.5
277.21619	1.4
281.17487	2.6
291.19699	3.5
299.18661	5.0
309.20767	3.5
328.46432	0.8
459.22424	2.0
477.19818	2.6
505.25928	2.1
629.27887	0.9
741.36987	100.0
742.37347	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	741.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.6
56.42212	0.6
57.03442	3.4
58.00573	0.8
59.01380	17.2
61.98841	3.8
69.03448	1.9
71.01384	5.6
71.05005	2.1
73.02934	1.8
75.11662	0.6
78.95908	5.6
81.03445	0.7
83.05042	1.1
85.02959	1.2
87.00864	1.0
89.02472	2.9
93.03448	0.6
93.17080	0.6
95.05025	7.0
97.06593	9.7
98.19783	1.4
99.00883	0.6
101.02473	3.9
109.06595	1.9
111.04509	0.7
111.08151	6.3
113.02444	1.6
121.06545	0.9
123.08160	20.5
125.02399	0.9
125.09753	1.6
133.06593	6.2
134.03722	2.6
135.04378	0.7
147.04630	0.7
151.07646	9.3
151.11174	0.8
152.99541	4.7
153.09164	0.9
153.12794	1.2
161.04535	1.4
167.10675	0.6
169.08694	26.7
169.12315	4.1
170.09052	1.1
171.10222	1.6
177.05525	0.9
178.02699	1.0
179.07002	0.7
185.11769	0.7
193.05063	5.6
195.06560	1.8
197.11839	31.6
198.12170	1.4
199.13422	1.0
201.59930	0.6
207.10214	0.7
209.09607	0.6
209.11821	1.1
211.13351	2.5
213.07693	2.1
227.03149	1.0
227.12801	1.0
229.51314	0.7
247.20695	0.7
253.09268	5.2
253.21640	3.3
263.20078	2.7
265.18192	0.8
273.18582	1.5
277.21741	11.0
278.22000	0.6
291.19644	3.5
309.20691	7.7
331.21793	0.7
431.15359	1.1
432.15607	0.7
449.16531	1.1
505.18729	1.2
505.25735	12.7
513.45758	0.6
579.32208	1.0
741.36969	100.0
742.37152	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	741.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64872	0.7
55.01888	0.6
57.03452	1.9
57.51483	0.5
59.01377	17.5
61.98833	3.1
66.35623	0.6
69.03458	4.9
71.00529	0.6
71.00911	0.8
71.01001	0.9
71.01388	7.2
71.05016	2.3
72.99288	0.9
73.02949	1.4
78.95905	1.0
82.85915	0.6
83.01384	0.6
83.05037	1.6
85.02960	2.2
87.00874	1.4
89.02457	3.4
95.01392	0.8
95.05036	0.6
97.06601	2.1
99.00864	1.0
101.02441	5.3
107.05051	0.7
109.06580	1.3
110.93484	0.6
111.08157	2.8
113.02432	3.2
113.90015	0.7
119.03478	0.9
123.08168	2.8
125.06086	1.0
125.09732	4.4
135.04512	1.0
137.09732	0.8
141.09273	1.5
143.07162	1.7
151.07658	1.0
151.11272	2.4
153.09178	1.4
153.12843	2.4
155.07028	0.7
161.04500	1.3
161.09724	2.7
169.08693	9.3
170.09052	0.6
171.10291	2.1
179.07153	1.0
179.10774	6.9
181.08678	1.2
183.10213	1.4
193.05147	0.7
197.11826	93.3
198.12148	4.9
199.73572	0.7
199.93120	0.7
207.10204	1.1
209.11867	0.8
223.09778	2.4
223.13339	3.6
225.11267	1.6
235.08240	2.2
235.17215	0.7
241.10788	4.2
253.09276	5.4
263.16586	0.6
273.18481	0.8
277.21695	1.8
281.17563	2.8
289.18051	1.2
291.19464	0.7
299.18549	1.1
307.19153	1.2
309.20834	1.5
341.23190	0.8
397.38715	0.7
459.18274	1.1
477.19818	2.8
488.77747	0.7
505.25415	1.5
536.44513	0.7
697.41266	1.1
723.35754	1.0
741.37018	100.0
742.37347	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	741.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.3
60.99307	17.3
70.44512	1.0
70.47611	0.3
71.01373	1.1
72.69097	0.3
81.98438	0.3
87.00874	0.6
88.00401	0.6
88.98807	100.0
89.02450	3.9
89.99136	0.6
93.98371	0.3
98.20627	0.3
101.02344	0.4
113.02467	0.4
115.00358	0.3
122.88604	0.3
125.02440	0.6
133.01414	0.4
135.04535	0.8
139.99567	0.3
157.86690	0.3
159.04520	0.4
213.43221	0.3
233.06688	0.4
293.08789	0.9
387.34354	0.3
511.59930	0.3
741.19348	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1881
Annotation	Quercetin 3-(2R-apiosylrutinoside)
Peak:m/z	Relative Intensity
65.00323	0.8
68.54269	0.5
69.79689	2.7
91.92889	0.5
98.20592	0.6
105.17722	0.5
107.01399	2.3
108.02196	1.8
121.02968	0.7
133.01396	0.8
135.00896	0.8
148.01703	1.4
151.00363	6.7
159.04517	0.6
163.00400	1.2
164.01146	0.6
178.99889	4.1
182.45308	0.5
193.96402	0.6
199.03912	0.8
209.01778	0.5
215.03563	0.9
226.02728	1.9
227.03497	2.7
235.00822	0.5
243.02962	10.8
244.03488	1.4
247.68678	0.7
254.02208	2.7
255.02977	29.0
256.03387	2.1
271.02457	62.1
272.02933	5.6
273.46396	0.7
299.01904	2.8
300.02731	100.0
301.03247	12.8
367.04340	0.6
741.18787	67.1
742.19165	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	740.4927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.1
61.98829	100.0
62.98532	0.1
83.05060	0.1
93.15662	0.0
98.19921	0.1
98.37567	0.0
208.38809	0.1
225.16312	0.1
226.16370	0.1
314.73175	0.1
367.43405	0.0
462.03589	0.1
508.21555	0.1
677.51331	0.1
678.50250	0.1
679.50940	0.2
680.50439	0.5
740.49207	1.4
741.49585	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.2
61.98830	8.1
63.18906	0.4
68.11526	0.4
70.99320	1.0
71.01385	0.7
74.20070	0.5
77.03965	2.8
78.95935	0.8
93.03465	0.5
112.63766	0.5
115.00387	0.4
116.92865	2.7
121.02957	100.0
122.03284	2.8
152.99591	0.8
165.01927	74.9
166.02231	2.3
171.10225	0.5
180.05786	1.1
181.06656	2.6
187.09796	0.4
191.03517	1.9
197.11839	0.5
209.11852	1.6
210.12172	0.8
225.05560	1.8
226.06238	0.4
253.21790	0.5
254.13481	0.4
269.12680	0.5
271.24100	0.4
277.21735	1.1
294.21451	0.5
313.07211	2.1
357.06171	9.9
358.06290	0.8
450.88474	0.5
505.25595	0.9
741.14746	4.8
742.14966	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.386
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00301	0.3
56.27920	0.3
56.60743	0.3
59.01395	0.7
59.26369	0.3
61.98829	100.0
62.98538	0.3
69.35832	0.9
69.36257	1.6
69.88082	0.3
71.01395	0.3
74.08738	0.3
78.95901	2.9
84.71690	0.3
96.96973	0.3
101.02427	0.3
135.08159	0.4
152.99644	1.1
171.10307	1.0
177.74619	0.3
179.07155	0.6
208.97745	0.3
209.11780	0.4
218.71689	0.3
224.89009	0.3
255.23279	1.4
277.21790	2.3
278.22101	0.8
279.23236	0.4
666.37695	0.3
740.40479	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70795	0.3
57.86263	0.3
59.01385	0.8
61.98831	100.0
71.01389	0.4
71.52573	0.4
78.95921	0.9
118.90693	0.3
128.56448	0.3
134.03799	0.4
135.04535	1.0
152.99561	0.7
161.02458	1.3
168.55467	0.3
179.03358	0.3
201.76968	0.3
207.10187	0.3
225.11362	0.3
233.48877	0.3
255.23174	0.7
267.66730	0.3
276.32425	0.3
277.21677	1.7
278.22098	0.8
279.22766	0.3
347.49252	0.3
505.25797	0.5
557.20355	0.4
703.48279	0.6
704.48535	1.8
740.43317	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.9
61.98831	100.0
62.98533	0.2
66.23799	0.1
71.01392	0.3
78.95921	0.2
85.78487	0.1
89.02460	0.2
99.92606	0.2
101.02469	0.2
114.38505	0.1
116.92865	1.8
117.92870	0.5
120.07381	0.1
152.99657	0.1
171.10321	0.2
173.85577	0.1
185.11858	0.2
211.13484	0.2
211.84557	0.1
213.11330	0.3
235.08443	0.1
249.18652	0.5
253.09340	0.2
277.21808	0.3
279.23221	0.1
281.24091	0.1
315.64130	0.1
398.14124	0.2
399.14044	0.1
641.51959	0.1
654.34253	0.1
686.32855	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	740.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69214	0.2
55.00421	0.2
59.01383	1.5
61.98831	100.0
62.98524	0.2
63.97868	0.2
64.11224	0.2
71.01385	0.4
71.51700	0.2
78.95919	0.3
89.02429	0.3
94.11063	0.2
110.98584	0.2
116.11938	0.2
116.92887	0.3
117.92945	0.2
123.89734	0.2
131.79758	0.2
137.91345	0.2
149.54588	0.2
152.99605	0.3
173.63417	0.2
173.64848	0.2
195.10402	0.3
197.11870	0.7
198.65947	0.2
207.89325	0.2
243.77682	0.2
249.18608	0.7
253.09302	0.3
277.21835	0.6
398.14142	0.2
709.38159	0.5
741.40314	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.428
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	9.7
60.26374	1.3
61.98827	12.0
65.93830	1.0
71.01383	10.2
71.05018	1.9
78.95906	13.9
83.01411	1.0
85.02948	1.3
87.00838	1.1
89.02454	2.8
95.05035	1.4
96.96008	1.4
96.96979	2.4
97.02950	3.3
97.06573	1.4
99.00877	11.2
101.02438	5.2
108.61981	1.1
109.06580	1.7
113.02444	3.4
115.04028	1.8
122.08720	1.1
125.09705	5.0
127.26498	1.0
152.99605	7.4
154.46936	1.0
161.09689	1.3
163.11270	6.2
171.10292	11.8
181.12370	13.1
197.11806	1.8
199.13397	24.2
201.09326	1.4
201.11195	1.6
207.10266	27.6
208.10533	1.7
223.71857	1.1
225.11325	64.5
226.11684	2.8
235.08031	2.1
243.12331	14.4
253.09393	6.0
277.21725	59.2
278.22061	6.0
303.23587	1.4
426.98956	1.1
461.20496	12.1
479.21585	2.7
721.42096	5.3
739.42786	100.0
740.43225	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	739.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32994	0.7
59.01379	13.3
59.42156	0.7
60.60603	0.7
61.98830	28.6
69.03451	1.1
70.37392	1.3
71.01374	5.4
75.75729	0.9
78.95903	8.2
80.96538	0.8
87.50676	0.9
89.02457	1.8
94.53488	0.8
101.02429	3.1
103.43473	0.8
116.92946	0.9
116.93956	0.8
119.03448	1.0
121.10213	1.7
133.02945	1.1
145.05006	0.7
152.99570	3.9
153.09229	3.0
157.08617	0.9
161.04536	1.1
165.09190	12.0
171.10286	1.9
183.10260	34.7
184.10587	1.5
207.10178	1.1
209.11868	0.8
225.11304	1.2
235.08202	5.5
249.18341	1.2
250.18861	1.0
253.09288	10.1
255.23314	3.2
256.23505	0.9
277.21713	100.0
278.22104	6.0
279.23175	1.4
291.85373	1.0
303.23471	1.1
367.86920	0.8
703.48450	1.2
721.11426	0.9
739.40204	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	739.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.3
59.01381	9.8
61.98594	0.8
61.98829	9.3
71.01379	7.0
71.04999	3.1
73.02966	1.2
74.28467	0.9
78.95904	8.3
81.03477	1.0
83.01368	1.2
83.05009	1.6
85.02951	1.7
87.00874	2.5
89.02442	3.2
96.96004	2.0
96.96940	2.1
97.02937	4.2
97.06573	2.7
99.00886	13.1
99.92599	1.3
101.02432	5.6
109.06590	4.6
110.03754	1.7
113.02438	2.3
115.92093	2.8
116.92830	1.8
119.03473	1.3
123.08121	1.7
125.02396	1.0
125.09724	6.9
135.08176	1.3
152.99579	3.9
153.12802	1.2
161.04527	1.3
163.11307	9.7
171.10258	7.3
181.12335	12.3
199.13358	10.5
201.09164	1.3
207.08359	1.9
207.10258	33.6
208.10684	2.5
225.11311	45.1
226.11678	2.4
231.19357	1.3
235.08133	3.0
243.12340	7.4
249.18605	8.3
253.09276	6.0
253.64027	1.1
255.23308	1.5
277.21704	75.5
278.21994	7.8
279.22934	1.2
443.19055	3.4
461.20081	6.2
479.21320	1.7
670.11176	1.0
681.38824	1.3
693.38800	2.5
721.42542	6.1
739.42725	100.0
740.43018	16.0
757.05292	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82908	1.9
54.14846	1.8
55.63080	1.9
57.50871	1.8
59.01378	19.6
61.98832	85.3
69.03454	5.4
71.01376	5.8
78.95898	9.3
80.96471	2.9
85.02943	2.9
89.02465	3.0
98.19775	4.3
101.02441	6.8
113.02478	3.1
131.48816	2.0
149.09567	2.0
152.99564	4.9
161.02370	2.2
161.09692	2.7
179.10782	7.3
183.10291	2.4
183.13907	5.9
197.11821	71.3
198.12196	4.6
211.13379	87.1
212.13712	5.0
229.46332	2.2
235.08183	3.9
241.10831	3.0
249.18594	40.7
250.18951	2.6
253.09192	10.6
255.23338	8.8
277.21741	8.1
278.22104	3.9
279.23264	30.4
447.22256	7.5
475.61612	2.1
579.41040	2.1
600.54657	2.4
703.48090	2.9
739.42725	100.0
740.43420	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	739.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.7
57.22633	1.4
59.01374	23.9
61.98833	28.0
69.03442	6.9
71.01403	9.3
71.05029	2.1
71.52720	3.0
73.02945	2.4
75.58520	1.5
78.95913	1.8
81.03465	2.5
82.51002	1.5
83.01368	3.3
83.05024	2.7
85.02938	3.0
89.02442	3.9
95.05016	2.4
96.96011	20.2
97.02921	2.8
97.06550	5.5
101.02427	7.3
109.06594	2.3
111.08100	2.3
113.02445	4.7
119.03486	1.7
123.08214	2.3
125.09702	2.2
135.08128	2.2
139.07588	2.2
139.94279	1.6
153.09329	1.8
153.12798	3.4
161.09685	4.1
163.07570	2.1
163.11259	3.0
171.10301	3.1
173.02908	1.8
174.58678	1.6
179.10797	8.7
181.08684	5.6
185.11726	2.7
197.11818	98.4
197.47488	1.6
198.12224	3.3
207.10191	3.7
217.15895	5.3
221.11778	3.9
223.09758	3.1
223.13242	4.0
225.11253	2.2
239.12888	2.5
241.10745	6.5
253.09279	5.6
261.14957	2.2
269.87537	1.8
279.15948	1.8
286.68552	1.6
309.20624	2.4
477.19830	4.6
540.27826	2.2
589.22693	2.0
641.28259	7.4
717.27557	1.9
739.35425	100.0
740.36066	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	739.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	4.4
59.01381	25.8
60.47080	1.8
61.98842	9.9
62.04736	1.5
69.03441	2.9
71.01380	10.3
71.51648	1.6
78.95896	1.9
83.01381	3.6
83.05024	4.3
85.02934	3.1
87.93958	1.6
89.02451	2.2
95.05008	7.8
97.02941	2.8
97.06571	14.8
101.02430	4.1
107.82166	2.0
109.02869	2.3
113.02477	2.2
123.04524	4.1
123.08160	21.9
125.09679	7.8
133.06543	4.5
135.08153	2.5
137.09712	2.5
149.09669	3.0
151.07639	10.2
151.11290	1.8
159.86293	2.0
162.80461	1.9
163.11263	3.7
167.10724	2.2
169.08707	32.2
169.12325	4.1
171.10164	3.3
179.03511	2.0
179.26630	1.8
181.12421	1.9
185.11819	3.3
191.14400	2.4
193.08736	2.6
195.06638	2.0
197.11832	4.2
207.10272	4.4
209.11812	12.1
211.13316	3.5
221.11783	8.6
225.11394	2.6
235.08162	2.7
239.12839	6.4
245.19028	5.0
253.09209	6.1
281.17484	3.8
289.17981	9.9
291.19675	2.4
307.19360	9.4
309.20789	2.8
359.27814	1.7
641.28046	6.1
739.35339	100.0
740.35797	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	739.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.2
61.98813	1.8
69.04696	0.4
69.15782	4.5
71.01375	1.2
75.73614	0.4
76.86110	0.4
85.02953	0.6
92.20954	0.4
93.03426	0.5
96.96022	0.5
101.02395	0.6
104.88204	0.4
105.95570	0.4
108.02160	1.8
109.02943	1.1
115.00385	0.4
119.03507	0.4
121.02953	3.7
123.04506	1.9
133.01456	0.6
133.02930	0.5
134.03770	0.7
134.69444	0.4
135.04523	3.8
136.01659	20.0
137.02467	2.6
143.05014	0.5
143.75514	0.4
145.02969	1.0
146.03735	1.0
147.04518	1.3
149.02417	0.7
150.03215	1.1
151.04013	18.2
152.04344	1.1
159.04515	2.2
160.05260	1.2
161.02437	0.4
161.06044	1.6
162.03230	0.6
163.04010	1.5
165.05524	0.8
170.69307	0.4
172.05330	1.9
173.06062	1.4
174.03156	0.8
175.03992	1.8
175.07631	0.5
176.04738	0.9
177.05537	0.8
187.03957	0.7
187.07625	0.8
188.04820	0.9
189.05615	2.8
190.06334	3.1
191.06982	1.0
193.05023	1.1
201.05577	0.7
203.07025	0.4
205.08649	0.7
225.05637	0.7
231.10240	1.4
236.05171	0.4
238.06184	0.5
240.04236	0.9
241.04974	1.4
251.07083	1.0
252.04100	0.7
253.05061	2.8
254.05765	0.8
255.03223	0.4
255.06737	0.8
264.04138	0.6
265.04977	1.4
266.05875	1.7
267.06577	1.0
268.07196	0.5
269.04550	6.4
270.05185	0.7
278.05746	0.6
279.06577	1.6
280.07364	2.3
281.04523	8.8
281.08096	2.1
282.05063	0.6
283.06155	1.1
284.06952	4.5
285.07385	0.9
291.06699	0.8
291.10138	0.4
292.07388	0.6
293.08267	1.3
295.06189	0.9
295.09702	0.7
296.06934	9.2
297.07318	1.4
298.08478	1.1
299.09253	6.0
305.08133	1.0
307.06241	0.9
307.09650	0.7
309.07455	0.9
311.09283	6.6
312.09586	0.6
313.11166	0.6
321.07623	1.7
323.09241	1.8
324.10126	2.1
335.09177	0.8
336.10028	2.8
338.11533	0.7
339.12421	3.2
351.12418	1.1
355.11755	0.6
399.08698	0.4
399.14569	2.3
409.11322	0.5
411.12897	0.5
415.00974	0.5
415.11407	0.7
427.11792	2.3
428.12561	0.5
429.13583	0.6
430.14349	0.7
439.11655	1.0
442.14182	2.6
443.14133	0.6
445.16827	0.7
457.11551	0.7
457.16531	1.8
459.14322	0.6
460.15207	1.8
460.80777	0.5
469.16449	0.8
472.15750	3.2
475.18301	9.3
476.18005	1.2
487.13721	5.2
487.18207	3.8
488.13812	0.6
490.16269	2.6
491.16727	0.6
499.17587	0.5
502.16196	5.3
503.16788	0.7
505.18665	59.4
506.18930	8.0
517.18652	100.0
518.18964	13.3
535.19739	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.7
57.03473	0.5
58.00592	1.1
59.01382	100.0
60.01706	0.9
63.71828	0.5
69.03445	1.3
69.77463	3.1
71.01382	28.1
72.99314	1.0
73.02948	48.1
75.00875	1.5
81.03468	0.6
83.01392	12.1
85.02931	3.8
87.00863	0.8
89.02446	8.8
95.01399	1.9
97.02949	0.9
98.20762	0.6
101.02444	40.5
113.02452	14.3
119.03507	5.0
120.70667	0.6
125.02460	2.2
131.03479	4.2
142.06671	0.9
143.03520	3.8
149.04547	8.7
155.03555	1.7
161.04561	13.5
162.04871	0.6
182.37180	0.6
203.05598	2.7
221.06598	3.2
288.04666	0.7
301.03464	0.6
354.43179	0.5
448.09607	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10470	0.1
57.32048	0.1
59.01383	0.3
61.98831	100.0
62.98532	0.1
68.67730	0.1
68.99586	0.3
71.01406	0.1
79.74906	0.1
89.02462	0.1
112.98594	0.2
178.05516	0.1
211.21512	0.1
225.39302	0.1
239.14146	0.1
278.22183	0.1
399.14059	0.2
456.69260	0.1
624.32654	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.1882
Annotation	UNII-7NMJ4SI4P6
Peak:m/z	Relative Intensity
59.01381	4.6
61.98815	1.7
65.00307	1.1
69.03466	1.4
69.67240	3.8
83.01379	1.5
98.20578	0.9
107.01376	2.2
115.00340	0.9
117.03455	3.1
119.05042	2.1
125.02457	1.0
132.02121	1.3
133.01469	0.7
135.00851	1.8
135.04474	4.0
143.04974	1.1
145.02946	9.4
151.00395	4.3
163.00264	1.3
163.04030	2.2
178.99928	1.0
183.04515	1.9
187.03983	1.3
200.04787	1.1
203.10733	1.1
211.04039	2.0
227.03470	38.9
227.10826	1.0
228.03940	4.0
229.04987	2.3
239.03412	1.2
255.02979	77.6
256.03574	10.4
257.04449	3.0
283.02420	3.0
284.03256	100.0
285.03949	28.5
286.04413	1.2
309.04099	1.2
373.16428	6.0
413.08676	2.6
455.19922	1.6
487.17905	1.2
499.17502	1.8
517.31427	3.0
533.29065	1.0
535.31641	1.2
575.14337	1.3
582.07056	1.1
593.15082	49.3
594.15338	6.3
618.26331	1.5
739.18756	44.1
740.18958	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	738.355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.2
61.98828	100.0
62.98524	0.1
63.11781	0.1
90.29658	0.1
98.20625	0.2
101.02464	0.1
165.65158	0.1
166.41039	0.1
246.96616	0.1
250.24911	0.1
254.86241	0.1
264.11487	0.1
278.22043	0.2
366.57419	0.1
397.13382	0.1
399.13876	0.2
403.43671	0.1
492.92535	0.1
704.08783	0.1
707.18506	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.131
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93690	2.4
60.42429	2.4
66.95255	2.4
71.01376	13.9
71.51836	3.7
80.04228	2.2
96.75402	2.1
115.00368	32.8
133.01428	37.3
135.04451	2.4
135.29733	2.4
145.03021	3.2
147.04558	6.6
159.04480	3.0
161.02422	5.5
163.04019	4.4
173.02396	2.5
174.03174	4.9
175.03960	8.1
178.94225	2.7
185.06094	4.2
187.04074	5.3
189.02083	3.8
198.03212	2.5
201.01927	4.5
203.03435	2.7
204.04280	2.6
211.04036	4.6
212.04727	11.2
212.06993	5.4
215.03539	6.1
229.01430	5.8
239.03395	14.2
240.04288	18.2
242.08221	10.0
255.02791	2.8
258.07797	4.5
268.06104	10.2
269.06924	8.3
270.07675	9.5
284.05533	8.3
286.07196	7.5
336.01010	2.3
356.06888	3.0
372.11905	2.8
400.11746	5.6
414.07391	4.6
418.13098	13.5
444.10852	53.2
445.11053	5.6
462.11938	100.0
463.12170	13.1
470.08578	9.5
488.09848	69.5
488.16986	3.3
489.10065	9.6
506.10770	19.4
622.11768	4.1
749.15863	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	737.5182
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87409	0.6
59.01112	1.0
59.01380	14.4
61.78184	0.6
63.61620	0.6
64.62482	0.6
65.32169	0.6
75.43144	0.6
81.03449	4.5
83.05027	12.1
92.12758	0.7
105.58870	0.6
125.07170	1.1
152.89275	0.7
207.15022	0.9
213.53185	0.7
224.17621	2.1
225.16058	12.7
226.16428	0.8
229.26424	0.6
309.21869	0.9
333.22958	0.9
341.29187	0.8
367.27237	1.8
433.31647	1.2
450.34332	1.0
451.32907	6.9
465.20306	0.7
550.43414	0.9
593.43994	0.8
611.16187	0.8
659.48633	1.8
677.49670	100.0
678.50061	19.2
678.59485	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.411
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23016	2.3
58.98958	2.7
59.01382	34.3
61.98828	40.7
66.28225	2.7
71.01380	23.2
75.32095	2.3
78.95900	4.3
83.01393	3.3
85.02950	3.2
87.00859	2.5
101.02441	5.8
106.13821	2.7
113.02425	4.2
161.04597	2.5
177.01819	2.5
209.11922	5.3
223.17041	5.6
225.11183	3.1
237.64844	2.7
253.09203	3.4
302.06467	2.7
409.22293	2.9
427.23495	5.3
469.24072	4.2
693.42126	100.0
694.42523	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4119
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.6
59.01381	20.4
61.98820	3.0
65.33518	0.7
69.03458	5.0
69.23674	1.3
69.24071	5.1
71.01382	4.9
71.04991	0.8
78.95908	11.9
83.01386	0.9
83.05051	1.0
85.02966	1.1
89.02457	3.1
91.57119	0.6
96.96035	6.1
96.96949	2.7
97.06565	0.7
101.02432	3.1
111.08117	1.0
113.02464	1.7
115.73648	0.6
143.03452	0.9
147.04570	0.9
147.11794	0.7
152.99590	3.8
153.09200	1.2
161.04520	0.8
163.11279	1.2
165.12846	4.8
169.12312	3.7
171.10295	1.3
179.05751	0.9
181.12315	6.3
191.10770	9.4
197.11829	6.1
201.09148	1.3
205.19670	0.9
209.11818	100.0
210.12183	4.4
223.09703	1.1
235.08266	1.6
245.08180	1.4
249.18578	57.4
250.19034	3.5
253.09262	9.8
255.23291	6.9
269.17548	0.8
277.21695	13.5
278.22058	1.2
325.77234	0.7
427.19803	1.5
445.20746	16.5
446.21005	1.9
560.09601	0.7
637.14209	0.7
677.39331	1.9
694.38214	0.9
737.41119	14.9
738.40424	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	737.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.6
57.03458	1.0
59.01380	7.6
61.98841	1.9
64.88943	0.4
66.95309	0.3
67.01893	0.7
69.03461	4.7
71.01379	6.1
71.05013	1.5
73.02940	0.6
78.95890	2.9
83.05011	0.7
85.02949	1.7
87.00871	1.3
89.02436	2.4
95.01383	0.5
96.96965	0.5
97.02946	0.7
97.06596	0.9
101.02439	4.0
111.04520	0.5
111.79332	0.4
113.02452	2.0
119.03514	0.7
119.04969	0.3
123.08169	1.1
125.09730	1.8
137.09830	0.4
151.11304	2.7
152.99577	1.4
153.12903	0.7
161.04529	1.1
161.09746	3.7
169.12332	4.9
171.10228	0.7
179.10779	8.3
197.11835	49.2
198.12122	2.5
207.10205	0.4
209.11780	1.9
223.09833	2.1
235.08147	1.2
241.10794	2.3
249.18633	3.1
253.09236	4.2
255.23264	1.8
259.20590	0.4
263.39169	0.4
277.21710	55.1
278.22076	4.3
374.77185	0.4
391.22900	0.5
459.18689	1.0
477.19611	1.5
552.62006	0.4
719.40320	0.7
737.41125	100.0
738.41443	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.9
56.05536	0.4
57.03447	0.9
59.01374	7.7
61.98816	1.6
67.01881	0.5
69.03450	4.0
71.01389	5.8
71.05035	1.9
72.99298	0.7
73.02943	0.8
78.95898	3.7
83.01413	0.7
85.02955	1.2
85.65542	0.5
87.00857	0.9
88.34612	0.4
89.02452	3.1
97.02940	0.7
98.20651	1.4
101.02435	4.6
113.02448	1.8
119.03539	0.6
123.08189	1.1
125.02457	0.5
125.06120	0.4
125.09696	2.1
149.09749	0.5
151.11276	2.2
152.99580	1.3
153.12863	1.5
161.04552	1.0
161.09734	3.6
169.12335	1.4
171.10315	0.6
179.10765	7.0
197.11821	91.5
198.12172	5.4
205.08662	1.4
211.75853	0.6
223.09727	2.9
235.08180	0.9
241.10806	3.7
249.18387	0.6
253.09195	3.4
255.23383	2.1
277.21710	31.4
278.22086	2.6
294.27209	0.4
300.18246	0.5
315.14255	0.6
398.00455	0.4
459.18768	1.0
477.19913	3.1
586.32513	1.2
719.39954	0.8
737.41107	100.0
738.41394	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	737.4115
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	16.2
61.98816	4.3
69.03471	7.6
71.01375	5.6
71.52189	1.4
73.02946	1.3
78.95901	3.4
80.96523	1.3
81.03466	1.1
85.02936	1.1
87.00874	0.9
89.02443	2.1
101.02430	3.4
101.66510	0.9
107.05077	1.1
111.04519	4.2
113.02392	1.2
116.34753	0.8
119.05006	0.9
135.04515	1.6
135.08133	2.4
137.09642	4.3
145.06610	1.3
147.04492	2.1
152.99561	1.1
155.14337	0.8
161.02361	1.9
161.04521	1.5
163.07645	69.6
164.07962	3.4
181.08698	46.6
182.09012	1.6
185.58022	1.1
195.10234	1.6
201.09163	1.8
235.08206	6.5
253.09247	10.4
255.23262	2.8
277.21713	100.0
278.22089	7.1
413.24551	1.1
737.39679	4.3
738.40442	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	8.0
60.99007	1.0
60.99307	16.3
61.98829	10.9
67.68854	0.7
69.66766	4.2
69.68189	0.6
71.01374	1.6
71.79279	0.6
73.02943	0.8
78.95901	1.1
84.61711	0.6
85.02959	1.0
87.00887	0.9
88.00407	2.2
88.98804	100.0
89.02441	10.7
89.99112	0.8
95.05023	0.7
101.02441	0.8
102.65924	0.7
135.04544	1.0
137.67499	0.6
139.11174	1.1
139.76035	0.7
209.11899	1.1
244.75981	0.6
261.25751	0.6
397.13358	1.0
675.41235	1.3
693.42126	5.9
694.42706	1.3
737.22559	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
58.65277	0.4
59.01374	2.0
61.98832	100.0
71.01398	1.8
71.52026	0.5
78.95926	0.5
80.91687	5.6
82.95414	3.3
84.71755	0.4
87.00881	0.5
89.02445	0.9
101.02470	1.4
104.03072	0.4
122.98586	0.6
235.08391	0.6
255.23354	3.9
256.23737	1.0
277.21820	1.8
337.23737	0.6
397.13480	2.6
398.13962	1.2
415.14709	0.8
419.11993	0.7
437.12927	1.0
466.30234	0.4
511.16327	0.5
512.13702	0.6
526.15442	0.7
527.16193	0.6
614.20459	3.6
615.21277	1.4
617.21088	1.4
618.20740	1.4
676.35492	1.3
677.33685	0.5
736.21368	1.2
736.40942	1.4
737.21405	0.6
762.61346	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.4083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	13.8
61.98826	43.7
62.26530	9.0
70.30531	9.4
71.51540	13.4
78.95914	55.0
102.49239	9.8
116.92776	12.6
135.04524	24.0
152.99480	12.5
161.02441	24.5
163.11499	12.3
179.89185	12.6
196.89474	30.5
207.10237	37.8
235.08217	16.2
253.09177	10.9
255.23264	100.0
271.25912	11.2
645.34033	10.7
699.43561	65.2
735.27863	12.3
735.40210	21.1
761.67999	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	735.399
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	2.1
61.98822	1.8
63.96236	1.3
67.26063	0.9
69.03460	1.2
70.02779	0.8
71.01390	8.4
73.02901	1.7
78.95898	7.9
78.98587	7.7
79.95741	15.4
80.96518	70.3
81.03428	1.0
82.44508	1.0
85.02934	3.7
87.00862	2.9
94.98089	15.7
96.96002	1.7
97.02914	2.1
101.02417	2.8
106.98061	2.8
110.98499	3.5
119.23548	1.0
122.97591	4.8
125.02390	3.9
134.97600	5.2
136.99117	1.6
148.99144	6.3
152.98579	5.1
152.99678	1.7
164.97557	1.1
164.98633	11.6
167.01178	1.5
170.31354	0.9
171.10205	2.0
177.05553	1.1
197.11848	2.4
206.99617	3.2
224.98701	1.3
225.00740	20.2
229.14619	1.0
253.21768	1.1
255.23280	8.2
256.23511	3.1
277.21664	4.5
279.23306	1.8
281.24835	1.2
303.23236	3.4
304.23666	1.9
327.21548	1.0
328.22116	0.9
329.23099	2.6
371.23959	1.1
479.15817	2.2
489.42502	1.0
497.24603	1.0
498.25220	2.5
499.25757	1.7
537.26855	1.1
699.44684	1.0
735.39551	100.0
736.40186	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3964
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49188	1.0
59.01380	42.1
61.98834	16.7
69.03449	1.0
69.30454	3.7
69.30882	4.2
69.64114	0.9
71.01378	11.9
71.51633	0.9
73.02946	4.4
78.95891	1.8
83.01385	2.2
85.02966	5.1
96.96007	1.3
97.06564	2.1
101.02424	5.9
113.02477	5.1
127.42721	1.0
137.09659	1.2
161.04509	2.3
163.11270	2.7
182.87639	0.8
187.15010	1.2
189.12828	3.3
191.14461	4.2
203.14433	1.1
205.15945	13.5
207.10361	1.1
207.17558	1.7
232.14668	9.2
233.15431	19.7
234.15892	1.3
235.13399	18.3
235.16974	4.9
247.13411	2.5
249.14938	36.9
250.15709	27.8
251.16486	20.1
253.17975	1.5
282.14679	6.2
397.22324	1.9
415.23502	2.7
443.35068	1.8
457.24411	7.0
605.40375	2.0
643.22614	2.0
647.41449	4.1
648.43958	1.1
649.39459	7.8
691.40613	100.0
692.40875	16.3
735.39459	2.9
736.40784	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3809
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.9
58.00602	1.5
59.01381	36.6
61.98560	1.3
61.98827	10.6
65.25679	1.0
69.03435	2.5
71.01381	35.1
72.99291	2.2
73.02946	6.8
75.00852	1.4
81.03446	1.9
83.01405	5.5
85.02942	10.8
87.00875	22.8
89.02442	25.2
91.03993	1.2
95.01377	2.6
96.96009	2.9
97.02950	6.5
98.19811	1.6
99.00870	1.9
100.38806	1.1
101.01801	1.9
101.02443	33.9
103.00330	1.3
109.06618	1.4
113.02452	18.6
119.03491	7.5
125.02456	17.8
131.03470	3.0
135.04576	1.7
136.14241	1.0
137.02357	1.8
143.03500	9.1
151.00201	1.1
161.04532	8.3
167.03465	1.4
179.03531	1.1
179.05605	4.9
235.08237	18.4
253.09311	12.3
263.07773	1.2
277.21719	100.0
278.22101	8.2
287.07852	7.5
305.08847	6.5
312.87436	1.1
323.09833	4.0
350.09512	1.2
357.01013	1.3
379.12317	1.2
397.13486	85.9
398.13809	5.8
415.14563	61.2
416.02682	1.3
416.14725	5.4
451.20410	1.3
675.35596	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.4662
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	3.3
57.95841	2.0
61.98821	4.9
69.03442	2.9
69.97099	3.1
69.97487	6.5
71.01385	5.8
78.95902	60.0
78.98595	4.7
79.95737	11.5
80.96515	46.0
83.05064	2.0
85.02956	9.9
87.00865	2.6
94.98088	12.5
96.95988	3.8
96.96980	2.6
97.02944	2.2
98.20624	2.3
100.97198	2.1
110.98534	33.4
115.04047	2.5
117.29898	2.0
127.11283	4.5
134.97592	2.6
137.09697	2.4
139.11247	5.2
148.99129	4.5
152.98518	4.4
152.99577	7.5
164.98586	9.2
167.01141	15.4
171.10275	41.1
183.13921	7.4
183.50352	2.1
185.02203	3.7
211.13368	30.5
225.00740	9.7
229.14433	19.9
245.05679	2.0
253.21701	27.2
254.21970	2.7
255.23296	90.5
256.23575	6.7
277.21686	5.2
279.95184	2.1
327.21716	45.9
328.21991	4.9
329.23328	31.4
330.23776	2.0
423.25269	3.8
495.23303	2.4
496.24387	4.6
497.25302	85.4
498.25626	7.4
733.36676	25.9
733.48474	100.0
734.36786	6.0
734.46698	16.2
755.17889	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	733.365
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	3.1
57.03434	2.3
58.00585	1.1
59.01378	46.1
60.54436	0.9
69.03452	1.8
69.99136	2.6
69.99529	1.6
71.01381	36.6
72.92784	0.9
73.02944	12.3
75.00867	1.2
81.03448	1.3
81.84311	1.0
83.01374	7.8
85.02945	17.6
85.03452	0.9
87.00868	3.5
89.02413	5.0
95.01397	4.5
96.95999	5.5
97.02943	3.1
98.19899	1.5
99.00885	4.9
101.02439	24.4
111.00889	5.4
113.02449	15.7
119.03465	1.2
124.01668	1.5
125.02460	7.0
133.01408	1.4
133.03014	1.3
135.02995	1.0
135.04518	5.3
141.02017	1.9
141.30907	0.9
143.03511	6.0
144.05981	1.0
148.03989	1.1
159.02998	2.3
161.04539	5.9
177.01962	1.0
187.85941	1.0
194.00078	0.9
229.06261	2.0
259.82764	1.1
265.70636	0.9
467.30087	2.8
485.31247	6.2
629.35400	100.0
630.35687	17.0
647.36438	55.1
648.36731	9.7
689.37537	15.7
690.37775	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.3813
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	32.4
61.98828	8.8
71.01387	6.2
71.52076	0.5
72.99333	0.5
73.02947	1.7
75.60137	0.4
76.21082	0.4
81.03459	0.4
83.01382	0.7
85.02956	2.6
88.98891	0.4
95.04990	0.6
96.96009	0.6
99.00860	1.0
101.02431	4.7
113.02473	2.0
115.58838	0.4
116.92861	0.5
125.02454	0.9
125.92355	0.4
135.04535	1.0
144.05797	7.1
146.07370	1.8
147.08112	0.5
159.04494	0.5
161.04601	2.3
161.05811	0.5
161.09706	1.5
171.10300	0.5
187.09587	0.7
187.11282	13.8
188.11667	0.6
189.12846	16.0
190.13165	0.7
203.14377	0.9
205.08685	8.3
205.15962	100.0
206.16304	6.7
219.10162	0.5
231.10190	0.4
233.11797	0.6
235.16914	1.2
247.13437	2.3
248.14120	8.2
249.14946	30.2
250.15254	1.4
280.13229	0.7
335.22186	0.8
379.21198	1.3
397.22223	3.9
398.22675	0.7
425.30289	0.6
439.23434	1.8
441.33691	1.9
472.49982	0.5
483.29681	0.6
485.30731	0.5
564.91235	0.4
585.38123	1.0
603.39331	2.4
645.40149	4.3
646.40393	1.4
689.38940	7.5
690.39636	1.8
733.39246	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	37.6
59.56763	1.8
59.86126	1.8
61.98830	34.0
62.50390	2.0
71.01392	3.7
71.51978	2.4
78.95905	2.8
95.96980	2.0
101.58459	1.9
142.36551	2.2
166.87959	1.9
187.26543	1.6
197.11826	2.4
210.03413	2.1
469.14587	2.3
481.15155	6.3
482.15506	2.7
496.17554	6.4
497.18457	4.6
523.15961	4.3
541.17719	3.0
555.18732	7.5
557.20557	2.8
567.18536	2.6
568.18933	2.5
583.21240	3.3
586.20801	5.1
587.21448	35.0
588.21558	8.0
611.18091	2.8
626.20270	5.4
632.20624	2.8
641.22546	100.0
642.22565	19.7
646.22968	5.4
659.23840	14.5
673.25116	41.7
674.25354	7.2
733.26978	11.7
733.38574	2.9
734.27185	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	733.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.7
59.01375	41.2
60.01714	1.9
61.98825	3.4
64.10072	1.1
69.19099	4.3
69.19521	7.1
71.01378	17.0
73.02944	11.5
78.95902	2.1
80.17769	1.2
83.01394	3.4
85.02944	5.3
87.00908	2.0
89.02449	3.9
96.96035	4.9
101.02450	14.9
102.02799	1.3
108.02169	1.8
109.02959	13.5
111.00942	1.4
113.02434	7.7
115.00410	2.4
119.03535	1.9
121.02966	2.3
125.02414	2.8
131.03514	2.7
131.05006	1.7
132.02148	4.0
133.01428	1.8
133.02966	3.2
134.03764	1.4
135.04543	17.7
137.02451	3.0
143.05040	6.1
145.02913	2.4
146.03667	1.8
147.04501	5.5
149.04544	3.0
149.26074	1.4
155.11845	2.2
158.03687	1.8
159.04514	27.8
161.02457	7.3
161.04565	6.0
161.06010	2.2
163.00389	1.7
163.03957	1.3
164.01180	1.4
167.04877	1.6
171.04512	13.9
172.04912	1.2
173.02397	3.2
173.06119	1.7
174.03224	4.1
175.04008	11.5
176.01118	5.4
177.01852	2.1
177.05531	2.0
183.04477	2.1
185.06071	4.9
187.03983	6.9
189.05502	2.7
195.04460	2.7
196.05157	2.0
197.02393	3.5
197.06036	2.5
198.03172	7.2
199.03989	63.2
200.04431	2.8
201.01962	4.0
203.03500	5.4
203.05659	3.3
211.03958	4.6
212.04707	3.6
213.02058	2.3
213.05589	8.3
214.02637	2.9
215.03464	8.3
216.04271	2.8
217.05042	27.0
218.05507	1.3
221.06639	5.5
223.03813	2.5
224.04768	1.9
225.01898	13.9
225.05450	2.0
226.02667	2.8
227.03513	4.6
237.05573	1.5
239.03519	4.5
240.04228	8.7
241.01308	2.3
241.05048	39.6
242.02194	3.7
242.05438	2.3
243.02963	100.0
244.03339	6.4
245.04520	2.3
253.05028	2.4
257.04483	3.8
263.07605	5.3
264.07889	1.2
265.04987	2.3
267.02872	7.6
268.03503	1.4
269.00931	3.0
281.04590	1.7
283.01282	2.7
283.06052	19.9
285.04025	69.6
286.04401	4.1
289.05313	1.4
293.04575	2.3
305.04950	1.6
305.08643	2.6
309.04062	3.5
311.01904	5.8
312.07739	1.4
317.04529	1.3
317.08197	2.1
319.06070	1.9
321.03860	1.3
323.01572	1.4
327.05035	3.5
331.06348	2.0
333.04126	1.6
353.02991	10.3
357.07736	2.4
361.06998	1.7
371.05557	1.8
375.05130	3.7
379.07886	1.2
381.07703	1.7
385.06940	1.3
398.07724	1.7
399.08640	4.4
401.06766	4.0
403.08203	12.7
404.08331	1.5
405.06110	20.6
413.06381	1.6
419.23288	2.0
419.73904	1.5
425.07117	1.9
429.05869	1.9
439.08243	2.6
441.10223	6.9
443.07507	5.8
447.07394	4.9
455.31747	7.7
456.31766	4.3
481.09610	1.6
483.10880	4.1
485.08713	13.6
491.11444	2.3
493.09241	4.5
509.08826	2.2
511.06259	1.9
523.10065	2.7
529.07404	1.7
535.10498	10.7
536.10742	1.4
561.11450	2.4
603.13080	2.5
617.27472	1.4
629.35034	3.0
645.13934	10.5
646.14648	1.6
647.36737	3.1
689.12805	2.2
733.11896	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	733.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	8.8
62.27829	0.8
71.01375	4.2
73.02927	1.6
83.01418	1.0
85.02970	1.0
89.02452	1.6
95.01376	1.1
96.96013	1.5
101.02450	4.8
108.02157	2.8
109.02956	12.6
113.02486	2.2
119.05007	1.5
121.02952	1.3
130.04239	1.1
131.05028	2.4
132.02164	3.4
133.01338	0.9
133.02950	3.3
135.04532	17.3
137.02440	2.3
143.05029	5.9
145.02953	2.4
147.04504	4.1
155.05006	1.9
157.02913	1.4
158.03638	1.5
159.04520	23.5
160.04816	1.0
161.02466	7.0
161.06097	2.7
163.00377	2.0
163.04015	2.2
164.01186	1.1
167.05005	1.7
169.02930	1.1
169.06660	1.2
171.04514	13.9
173.02414	2.4
173.06047	2.6
174.03189	3.5
175.03987	13.2
176.01169	5.3
177.01826	1.5
179.03482	1.1
181.03009	1.0
182.03773	1.8
183.04514	2.5
185.02365	1.3
185.06084	5.0
187.03957	7.3
189.05600	3.2
195.04468	3.1
196.05241	1.4
197.02419	3.0
197.06081	2.2
198.03212	5.3
199.03998	60.4
200.04398	3.6
201.01968	4.7
201.05545	1.7
202.33214	1.2
203.03511	6.5
211.03993	3.8
212.04750	3.5
213.01942	2.7
213.05562	6.4
214.02669	2.9
215.03482	11.5
216.04202	3.8
217.05032	27.3
218.05371	1.4
223.03932	2.2
224.04752	2.7
225.01917	14.1
225.05472	1.9
226.02591	3.5
227.03491	3.8
228.04123	1.0
229.05074	1.9
233.57297	1.0
237.05521	1.8
239.03571	4.5
239.07100	1.1
240.04233	7.7
241.05045	41.2
242.02217	3.5
242.05415	2.8
243.02965	100.0
244.03383	6.4
245.04552	1.3
251.03494	1.4
253.05020	1.1
255.03146	2.1
255.06744	1.2
257.04562	4.1
259.06015	2.4
265.04938	3.1
267.02933	10.1
269.00903	2.7
277.05026	2.3
279.02945	1.7
281.04764	2.0
283.02606	2.5
283.06070	18.7
284.03201	1.3
284.06198	1.1
285.04022	72.1
286.04303	4.1
289.05002	1.5
290.05734	1.6
293.04581	2.1
305.04523	1.5
309.04105	4.2
311.02075	6.3
315.06644	1.4
319.06479	1.1
321.04022	1.6
327.04913	4.7
331.06021	1.3
333.04068	2.1
349.18271	1.0
353.03055	8.1
357.07834	2.1
359.09637	1.0
361.07474	1.8
363.05243	1.1
369.07794	2.0
371.05701	1.7
373.07257	1.2
375.04974	3.2
379.07877	1.0
381.07724	1.6
383.05603	1.9
389.06754	1.3
398.07690	1.8
399.09042	4.2
401.06769	3.3
403.08234	14.8
404.08585	1.4
405.06149	22.0
406.06448	2.0
413.06567	2.7
414.07291	1.2
415.08514	1.2
423.08810	1.3
425.06570	1.7
429.06061	1.9
439.07904	1.3
440.08719	1.1
441.10104	6.8
442.10294	1.1
443.07779	5.4
447.07388	4.2
467.07462	1.5
479.11664	0.9
483.10794	4.0
485.08649	13.2
486.09518	1.5
491.11111	1.5
493.09265	3.5
494.09509	1.3
509.08859	3.2
523.10535	5.3
529.07935	1.8
535.10571	9.9
536.10663	2.5
561.11646	2.7
602.11511	1.2
603.13007	4.1
628.34296	1.3
629.34436	1.8
645.13861	10.9
646.14136	2.9
689.12823	3.8
733.11810	3.3
734.13403	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54564	0.2
59.01383	0.7
61.98831	100.0
71.01406	0.4
78.95905	0.4
93.25099	0.2
94.32316	0.2
187.24892	0.2
226.32002	0.2
226.34291	0.2
273.17053	0.2
423.72629	0.2
439.68295	0.2
444.66403	0.2
484.29980	0.3
527.32458	0.3
715.17041	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	11.2
59.77395	0.7
68.99847	0.7
69.28136	3.8
69.28568	3.1
71.01373	8.8
73.02949	3.4
79.13010	0.7
83.01409	0.7
85.02959	3.2
88.24385	0.8
88.94137	0.7
89.02443	3.0
95.01390	1.5
96.96006	0.9
101.02431	3.5
108.02172	2.4
109.02946	9.9
113.02450	4.2
114.02776	0.8
115.05536	1.2
115.07647	1.0
119.03498	2.0
119.05005	1.0
121.02934	1.6
130.04227	1.7
130.98230	0.7
131.05037	1.7
132.02185	3.4
133.02957	3.2
134.03722	0.8
135.00890	0.8
135.04535	13.4
137.02435	1.4
143.05051	6.2
145.02953	2.3
146.03700	1.2
147.04517	4.1
157.02942	1.1
158.03757	1.6
159.04518	23.7
160.04887	2.0
161.02463	4.9
161.04575	1.0
161.06087	1.5
163.00375	2.1
163.04002	1.6
164.01178	1.3
167.05032	1.1
169.06624	0.9
171.04510	11.0
173.02451	1.5
173.06097	2.1
174.03206	3.3
175.03996	11.3
176.01166	3.4
177.01804	1.5
179.05553	1.6
182.03683	1.2
183.04517	2.3
185.06064	4.4
187.03957	5.9
189.01819	0.9
189.05528	2.1
195.04480	1.8
197.02426	2.6
197.06085	2.6
198.03171	5.9
199.03998	53.9
200.04384	3.0
201.01903	5.5
201.05595	1.6
203.03552	7.1
211.03990	4.6
212.04718	2.3
213.01947	2.3
213.05550	7.9
214.02713	2.2
215.03520	9.5
216.04210	2.5
217.05049	22.1
218.05473	0.9
223.04007	3.4
224.04802	1.8
225.01933	13.4
225.05490	1.4
226.02612	3.5
227.03558	1.9
227.07114	0.8
229.05046	1.7
236.04649	1.1
237.05574	1.6
239.03490	4.9
240.04280	6.5
241.01228	1.8
241.05055	39.6
242.02150	3.8
242.05502	1.9
243.02963	100.0
244.03308	5.5
245.04585	2.0
249.05447	1.3
253.05002	1.5
255.02997	2.9
255.06627	1.1
257.04471	3.6
259.06030	1.2
264.04346	0.9
265.05075	2.3
267.02997	8.7
268.03537	0.8
269.00864	4.1
277.04993	1.1
279.02966	1.6
281.04517	1.4
283.02579	2.3
283.06049	16.6
284.06442	1.3
285.04031	62.7
286.04260	4.2
289.05219	0.9
293.04575	1.0
299.18597	1.4
303.06711	0.9
309.04053	3.4
311.01877	6.3
318.05392	1.1
319.06128	2.4
321.04370	1.2
327.05038	4.1
331.06174	1.3
333.04031	1.6
348.06705	1.2
353.03046	8.9
353.07474	1.3
355.06219	1.1
357.07581	2.4
361.07336	1.9
371.09354	1.2
373.07428	1.7
375.05106	2.4
379.08563	1.1
383.05368	1.1
384.06549	1.1
397.07034	1.3
398.07318	1.0
399.08694	3.3
401.06720	3.4
403.08261	14.7
404.08472	1.4
405.06168	19.3
406.06439	2.8
413.06549	2.1
425.06656	3.2
429.06036	2.0
439.08188	1.5
441.10043	6.3
443.07785	6.7
447.07333	5.3
467.07468	1.3
483.10837	4.9
485.08807	14.2
486.08948	1.7
491.11520	1.2
493.09174	3.3
509.09085	1.7
523.10193	5.1
527.09637	1.4
529.07654	2.3
535.10437	6.6
536.10687	1.5
561.11700	2.4
601.15369	0.9
603.13019	3.7
629.35376	6.0
645.14056	10.4
646.14703	1.9
647.36542	3.6
689.12848	4.9
689.37140	1.2
733.11456	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3779
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	9.5
61.98835	77.0
67.42277	4.1
70.53383	12.9
71.01382	6.6
73.36694	4.1
78.95899	5.2
83.04988	6.2
87.00881	5.1
88.98818	21.7
89.02457	12.4
117.03430	6.1
122.39693	4.7
133.02942	11.6
135.04533	9.5
137.14545	4.8
145.02994	10.3
147.30470	4.8
152.99629	7.0
161.02473	43.4
169.11780	5.5
181.08696	57.0
199.09743	6.2
199.13501	4.7
227.12878	14.0
235.08185	6.2
249.18604	10.2
253.09373	13.9
277.21725	100.0
278.22037	6.5
301.20337	4.4
310.49582	4.5
423.69806	4.9
463.21811	5.4
556.04614	5.4
659.23145	7.9
688.94287	4.9
731.39825	19.2
731.51257	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	731.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	4.4
55.53205	1.7
57.03448	5.9
59.01382	83.0
69.03446	2.2
69.49932	10.8
71.01006	2.9
71.01380	42.9
72.99307	2.1
73.02959	11.5
76.05867	1.6
79.95738	3.8
83.01385	11.5
84.02360	1.5
85.02958	25.9
86.00114	2.8
87.00884	3.9
89.02430	5.0
89.79501	1.6
95.01385	5.8
96.96017	52.7
97.02962	5.4
99.00870	5.7
101.02451	27.3
107.40815	2.1
111.00828	3.9
113.02444	17.6
119.03455	1.8
119.11628	1.4
124.01680	2.4
125.02438	8.2
125.38020	1.5
127.26385	1.5
143.03465	8.5
148.04066	2.6
148.15698	1.5
159.03029	2.1
161.04597	5.5
173.03619	2.0
174.04240	1.8
190.07439	1.9
192.19876	1.6
231.07813	1.9
232.08521	4.3
233.09166	1.9
401.04526	1.8
465.28387	3.1
470.19305	8.6
483.29581	6.9
611.34229	6.7
627.33826	100.0
628.34021	10.6
629.35608	11.4
630.35205	2.3
633.25684	10.0
634.25470	2.4
636.67694	1.9
645.34918	65.4
646.35303	11.5
647.36835	2.2
671.36664	3.5
687.35754	11.5
688.37219	2.7
689.37396	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	731.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.2
58.00594	2.1
59.01379	100.0
61.98821	7.5
69.03467	2.8
69.29164	19.4
70.65067	2.3
71.01383	54.4
72.99307	3.4
73.02952	16.6
73.99841	1.9
83.01385	9.9
85.02956	26.0
87.00894	4.1
89.02432	17.1
95.01384	5.3
96.96011	23.8
97.02935	4.1
99.00871	6.4
101.02442	34.2
111.00867	2.6
112.01648	3.1
113.02441	28.8
115.00389	2.6
119.03481	6.7
125.02467	5.3
133.01440	3.9
135.02982	2.3
135.04590	2.5
135.08252	2.3
143.03499	5.5
148.04016	2.7
149.02400	2.3
150.05588	4.9
153.72583	2.0
157.86647	1.9
159.02948	2.9
159.04477	2.4
161.04596	7.8
164.03450	2.0
173.03462	2.5
174.04295	4.0
178.13310	2.0
179.03552	2.3
179.05585	5.4
189.06822	2.7
190.07426	5.9
229.14516	2.2
231.07658	3.0
232.08434	7.7
286.09412	2.4
418.23145	2.2
435.02585	2.3
436.18945	2.2
454.19781	13.5
455.20258	3.0
465.28439	2.9
483.29639	6.2
484.29758	3.6
496.20941	2.7
579.30756	2.3
611.34430	8.1
612.34576	2.6
617.26086	14.3
618.26495	3.3
627.33820	80.8
628.34442	14.7
629.35632	11.7
645.24847	3.9
645.34851	51.0
646.35010	7.0
668.57086	2.4
671.37366	4.2
687.36829	8.7
688.35724	2.2
689.37006	3.1
743.51709	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	731.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43266	1.0
55.01874	4.4
57.03432	4.7
59.01381	54.1
61.98811	3.0
69.03465	3.0
69.33253	5.2
69.33680	3.9
71.01383	40.9
72.99296	1.3
73.02944	16.4
75.00879	1.1
76.86180	1.0
83.01383	9.1
85.02950	23.9
86.00098	1.8
87.00874	4.7
87.39339	1.1
89.02428	4.6
95.01371	4.9
96.95999	1.4
97.02947	4.4
98.19849	2.3
99.00874	4.9
101.02441	25.4
111.00841	5.2
112.01685	1.4
113.02452	19.9
124.01669	2.1
125.02448	7.4
129.01939	1.3
143.03514	6.6
159.02953	1.7
161.04562	6.4
259.15097	1.2
351.02185	1.1
465.28583	4.1
483.29874	7.0
512.83148	1.1
597.32953	1.3
627.33820	100.0
628.34192	17.3
629.35199	2.2
645.34912	56.2
646.35376	11.0
687.35760	7.6
688.36560	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	731.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.2
58.00594	2.1
59.01379	100.0
61.98821	7.5
69.03467	2.8
69.29164	19.4
70.65067	2.3
71.01383	54.4
72.99307	3.4
73.02952	16.6
73.99841	1.9
83.01385	9.9
85.02956	26.0
87.00894	4.1
89.02432	17.1
95.01384	5.3
96.96011	23.8
97.02935	4.1
99.00871	6.4
101.02442	34.2
111.00867	2.6
112.01648	3.1
113.02441	28.8
115.00389	2.6
119.03481	6.7
125.02467	5.3
133.01440	3.9
135.02982	2.3
135.04590	2.5
135.08252	2.3
143.03499	5.5
148.04016	2.7
149.02400	2.3
150.05588	4.9
153.72583	2.0
157.86647	1.9
159.02948	2.9
159.04477	2.4
161.04596	7.8
164.03450	2.0
173.03462	2.5
174.04295	4.0
178.13310	2.0
179.03552	2.3
179.05585	5.4
189.06822	2.7
190.07426	5.9
229.14516	2.2
231.07658	3.0
232.08434	7.7
286.09412	2.4
418.23145	2.2
435.02585	2.3
436.18945	2.2
454.19781	13.5
455.20258	3.0
465.28439	2.9
483.29639	6.2
484.29758	3.6
496.20941	2.7
579.30756	2.3
611.34430	8.1
612.34576	2.6
617.26086	14.3
618.26495	3.3
627.33820	80.8
628.34442	14.7
629.35632	11.7
645.24847	3.9
645.34851	51.0
646.35010	7.0
668.57086	2.4
671.37366	4.2
687.36829	8.7
688.35724	2.2
689.37006	3.1
743.51709	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	731.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09211	1.1
51.38482	1.0
55.72812	1.0
59.01376	6.9
61.98835	1.5
69.36088	2.0
69.36477	8.6
71.01389	3.2
73.02946	1.8
85.02968	1.5
93.03447	2.1
96.96043	1.6
101.02455	1.4
108.02207	1.3
113.02443	2.1
115.00372	1.9
121.02962	11.5
122.03730	5.8
123.04559	5.0
129.47031	1.0
133.01381	3.3
133.02946	7.1
134.03783	9.8
135.04498	4.3
136.01555	1.3
137.02440	1.9
145.03001	2.4
146.03722	2.0
147.04532	2.2
149.02438	9.3
149.06100	6.8
150.03224	36.0
151.04019	12.1
159.04512	1.0
160.25612	1.0
161.02419	1.2
161.05994	1.1
164.04825	3.4
165.05553	27.0
166.05898	1.2
177.01923	3.6
178.02644	1.5
179.07196	6.7
180.04248	3.1
181.05072	6.2
195.06610	10.2
227.03506	1.0
227.07089	1.0
237.05528	1.4
239.07037	2.5
240.04202	1.4
241.08578	1.2
253.04884	2.5
253.08617	1.5
255.06660	3.7
265.08359	2.6
266.05789	1.5
267.06598	10.0
267.10236	1.9
268.07242	2.6
269.08121	12.6
270.08728	1.3
275.09256	1.4
280.07529	1.6
281.08130	4.6
282.08694	1.6
283.09738	8.7
284.10367	2.3
284.30286	1.1
295.09799	3.8
296.10547	1.4
297.11099	2.5
310.08417	1.5
311.09189	11.0
312.09674	2.0
323.08978	1.1
325.10825	2.4
326.07889	1.4
327.08524	2.0
328.09497	5.0
340.09515	15.9
341.10205	13.5
342.10876	3.2
343.11826	31.7
344.12323	2.2
353.10287	1.7
354.10654	1.8
355.07932	2.0
355.11871	21.4
356.11984	2.1
371.11423	3.2
372.12076	1.3
373.12851	2.2
397.12939	2.4
417.13602	1.4
427.13858	3.1
431.14896	6.5
432.15656	1.4
491.16910	12.0
503.17133	3.1
521.18109	22.8
522.18311	3.6
545.18170	1.8
551.19171	10.6
563.19153	1.8
569.20239	100.0
570.20636	14.4
597.21521	2.0
611.21277	4.3
625.49084	1.2
731.25293	10.9
732.25940	1.9
761.02179	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.3
61.98831	100.0
69.49998	1.1
69.50405	0.3
78.95913	0.3
80.96512	0.2
122.47752	0.2
171.10294	0.6
172.10609	0.6
173.51936	0.2
204.03665	0.2
209.11919	0.4
233.11893	0.3
255.23135	0.2
264.62131	0.2
277.21677	1.2
278.22241	0.9
282.95630	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	1.0
60.99306	20.6
61.01644	0.6
61.98832	8.6
69.22967	2.6
69.23401	2.7
71.01372	1.3
76.08196	0.7
78.73164	0.5
78.95876	0.8
80.51174	0.5
81.22368	0.6
83.19658	0.5
87.00879	5.9
88.04036	0.6
88.98808	100.0
89.02446	33.4
90.05950	0.6
98.19870	1.0
101.75157	0.5
122.17977	0.6
123.59253	0.7
126.53050	0.6
150.33798	0.6
150.66989	0.6
153.72206	0.7
161.02477	2.8
277.21719	1.8
330.47137	0.6
438.13336	2.3
439.13977	0.9
467.13889	2.1
481.15268	15.4
482.15668	7.3
483.16357	0.9
495.16956	1.2
496.17365	0.9
497.18613	3.7
498.18619	1.1
514.14935	9.0
515.15326	1.6
528.16370	0.8
540.16486	4.1
541.16919	0.9
555.18890	41.2
556.19220	9.2
572.15399	7.5
573.15271	0.9
641.22552	2.2
659.23596	26.2
660.23535	4.5
731.25629	6.3
731.40839	0.8
732.26392	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01355	0.3
61.98829	100.0
71.35912	0.4
76.19088	0.3
78.35595	0.2
78.95916	0.5
80.96497	0.2
154.85571	0.3
155.38081	0.3
171.10318	0.6
172.10611	0.4
173.10774	0.3
209.11899	0.4
255.23349	0.3
259.69446	0.2
268.44171	0.2
277.07440	0.2
277.21722	0.6
278.22400	0.3
279.22897	0.3
729.13025	0.3
731.37463	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.4062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00305	2.0
59.01377	9.3
61.98819	11.8
71.01384	100.0
72.01725	2.0
73.02932	2.1
78.95921	3.3
86.50383	1.6
87.00867	1.9
88.98798	4.1
89.02448	3.5
101.02441	2.6
105.93855	1.5
109.06594	4.4
113.02398	1.6
115.00371	1.8
116.74557	1.7
125.09733	3.6
127.11266	3.9
128.82460	1.5
144.37180	1.5
148.38194	1.5
153.79839	1.6
155.10773	2.3
161.04561	2.1
163.11247	3.5
171.10266	92.9
172.10558	3.0
181.12355	2.3
183.01221	20.5
197.02734	2.2
199.09766	11.5
199.13393	3.1
201.11313	17.0
202.11780	1.8
207.10245	15.3
208.10504	1.8
225.11319	13.3
249.18591	58.8
250.18861	4.1
253.09218	11.0
297.15292	81.8
298.15668	4.9
427.29855	1.6
435.18652	2.6
461.20306	3.8
621.29980	2.0
693.38965	2.7
710.69135	1.7
729.40320	14.6
730.40887	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	729.404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	3.9
61.98831	3.3
70.98772	0.4
71.01383	19.4
71.01782	0.9
71.52961	0.7
72.99294	2.6
73.02946	0.9
75.00875	100.0
76.01222	1.1
78.95898	0.5
83.01364	0.4
85.02954	0.7
85.71947	0.3
87.00877	1.0
89.02463	1.6
97.02925	1.0
101.02436	2.0
109.06596	1.5
113.02480	1.0
119.03529	0.8
121.81805	0.4
124.53005	0.5
125.02446	0.7
125.09745	0.7
127.11311	0.9
129.64371	0.3
141.39774	0.5
141.40938	0.4
143.03546	0.4
143.07140	0.6
155.10846	1.0
161.04568	0.6
163.11305	1.4
171.10271	19.8
172.10605	1.0
179.05638	0.5
181.08698	0.6
181.12378	0.6
199.09737	4.6
199.13313	0.6
200.10164	0.5
201.11305	4.6
207.10258	5.1
225.11325	3.7
235.08318	1.3
243.12312	0.6
249.18587	15.4
250.19037	1.0
253.09337	2.4
255.23204	2.8
277.21793	1.5
397.13474	6.3
398.13879	0.5
415.14642	2.2
435.18887	1.1
461.20364	1.1
693.39331	0.7
711.39191	0.8
729.40442	3.7
730.41064	0.7
746.59796	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.4065
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00598	1.4
59.01163	1.0
59.01379	12.8
61.98833	8.8
66.50203	1.3
71.01382	96.2
71.09294	1.5
73.02946	1.8
75.00784	1.3
78.95920	2.4
83.04987	1.5
85.02942	2.5
88.98794	6.3
89.02431	3.6
97.02945	2.9
99.00894	2.2
101.02445	6.7
107.21964	1.3
109.06572	9.9
113.02439	2.7
125.09714	3.4
127.11275	5.3
130.68866	1.2
135.08159	2.1
137.09694	1.3
155.10753	1.5
163.11272	3.2
171.10265	100.0
172.10582	3.6
172.88628	1.3
179.05748	1.6
181.08661	1.4
181.12326	1.6
183.01251	10.1
197.11813	1.6
199.09734	21.9
199.13354	2.9
199.68922	1.5
201.11304	23.7
207.10260	29.1
209.11928	1.4
217.14284	1.5
225.09579	1.6
225.11336	19.0
226.11652	1.3
235.08118	2.4
243.12297	3.6
249.18579	73.3
250.18913	6.1
253.09242	14.2
297.15271	29.4
338.64285	1.3
435.18442	3.7
461.20200	5.1
621.30371	1.8
667.35162	1.4
693.38373	4.8
711.38489	1.4
729.40491	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	729.4065
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	9.6
61.98820	5.2
71.01382	76.1
73.02962	1.8
78.95908	2.1
80.40483	0.9
82.23292	0.9
85.02963	1.7
87.00898	1.4
89.02448	1.8
90.52984	0.8
95.01421	0.8
95.05035	2.6
97.06588	5.7
98.20619	1.9
99.00875	2.5
99.08162	1.7
101.02443	3.8
109.06596	2.8
113.02452	1.7
119.03506	1.2
125.06087	16.6
126.06464	1.0
127.07694	1.2
133.06541	0.9
135.08179	3.6
137.06116	1.3
143.07138	40.7
144.07494	1.8
153.05585	7.4
153.09212	2.8
155.07169	1.1
161.02486	1.6
161.04688	1.4
171.06606	2.5
173.08211	3.2
179.05652	1.6
179.07094	7.4
197.08195	4.4
215.09225	1.2
235.08195	3.5
253.09265	10.7
253.25778	1.2
277.21716	100.0
278.22101	11.1
291.30219	0.9
370.05298	1.0
373.42389	1.0
482.27353	1.0
545.04810	1.4
641.83942	1.1
693.39435	1.7
711.39612	1.8
722.65894	1.1
729.40820	11.7
730.41125	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	729.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21248	0.2
59.01380	2.1
61.98579	0.2
61.98840	2.6
70.38465	0.3
70.38819	0.9
71.01384	6.6
72.99310	3.1
73.02963	0.3
73.99622	0.4
75.00873	100.0
76.01212	0.8
78.95887	0.5
81.03464	0.3
87.00884	0.9
89.02471	1.0
90.40361	0.2
95.20937	0.3
97.02951	0.3
97.29471	0.3
100.36000	0.3
101.02454	1.3
109.06629	0.8
111.22662	0.3
113.02499	0.4
119.03474	0.4
125.02447	0.4
125.05999	0.3
143.07118	0.5
153.09277	0.3
158.72954	0.2
161.02386	0.3
161.04593	0.4
171.10274	5.5
179.05611	0.4
181.12445	0.3
199.09793	1.1
201.11295	1.6
207.10225	1.9
221.06613	0.3
225.11266	1.4
235.08261	0.6
249.18573	4.5
250.19099	0.3
253.09320	1.2
255.23303	2.4
277.21759	0.9
397.13571	5.1
398.13843	0.4
415.14606	1.9
461.20609	0.4
505.33105	0.3
693.39832	0.4
729.40558	1.4
730.41949	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.4065
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	12.9
61.80005	1.2
61.98826	9.0
63.61753	1.2
69.03405	1.4
69.40742	1.2
71.01382	69.4
73.02935	2.4
78.19883	1.4
78.95895	3.2
84.01882	1.4
85.02939	1.5
88.98799	1.7
89.02437	4.0
95.05017	3.2
97.06582	5.3
98.19873	3.4
99.00828	3.0
101.02435	3.9
109.06573	2.6
113.02452	2.6
125.06074	15.9
135.04497	1.6
135.08136	3.8
143.07141	32.8
153.05568	8.8
153.09187	3.6
155.07140	2.0
161.02429	4.0
161.04626	1.5
171.06660	1.7
173.08195	6.4
179.07103	7.8
197.08165	5.8
207.10266	1.5
235.08189	4.3
239.06540	1.3
253.09229	8.9
255.23351	2.0
277.21710	100.0
278.21985	10.2
351.82010	1.4
433.17294	1.4
693.38782	2.3
694.39984	1.6
696.00763	1.4
711.39471	2.6
729.40729	15.5
730.40332	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	729.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87389	1.7
55.47610	1.6
59.01383	22.0
59.88413	1.4
61.98823	12.1
62.53068	1.5
71.01373	7.2
73.02933	3.1
75.00873	6.3
78.95892	3.4
87.00856	2.6
89.02455	2.8
95.05029	2.0
97.06579	9.6
99.00867	7.1
99.08163	3.8
101.02416	6.1
109.06597	2.9
111.08166	1.8
113.02461	1.8
135.08087	2.3
137.06071	2.8
152.99564	1.7
153.09195	10.0
155.07083	9.5
171.10226	5.3
173.08188	16.9
183.01109	4.6
197.08160	11.9
215.09151	2.9
235.08183	3.8
253.09229	5.1
277.21722	95.6
278.22125	8.9
297.15216	12.0
377.88193	1.9
433.17172	2.5
693.38055	4.0
711.39838	11.7
712.39899	3.2
729.40588	100.0
730.40967	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	729.4059
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	32.2
61.98833	18.8
69.43899	10.9
71.01374	6.3
73.02940	2.2
73.19732	1.8
73.78534	1.5
78.95891	2.3
87.00877	2.2
89.02436	4.2
96.96961	1.7
99.00871	6.5
101.02426	3.6
125.09702	4.7
127.11250	6.1
133.02933	1.9
135.04521	2.0
137.09747	2.0
152.99614	1.8
155.10744	3.0
161.04585	2.2
163.11243	3.4
165.09164	2.5
171.10211	1.9
181.12341	5.8
199.13446	10.3
201.11308	77.8
202.11684	3.5
207.10258	10.2
221.31668	1.8
225.11339	26.4
243.12303	7.5
249.18616	35.2
250.19051	3.0
253.09235	7.4
271.12332	1.6
380.25790	1.7
437.19934	2.3
461.20139	5.2
693.38348	3.8
711.39294	10.7
729.40625	100.0
730.40912	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.362
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90980	2.3
51.81021	3.0
54.17202	2.4
59.01371	10.0
60.99305	6.0
61.98829	100.0
70.26724	6.0
70.27112	5.0
78.95905	6.4
84.96283	2.9
88.98801	37.5
89.02459	11.4
97.06572	2.6
98.20560	4.2
101.02434	3.9
101.65029	2.6
117.07126	3.2
123.04556	5.5
125.09711	9.9
126.05731	3.3
133.06621	4.4
135.08157	10.9
145.02943	3.2
179.07130	51.5
197.08144	7.4
201.11299	9.4
223.76561	2.8
224.03984	2.9
235.08197	4.9
249.18547	17.8
253.09351	13.4
277.21701	92.8
278.22168	10.4
324.80597	3.0
405.17709	6.4
514.45410	2.6
553.09778	2.6
693.38177	14.1
694.39124	3.6
729.36328	9.4
729.49512	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	729.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75519	6.7
59.01366	20.6
61.98817	30.2
71.01324	10.0
78.95899	26.9
88.98794	16.0
93.65118	7.4
94.98083	6.9
96.02334	8.1
123.04519	26.1
141.05560	19.8
171.10265	8.7
189.12900	8.1
197.08081	9.0
200.04822	8.8
209.11885	8.9
233.11697	9.2
233.35132	7.3
253.09387	10.2
255.23314	11.7
277.21695	100.0
278.21979	11.0
313.23569	7.9
400.99283	9.5
417.00977	8.9
545.81097	9.2
670.63531	8.3
729.35596	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	727.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45121	0.3
56.97800	0.3
59.01382	13.9
61.98845	1.1
71.01374	1.7
71.52901	0.5
72.41040	0.3
73.02957	0.6
78.95900	1.8
85.02949	0.6
87.00862	0.4
88.83156	0.3
89.02465	1.2
94.64355	0.3
96.97009	0.4
97.60238	0.3
101.02444	1.8
106.46860	0.3
113.02443	0.8
119.03545	0.4
125.09704	1.1
127.11285	1.5
127.78310	0.3
152.99597	0.9
153.09225	0.5
161.04546	0.9
171.10271	100.0
172.10606	4.1
219.72385	0.3
225.11407	0.4
235.08206	2.2
241.01192	0.4
253.09291	5.6
255.23212	2.3
277.21713	50.6
278.22018	4.3
281.24918	0.4
285.37033	0.3
405.22174	1.2
406.22598	0.3
407.19223	2.2
416.85043	0.3
504.82150	0.3
609.05591	0.3
632.91370	0.4
684.85144	0.4
709.39197	0.6
727.37311	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.479
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21433	0.4
54.33255	0.5
61.98833	1.8
67.39161	0.4
71.47170	0.4
78.95898	1.3
93.03467	0.5
104.41716	0.4
107.05009	0.5
117.03463	1.2
121.02945	0.8
132.02225	0.9
133.02956	24.6
134.03770	8.9
135.04526	52.8
136.04855	1.8
137.02441	5.3
139.04063	2.1
150.03284	0.6
152.99608	0.7
161.02438	69.3
162.02750	3.5
178.02757	1.6
179.03491	21.3
180.03918	0.8
255.23312	1.6
256.23761	0.9
267.19711	0.5
283.29630	0.4
285.20618	4.4
311.10733	0.5
341.25253	0.4
429.22754	7.8
430.23016	1.0
447.23892	3.3
727.47894	100.0
728.48181	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	728.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58559	0.5
62.96414	0.6
65.01440	0.4
69.26158	3.9
71.01376	0.9
74.99085	0.8
78.95903	100.0
90.64102	0.4
91.30305	0.4
96.96959	10.9
115.00363	1.4
119.05145	0.5
133.01433	3.8
134.04726	8.2
135.04520	0.9
138.97989	0.7
151.23727	0.4
158.92552	9.6
163.01640	2.3
174.98018	1.1
179.03459	1.6
181.02748	0.5
190.02623	0.8
191.01134	1.5
208.03806	3.8
211.00262	0.6
213.05672	0.5
242.98238	0.5
272.95651	3.1
305.09146	1.2
328.04614	0.5
339.07864	6.5
340.08276	0.5
346.05481	5.6
357.08920	1.0
381.08868	6.7
399.09869	2.0
408.01160	4.5
426.14828	0.5
461.05548	6.8
499.26401	0.5
584.75323	0.5
654.88593	0.5
728.15192	33.6
729.15515	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	727.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	18.2
61.98824	1.5
69.54681	2.5
71.01385	2.4
73.02941	0.7
78.95903	3.0
85.02957	0.7
89.02459	1.4
98.19917	0.9
101.02464	2.0
113.02446	1.1
119.03510	0.4
125.09735	0.6
127.11300	1.5
141.05573	0.4
152.99567	1.4
153.09230	0.6
161.04553	1.0
171.10269	76.1
172.10558	2.8
174.95088	0.4
197.11845	1.9
209.11839	1.7
235.08211	3.3
251.20195	1.0
253.09270	7.1
254.09650	0.5
255.23376	2.4
277.21716	100.0
278.22061	7.4
281.24786	2.1
350.99191	0.4
365.32068	0.4
407.19052	0.5
468.60226	0.4
492.76688	0.4
513.30652	1.4
566.13776	0.5
623.19537	0.4
667.43695	0.5
727.37537	1.3
728.36493	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93786	1.2
59.01381	10.3
61.98830	7.3
61.99111	1.1
71.01382	3.7
71.51983	1.5
73.02920	1.4
78.95901	5.2
80.96498	1.5
82.62529	1.2
86.62492	1.3
89.02448	2.3
101.02451	2.9
105.31016	1.2
113.02505	1.2
152.99606	1.9
169.12346	2.4
181.12332	10.0
193.04060	1.1
199.13393	100.0
200.13704	3.6
200.74605	1.4
225.00713	1.8
231.17320	1.2
249.18573	62.5
250.18817	3.4
253.09291	19.7
255.23262	2.3
277.21701	6.8
374.47287	1.2
431.31653	9.8
432.32193	1.7
727.36249	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	727.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93786	1.2
59.01381	10.3
61.98830	7.3
61.99111	1.1
71.01382	3.7
71.51983	1.5
73.02920	1.4
78.95901	5.2
80.96498	1.5
82.62529	1.2
86.62492	1.3
89.02448	2.3
101.02451	2.9
105.31016	1.2
113.02505	1.2
152.99606	1.9
169.12346	2.4
181.12332	10.0
193.04060	1.1
199.13393	100.0
200.13704	3.6
200.74605	1.4
225.00713	1.8
231.17320	1.2
249.18573	62.5
250.18817	3.4
253.09291	19.7
255.23262	2.3
277.21701	6.8
374.47287	1.2
431.31653	9.8
432.32193	1.7
727.36249	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	727.3911
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53986	2.6
53.36969	2.9
56.62442	2.7
59.01363	12.9
59.34638	3.0
61.98833	34.2
63.69950	2.9
71.01387	6.2
77.16084	3.3
78.95903	8.6
87.00876	24.5
90.01614	3.2
96.30679	2.9
98.19917	6.1
101.02414	4.2
104.22350	3.1
152.99557	6.3
169.12335	100.0
170.12659	6.2
171.10255	33.8
176.85814	3.2
229.10262	3.2
235.08226	7.1
249.18614	66.5
250.18925	7.0
253.09268	8.4
255.23343	3.9
277.21707	12.9
285.68423	2.9
405.21408	8.6
461.20013	3.9
566.12787	3.3
625.81262	3.7
681.38513	11.7
699.39392	8.6
700.39728	3.6
709.38525	4.6
727.38983	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	727.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54075	1.9
58.45528	1.7
59.01379	15.9
61.00526	1.7
61.98833	10.2
70.37297	5.5
71.01370	4.0
73.65076	1.8
76.58752	2.1
77.85790	1.7
78.95911	11.6
80.96510	2.2
90.18226	1.8
101.02450	2.1
117.03466	4.9
119.05003	5.8
125.09762	2.1
143.07085	1.9
145.02968	10.4
152.99559	8.5
163.03993	2.3
168.15486	2.0
171.10274	100.0
172.10556	4.5
185.11848	2.0
220.20546	1.9
225.11337	2.3
228.67250	1.9
235.08284	2.1
240.47505	2.4
241.48755	1.9
253.09323	7.1
255.23256	13.0
277.18896	3.4
277.21722	51.9
278.22156	3.1
279.23114	3.8
405.22180	4.6
727.37201	6.9
727.49561	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.2
56.90671	0.8
57.03433	1.2
58.00580	1.2
59.01379	47.9
61.98819	4.0
67.01863	0.9
69.27932	2.2
69.28345	5.1
71.01380	30.5
72.01647	0.8
72.99294	2.7
73.02952	9.4
83.01389	5.3
83.31461	0.8
84.53679	0.9
85.02953	13.1
87.00889	2.0
89.02442	17.8
95.01387	3.1
96.95998	1.5
97.02931	1.1
98.20712	1.8
99.00849	2.8
101.02440	24.7
113.02451	15.2
117.03461	0.9
119.03526	7.8
125.02404	1.9
133.01440	2.0
133.02934	1.4
134.03732	16.0
135.04478	1.1
137.02452	1.2
143.03459	1.5
149.06044	1.9
160.01659	1.5
161.02414	1.4
161.04514	3.6
163.03958	1.2
175.03954	3.3
177.01891	0.9
178.02701	3.4
179.03261	1.0
179.05623	0.9
193.03340	1.6
193.05040	25.5
209.11845	1.1
211.13206	0.9
245.07674	0.9
346.58499	0.8
397.11438	1.7
435.27368	1.3
437.28134	0.9
461.25449	2.3
479.26459	100.0
480.26965	12.9
521.27435	17.2
522.27869	1.8
683.39722	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	15.7
61.98827	3.7
68.56410	0.4
69.03462	1.0
71.01392	3.0
71.52157	0.8
78.95905	5.9
80.96535	0.5
82.52139	0.4
83.01349	0.8
83.05013	0.8
83.48752	0.5
85.02959	1.0
87.65862	0.4
89.02440	1.7
100.41146	0.5
101.02453	1.9
109.06592	1.3
113.02441	1.0
152.99586	4.5
153.12868	0.8
169.12347	4.6
171.10300	3.2
179.05664	0.5
179.10773	1.0
197.11832	100.0
198.12178	4.8
201.11282	0.9
207.10324	1.1
209.11818	6.0
210.12227	2.7
210.13971	0.5
225.11319	1.6
227.03168	0.5
227.12904	0.9
235.08211	1.8
249.18582	42.5
250.18941	3.7
253.09270	5.6
253.21828	1.0
254.09631	0.7
255.23273	2.0
256.23666	0.5
277.21808	5.0
278.22037	3.8
279.23019	1.9
319.22745	1.2
399.14462	0.9
415.19601	0.6
423.24731	0.7
433.20853	6.3
434.21088	0.8
453.15421	1.3
469.87338	0.5
471.16260	2.0
489.17712	0.6
494.99786	0.5
635.35065	0.6
707.37494	2.1
725.38086	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	725.4761
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.3
59.01372	7.0
61.98828	3.0
69.03478	2.0
78.95905	31.7
85.81653	1.2
98.19862	2.5
104.74091	1.1
110.98533	22.3
113.09726	1.5
124.58488	1.2
135.11836	1.6
139.11302	2.1
146.88280	1.1
152.99640	3.4
163.11348	3.3
167.01151	10.6
168.01767	1.1
175.14882	2.9
178.02617	1.4
179.10785	11.0
203.18193	2.0
205.81715	1.1
207.10312	1.2
219.13899	5.6
255.23302	100.0
256.23654	7.7
257.22638	8.6
275.23853	1.6
277.21835	3.3
279.23340	2.6
281.24896	3.5
301.21704	19.1
302.22061	1.9
319.22778	87.3
320.23276	7.4
405.24109	2.4
423.25174	13.7
424.25739	1.4
434.44470	1.2
469.23611	1.5
487.24405	1.6
725.47974	46.0
726.15295	1.3
726.48126	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	725.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.0
57.03443	2.2
59.01381	27.7
61.98833	7.0
65.03986	0.8
69.03465	4.3
70.18670	2.8
71.01379	12.6
71.05021	1.9
72.99314	1.8
73.02940	3.0
81.03461	4.4
82.79556	0.9
83.01365	1.4
83.05021	4.1
85.02962	4.3
87.00865	2.7
89.02457	5.4
93.03429	1.1
95.01369	1.0
95.05026	3.5
97.02946	7.8
97.06567	4.3
99.00845	1.7
101.02439	8.8
107.05006	1.6
109.05907	1.3
109.06599	20.7
110.03757	1.6
110.06924	1.0
111.08125	2.2
113.02477	4.5
117.07068	2.9
119.03483	1.5
121.06596	1.4
123.04504	3.2
123.08180	1.6
125.06115	1.8
125.09721	3.1
133.06577	3.8
135.08165	14.9
137.09694	3.1
141.09206	1.3
142.02640	1.4
143.07083	0.9
149.09789	1.4
151.07639	1.3
151.11229	2.4
153.09189	3.6
153.12865	1.4
153.86816	0.8
161.04547	4.8
161.05975	1.7
161.09692	3.5
163.07639	1.2
163.11266	14.1
165.09140	1.1
165.12790	2.1
167.10834	4.4
169.08687	3.0
169.12323	1.9
171.10242	3.6
179.05743	1.2
179.07143	24.4
179.10747	6.8
180.07549	1.1
181.08664	2.6
181.12358	3.4
183.10257	1.5
189.09151	2.1
195.10342	1.9
197.08133	6.1
197.11830	70.1
198.12206	3.4
199.09732	2.1
207.10252	54.3
208.10635	2.8
209.11823	27.4
211.13383	2.6
217.15939	2.7
219.17461	3.3
225.11310	22.4
227.12843	4.9
235.08313	4.7
241.10774	3.1
247.16896	1.1
253.09285	26.0
261.14850	2.2
263.16513	6.8
265.18021	8.4
279.15985	2.9
281.17599	18.5
282.17917	1.2
289.18109	2.0
291.19626	9.2
293.21152	3.2
294.54608	1.1
299.14743	1.1
307.19254	1.2
309.20691	23.5
310.20984	1.4
326.83765	1.0
406.40219	1.0
443.19113	2.0
461.20200	10.7
477.19904	1.6
707.36737	2.3
725.37524	100.0
726.37823	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3758
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59854	1.1
57.03432	3.6
59.01381	25.1
61.15964	0.9
61.98540	1.2
61.98827	16.4
63.54491	1.0
69.03460	1.8
71.01384	6.4
71.05008	1.5
73.02937	1.1
75.00873	14.5
78.95902	1.4
79.00581	1.0
81.03468	1.0
83.01382	1.3
83.05003	1.8
85.02940	2.6
87.00872	1.1
89.02435	3.0
94.56702	1.0
95.05037	6.5
97.02927	1.8
97.06576	8.7
98.20744	1.9
99.00896	1.2
99.04512	1.3
101.02402	3.5
109.06556	1.2
113.02446	2.4
121.06516	1.3
123.08170	18.3
125.09697	2.3
125.95892	1.1
133.06639	4.8
135.04399	1.2
135.08083	1.0
139.92239	0.9
151.07663	13.0
161.04504	1.9
166.03311	1.0
169.08708	26.0
170.09021	1.3
171.10257	6.2
179.07130	3.2
181.08664	3.5
195.06572	1.7
195.13834	6.4
197.11824	2.6
205.12283	1.2
207.10225	1.7
209.11783	8.9
211.13336	1.6
213.07626	1.8
223.13327	3.8
225.11208	3.2
227.12889	2.7
235.08089	1.5
253.09224	5.9
261.14929	1.1
275.20139	5.2
291.19632	1.5
293.21207	21.3
294.21634	1.3
307.19122	2.1
309.20752	3.2
449.16739	1.7
666.91620	1.1
707.35663	1.6
725.37482	100.0
726.37885	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	725.1935
Annotation	Kaempferol 3-xylosyl-(1->3)-rhamnosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
53.59132	0.3
59.01377	1.5
63.02394	0.7
63.81016	0.4
65.00338	1.2
69.38067	2.3
69.38483	0.8
78.44245	0.4
80.25022	0.4
83.01390	0.9
101.02448	0.3
107.01379	2.3
117.03448	0.4
132.02203	1.3
135.00911	0.8
136.01685	0.8
145.02974	0.4
151.00377	4.7
151.04002	0.9
152.01099	0.4
152.04388	0.7
159.04474	0.5
163.00389	1.1
164.01112	0.7
169.01474	0.5
172.37903	0.4
178.99835	1.9
183.04521	0.9
187.04047	0.8
193.05093	0.7
195.04507	0.6
196.05403	0.3
199.04128	0.4
211.04001	2.0
213.05734	0.4
227.03496	40.7
228.03789	2.3
229.05031	2.3
239.03627	0.8
255.02980	79.4
256.03549	7.9
257.04456	2.3
283.02481	1.6
284.03250	100.0
285.03925	22.4
286.04343	1.3
309.04001	0.8
327.05121	0.8
357.13492	1.3
358.13672	1.1
359.13980	1.0
423.34714	0.5
491.19388	1.5
503.19214	0.8
533.20215	0.8
545.20178	0.5
575.13995	1.4
593.15851	0.5
651.98102	0.4
654.81195	0.4
725.19312	78.6
726.19666	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	723.4321
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	6.0
61.98826	4.9
71.01386	3.3
71.51746	0.5
73.02932	1.0
78.95904	4.1
80.02676	1.2
81.03443	0.9
83.05026	4.0
85.02958	1.5
87.00848	0.8
89.02464	1.6
95.05028	0.6
101.02480	2.5
101.03024	0.4
113.02443	1.3
119.03515	0.7
125.06006	0.6
135.08102	0.5
152.99565	3.5
155.10814	0.5
157.74637	0.5
161.04568	0.7
163.11304	3.4
164.11606	0.7
165.12883	2.1
171.10406	0.5
179.05754	0.8
181.12273	0.8
189.09154	0.5
191.10895	0.8
199.13327	0.5
207.10271	1.1
209.11819	100.0
210.12125	5.0
223.09787	0.7
225.11278	1.0
227.10748	0.9
227.12885	12.1
228.13165	0.8
235.08188	3.7
253.09267	9.8
253.21674	1.0
255.23241	0.9
277.21710	79.1
278.22064	5.7
279.23270	0.7
303.74072	0.5
317.21057	1.0
445.20569	0.8
451.14151	0.6
469.14725	2.1
566.62463	0.5
705.35974	2.9
706.36646	0.6
723.42773	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72216	0.7
55.01880	0.9
59.01378	28.7
61.98832	7.5
64.12154	0.7
68.45514	0.8
69.03438	1.0
70.77438	0.7
71.01376	8.0
73.02939	1.6
78.95893	2.8
81.03468	1.4
83.01361	0.8
83.05012	1.8
84.92178	0.7
85.02949	2.6
89.02435	4.8
95.01389	1.9
95.05029	4.5
97.02956	3.8
99.00887	0.7
101.02437	5.9
102.59095	0.7
109.06595	10.9
110.03729	2.3
111.04513	1.9
113.02463	3.3
115.04017	0.8
119.03523	1.5
120.68577	0.8
123.04552	0.8
127.07507	0.7
129.01961	0.7
135.08145	1.7
152.99544	2.1
161.04565	2.6
161.09628	1.1
163.11281	10.0
179.05608	1.8
179.10733	2.3
181.12358	2.1
189.09161	5.4
197.11839	1.8
199.09763	1.7
207.10258	41.8
208.10567	2.4
223.09659	1.2
225.11317	100.0
226.11650	3.9
235.08199	6.9
253.09314	12.3
255.23273	1.1
259.20493	0.8
277.21716	81.9
278.22049	6.1
280.32938	0.8
299.15060	1.8
303.23328	1.3
443.19165	7.0
461.20309	20.3
462.20422	1.8
502.10126	0.8
721.41742	15.4
722.42291	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12801	0.5
53.59757	0.6
59.01377	15.8
61.98830	3.9
70.12173	2.2
71.01373	5.2
73.02952	1.9
78.95893	2.5
80.02688	1.6
81.03464	2.7
83.01384	1.3
83.05045	2.8
83.94614	0.5
85.02953	1.5
87.00864	1.1
89.02445	3.2
95.01405	1.0
97.02955	6.0
98.19997	0.7
99.00869	1.4
101.02441	5.1
107.05060	0.6
109.06590	34.8
110.03734	1.2
110.06936	0.9
113.02422	2.3
119.03452	1.0
121.06555	2.5
123.04526	0.8
125.09746	0.8
135.08136	3.7
136.05327	1.5
142.02708	2.0
152.99597	1.2
161.04538	2.0
161.09644	2.5
163.09885	1.0
163.11270	17.9
164.11649	1.0
165.09282	0.6
179.05573	0.9
179.10672	0.9
181.12334	4.4
182.12703	0.5
189.09230	3.8
207.10245	100.0
208.10602	5.5
209.11800	1.7
225.11302	36.1
226.11655	2.1
235.08257	3.1
243.12424	0.6
253.09270	13.6
255.23248	1.9
256.23630	0.8
277.21704	89.5
278.22076	5.1
279.23145	0.8
281.13855	0.8
299.14969	1.5
441.33997	1.2
443.19354	5.3
461.20261	11.6
462.20349	1.4
467.31808	1.2
485.32468	1.0
615.82629	0.6
721.41705	33.7
722.41992	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	721.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40731	0.5
59.01380	14.0
61.64599	0.4
61.98821	2.2
68.99812	0.6
69.44221	0.4
69.44518	3.9
71.01384	14.7
73.02933	1.1
78.95918	0.9
83.01389	0.8
85.02949	3.5
85.03387	0.7
87.35522	0.5
96.96014	1.7
97.02894	0.5
98.95570	1.0
99.00883	0.8
99.92612	0.8
101.02453	3.7
102.37230	0.5
111.00894	1.5
113.02439	2.3
115.92092	0.8
116.92831	1.0
135.04529	0.6
141.77197	0.5
161.02403	0.7
161.04500	1.1
181.68695	0.5
207.10341	0.6
215.95204	0.8
216.96001	0.7
217.96771	0.8
249.18575	2.0
261.95764	0.8
265.18097	5.3
267.19598	2.8
277.21750	1.6
293.10123	0.6
309.20245	0.7
329.56326	0.6
383.24219	0.6
409.22409	4.2
411.23962	2.7
427.23264	7.8
429.24890	3.1
469.24387	8.8
470.24933	0.7
471.26083	3.2
510.93210	0.5
635.41309	0.9
677.42688	100.0
678.43024	17.8
703.22198	2.3
721.49243	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	8.8
61.98833	2.5
69.03453	0.5
71.01376	4.8
71.51657	0.4
73.02946	0.7
78.95918	1.8
80.34181	0.4
81.03451	1.3
82.25678	0.4
82.68941	0.4
83.01374	0.7
83.05016	1.3
85.02960	1.8
87.00861	1.1
89.02438	3.8
91.40276	0.4
97.02952	5.2
99.00883	1.4
101.02444	5.3
109.06588	16.4
110.03735	1.0
110.06891	0.5
111.04499	0.6
113.02458	3.0
115.03997	0.6
119.03481	0.8
121.06615	0.8
123.04582	0.8
135.08144	1.2
136.05310	0.7
142.02748	1.4
145.04999	0.7
152.99585	0.8
161.04556	1.6
161.09732	1.3
163.11278	8.9
165.09169	0.4
177.37775	0.5
181.12279	1.5
189.09209	2.1
207.10245	53.8
208.10593	2.6
209.11827	0.9
225.11311	15.3
226.11578	0.8
235.08214	6.3
253.09265	11.3
254.09709	0.5
255.23274	1.2
256.23688	0.7
277.21701	100.0
278.22037	7.5
281.13992	0.6
299.15051	0.5
403.66727	0.4
441.33527	0.8
443.19003	2.9
461.20181	4.0
467.31689	0.8
721.41620	25.6
722.42407	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	719.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	6.2
64.82590	4.3
65.24519	4.2
69.44333	34.0
89.02438	12.5
91.40691	4.5
92.92741	5.8
139.05853	4.4
141.07527	4.7
258.16629	5.5
302.90997	13.8
341.10828	27.9
377.08585	100.0
588.71588	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	718.3656
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37907	0.3
56.17893	0.4
57.78462	0.3
59.01364	0.9
61.98830	100.0
66.56306	0.4
69.35985	2.8
71.01401	1.1
72.99321	1.1
76.05510	0.3
78.95908	1.7
89.02456	0.4
92.35812	0.4
95.05018	2.5
97.06586	6.5
101.02501	0.4
109.06542	0.3
111.04545	1.0
115.07706	0.4
122.98525	0.9
133.02954	5.5
134.03676	2.0
135.04520	10.6
136.04840	2.6
137.02463	1.0
152.99594	0.7
159.06595	2.3
161.02444	19.9
162.02774	4.5
178.02721	0.7
179.03487	4.6
180.03856	1.1
183.24757	0.5
205.08675	0.8
223.09721	1.4
253.09183	0.5
255.23341	1.2
277.21713	5.7
285.20740	1.1
429.22861	1.7
430.22992	1.8
447.23615	2.4
448.24136	2.3
485.39151	0.4
625.06750	0.5
655.36975	12.0
656.37341	1.9
717.45953	3.3
718.46234	21.5
719.46674	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3651
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.4
61.98830	100.0
62.98530	0.6
62.99271	0.3
63.99255	3.1
66.06202	0.2
66.93208	0.2
68.27048	0.2
68.99587	0.2
71.01379	0.4
71.51427	0.2
78.95904	0.3
89.02437	0.4
97.06608	0.6
98.20702	0.4
99.58042	0.2
101.02426	0.4
112.98587	0.5
123.08201	0.3
125.09735	4.8
133.02954	1.2
134.03792	0.3
135.04543	1.7
153.70026	0.2
161.02431	3.2
162.02885	0.3
179.03548	0.7
187.09755	4.3
187.11377	0.3
188.10152	0.3
195.04097	0.3
199.69115	0.2
249.18658	0.5
253.09378	0.5
277.21741	0.3
405.17911	0.3
423.18939	0.9
429.22974	0.4
447.24643	0.3
496.13589	0.4
497.14175	0.5
512.16235	0.3
568.19537	0.4
599.21985	0.3
600.22003	0.7
655.36951	11.6
656.37195	1.8
658.22736	0.4
718.24677	2.5
718.46143	1.6
719.25031	0.6
719.47437	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.1
57.03445	4.0
57.36333	1.2
59.01377	60.2
61.98833	15.8
64.67212	1.5
69.03418	1.8
69.31892	13.7
71.01007	2.6
71.01382	41.1
71.56020	1.3
72.99305	2.9
73.02952	10.2
74.20859	1.5
75.00866	2.5
76.86431	1.3
78.91888	1.5
78.95895	4.3
81.03447	2.3
83.01393	8.5
85.02953	21.0
87.00884	3.8
89.02427	7.4
95.01363	5.2
96.96017	7.0
97.02944	2.9
98.95586	2.2
99.00871	6.1
101.02439	32.8
111.00864	4.9
113.02440	18.8
115.03976	1.6
116.92839	3.0
119.03434	2.2
124.01633	2.3
125.02430	8.3
141.01836	1.9
143.03514	4.8
157.08699	1.8
159.02994	2.1
161.02388	1.9
161.04515	5.1
169.93279	1.4
253.09290	1.6
276.81656	1.5
294.70688	1.5
469.31848	7.7
597.35388	1.8
613.35919	100.0
614.36322	15.5
615.36395	6.4
631.36957	62.6
632.37360	8.9
633.37079	2.5
646.05084	1.7
673.38019	9.5
674.37781	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.2
61.98833	15.9
62.74456	0.8
69.43668	6.4
73.06092	0.8
78.95907	5.9
88.26747	0.9
91.05522	0.9
97.06573	0.9
98.19873	1.1
117.03449	1.2
121.02940	1.3
122.98523	1.0
132.02151	1.5
133.02960	31.4
134.03778	10.4
135.04527	63.1
136.04904	2.2
137.02437	4.7
139.03999	1.0
152.99579	2.3
161.02440	100.0
162.02783	3.4
178.02681	1.8
179.03488	24.4
249.18700	1.4
253.21490	1.1
255.23306	2.5
277.21744	1.1
279.23428	1.1
285.20816	5.5
429.22916	11.9
430.23135	1.9
447.23947	15.6
641.52124	1.0
646.60071	0.9
717.45844	93.6
718.46252	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	3.5
55.09589	1.5
57.03439	2.8
59.01379	53.1
61.98829	18.3
64.99951	1.5
71.01384	39.5
71.51929	2.8
72.01720	1.8
73.02940	10.5
78.95908	4.5
80.43404	1.4
83.01393	7.6
85.02950	18.5
87.00887	3.4
89.02444	6.5
90.62724	1.6
95.01384	2.9
96.96022	3.5
97.02952	2.6
99.00871	4.7
101.02451	23.7
111.00871	6.1
113.02448	16.5
125.02452	5.7
129.01968	2.1
133.01410	1.8
143.03484	6.2
152.99638	1.8
155.09933	1.5
159.02945	3.1
161.04582	4.0
451.30380	2.2
469.31558	6.9
613.35895	100.0
614.36359	14.3
631.36993	60.4
632.37469	9.3
673.37842	10.3
674.38977	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	717.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01711	0.9
61.98831	55.5
69.89838	4.0
78.95907	3.7
84.83137	0.8
96.96959	0.9
98.20593	0.8
99.08125	0.9
132.35799	0.7
133.02946	11.4
134.03740	5.2
135.04527	27.4
137.02426	2.2
139.04022	1.4
152.99586	2.0
161.02441	41.6
162.02910	1.0
179.03497	10.4
212.78458	0.8
285.20786	2.0
429.22772	5.9
441.15738	1.2
447.23856	4.8
452.10992	1.0
453.12183	1.0
457.18802	1.4
459.16724	2.5
467.13318	1.3
473.18332	1.3
480.14172	1.4
481.11356	1.9
495.17313	1.6
496.13846	17.7
497.14438	8.1
498.15091	2.2
510.15775	4.4
511.16046	7.8
512.17157	4.2
513.17743	4.1
528.12732	1.4
538.14691	1.4
539.19507	4.0
544.16309	5.0
544.23663	0.9
545.16400	1.6
551.16223	1.1
567.18811	11.1
568.19208	3.0
570.18121	2.5
571.18323	13.2
572.18774	3.3
583.17883	1.3
589.19232	1.5
597.20117	2.0
598.20251	4.5
599.21503	33.4
600.21692	7.1
602.16388	2.9
625.19202	1.0
630.20282	1.2
631.20331	2.0
643.20032	1.4
657.21991	18.8
658.22449	4.4
716.44189	1.1
717.24316	83.6
717.45416	54.2
718.24506	23.0
718.45782	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	716.371
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84675	0.1
59.01375	0.1
61.98831	100.0
62.98536	0.1
71.01369	0.1
71.24021	0.1
75.69973	0.1
78.95931	0.1
89.02449	0.1
98.20685	0.2
99.76267	0.1
100.34068	0.1
101.02499	0.1
112.85654	0.1
133.03006	0.3
135.04541	0.6
161.02443	0.6
179.03525	0.2
255.23224	0.1
256.23660	0.2
285.20810	0.1
369.40683	0.1
384.68179	0.1
398.14041	0.1
399.13947	0.2
400.14456	0.1
429.23019	0.1
570.14392	0.1
717.46082	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.3
57.03435	2.9
59.01379	72.6
61.98811	3.7
65.99841	3.1
71.01382	32.0
71.07162	4.2
73.02945	34.1
76.39091	2.1
79.95743	3.9
83.01401	13.1
85.02934	9.5
87.00854	2.2
88.98775	4.1
89.02441	3.9
96.96008	100.0
98.95598	46.2
98.96367	5.5
99.92583	50.7
101.01798	3.4
101.02441	44.9
109.93361	6.6
113.02482	13.0
115.92067	9.7
116.92850	29.2
125.02435	5.8
125.74211	2.2
125.92887	15.4
131.03452	5.9
134.06126	2.8
137.02531	3.7
141.92427	3.1
143.03517	5.1
145.04044	2.4
146.02455	6.4
148.04027	10.0
149.04517	6.7
150.09200	3.1
155.03526	2.2
157.91846	2.9
159.05585	3.2
160.04076	3.0
161.04565	16.4
162.01985	2.7
164.03487	2.3
172.02751	3.4
173.03554	73.2
174.04315	16.6
189.06763	11.0
190.07414	4.3
203.05565	10.4
205.06140	3.1
213.06726	2.6
221.06633	14.2
221.15454	13.1
221.65582	3.6
225.45016	2.5
231.07730	8.0
232.08481	4.6
243.07730	4.4
250.09950	2.3
258.06528	4.0
263.07520	11.3
284.96503	3.1
286.09467	2.9
300.01785	2.5
305.08701	8.3
310.97681	3.3
311.98380	4.1
324.13483	5.3
325.99908	6.8
327.00668	11.6
336.99167	7.3
337.99811	4.4
340.01514	5.0
367.00171	3.7
368.00873	4.9
370.02646	9.2
382.17215	2.9
385.01495	2.9
386.02020	5.9
396.00314	4.4
404.21170	4.1
412.03690	4.5
420.02917	4.5
425.21762	7.8
425.30472	20.0
425.71960	6.7
426.30984	4.5
436.18677	5.1
443.31790	22.3
444.31906	3.4
445.06854	3.9
454.19827	9.1
455.19839	5.0
456.20459	4.0
458.04465	4.7
485.32632	6.6
486.33249	4.2
487.08719	3.3
489.06406	2.7
490.10999	3.3
502.10764	2.9
505.09442	6.0
513.06116	2.9
516.08850	3.9
520.11871	5.1
531.07373	55.3
532.07837	23.5
533.07813	3.4
534.09424	7.8
546.09076	19.4
549.08484	38.5
550.08575	12.9
560.08026	5.3
564.07025	3.6
617.25946	7.3
618.25830	3.5
619.26410	12.0
629.36206	3.3
637.17535	3.4
655.20160	2.9
681.16467	22.5
682.16486	6.4
689.39050	3.4
695.14691	4.0
699.17853	14.5
717.18341	16.3
718.18793	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	716.371
Annotation	Unknow
Peak:m/z	Relative Intensity
58.65248	0.1
59.01372	0.2
61.98829	100.0
62.98536	0.1
71.01403	0.1
79.74021	0.1
99.93536	0.1
114.42908	0.1
123.93640	0.1
137.94736	0.1
180.42365	0.1
181.20486	0.1
204.17007	0.1
255.23201	0.1
398.13895	0.1
399.14075	0.1
405.01657	0.1
418.15625	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	715.4426
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15269	0.2
70.97599	0.4
70.97928	0.3
78.95886	0.4
95.05066	0.3
99.08163	0.6
105.03481	0.5
107.05039	0.5
115.01896	0.3
117.03487	1.6
123.04488	0.3
132.02159	1.6
133.02957	27.0
134.03827	2.7
135.04527	21.8
136.04851	0.6
137.02426	0.8
142.37492	0.3
159.68994	0.2
161.02441	100.0
162.02776	3.5
169.12331	0.3
179.03496	6.7
239.20190	0.6
249.18523	0.3
255.23233	0.4
267.19650	2.3
268.20123	0.4
285.20700	9.7
286.21011	0.8
399.63861	0.3
429.22766	1.1
434.24319	0.2
447.23798	0.8
537.50970	0.3
553.40942	1.1
627.25964	0.3
697.42865	0.4
715.44257	47.4
716.44598	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	715.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.7
57.71650	0.4
59.01381	4.1
61.98854	0.7
64.61166	0.4
69.03456	4.2
69.28910	4.0
71.01380	4.4
71.05028	1.7
73.02968	1.1
78.95905	0.6
83.01377	0.5
85.02946	0.9
87.00907	0.7
89.02436	2.3
97.06595	0.7
101.02445	3.1
108.41193	0.4
108.58825	0.4
112.37624	0.4
113.02448	1.2
113.03181	0.5
119.03536	0.8
121.06539	0.5
123.08175	0.8
125.09715	2.0
149.09671	0.5
151.10268	0.5
151.11278	2.4
153.12814	1.0
161.02423	1.4
161.04596	0.6
161.09721	3.9
179.10786	7.5
180.10970	0.5
184.66177	0.5
197.11826	38.2
198.12166	2.4
204.36595	0.4
223.09793	1.1
235.08189	1.4
241.10838	1.7
253.09232	2.2
255.23282	71.0
256.23608	6.1
347.78937	0.6
459.18930	0.8
477.19724	0.9
631.30621	0.6
677.82074	0.6
715.42706	100.0
716.43054	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	715.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11163	0.4
55.01878	0.7
59.01379	4.7
61.97282	0.4
61.98836	0.7
67.01878	0.4
69.03449	4.5
69.66515	1.6
69.66924	0.6
71.01387	4.5
71.05021	1.4
73.02933	0.7
78.95913	1.0
83.01350	0.4
85.02968	1.5
87.00849	1.0
89.02437	2.6
95.01350	0.6
97.02972	0.6
99.00850	0.6
100.04095	0.4
101.02445	3.8
108.45548	0.4
113.02442	1.6
119.03587	0.6
123.08156	1.3
125.09743	2.1
133.02982	0.8
135.04529	0.9
151.11264	2.7
153.12819	0.7
161.02457	2.8
161.04572	1.0
161.09718	3.6
175.07803	0.4
179.10774	7.9
197.11830	41.4
198.12201	2.4
223.09666	1.5
235.08098	0.7
241.10802	1.8
249.18227	0.4
253.09358	2.1
255.23285	72.9
256.23544	5.1
435.78214	0.5
459.18997	0.9
475.47821	0.4
477.19858	1.4
605.97607	0.5
715.42731	100.0
716.43140	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	715.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.1
69.25977	6.3
70.38195	0.7
71.01376	1.6
93.03446	3.7
94.04761	0.8
96.96046	1.4
98.19872	1.3
101.59308	0.6
105.03448	1.0
108.02155	1.7
109.02950	1.6
115.00359	2.1
117.29774	0.7
119.04938	0.8
120.79093	0.7
121.02171	1.0
121.02964	13.3
122.03765	9.0
123.00913	1.1
123.04543	1.6
132.02179	1.0
133.01480	3.9
133.02933	3.0
134.03745	1.7
135.02975	1.3
135.04535	13.4
136.01666	24.3
136.05110	0.8
137.02501	5.3
145.02946	1.4
147.04518	2.3
149.02431	30.2
149.03633	1.5
149.06067	1.6
150.03227	54.3
151.04008	31.2
151.05000	0.5
151.05235	0.8
154.02794	1.1
159.04535	1.2
160.05243	1.5
161.02434	1.1
161.06064	1.3
162.03209	1.5
163.04010	3.6
164.04787	6.8
165.05565	53.0
166.05891	2.2
172.05264	2.2
173.06038	0.8
175.03979	8.7
175.07535	1.0
176.04570	1.8
177.01923	1.6
177.05530	2.1
180.04271	2.2
187.07549	0.8
189.05573	4.3
190.06346	10.0
195.06630	30.1
196.06969	1.3
205.08653	1.7
233.38063	0.7
236.04784	0.8
237.05415	1.0
241.05075	0.9
252.04250	1.8
267.06537	1.9
271.09821	1.1
275.09470	0.9
279.06778	1.0
284.07086	1.4
285.07657	2.5
299.09253	4.4
325.10980	0.8
327.12482	4.6
330.22015	0.8
339.12485	1.2
342.11005	1.9
343.11804	1.7
351.04956	2.8
353.10379	1.4
357.13422	25.8
358.13702	1.0
383.07434	1.1
416.48627	0.7
460.15341	1.6
475.17538	4.6
476.17957	1.0
487.17499	1.0
490.16400	2.9
505.18652	100.0
506.19019	12.9
523.19293	0.8
535.19586	1.8
553.20782	38.8
554.21198	5.7
667.70624	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82097	0.1
59.01376	0.4
61.98829	100.0
62.62988	0.1
62.98524	0.2
68.05690	0.1
71.01368	0.1
71.52302	0.1
78.95901	0.3
89.02415	0.2
90.25701	0.1
152.99561	0.2
183.00415	0.1
231.28584	0.2
249.18762	0.2
250.18889	0.1
311.28873	0.1
327.74374	0.1
365.52463	0.1
397.13364	0.2
398.14273	0.2
420.40659	0.1
594.91071	0.1
651.31860	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	715.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.1
61.98801	0.3
71.01384	0.5
75.91842	0.2
79.95735	2.8
82.03000	0.6
85.02975	0.3
96.96010	100.0
97.93133	0.2
98.19772	0.5
101.02485	0.4
148.04030	2.3
149.04816	1.0
150.05617	2.5
150.06752	0.3
150.09268	0.5
154.05075	0.6
160.04050	0.4
160.68195	0.2
161.04797	1.1
162.05615	0.4
164.03528	0.8
173.03551	1.3
173.16765	0.3
174.04318	2.9
174.05655	0.4
175.05090	0.6
175.06416	0.6
186.05571	0.3
187.06390	0.3
189.06735	1.2
190.07462	3.3
191.08116	0.3
203.08333	0.4
215.08174	0.4
217.07431	0.3
229.56787	0.3
231.07764	2.5
232.08487	5.2
233.09055	0.7
241.89049	0.2
242.08249	0.3
242.10701	0.3
243.07622	0.5
244.08281	1.7
245.09210	0.4
247.08743	0.3
259.10709	0.4
262.09647	0.4
285.08862	0.3
286.09680	1.0
299.13913	1.2
303.09958	0.4
304.10855	0.3
324.13623	0.5
382.17838	2.2
394.17868	0.7
412.18863	0.5
436.18866	1.3
437.17615	0.8
454.19815	9.3
455.19962	1.4
467.17120	0.6
534.66766	0.3
535.55682	0.3
545.24164	0.7
549.95374	0.3
599.25494	0.9
617.26117	16.5
618.26373	3.5
714.41907	0.6
715.42499	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98063	0.2
59.01390	0.2
59.45879	0.2
61.98828	100.0
62.62238	0.2
70.37844	0.3
70.38202	0.4
71.01379	0.2
75.00893	0.1
78.95908	0.4
88.98800	0.8
103.93145	0.1
128.37903	0.2
207.38658	0.2
253.21617	0.2
277.79108	0.2
300.16467	0.2
397.13647	0.3
398.13565	0.2
508.18689	0.2
624.32745	0.4
714.33191	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.4736
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01406	0.8
62.97332	0.9
71.01374	1.4
71.52315	1.4
77.59286	0.9
96.96012	1.5
115.00356	1.6
118.17534	1.0
133.01440	1.9
133.02940	3.2
135.04515	2.8
177.01965	2.5
213.09143	1.2
257.08228	1.2
474.32413	1.2
500.73645	1.0
597.21649	1.0
677.49872	2.6
713.47339	100.0
714.28107	1.3
714.47638	21.7
723.61084	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
65.49641	0.1
69.74410	0.6
133.01457	0.2
189.05621	0.1
323.21625	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	713.4132
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73417	0.8
55.08401	0.9
58.47686	0.8
58.82288	1.0
59.01377	12.7
60.54617	0.8
61.98833	7.9
71.01376	5.7
73.02936	1.8
75.32999	1.0
78.95904	4.2
83.01399	1.8
83.05037	6.1
84.61774	0.8
87.00868	1.8
88.98796	2.4
89.02448	4.1
95.04999	1.4
97.02937	1.1
97.06589	3.2
99.00865	1.8
101.02440	6.1
105.48477	1.0
109.06628	2.3
111.00228	0.9
113.02440	2.7
119.03497	1.8
125.02367	1.2
133.38345	0.9
135.08180	2.2
137.06055	2.2
152.99597	1.2
155.07181	6.6
161.04477	2.5
163.07607	1.0
171.10245	4.5
172.10605	1.2
173.08150	5.7
179.05515	2.0
181.08701	34.6
182.09012	1.8
199.09700	2.2
206.96394	1.0
222.72141	1.0
225.11331	2.3
235.08218	5.3
249.18457	1.6
250.18871	1.2
251.20021	2.7
253.09283	12.9
255.23268	5.9
268.12320	1.0
277.21716	100.0
278.21954	7.9
334.76370	1.0
397.13498	7.2
415.14343	2.0
713.40057	3.2
715.00580	1.0
729.46753	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	7.1
61.98835	9.2
63.54868	0.7
69.03449	3.1
71.01381	4.1
71.05042	1.0
71.08362	0.8
71.08714	1.7
73.00961	0.8
73.02940	0.8
77.07703	0.9
78.95911	2.4
80.96500	0.8
85.02959	1.3
85.98339	0.7
89.02444	2.8
91.83104	0.9
97.06583	0.8
101.02441	3.5
103.37971	0.7
113.02461	1.3
113.09724	1.0
123.08164	1.2
125.09749	1.8
131.11482	0.7
133.02951	4.9
134.03743	1.8
135.04527	9.9
151.11238	2.2
152.99648	1.4
153.12848	1.0
157.08711	21.9
161.02446	16.3
161.04529	1.1
161.09708	2.9
169.12315	0.9
179.03532	3.3
179.10803	6.5
197.11830	41.8
198.12126	1.6
201.14864	0.8
222.67096	0.8
223.09784	1.1
235.08351	1.0
241.10823	1.8
253.09352	3.9
253.21716	57.6
254.22064	3.6
255.23331	1.5
277.21744	11.8
281.24765	1.0
285.20749	0.9
287.25327	0.8
429.22952	4.6
447.23840	1.3
479.59372	0.9
693.26477	1.0
713.41412	100.0
714.41724	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	713.3965
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	34.7
61.98838	20.5
69.03467	3.2
70.38631	5.7
71.01385	32.1
73.02947	4.9
78.95915	10.2
83.01391	3.4
84.37621	1.8
85.02981	9.7
87.00893	19.7
88.98816	8.5
89.02443	27.3
95.05022	1.9
97.02977	5.8
98.20009	2.7
101.02448	34.6
113.02460	21.2
115.03987	1.8
119.03499	6.8
125.02459	14.0
125.06110	3.2
126.58755	2.1
129.26511	1.8
133.01471	2.8
143.03513	6.0
143.07176	5.5
144.14635	1.9
148.01643	2.2
152.99620	4.9
155.01851	1.9
161.04518	8.3
171.10300	5.7
179.05617	5.6
181.08719	3.0
185.11781	2.8
207.10277	2.5
225.11305	4.1
235.08270	14.7
249.18671	4.9
251.20164	3.1
253.09299	10.4
255.23294	100.0
256.23587	5.8
269.24838	3.5
277.21783	11.2
278.22083	6.8
279.22879	2.7
287.07779	7.9
305.08768	6.7
323.09790	3.1
397.13495	85.3
398.13672	6.3
415.14645	54.1
416.15161	3.1
469.60266	2.1
653.37567	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	712.5365
Annotation	Soyacerebroside I
Peak:m/z	Relative Intensity
58.00574	6.0
59.01378	100.0
61.98819	5.9
69.28883	14.4
71.01382	68.6
72.99314	7.7
73.02953	2.0
78.95901	1.9
83.01374	4.2
83.18914	1.6
85.02938	13.7
85.91825	1.6
87.00878	3.0
89.02442	91.6
95.01376	4.8
101.02444	53.1
112.07694	1.7
113.02447	25.7
119.03497	50.3
120.09995	1.6
131.03482	5.8
131.57259	1.7
143.03500	7.7
149.04520	5.5
161.04538	8.4
179.05603	19.1
225.22253	17.3
237.22246	1.9
253.21623	5.8
255.23250	3.6
266.48135	1.7
271.22766	7.2
278.22076	2.5
278.24841	4.9
279.23236	3.2
281.24661	3.4
282.25009	2.8
296.26016	4.6
423.25705	1.7
532.47308	56.8
533.47650	6.9
550.48553	23.8
551.48334	2.3
712.53668	55.3
713.53833	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	713.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.6
58.00573	1.8
59.01369	11.4
61.98830	88.9
63.99250	3.2
69.03445	3.1
69.31046	14.8
71.01375	8.1
73.02943	1.8
75.00836	2.0
78.95933	4.4
85.02954	4.2
87.15041	1.8
89.02438	4.1
92.69582	1.6
95.05012	2.3
97.02927	2.4
97.06587	4.8
98.19907	2.5
101.02438	4.3
109.36429	1.7
111.08109	1.9
113.02448	2.5
121.06593	3.9
123.08192	13.2
125.09718	2.4
135.04509	1.8
141.09218	28.4
151.11273	5.5
152.99545	2.2
157.95906	2.1
161.04547	2.4
167.07094	2.3
167.10796	2.6
169.12341	36.7
171.10240	5.0
177.01938	2.6
185.08247	3.9
185.11827	12.7
195.10280	2.5
197.11816	14.2
209.04483	4.6
209.11766	4.1
211.13545	2.5
213.11302	6.3
228.10368	1.8
253.09250	4.9
265.18176	3.3
281.17468	4.3
291.19510	8.7
309.20715	8.0
350.36243	1.8
356.97763	1.8
390.46683	1.9
449.20398	2.8
567.72772	1.8
685.13440	2.2
713.37518	100.0
714.37854	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	711.4
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.2
59.01376	23.5
60.16811	1.7
60.99323	1.6
61.98829	26.0
71.01381	11.0
71.52501	2.2
72.12489	1.5
73.02955	2.9
78.95892	4.7
83.05029	2.3
85.02941	2.2
87.00867	3.0
88.98803	12.6
89.02446	11.3
95.01407	1.8
95.05009	2.3
97.02951	2.7
101.02446	11.3
104.63303	1.5
109.06574	2.8
113.02433	4.4
125.02457	2.5
127.11276	1.5
133.01334	1.6
138.94316	1.5
152.99588	4.4
161.04623	4.1
163.11328	3.8
171.10272	100.0
172.10596	5.0
179.05666	2.0
181.12326	2.4
183.10243	3.4
189.09145	1.6
197.11829	3.6
201.11328	5.3
207.10231	14.0
209.11804	3.2
211.13422	5.6
225.11304	41.6
226.11644	4.9
235.08203	6.7
243.12430	2.6
249.18597	70.9
250.18961	4.9
253.09296	13.3
253.21748	19.6
254.21756	1.9
255.23199	2.2
277.21625	5.4
384.07101	1.7
397.13492	26.7
398.13544	2.6
407.19247	2.0
410.33969	1.8
415.14630	9.0
443.19586	2.6
461.20377	9.0
487.76239	1.9
531.36102	1.7
621.30310	3.9
693.39136	4.1
711.33167	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47195	0.1
59.01377	0.5
61.98830	100.0
62.98545	0.1
70.42070	0.3
71.01402	0.2
78.95910	0.3
92.75260	0.1
113.87518	0.1
121.24166	0.1
170.16154	0.1
183.10304	0.1
209.11819	0.2
211.13377	0.2
213.61226	0.1
245.60381	0.1
251.20299	0.1
253.09201	0.2
253.49506	0.1
265.18408	0.1
277.22000	0.1
294.98730	0.1
326.59058	0.1
376.67532	0.1
398.14142	0.1
399.14078	0.2
555.45642	0.1
622.10480	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	711.3966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59877	0.9
57.03452	1.0
59.01377	9.2
61.98815	2.8
63.76730	0.8
71.01379	6.7
71.05016	2.0
78.95911	1.0
83.01393	0.9
85.02938	2.0
86.06937	0.8
88.98793	1.7
89.02433	3.0
95.05035	1.1
95.10762	0.8
97.02946	4.2
97.06578	1.5
98.19884	2.3
99.00884	11.6
101.02431	3.8
109.06557	1.2
111.08146	0.8
111.85446	0.8
113.02383	1.6
119.03497	1.0
125.09738	5.4
127.11269	1.1
135.25087	1.0
142.02713	1.3
153.12740	1.3
161.04541	0.9
163.11266	8.0
171.10260	5.0
179.05525	0.9
181.12344	15.2
197.11736	2.2
199.13387	22.6
200.13644	1.9
207.10251	32.8
225.11316	59.9
226.11581	3.6
243.12347	16.1
249.18593	30.4
250.18896	2.8
253.09212	3.0
255.51503	0.8
277.21683	3.3
340.35669	0.8
397.13571	1.3
415.14740	1.7
443.19266	1.0
461.20215	11.9
462.20404	0.9
479.21112	4.0
480.76602	1.0
693.38361	5.4
694.38806	0.9
711.39551	100.0
712.39972	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	711.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06829	1.1
58.00587	1.6
59.01381	10.4
61.98838	7.7
69.03448	4.7
69.69308	1.3
71.01382	11.0
71.05015	2.4
73.02948	2.6
78.95897	4.8
85.02953	2.6
87.00860	2.4
89.02441	4.9
92.68215	1.3
95.04986	1.6
97.06593	3.2
98.20741	2.5
99.00858	1.7
99.08134	1.7
101.02442	8.3
105.44746	1.2
107.12489	1.3
109.06563	1.4
113.02448	2.7
119.03516	2.0
123.08149	1.6
125.06096	21.8
125.09693	3.7
135.08127	2.7
140.86115	1.2
143.07141	40.5
151.07603	1.7
152.99539	2.3
153.12871	2.8
161.04553	2.5
161.09750	2.7
169.08769	1.5
171.10239	11.6
179.07120	11.5
179.10747	6.7
184.04216	1.5
197.08202	10.1
197.11827	79.2
198.12122	4.7
201.11325	1.9
225.11275	3.6
235.08232	6.6
241.10754	3.1
249.18636	3.4
251.20160	30.8
252.20457	2.9
253.09290	12.3
255.23325	3.3
277.21710	83.1
278.22073	7.5
410.89417	1.3
477.19589	4.1
688.64587	1.4
711.39539	100.0
712.39990	20.1
712.71466	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80437	1.2
53.76053	1.3
59.01374	7.9
61.98106	1.1
61.98827	13.7
71.01382	12.2
73.02925	1.4
74.82633	1.0
78.95892	4.6
83.05005	1.6
84.51665	1.2
85.02961	2.1
87.00887	1.4
87.13049	1.3
89.02441	6.0
93.92252	1.2
95.01432	1.1
95.05000	3.5
97.02924	2.0
97.06610	1.4
98.19856	2.4
99.00830	1.1
99.08136	1.3
101.02432	4.3
109.06568	3.7
110.03735	2.0
111.29785	1.2
113.02441	3.1
115.28032	1.1
119.05125	1.1
123.04472	1.3
123.08127	1.3
125.06081	7.1
125.09695	1.7
127.11250	1.6
133.06566	1.4
135.08147	3.0
138.88712	1.1
143.07118	10.3
151.07660	1.6
153.09201	2.0
157.33377	1.0
161.04568	1.8
161.06111	1.4
163.11273	3.2
171.10269	100.0
172.10609	4.1
179.05630	2.5
179.07108	4.7
181.12202	1.4
197.08257	7.1
207.10257	8.6
223.09689	2.0
225.11317	43.4
226.11478	1.6
229.29385	1.4
235.08170	4.6
243.12224	3.3
249.18584	55.0
250.18863	4.8
251.20117	5.1
253.09259	16.2
255.23251	2.7
277.21698	42.8
278.22217	6.0
279.22592	2.2
281.18369	1.3
283.31436	1.3
316.40668	1.5
371.43579	1.4
407.19116	3.2
443.19662	1.7
461.20465	9.4
542.78217	1.4
693.38373	4.2
711.38898	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	1.1
57.03445	1.3
58.00591	2.1
59.01382	37.9
61.06865	1.0
61.46753	1.0
61.98827	19.9
62.04087	1.1
69.03454	2.7
69.34755	7.4
71.01385	30.8
72.99302	2.8
73.02940	4.9
78.95892	3.2
81.03426	1.8
83.01369	3.9
83.05011	1.3
83.95886	1.2
85.02934	5.4
87.00880	6.9
87.47055	1.3
88.98798	2.8
89.02444	27.5
95.01391	2.1
97.02954	6.9
97.06556	1.6
99.00887	2.2
101.02448	24.1
109.06571	1.7
111.00880	1.4
113.02459	10.3
119.03508	7.8
123.08030	1.4
125.02460	8.3
125.09763	1.6
131.09419	1.4
135.04520	1.1
135.08183	1.2
143.03484	3.7
152.99612	1.6
155.10808	2.1
158.84181	1.0
161.04530	6.0
165.09270	1.3
171.10271	21.4
179.05583	5.7
179.07028	2.0
185.11818	2.7
199.09758	1.2
199.31175	1.2
201.11324	4.3
207.10233	6.7
209.11781	3.3
211.13359	3.3
213.11209	1.2
225.11302	13.3
235.08206	13.6
249.18579	21.5
250.18953	2.0
253.09288	7.1
253.21719	66.5
254.22057	5.0
277.21704	3.2
287.07715	4.0
293.21146	2.5
294.21777	1.5
305.08783	2.7
397.13492	100.0
398.13815	6.3
415.14545	31.7
416.14697	2.3
461.20386	2.8
621.30359	2.2
651.36188	2.8
674.37549	1.4
711.38684	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	711.3962
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	1.8
58.98874	0.7
59.01379	7.7
61.98832	3.7
69.03456	1.0
70.84465	1.8
71.01378	5.8
71.05023	1.5
73.02954	1.4
83.05036	0.9
85.02939	1.3
87.00837	1.6
89.02451	2.4
95.05038	4.0
97.02946	1.2
97.06584	8.5
99.00877	27.3
99.08153	1.4
101.02459	3.9
101.47765	0.6
105.09953	0.8
113.02441	1.3
117.07099	2.2
123.04514	2.9
125.06075	1.0
125.09739	0.9
133.06555	0.7
135.08148	6.1
142.02725	0.9
143.07108	1.8
144.94420	0.7
153.08061	1.4
153.09219	16.6
161.04559	1.1
171.10265	9.9
172.10596	0.8
179.07138	3.3
197.08188	20.9
198.08406	0.7
201.11342	0.7
215.09296	3.7
235.08195	3.2
249.18532	2.5
251.20218	1.0
253.09244	3.4
277.21710	61.2
278.22058	6.4
279.22952	0.7
415.16098	1.3
433.17126	2.1
451.18118	2.5
513.30316	1.0
587.71478	0.8
693.38287	3.3
711.39575	100.0
712.39978	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	711.3782
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	42.2
60.99301	10.7
61.98834	18.2
69.03433	3.2
70.47886	1.9
71.01379	38.4
72.99317	4.7
73.02957	6.4
75.00903	2.0
78.95901	5.5
83.01389	4.4
85.02969	6.7
87.00880	5.3
88.98814	42.0
89.02447	29.5
90.29934	2.0
95.05037	2.6
97.02964	6.7
98.20657	4.9
101.02435	25.4
109.06580	2.7
111.04517	4.2
113.02441	14.1
119.03489	7.9
119.05009	2.2
125.02465	11.4
135.04523	5.2
141.01810	1.9
143.03542	5.0
152.99532	3.9
161.02428	6.4
161.04575	6.2
161.09717	2.8
163.07295	2.2
163.11235	2.8
171.10269	48.8
179.05719	5.1
181.08496	2.0
181.12422	2.2
185.79012	2.6
197.11777	3.0
201.11284	6.4
207.10231	15.7
223.09737	2.9
225.09148	1.6
225.11301	40.9
235.08211	14.0
249.18590	56.1
250.18977	4.2
253.09250	11.3
253.21719	85.5
254.22079	4.8
255.23158	2.5
268.39627	2.1
277.21838	5.2
287.07675	3.5
305.08817	3.9
308.91806	2.0
353.21945	1.9
397.13507	100.0
398.13733	4.2
415.14539	34.3
443.19363	2.5
461.20184	5.0
475.27399	2.9
523.73804	2.4
621.30493	17.4
622.30646	3.8
651.36462	4.3
693.38550	3.8
711.38269	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	711.3782
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44541	2.0
55.66529	2.1
58.00603	2.8
59.01108	4.2
59.01381	52.2
60.99309	6.8
61.98833	25.3
70.58963	2.2
70.59288	5.3
71.01385	36.5
72.99323	3.0
73.02952	9.8
73.25089	1.8
75.29390	2.1
78.95918	6.8
81.03476	2.4
83.01405	4.2
85.02968	6.2
87.00884	6.5
88.98801	41.9
89.02437	33.1
90.84317	2.7
95.05032	2.1
97.02956	6.0
99.00912	2.5
101.02455	21.9
108.67864	1.9
109.06590	2.9
111.04515	2.7
113.02458	13.2
119.03522	8.0
125.02455	9.7
132.52847	2.0
135.04485	6.7
137.26920	2.1
143.03467	5.5
152.99550	2.9
153.26112	2.3
161.02486	5.3
161.04524	7.2
163.11320	2.8
171.10257	48.4
172.10628	3.5
175.75140	2.2
179.03406	2.5
179.05623	8.4
179.10750	2.8
185.62848	2.1
197.11833	4.2
198.15509	2.2
201.11333	5.9
207.10342	13.1
224.10191	2.3
225.11319	36.8
226.11639	2.3
234.62329	2.2
235.08092	14.8
236.08597	2.3
249.18559	52.5
250.18936	6.1
251.19168	2.5
253.09195	14.2
253.21721	88.0
254.22075	6.7
255.23203	5.0
293.21240	4.1
305.08658	5.1
397.13470	100.0
398.13858	6.3
415.14511	29.4
457.26071	2.8
461.20078	8.0
621.30493	17.9
622.31372	5.0
651.36340	2.5
693.38007	3.4
711.38531	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	709.4812
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	4.5
61.98827	2.2
65.97546	0.9
69.16142	2.2
69.16541	7.2
71.01376	1.1
78.95905	21.2
78.96329	1.8
79.95730	2.9
80.96516	9.7
90.44097	0.8
92.69007	0.9
94.98089	2.7
106.75864	1.0
106.98066	1.3
110.98528	13.3
114.10120	0.9
133.59801	1.0
148.99097	1.2
152.98561	1.3
152.99638	1.7
164.98532	2.1
167.01160	6.3
176.04807	1.3
196.23062	0.9
205.19469	1.4
225.00755	4.0
253.21761	1.0
255.23286	63.4
256.23630	3.9
259.24164	4.8
260.24716	0.9
277.21689	2.8
279.23267	25.8
280.23718	2.4
281.24997	1.0
303.23282	100.0
304.23709	10.4
339.88452	1.0
405.24014	1.4
423.25223	11.1
447.25037	1.4
646.72742	1.1
709.38013	16.6
709.48419	11.2
710.38269	4.4
710.49231	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	710.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.6
61.98830	100.0
71.01393	0.2
89.02465	0.2
98.20726	0.3
159.43956	0.1
178.99771	0.1
241.82953	0.1
243.69882	0.1
281.94861	0.1
398.14008	0.1
399.13669	0.1
582.02051	0.1
613.14185	0.1
630.87189	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49005	0.1
55.23229	0.1
59.01103	0.2
59.01377	2.0
61.98830	100.0
62.98554	0.2
63.44272	0.1
71.01395	0.4
98.19814	0.2
101.02522	0.2
133.01448	0.1
139.07697	0.3
165.53931	0.1
207.10330	0.2
209.11836	0.2
211.13417	0.1
225.11295	0.2
249.18663	0.1
250.19202	0.1
253.09247	0.2
265.18265	0.2
293.21381	0.2
400.14578	0.1
519.23297	0.1
710.35211	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	709.38
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.9
55.42158	0.3
55.82647	0.3
57.03451	2.6
59.01382	8.3
61.98818	1.4
64.76167	0.4
67.01888	0.5
69.03458	1.7
70.66270	0.7
70.66647	0.7
71.01383	6.7
71.05022	1.4
72.99332	0.5
73.02943	1.5
78.95901	0.4
81.03465	0.7
83.01360	0.6
83.05029	0.7
85.02937	1.2
85.61099	0.3
87.00882	0.8
89.02440	2.5
93.03445	0.8
95.01374	0.7
95.05025	7.0
95.14051	0.4
97.02956	1.0
97.06586	8.7
99.04500	0.6
101.02447	3.5
105.07111	0.4
111.04520	0.6
113.02451	2.0
115.62257	0.3
119.03474	0.7
121.06606	0.6
123.04496	0.4
123.08164	19.8
124.08504	0.6
125.09744	1.9
126.73588	0.3
131.04997	0.4
133.05002	0.5
133.06592	4.8
137.05968	0.4
141.09213	0.9
143.03528	0.7
151.07646	11.8
152.07896	0.6
161.04562	1.1
169.08694	32.1
170.08995	0.8
177.05580	1.4
195.06609	3.6
195.10287	1.6
200.93063	0.4
213.07712	1.9
235.08179	1.2
246.22533	0.3
249.18550	1.2
253.09245	4.0
277.21701	66.0
278.22073	5.2
281.24826	0.5
431.15665	1.0
449.16714	1.8
547.32373	0.5
695.91315	0.4
709.38007	100.0
710.38318	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	709.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	3.2
59.01388	10.1
60.07127	1.2
60.11388	1.2
61.98824	13.1
69.85406	6.8
71.01379	7.1
73.92887	1.3
78.95904	15.3
79.95679	1.5
80.96511	3.6
83.05018	2.1
85.02946	2.0
87.00883	1.9
89.02457	4.2
94.98120	1.7
95.05061	2.4
97.06561	11.4
97.07028	1.0
101.02464	4.0
113.02454	1.8
119.03486	2.1
123.08175	7.6
125.09725	97.9
126.10103	3.1
152.99606	16.5
156.61043	1.3
164.24019	1.4
169.08638	2.8
169.12334	2.4
171.00714	2.0
171.10352	1.8
179.05580	1.5
183.10301	1.4
187.09753	74.7
188.10144	2.5
197.11900	1.6
201.11299	14.3
209.11795	15.7
227.12891	1.8
253.09422	2.5
253.21802	4.2
255.23395	3.6
260.29053	1.3
261.13602	1.9
277.21762	7.8
279.23367	5.3
281.24933	3.6
303.23279	7.5
310.41843	1.6
325.18588	1.5
405.17514	6.6
423.18695	20.1
424.19141	1.8
455.17126	3.2
472.33655	1.4
473.17938	15.0
691.38287	2.4
709.41553	100.0
710.42023	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86473	0.3
53.81149	0.3
55.01869	0.6
57.03446	1.2
59.01377	11.2
61.98824	1.9
66.30691	0.3
69.03462	4.5
71.01382	5.5
71.05017	2.5
72.99307	0.5
73.02950	1.2
75.00861	0.3
78.95923	0.6
81.03442	0.7
83.01384	1.0
83.05042	1.1
85.02953	1.5
87.00866	0.7
89.02445	2.9
89.02942	0.3
95.01392	0.5
95.05043	0.5
97.02950	0.8
97.06602	0.8
99.00889	0.6
101.02444	4.3
109.06548	0.3
111.04568	0.5
111.08192	0.4
113.02447	2.3
119.03510	1.1
123.08155	1.3
125.02414	0.3
125.09723	2.1
133.06598	0.4
137.09727	0.4
145.05035	0.4
150.42291	0.3
151.11263	2.7
153.12849	2.0
161.04541	1.3
161.09717	3.1
169.12338	2.1
171.10239	1.1
177.05536	0.8
179.05722	0.4
179.10765	6.7
179.12253	0.6
197.11826	92.5
198.12166	4.2
199.13329	0.3
205.08778	0.6
211.13434	0.3
223.09822	2.2
231.17455	0.5
235.08093	0.3
241.10809	4.4
249.18591	23.8
250.18970	1.5
253.09325	3.7
255.23184	0.4
277.21753	2.5
278.21835	0.6
303.23331	0.8
403.11374	0.3
433.20935	0.5
459.18915	1.5
467.87967	0.4
477.19595	3.1
547.32666	0.6
691.36926	1.0
709.38013	100.0
710.38373	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	709.364
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41853	1.1
55.01868	1.6
57.03437	2.1
58.00590	2.3
59.01380	60.7
61.98825	6.6
69.03457	3.0
71.01377	30.9
72.99313	3.3
73.02946	6.5
75.00838	1.8
81.03439	2.4
83.01388	4.0
83.05044	1.7
85.02958	7.4
87.00876	8.0
89.02447	29.8
95.01379	2.1
95.05049	1.3
97.02928	6.2
98.20650	3.3
99.00870	2.9
101.02444	23.8
109.06555	2.0
112.98565	1.4
113.02444	11.6
118.80289	1.3
119.03500	9.2
125.02436	10.3
131.03523	1.6
133.01476	1.3
135.04558	1.7
135.08134	3.3
143.03497	4.3
149.04558	2.1
161.04565	3.9
163.07628	3.8
179.05573	5.8
179.07135	7.3
181.08698	5.5
197.08173	3.2
197.11737	2.5
207.10265	3.9
209.11841	6.5
211.13383	1.8
221.06671	1.3
225.11385	1.7
233.19099	1.2
235.08250	13.1
251.20152	90.9
252.20467	6.7
253.09328	9.1
263.16602	2.8
265.17871	1.5
275.20084	2.0
287.07669	3.3
291.19632	1.9
293.21286	9.3
305.08835	4.7
309.20676	3.1
397.13489	100.0
398.13846	6.5
415.14539	36.1
416.15024	3.2
487.34503	1.8
529.96704	1.3
649.34595	3.3
709.37372	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.0
57.69437	0.9
59.01374	21.2
61.98830	5.8
62.17780	0.8
63.54617	0.8
68.31808	1.0
69.20611	2.5
69.21016	6.2
71.01385	9.6
73.02953	4.9
85.02946	2.8
87.00809	1.2
89.02427	3.9
93.67272	1.1
96.96021	1.5
101.02444	7.0
113.02474	4.5
116.92867	2.5
120.87566	1.2
133.01445	2.0
133.02959	1.3
135.04514	3.0
157.06601	1.0
161.04549	1.3
172.05318	2.2
173.06065	100.0
174.06433	5.4
179.03467	1.0
183.08096	2.7
185.06096	3.5
186.06834	3.9
187.07530	1.4
188.04811	0.9
199.07632	1.5
201.07411	1.7
201.09207	27.1
202.09460	1.2
245.08139	6.6
278.07770	1.2
343.28027	1.0
399.21664	1.7
487.32709	1.1
491.27924	1.0
505.33502	1.1
537.29651	0.9
561.27002	8.4
579.28119	26.9
580.28375	3.9
621.29126	77.6
622.29468	14.4
649.38287	7.4
656.64893	1.1
667.38873	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.8
55.32700	1.5
58.00593	1.7
59.01378	91.7
61.98829	9.8
67.01188	1.4
69.03436	1.6
71.01382	30.1
71.44176	2.4
72.99268	1.9
73.02940	4.9
75.00862	1.9
78.95902	2.4
81.03474	2.5
83.01378	3.5
83.05035	3.6
85.02941	5.2
87.00857	7.3
89.02442	24.7
94.31197	1.4
97.02931	5.6
101.02457	21.7
109.06598	8.6
111.04447	1.8
113.02443	11.6
119.03461	7.4
125.02435	9.6
133.01381	3.3
135.04547	1.8
135.08090	3.8
143.03531	4.1
161.04504	5.6
163.11244	6.0
171.10289	2.0
179.05566	6.6
179.07043	2.5
181.08759	1.7
207.10225	18.0
207.13789	1.6
209.11800	6.5
213.70706	1.5
225.11307	12.0
235.08192	11.1
247.16998	5.5
251.20134	86.0
252.20406	5.5
253.09291	8.8
255.23372	2.3
263.16504	2.3
265.18060	11.0
269.96600	1.7
273.57864	1.4
279.23257	2.0
287.07584	5.0
291.19626	2.5
293.21194	3.9
303.23114	2.5
305.08710	3.1
309.29980	1.7
397.13477	100.0
398.13602	6.5
415.14502	27.0
416.14835	2.5
461.20111	4.9
649.34344	3.3
709.38495	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	707.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26589	3.6
57.08539	3.4
59.01376	23.3
61.71677	3.1
61.98818	16.4
71.01381	8.5
82.02995	8.3
88.98842	3.8
98.19888	13.5
101.02449	6.0
110.23584	3.1
148.04051	25.2
149.04826	9.4
150.05611	17.4
150.09213	4.2
154.05118	3.7
155.37796	3.5
156.61937	3.0
161.04745	7.1
162.05624	4.8
164.03479	7.4
173.03522	9.4
174.04346	29.3
175.05057	7.3
175.06422	5.3
184.47107	3.2
189.06648	12.5
190.07451	35.7
201.07848	6.7
202.07419	6.0
205.04420	3.3
229.84378	4.8
231.07657	18.5
232.08492	42.5
233.09167	10.4
242.08179	5.2
244.08411	8.0
286.09558	9.7
290.64902	3.8
299.13989	11.1
304.77362	3.7
309.20581	7.8
324.13647	6.3
337.10641	3.9
343.56235	4.6
382.17822	17.2
394.17429	5.9
436.18616	17.3
437.17047	4.0
454.13446	5.8
454.19821	100.0
455.20053	11.6
542.27350	4.3
549.68445	3.9
599.25085	4.5
617.26233	89.1
618.26459	17.2
627.06519	4.0
707.39294	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	708.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
70.34513	0.9
71.01404	0.6
78.95897	0.8
78.98560	0.4
79.95736	0.6
80.96514	5.9
94.98103	1.0
112.98473	0.3
119.09417	0.4
122.97601	0.4
134.97548	0.5
152.99660	0.4
164.98694	0.7
225.00764	1.3
232.59831	0.4
255.23347	1.0
277.21756	1.4
278.21927	0.9
279.23199	1.9
439.50064	0.4
516.67664	0.4
691.38245	0.5
709.38312	9.2
709.49780	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.1
57.03448	1.4
57.18662	0.8
59.01378	27.2
61.98830	16.3
69.03457	0.9
69.33282	1.4
69.33618	6.1
69.81490	0.7
70.02967	1.2
71.01386	13.0
72.99320	0.8
73.02954	4.2
82.03000	0.7
83.01373	3.7
83.05020	1.4
85.02953	7.3
86.00111	1.0
86.02472	2.4
89.02443	1.7
95.01385	1.8
96.08184	1.8
96.96021	1.3
98.02464	1.3
99.00874	1.7
101.02446	9.7
102.37355	0.7
105.03439	0.8
111.00850	1.3
113.02444	5.7
115.00364	0.7
123.08141	1.1
124.01621	1.0
124.07671	3.0
126.09197	0.8
133.01418	2.1
135.04544	1.7
136.07648	1.8
143.03497	1.2
148.04062	1.2
149.04817	1.2
150.05600	2.7
160.69768	0.7
161.04608	0.9
164.03568	0.9
172.09764	1.0
173.03534	1.1
174.04320	2.3
175.05103	0.9
178.02562	0.7
189.06631	1.2
190.07468	2.7
209.04521	1.4
213.10367	0.9
231.07613	1.4
232.08466	3.8
241.21709	3.3
286.09674	1.0
286.23871	1.9
299.14102	1.3
309.20569	0.9
328.24832	1.2
351.20853	0.8
366.30127	1.7
382.17560	1.4
396.31320	1.0
403.27164	1.1
414.32388	1.2
431.26501	3.4
436.18887	1.2
449.27505	1.9
454.19717	9.4
507.35794	0.8
525.38263	0.7
545.24078	0.9
558.36554	2.4
559.36847	0.9
576.37250	1.4
599.25061	1.0
602.35577	2.9
617.26154	8.9
620.36310	3.3
662.37555	100.0
663.37939	15.6
706.37769	2.0
707.39270	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	705.4946
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.1
61.98831	3.2
67.14904	0.3
71.51865	0.4
71.96418	0.3
78.95911	0.5
89.03983	0.4
93.03469	0.7
95.04966	0.3
106.04252	0.6
107.05046	0.9
117.03437	1.2
119.11720	0.3
121.02967	1.1
121.25408	0.3
132.02187	1.0
133.02957	23.8
134.03755	10.5
135.04526	55.6
136.04857	1.5
137.02438	5.9
139.03998	2.1
149.02444	0.3
150.03195	0.6
152.99641	0.5
160.01648	0.5
161.02438	70.7
162.02805	2.0
178.02750	2.1
179.03496	21.6
180.03856	0.5
209.11729	0.3
238.23692	0.3
269.21338	0.5
277.21762	1.1
287.22266	4.5
417.26532	0.5
431.24341	7.0
432.24518	0.6
449.25452	4.6
450.25769	0.6
515.77478	0.3
705.49432	100.0
706.49731	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01351	3.6
61.98807	3.0
65.11143	0.9
69.03446	0.9
69.79478	5.1
71.78966	0.9
76.12326	0.8
78.95902	41.6
95.05000	1.2
96.96922	1.3
98.20586	1.4
110.98515	8.0
115.03968	1.4
141.43469	0.8
152.99580	32.3
153.12822	1.2
163.62523	0.8
167.01057	3.8
171.00571	1.5
171.10280	1.0
179.10725	2.5
197.11804	22.5
201.09067	1.3
241.10817	10.8
248.66803	1.0
255.23280	6.5
277.21713	100.0
278.21878	3.8
377.09778	3.3
391.22021	1.0
445.23297	3.8
451.13876	5.6
469.14838	12.3
470.15973	1.0
705.35638	31.5
705.44629	2.6
706.35529	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	705.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25680	3.3
59.01381	69.8
61.98830	13.9
62.87025	3.5
71.01382	43.5
72.99320	6.9
73.02943	18.4
74.52341	3.5
83.01380	7.5
85.02968	9.1
87.00883	6.0
89.02461	15.5
96.96017	17.4
101.02452	17.5
113.02420	10.0
115.00401	5.4
123.08157	4.0
133.01398	6.0
135.04536	56.4
151.03992	6.9
168.47023	4.8
174.62163	3.7
179.03587	5.9
197.09738	4.7
197.11761	4.7
209.11951	5.9
212.08418	6.7
277.10870	10.3
297.76321	3.8
351.19669	17.8
369.20914	28.3
395.18353	12.0
513.25055	7.8
531.25812	44.9
532.26062	7.8
573.27039	100.0
574.27362	17.4
617.26111	35.7
618.25867	8.9
705.34723	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	705.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25680	3.3
59.01381	69.8
61.98830	13.9
62.87025	3.5
71.01382	43.5
72.99320	6.9
73.02943	18.4
74.52341	3.5
83.01380	7.5
85.02968	9.1
87.00883	6.0
89.02461	15.5
96.96017	17.4
101.02452	17.5
113.02420	10.0
115.00401	5.4
123.08157	4.0
133.01398	6.0
135.04536	56.4
151.03992	6.9
168.47023	4.8
174.62163	3.7
179.03587	5.9
197.09738	4.7
197.11761	4.7
209.11951	5.9
212.08418	6.7
277.10870	10.3
297.76321	3.8
351.19669	17.8
369.20914	28.3
395.18353	12.0
513.25055	7.8
531.25812	44.9
532.26062	7.8
573.27039	100.0
574.27362	17.4
617.26111	35.7
618.25867	8.9
705.34723	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	705.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38845	0.5
51.62930	0.5
56.14312	0.6
59.01377	13.1
61.98825	1.1
64.95242	4.4
71.01376	4.4
71.51000	0.6
71.51405	0.9
71.99125	1.2
73.02944	2.2
74.00693	12.0
79.02929	0.5
83.01353	0.8
85.02948	1.9
86.02516	1.0
89.02448	1.6
92.05058	27.1
96.96001	9.5
101.02415	3.7
107.05019	1.8
113.02430	1.7
115.00340	2.1
116.92837	1.2
117.99773	1.0
120.01244	100.0
121.01572	0.9
121.02912	0.6
122.03746	1.2
124.01617	0.9
125.02436	0.6
133.01392	1.7
135.02980	1.2
135.04524	10.3
136.02361	3.9
143.03564	0.6
151.98460	5.1
161.02405	0.7
161.04521	0.9
164.39391	0.6
173.13043	0.7
177.09125	3.5
177.10417	14.6
194.54272	0.6
205.08670	9.4
225.83525	0.6
255.06401	0.7
277.10754	4.4
317.17203	1.2
318.11948	0.7
321.09766	3.0
335.18219	1.0
342.09360	2.9
377.19186	2.4
400.33423	0.6
411.15652	0.8
499.18222	0.7
541.63080	0.7
645.34625	3.1
652.81500	0.7
663.35980	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
63.46008	0.5
67.09676	0.5
69.66467	3.0
71.01382	8.8
72.99305	1.0
81.03489	0.7
87.31746	0.5
89.02467	0.6
89.03976	1.4
96.95998	0.6
105.03437	2.6
107.31960	0.5
115.00373	17.7
119.05031	23.2
120.05369	0.5
133.01430	51.3
133.02924	7.9
134.01778	0.7
135.04553	0.8
149.02411	0.8
163.04005	34.2
164.04391	1.2
177.01923	100.0
178.02283	3.4
180.96227	0.5
249.80270	0.5
249.89594	0.5
279.05130	2.7
316.41986	0.6
334.63672	0.6
381.08182	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
69.62661	25.2
69.63063	10.0
74.99084	34.7
79.95741	14.2
95.95243	45.6
96.96010	100.0
103.67793	6.3
153.05740	5.7
164.47348	5.6
276.45087	6.7
408.04288	96.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09845	0.1
54.79467	0.1
59.01377	2.6
60.01701	0.1
61.98830	100.0
62.98539	0.1
66.94757	0.1
67.82567	0.1
69.17525	0.1
69.17864	0.9
73.45977	0.1
121.64420	0.1
340.42776	0.1
483.15332	0.2
484.15396	0.6
498.17264	0.3
543.17053	0.2
556.18854	0.2
557.18396	0.5
558.19299	1.4
574.16144	0.1
575.15912	0.3
589.18024	0.2
643.23358	0.1
644.22827	0.8
655.39142	0.1
704.23932	2.4
705.23175	0.4
708.55872	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	703.479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05767	0.4
55.77427	0.4
57.49587	0.3
57.75235	0.4
61.98831	4.7
62.33707	0.3
70.27907	1.1
88.75365	0.4
93.03466	0.7
105.03480	0.4
106.04250	0.5
107.05039	0.9
117.03471	1.8
121.02909	0.5
132.02188	1.1
133.01929	0.8
133.02954	23.0
134.03755	8.5
135.04523	50.2
136.04878	1.3
137.02441	5.5
139.04004	1.5
144.08859	0.4
150.03139	0.5
160.01685	0.5
161.02440	67.2
162.02803	2.5
171.10201	0.6
178.02736	2.5
179.03496	20.5
180.03854	1.2
195.05476	0.4
250.28642	0.3
255.23279	1.7
285.20657	1.2
287.22226	3.4
429.22641	1.1
431.24319	5.9
447.23593	0.7
449.25348	3.6
464.73309	0.5
553.98627	0.4
703.47876	100.0
704.48212	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3923
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81773	1.0
57.01485	1.3
58.92631	1.1
59.01378	41.2
63.35696	1.0
71.01370	2.7
71.51826	1.5
72.99294	3.4
81.31028	1.1
87.73377	1.0
96.95993	2.6
103.05484	1.7
115.00346	2.9
119.05045	7.7
133.01433	4.1
135.04562	1.7
143.45450	0.9
147.04523	100.0
148.04826	3.7
163.07605	2.0
165.05569	87.3
166.05888	2.0
179.03418	1.1
199.53094	1.0
207.06610	62.5
208.07043	1.4
210.43832	1.0
233.96692	1.1
237.09251	1.0
251.09581	3.2
354.67331	1.1
415.15082	1.0
452.24649	1.1
562.37555	1.3
584.65839	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49771	3.1
52.35862	3.5
54.21959	3.2
55.30408	2.9
55.43652	3.5
61.98823	15.4
66.19536	3.2
69.74348	21.1
78.95914	9.4
91.23232	3.2
120.09261	3.3
133.02939	21.8
134.03755	6.7
135.04532	36.8
136.04874	8.8
137.02408	4.5
150.36539	3.3
152.99544	6.6
161.02431	51.6
161.61853	3.6
162.02751	11.8
163.02875	3.7
164.76523	4.0
179.03450	11.5
180.03848	4.4
188.95531	3.5
209.11804	3.7
211.58437	3.9
255.23347	19.1
256.23590	7.4
277.21768	6.2
304.88074	3.3
374.32938	3.6
517.04382	3.7
624.46814	3.8
702.46997	6.7
703.47467	100.0
704.47949	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	703.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49771	3.1
52.35862	3.5
54.21959	3.2
55.30408	2.9
55.43652	3.5
61.98823	15.4
66.19536	3.2
69.74348	21.1
78.95914	9.4
91.23232	3.2
120.09261	3.3
133.02939	21.8
134.03755	6.7
135.04532	36.8
136.04874	8.8
137.02408	4.5
150.36539	3.3
152.99544	6.6
161.02431	51.6
161.61853	3.6
162.02751	11.8
163.02875	3.7
164.76523	4.0
179.03450	11.5
180.03848	4.4
188.95531	3.5
209.11804	3.7
211.58437	3.9
255.23347	19.1
256.23590	7.4
277.21768	6.2
304.88074	3.3
374.32938	3.6
517.04382	3.7
624.46814	3.8
702.46997	6.7
703.47467	100.0
704.47949	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	702.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.6
61.98830	100.0
64.37948	0.2
78.95917	0.2
88.98805	0.1
92.58596	0.1
94.74690	0.1
98.20809	0.2
101.15295	0.1
119.05038	0.2
119.43355	0.1
135.04568	0.2
145.03009	0.3
161.02513	0.2
163.04074	0.2
171.10292	0.9
172.10666	0.6
173.10805	0.3
249.18777	0.4
250.18857	0.3
251.19481	0.2
255.23392	0.2
276.20984	0.2
277.21762	0.3
278.21985	0.2
409.83771	0.1
424.70026	0.1
550.16278	0.2
702.46509	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13308	0.2
59.01383	5.1
60.01708	0.2
61.98830	100.0
69.38592	0.5
69.39001	1.2
78.95921	0.8
80.03472	0.2
81.50431	0.2
85.87919	0.2
86.89068	0.3
95.93684	0.2
98.19930	0.5
103.90250	0.3
114.17776	0.2
116.28187	0.2
126.61819	0.2
133.03014	0.6
134.03728	0.2
135.04527	1.2
143.07176	0.5
152.99568	0.3
161.02478	1.6
179.03497	0.4
195.95169	0.3
201.30148	0.2
247.17937	0.3
255.23384	0.4
277.21783	0.6
278.22159	0.4
325.62811	0.3
481.15506	0.8
482.15454	1.9
483.14963	0.4
496.17346	0.6
541.17102	0.4
555.18976	0.7
556.19037	3.8
557.19324	0.9
573.15887	0.7
642.22900	1.9
643.23254	0.6
702.24988	3.7
702.46210	0.8
703.24634	1.5
703.47430	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.3
60.01505	0.4
69.20756	4.1
71.01379	1.2
72.32444	0.4
84.04531	0.6
95.03764	1.4
96.08167	1.0
96.96025	2.0
97.01698	0.7
98.20715	0.9
101.02464	0.6
104.05037	0.6
106.06629	4.6
113.02479	0.5
115.00391	1.1
120.04468	0.6
122.06122	1.7
124.07677	4.6
125.02436	0.6
132.04553	26.8
132.80846	0.4
133.01404	1.4
133.05347	10.4
134.06146	2.8
135.04497	1.3
138.05690	0.5
148.04048	1.7
149.26605	0.4
150.05589	2.1
165.04306	19.7
165.05698	1.0
166.04681	0.8
176.03564	0.6
176.07133	0.6
177.04324	1.8
178.05080	0.8
179.03545	1.1
186.09262	1.5
197.88376	0.5
198.09259	0.7
205.60655	0.5
209.03294	6.0
212.16394	0.5
213.06638	1.8
214.12395	3.8
215.11856	5.4
226.07468	0.4
229.09837	2.3
239.14244	0.5
240.10310	1.0
241.09773	2.2
255.11313	1.3
257.12933	16.6
258.13248	1.7
270.73810	0.4
270.92175	0.5
283.10886	5.5
301.11880	9.6
302.12329	0.5
309.19989	0.5
327.09821	1.0
345.10886	100.0
346.11218	6.1
355.04486	0.8
356.05264	0.5
356.09549	1.0
475.94077	0.4
575.55670	0.5
649.57391	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.463
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52750	0.4
70.97177	0.9
78.95930	0.4
81.84859	0.3
87.74192	0.4
89.03966	0.4
91.05548	0.7
93.03432	0.5
97.14859	0.4
105.03454	0.7
107.05034	1.1
111.85597	0.4
117.03474	1.0
129.03879	0.3
132.02190	1.0
133.02954	24.6
134.03764	10.6
135.04521	56.9
136.04854	2.3
137.02440	5.9
139.04012	1.6
149.02368	0.5
150.03198	0.6
160.01572	0.5
161.02437	75.7
162.02774	4.1
178.02695	2.6
179.03488	20.8
180.03841	1.0
209.11823	0.6
223.27792	0.4
255.23315	1.3
285.20709	3.4
286.21066	0.4
287.22244	1.7
429.22784	5.6
430.23102	0.7
431.24286	2.8
447.23953	2.4
449.25339	1.5
470.70578	0.4
622.08350	0.5
701.46246	100.0
702.46594	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	701.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05510	0.6
51.83758	0.6
53.81026	0.7
54.50270	0.7
55.01869	1.9
56.10663	0.7
57.03428	0.9
58.00591	1.2
59.01379	46.6
61.98533	1.0
61.98834	11.8
69.03436	1.7
71.01383	35.3
71.52158	0.8
71.52512	0.8
72.99304	1.9
73.02955	6.2
75.00866	1.1
78.91872	1.7
78.95881	1.7
80.87772	0.8
81.03449	2.1
83.01385	6.2
83.05019	1.3
85.02945	7.9
87.00880	9.7
89.02446	35.3
90.02806	0.9
91.03999	0.7
95.01392	2.1
97.02950	6.2
97.06570	0.7
99.00880	2.4
101.02443	29.2
107.05018	0.7
111.04528	1.5
113.02457	13.7
118.89129	0.6
119.03493	13.3
119.04894	1.0
121.02931	1.3
125.02428	12.3
125.06070	2.2
127.03994	1.2
131.03473	1.3
133.02969	1.3
133.05026	1.2
135.04523	3.2
139.04025	1.0
141.01959	0.8
143.03520	5.1
143.07109	1.2
145.02994	1.9
149.04527	0.8
152.99551	1.3
161.02463	4.4
161.04530	8.2
168.38237	0.7
169.05066	2.2
169.12331	1.4
171.10260	2.6
172.10576	1.2
179.03474	2.2
179.05597	6.6
185.04585	1.0
187.06148	5.9
205.19710	1.0
221.06648	1.8
235.08224	13.4
235.10408	1.4
253.09373	4.7
259.24274	5.1
263.07608	2.0
277.09183	0.9
277.21707	5.1
287.07669	2.8
303.23285	100.0
304.23663	9.0
305.08813	3.4
323.09982	1.5
397.13489	67.4
398.14041	4.0
404.93967	1.1
415.14554	36.5
416.14957	2.5
457.26129	2.2
475.27225	1.8
621.30688	13.7
669.82263	0.8
701.38721	8.0
702.38275	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35917	0.4
56.36489	0.5
59.01379	100.0
61.98821	2.3
90.22625	0.5
98.19872	1.1
106.16043	0.5
128.69447	0.4
137.94731	0.5
141.69673	0.5
229.01436	0.5
296.95984	0.5
358.09976	0.5
404.81772	0.5
410.60190	0.5
423.10812	0.5
437.12857	0.7
438.13409	3.6
439.13696	0.6
445.89688	0.5
451.14133	0.9
452.15002	1.5
453.15668	0.9
455.10037	1.0
464.20712	0.6
467.13281	1.0
469.11459	0.6
480.14407	1.5
481.15155	34.9
482.15479	6.3
495.16766	12.6
496.17511	2.8
497.18445	5.4
498.18686	0.9
514.14978	2.9
523.16199	1.0
525.14178	0.9
539.15741	2.4
540.16388	9.7
541.16656	2.0
554.18170	3.1
555.18860	56.5
556.19220	11.3
567.19043	1.5
569.20715	0.6
572.15460	15.6
573.15302	2.6
586.17102	6.7
587.17499	1.4
609.19647	1.6
627.21149	1.3
641.22498	26.5
642.22552	6.0
701.24646	61.4
702.24939	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	701.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32082	1.2
59.01379	100.0
61.98829	54.0
70.53095	4.2
78.95912	7.3
80.96529	1.8
106.09854	1.2
111.74836	1.2
125.06075	4.0
126.06374	1.2
133.02943	4.9
134.03764	2.3
135.04530	10.5
136.04898	1.5
137.02411	1.4
139.04070	1.5
143.07153	10.0
144.07518	2.4
152.99594	3.4
160.82330	1.2
161.02408	13.3
162.02797	2.6
171.10286	4.4
179.03487	4.6
213.62605	1.4
251.20094	1.4
253.09242	1.7
253.21788	1.5
255.23331	5.3
277.21652	8.6
278.22092	7.2
279.22729	2.7
322.65970	1.3
438.13181	4.5
481.15091	43.6
482.15445	7.1
495.16599	11.2
496.17526	2.5
497.18277	4.6
514.15186	4.9
539.15643	3.3
540.16437	10.3
541.17163	3.0
554.18304	3.2
555.18817	84.6
556.19165	17.7
567.19189	3.1
569.20734	1.9
572.15332	21.4
573.15906	4.4
576.68195	1.5
586.16760	7.0
641.22449	37.6
642.22827	9.2
658.19299	2.1
681.63727	1.6
700.44989	8.4
701.24725	74.2
701.45233	16.8
702.24939	18.0
719.91614	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	4.7
61.98825	14.0
65.37135	1.6
65.99849	4.9
67.70610	1.7
69.22375	9.7
69.22786	5.0
71.01390	2.5
78.95911	4.6
79.75247	1.5
82.02983	13.2
83.01369	2.9
89.02436	3.5
101.02470	1.8
110.02491	2.7
121.21144	1.8
135.04579	2.9
136.04074	2.8
150.01956	1.8
152.03519	22.3
171.10295	3.4
177.03119	2.0
190.05342	1.9
194.08237	4.9
197.52776	1.7
255.23196	6.9
265.13452	2.6
267.07565	2.3
277.21753	3.3
290.12854	1.9
294.89520	1.6
397.13278	2.9
398.13879	3.3
399.13931	2.0
430.76370	1.9
453.19427	2.3
475.17453	2.3
490.21298	2.1
540.20276	2.3
607.25183	2.2
614.23468	2.3
619.21918	4.5
641.25964	6.7
651.24603	42.3
652.24939	7.9
653.42114	1.9
669.25897	4.3
683.27240	3.0
701.28265	100.0
702.28772	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06400	0.8
59.01384	7.6
61.85478	1.0
61.98830	100.0
65.30363	0.8
71.01376	1.5
73.02942	0.9
78.95905	2.1
91.05655	0.7
96.96001	0.7
101.54935	0.7
102.23497	0.9
103.47665	0.8
118.97987	0.9
132.02075	0.7
133.02946	0.9
134.31549	0.9
135.04529	1.7
161.02351	1.0
171.10233	3.7
197.11879	1.0
199.13387	1.4
253.09283	1.8
267.19962	0.8
309.20752	1.9
382.90036	0.8
383.43893	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83217	5.3
59.01364	14.9
61.98831	71.7
66.74278	5.1
70.53152	11.0
70.53486	7.8
71.01374	9.8
76.69604	5.8
78.95894	12.0
79.03816	6.0
87.37672	4.9
89.02431	5.6
101.02370	6.1
133.02933	12.2
134.03714	13.4
135.04500	54.9
137.02429	7.7
153.09711	5.6
161.02437	67.2
171.10286	10.9
179.03450	20.4
189.33533	5.7
301.21814	11.0
302.22278	14.3
397.13034	9.6
398.13809	9.6
404.19028	5.5
426.76553	5.9
457.25787	7.9
475.26987	37.2
539.90674	6.1
565.16595	7.1
637.30127	100.0
638.30261	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	701.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02002	0.7
59.01381	12.3
63.86510	0.6
66.91096	0.9
68.54911	0.8
70.44167	2.7
71.01382	19.0
72.17361	0.7
72.99316	1.3
73.02952	0.7
75.23862	0.7
88.07674	1.0
89.02449	2.0
93.03471	0.9
95.01440	0.8
95.12397	0.7
101.02468	1.3
113.02444	1.9
115.00377	30.1
119.05032	47.3
119.87038	0.7
120.05380	1.9
130.78963	0.8
133.01434	100.0
134.01741	1.1
134.03812	1.1
135.04521	2.2
161.02475	0.9
163.04013	86.9
164.04350	4.4
165.58743	0.8
173.12944	1.9
179.03487	0.9
185.40794	0.7
279.05096	7.0
280.05429	0.8
308.98657	0.8
317.17136	8.2
335.18344	2.4
377.19327	5.7
400.93710	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89280	0.3
57.75518	0.4
59.01380	23.6
61.98828	4.3
69.03455	0.5
69.99242	2.1
71.01386	2.2
72.20171	0.3
73.02956	0.8
74.09993	0.4
78.95902	2.3
83.01438	0.5
83.05009	0.7
85.02983	1.0
87.00873	0.4
89.02425	2.2
95.05016	2.0
97.06583	4.1
98.20039	0.6
99.08176	1.9
101.02462	2.3
113.02484	1.3
117.03454	0.5
119.03481	0.5
119.05078	0.5
125.06084	40.2
126.06437	1.0
133.02939	2.9
134.03720	1.1
135.04523	6.2
143.07137	82.7
144.07475	2.7
145.05016	0.5
152.99573	0.5
161.02425	7.3
161.04608	1.1
171.10246	0.5
179.03461	2.1
235.08229	3.1
253.09247	10.2
253.21750	1.5
255.23239	1.6
277.21710	100.0
278.22055	8.3
279.23276	0.9
311.50940	0.4
429.22617	0.9
461.78104	0.5
463.29974	0.4
513.30341	0.6
520.08716	0.5
612.15363	0.4
615.52148	0.4
699.33490	0.6
699.44977	9.9
700.45355	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90082	0.4
61.98842	0.4
65.50931	0.4
65.93564	0.4
69.40098	1.1
69.40515	2.0
81.44292	0.4
89.68559	0.5
91.05514	0.5
93.03449	0.4
104.91944	0.4
105.03474	0.5
106.04232	0.8
107.05026	0.9
111.00938	0.4
117.03502	1.4
121.02972	1.1
123.04597	0.5
132.02170	1.4
133.02957	31.5
134.03763	12.7
135.04526	61.2
136.04842	1.7
137.02440	5.8
139.04036	2.0
150.03206	0.4
160.01680	0.8
161.02438	81.2
162.02808	1.7
178.02696	2.6
179.03499	23.7
180.03880	0.8
205.92686	0.4
207.03172	0.4
221.50911	0.4
255.23276	0.9
285.20706	3.2
429.22778	9.3
430.23038	1.0
447.23712	4.3
538.16791	0.5
539.04791	0.4
551.10663	0.5
620.18182	0.4
699.44708	100.0
700.45068	17.7
700.57117	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.4469
Annotation	Desacetylnyalolide
Peak:m/z	Relative Intensity
66.80567	0.4
69.50842	2.3
71.26437	0.4
73.51369	0.4
74.78889	0.3
80.66405	0.4
80.67194	0.3
80.78704	0.4
84.46304	0.4
93.03465	0.5
106.04138	0.5
107.05034	1.1
111.25947	0.4
115.01933	0.4
117.03467	1.4
121.02963	0.7
132.02150	1.1
133.02956	24.5
134.03751	9.5
135.04523	48.3
136.04857	1.2
137.02432	5.4
139.04016	1.3
161.02435	61.8
162.02797	2.8
178.02715	1.9
179.03488	19.8
219.22278	0.4
285.20740	4.0
308.28268	0.4
367.30710	0.4
382.27496	0.5
429.22836	6.9
430.23203	0.9
447.23694	3.7
699.44702	100.0
700.45038	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	699.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44163	0.8
59.01380	36.5
61.98829	6.7
69.19748	1.9
69.20162	6.8
71.01368	4.6
73.02941	1.2
78.95925	4.9
88.98832	1.0
89.02456	2.3
96.96016	10.1
96.96977	1.9
101.02455	4.2
113.02429	1.4
125.09727	1.5
127.11285	1.4
133.02991	1.4
134.03755	1.0
135.04512	3.0
151.11276	3.9
152.99573	1.5
161.02446	5.0
161.04488	1.4
169.12340	33.3
170.12672	1.3
171.10266	87.2
172.10684	2.0
179.05594	1.0
179.10759	0.9
187.13612	0.8
213.11301	3.0
214.55566	0.9
231.12372	3.7
235.08237	1.3
249.18585	25.1
250.18867	1.8
253.09308	5.1
277.21698	1.3
299.97800	1.0
303.77206	1.0
370.78424	0.8
407.19305	2.4
449.20227	1.1
467.21460	3.5
524.29492	1.0
542.79425	0.9
552.01184	1.0
681.38562	4.8
699.39740	100.0
700.40363	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	697.38
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63173	1.7
57.03448	2.5
59.01378	9.5
61.98830	16.8
71.01379	4.7
73.02937	2.4
78.95903	5.8
83.01376	2.1
83.05012	5.4
85.02981	1.9
87.00787	1.7
89.02469	4.2
89.54237	1.5
95.05037	5.2
97.06575	9.6
101.02436	6.5
104.94308	1.6
109.06622	2.7
111.08122	1.8
113.02414	3.6
113.09697	3.2
125.09712	2.0
139.07645	5.5
152.99568	1.7
157.08691	52.5
158.09024	1.9
161.04553	2.4
171.10194	2.4
176.91769	1.8
199.09790	2.9
201.07970	1.7
201.11333	32.8
207.10295	2.4
209.11769	3.6
225.11346	3.4
227.12956	2.3
235.08182	5.6
249.18535	3.3
251.20187	2.0
253.09384	12.1
270.50702	1.6
277.21707	100.0
278.22076	11.0
515.60559	1.7
697.37982	89.7
698.38312	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	697.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93822	0.2
53.02748	0.2
53.37682	0.2
53.92110	0.2
59.01379	100.0
60.01714	0.6
61.98836	1.2
62.12018	0.2
70.16240	1.2
71.01381	0.4
78.95918	0.4
101.02428	0.4
107.92479	0.2
109.02988	0.2
121.02956	1.8
121.85976	0.3
125.02475	0.3
135.04543	0.2
146.37605	0.2
165.52908	0.2
169.08733	0.2
171.10284	0.5
181.68344	0.3
191.03540	0.9
193.29411	0.3
197.11934	0.7
209.04491	1.5
253.09329	0.3
293.21439	0.3
296.12839	0.3
332.31927	0.3
535.51654	0.3
593.13580	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.401
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15971	0.2
55.01881	0.3
57.03427	0.3
58.00624	0.2
59.01379	12.1
60.01724	0.2
61.98837	0.8
68.07472	0.2
69.03452	0.2
70.28985	0.4
70.29373	0.4
71.01380	3.7
73.02943	1.1
75.00886	0.2
78.95906	0.7
80.02687	0.5
81.03452	1.3
83.01384	2.3
83.05024	12.1
84.02186	0.7
84.05370	0.3
85.02959	1.2
87.00875	0.7
89.02454	2.1
95.05020	0.6
97.02961	0.5
97.06603	1.2
98.61963	0.2
99.00841	0.3
101.02428	3.6
107.05013	0.3
109.06593	2.6
110.06911	0.2
111.16586	0.2
113.02429	1.9
119.03481	0.6
121.06625	0.3
133.05103	0.4
135.08163	4.4
136.08406	0.2
137.09698	1.8
143.03487	0.4
145.05023	0.5
152.99570	0.4
153.09157	0.3
155.10747	0.3
157.38635	0.2
159.32065	0.2
161.04529	1.6
163.07616	1.6
163.11278	0.5
171.10234	0.5
179.05623	0.3
179.07088	0.3
181.08694	63.5
182.09018	2.6
183.13881	1.0
199.09758	6.0
200.10048	0.2
207.10262	1.6
208.10599	0.9
209.11906	2.0
225.11259	1.5
227.12827	0.3
233.22870	0.2
235.05849	0.2
235.08208	4.3
249.18527	2.1
250.18962	0.7
251.20042	0.9
253.09259	10.9
253.21657	0.4
254.09778	0.4
259.20609	0.3
277.21698	100.0
278.22049	7.8
279.22552	0.2
382.60330	0.2
417.17593	0.3
435.19098	0.3
695.39575	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00594	1.2
59.01380	8.5
61.98830	4.8
65.37177	0.6
65.60239	0.5
71.01384	4.4
72.99306	0.5
73.02946	1.2
78.95918	1.8
80.02670	0.9
81.03471	1.5
83.01398	1.1
83.05034	5.8
85.02952	1.4
87.00880	1.6
88.98796	0.6
89.02454	3.7
95.05040	0.9
101.02445	3.8
109.06596	0.9
110.80890	0.6
113.02450	2.1
119.03475	1.0
135.08165	0.9
143.03467	0.6
152.99524	0.7
161.04570	1.7
163.11273	4.0
165.12868	2.9
167.10725	0.6
171.13928	0.7
174.94992	0.6
179.05510	0.7
181.12289	0.9
183.10297	0.6
183.13905	1.2
184.55859	0.6
191.10764	0.7
199.13397	14.2
200.13713	1.0
207.10262	1.9
208.10524	1.4
209.11824	100.0
210.12151	4.9
211.13371	3.6
225.11362	1.9
226.11758	1.3
227.12880	51.8
228.13235	2.1
229.14291	0.7
235.08223	2.4
249.18584	66.1
250.18982	5.0
253.09291	12.6
254.09816	0.7
265.18167	0.9
277.21683	1.0
293.21057	0.9
348.42194	0.5
441.30118	1.9
445.20840	2.1
462.20602	0.7
463.21783	10.3
485.28305	0.7
542.90466	0.6
695.40210	4.2
696.40680	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.4012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44699	0.3
55.01888	0.4
57.03442	0.3
58.00599	0.7
59.01381	14.5
61.98847	1.7
69.03475	0.4
71.01381	4.7
71.05047	0.3
72.99336	0.3
73.02956	1.6
74.18650	0.3
78.95916	0.9
80.02705	0.4
81.03477	1.3
83.01386	3.1
83.05026	14.0
84.02160	0.4
85.02954	1.9
87.00887	0.9
89.02434	3.3
95.01391	0.6
95.05033	0.7
97.02948	0.8
97.06581	1.4
98.19866	0.7
99.00903	0.4
101.02441	4.4
109.06592	3.2
112.81547	0.3
113.02447	2.3
119.03523	1.3
119.08727	0.4
125.09777	0.3
131.51277	0.3
133.05087	0.3
133.06624	0.4
135.08182	4.7
136.08492	0.4
137.09744	2.0
145.05063	0.9
152.99565	0.4
155.10794	0.4
161.04558	2.0
163.07625	1.5
163.11270	0.9
164.11562	0.4
165.12804	0.5
171.10242	0.8
179.05580	0.8
179.07103	0.9
180.07475	0.4
181.08708	66.4
182.09044	2.5
197.08194	0.4
198.08633	0.3
199.09755	8.3
199.13380	5.7
200.10150	0.4
201.02225	0.3
207.10283	2.5
208.10672	1.4
209.11914	3.5
216.79085	0.3
225.11258	2.3
226.11647	0.6
227.12895	16.7
228.13144	0.8
235.08237	5.1
236.08336	0.4
249.18584	9.9
250.18936	1.8
251.19997	1.2
253.09270	12.0
254.09489	0.8
275.20074	0.4
277.21710	100.0
278.22061	9.7
279.22226	0.4
357.90573	0.3
415.32315	0.4
441.29849	0.9
445.20462	0.8
461.20413	0.3
463.21704	3.2
481.94522	0.3
695.39984	3.2
696.39996	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01107	0.6
59.01381	7.2
61.98829	3.0
63.50941	0.3
63.56274	0.3
71.01392	4.7
73.02948	1.2
74.14446	0.5
78.95902	0.8
80.02675	1.2
81.03455	1.4
83.01373	0.8
83.05024	5.3
84.02171	0.8
85.02969	1.1
88.98799	0.4
89.02438	2.9
95.05016	1.2
97.02947	0.8
97.06570	0.4
101.02441	3.7
101.63294	0.3
109.06609	1.6
113.02452	2.0
119.03516	0.8
125.06071	1.2
125.09738	0.5
135.08160	2.1
137.09695	0.6
152.99577	0.6
161.04547	1.0
163.11273	4.1
165.12822	2.4
171.10283	1.1
179.05670	0.4
179.07146	0.6
180.07497	0.4
181.08717	8.6
181.12289	1.0
191.10852	1.1
198.88635	0.4
199.09766	6.6
199.13356	1.2
200.10187	0.6
207.10229	2.1
208.10562	0.5
209.11826	100.0
210.12169	5.0
225.11346	4.3
226.11646	3.1
227.12926	13.2
228.13181	0.8
229.01038	0.4
230.81227	0.4
235.08195	2.7
249.18591	51.9
250.18927	4.2
251.20004	0.9
253.09274	9.6
277.21719	24.5
278.22040	2.9
356.80737	0.4
391.60226	0.4
417.17374	0.7
445.20239	1.3
461.19986	0.6
462.20789	0.7
463.21478	2.3
464.21625	0.4
492.36087	0.4
599.42749	0.5
695.39600	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	695.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
58.26458	0.5
59.01379	100.0
60.01700	0.7
61.98827	1.7
65.73015	0.4
70.06149	0.5
71.08492	0.8
76.34664	0.4
78.95905	15.0
80.96516	2.9
94.98083	0.6
128.90318	0.6
142.75406	0.6
152.99632	1.2
205.15909	1.3
208.17250	0.5
240.91850	0.5
255.23322	1.2
330.80933	0.5
341.51401	0.6
430.35556	0.5
447.13553	0.8
591.37653	0.7
629.96350	0.6
695.30902	48.7
696.31372	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	695.4012
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00196	0.2
59.01380	4.6
60.12567	0.2
61.98837	1.1
66.12500	0.2
66.82458	0.2
69.22948	0.4
69.23352	1.3
71.01380	2.7
73.02949	0.7
78.95923	0.6
80.02705	1.0
81.03455	1.1
83.01394	0.7
83.05025	4.7
84.02172	0.7
85.02956	0.8
87.00892	0.4
88.98801	0.4
89.02441	1.6
95.01383	0.3
95.05026	0.5
97.02950	0.2
97.06611	0.4
98.20644	0.4
99.00853	0.3
99.92570	0.3
101.02443	2.4
109.06595	0.7
110.41387	0.2
113.02423	1.1
116.92835	1.6
119.03510	0.6
125.06107	0.4
125.09715	0.3
135.08180	0.7
143.03493	0.3
152.99579	0.2
161.04546	0.7
163.11284	4.1
165.12830	2.3
179.05576	0.3
181.05132	0.2
181.08728	0.4
181.12274	0.6
191.10785	0.9
199.09766	0.8
199.13371	0.3
201.86903	0.2
205.19598	0.3
207.10257	0.6
209.11824	100.0
210.12172	4.3
219.54320	0.2
225.11371	0.4
226.11639	0.2
227.12871	10.9
228.13316	0.5
231.17429	0.3
235.08253	1.6
249.18590	47.1
250.18951	2.6
251.20218	0.3
253.09294	7.9
254.09544	0.3
264.54358	0.2
277.21744	3.2
287.63123	0.2
318.32959	0.2
441.30374	0.2
445.20734	0.9
463.21692	0.3
695.19507	0.6
695.39362	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26443	0.6
57.44199	0.7
59.01380	100.0
60.30252	0.7
62.77958	0.6
62.86811	0.7
63.59176	0.7
69.03464	0.8
69.28216	5.4
69.28629	1.2
70.97076	0.6
71.01382	22.7
72.99306	1.2
73.02946	25.8
80.89445	0.6
83.01385	8.3
85.02952	3.4
89.02454	8.7
95.01402	0.8
96.96013	1.2
101.00507	0.7
101.02442	26.6
102.72903	0.6
113.02461	9.3
115.00362	0.7
119.03514	5.0
125.02471	1.9
131.03526	3.6
135.04558	2.4
143.03537	2.2
148.01709	0.7
148.04062	1.0
149.04546	6.4
150.05644	0.9
155.03494	1.1
156.90472	0.7
161.02449	0.7
161.04553	10.9
162.05666	0.7
179.03543	1.0
190.07553	1.1
203.05783	1.2
221.02820	1.3
221.06744	2.7
228.59297	0.8
231.07732	1.1
232.08580	2.0
235.03586	0.7
246.08092	0.7
261.13669	0.8
303.14481	1.2
305.24915	0.8
315.13480	1.1
402.20389	0.7
452.17999	0.9
470.19128	3.8
588.13477	1.0
633.25702	5.9
690.96912	0.7
691.36151	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.273
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	53.0
61.98841	29.2
69.74612	30.3
70.76489	4.5
71.01375	5.4
72.75121	5.0
78.95901	6.5
80.19646	5.2
83.05002	6.1
87.03477	4.4
88.64689	4.4
90.79986	5.2
97.02940	7.2
98.19989	10.5
113.02480	5.5
136.07663	8.1
150.09218	15.3
161.07233	11.1
189.10349	6.0
203.91060	5.4
213.06635	13.9
213.10371	10.9
214.07365	6.0
214.10951	7.7
215.08322	31.8
226.07428	8.2
233.09290	10.2
239.08127	9.6
240.08911	11.1
241.09883	36.0
267.07745	28.5
267.12268	7.9
268.08545	29.1
269.09308	9.0
285.08789	19.7
286.09552	19.8
299.10431	36.9
317.11404	10.1
372.17157	14.2
418.17593	48.0
419.18063	7.2
436.18640	20.3
450.20404	27.0
468.21310	53.1
469.21753	6.7
631.27765	100.0
632.27960	19.2
650.36200	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	693.437
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25982	0.4
55.47499	0.5
57.03454	1.6
58.53033	0.4
59.01377	100.0
60.01717	0.6
61.98825	3.3
63.74532	0.4
64.11858	0.4
71.01391	0.9
78.95911	0.6
83.05013	2.9
92.20683	0.5
95.51772	0.4
109.06578	1.1
123.08127	0.4
125.50077	0.5
137.09813	0.5
139.26036	0.5
152.86096	0.5
175.11145	0.7
204.68208	0.4
207.10335	1.2
209.11836	0.9
225.11214	0.9
233.15416	0.5
249.18552	0.9
253.09402	0.6
278.71738	0.4
281.19208	0.5
332.21451	0.9
347.23846	1.3
365.24808	11.5
365.29175	0.7
366.25247	1.2
382.24985	2.6
383.25906	11.5
384.26416	1.0
391.26340	3.3
409.27579	3.5
615.79425	0.6
693.39246	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	5.2
61.98832	14.7
69.31416	4.2
69.31841	4.1
71.01380	1.7
78.95892	1.1
108.54849	1.0
133.01450	1.1
134.06105	2.1
136.07669	7.7
150.09253	13.5
161.07196	6.4
162.05606	2.7
166.05084	1.0
173.07222	5.3
174.08018	1.0
176.10785	1.6
185.07149	1.6
187.08737	1.8
188.09645	1.5
189.10316	7.0
199.08817	2.1
204.10263	1.9
213.06700	12.9
213.10283	10.1
214.07339	3.7
214.11096	5.2
215.08247	26.3
215.11554	1.9
216.08766	1.0
225.06671	1.5
225.10361	1.5
226.07413	3.7
230.10590	1.0
233.09367	6.6
239.08153	6.4
240.09081	6.9
241.09807	23.1
242.10541	4.1
243.11362	2.4
267.07693	19.7
268.08517	24.7
269.09250	8.3
273.12503	3.2
285.08780	15.5
285.91788	0.9
286.09567	11.6
287.10028	1.7
299.10349	26.3
300.10864	1.8
317.11395	8.9
318.12091	1.1
318.16077	1.7
344.17554	1.7
346.19431	2.3
372.17114	9.8
374.18747	1.9
390.18192	3.3
408.19049	1.2
418.17685	35.9
419.17981	3.8
436.18799	13.4
450.20334	23.0
451.20444	1.5
468.21408	43.1
469.21591	4.0
599.25360	1.2
618.91321	1.0
631.27686	100.0
632.27942	17.2
694.42407	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.4372
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.9
59.01381	100.0
61.98830	13.0
69.03432	1.6
69.99899	3.5
71.01384	1.0
78.95917	1.4
79.05540	2.0
83.05036	2.6
96.96003	1.4
98.04433	1.0
107.05013	3.4
109.06579	3.8
123.08205	1.6
125.02408	0.9
133.06606	1.1
135.04538	1.5
135.08167	1.1
137.06027	1.0
145.10175	1.3
150.06816	4.0
161.02458	1.1
163.11366	1.0
185.09628	1.2
187.15010	1.3
207.10222	4.0
209.11943	1.0
214.19157	1.1
215.14491	1.0
225.11247	2.6
231.13873	2.9
241.15913	2.6
249.18573	3.5
253.09248	1.4
277.21783	2.6
281.19019	5.1
285.18689	1.2
292.18271	2.2
307.20599	4.6
325.21707	40.1
326.21997	3.1
342.21957	6.9
343.22745	38.0
344.23087	2.7
365.24762	1.4
383.25470	1.7
400.58896	1.1
404.58612	1.5
447.06696	1.0
623.36188	1.2
693.38641	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.7
59.01381	8.7
61.98804	1.8
67.13036	0.6
69.03465	0.9
71.01385	6.6
71.04989	0.6
73.02936	1.9
73.32983	0.5
81.03468	2.1
83.01390	1.2
83.05018	1.4
85.02937	1.6
87.00870	2.9
89.02463	2.8
95.01392	1.6
95.05032	1.6
97.02966	2.7
97.06585	1.4
99.00880	3.7
99.04509	1.3
101.02437	5.4
107.05076	0.7
109.06602	3.5
110.03761	2.5
113.02450	3.0
117.07112	1.9
119.03506	0.8
121.06590	0.9
123.04541	4.6
123.08137	1.5
125.09729	2.6
133.06581	3.1
135.07207	1.0
135.08171	12.9
136.08424	0.7
142.02696	0.6
145.05017	2.6
149.06044	0.8
151.07626	3.1
153.09160	3.1
161.04530	3.2
161.06059	4.1
163.11261	3.2
179.07135	45.4
180.07487	1.7
181.12354	4.3
195.46686	0.5
197.08183	28.5
198.08524	0.6
207.10260	18.6
208.10649	1.2
225.11319	25.5
225.13568	1.3
226.11644	1.4
228.96838	0.6
235.08194	9.9
236.08485	0.5
243.12297	2.7
249.18576	24.7
250.18892	1.7
253.09290	13.7
277.21710	100.0
278.22037	7.4
345.44952	0.5
415.15939	1.6
433.17065	1.2
443.19189	1.2
461.20319	8.6
462.20352	0.7
693.38562	13.1
694.39093	2.1
718.45770	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83199	0.3
55.01889	0.6
59.01377	6.3
61.98819	0.3
62.95636	0.3
65.03960	0.4
67.01900	0.4
67.05512	0.3
69.73872	1.9
71.01379	3.9
72.19528	0.3
73.02952	0.9
78.95892	3.2
81.03452	2.1
83.01382	1.1
83.05033	0.4
85.02952	1.0
85.90158	0.3
87.00871	0.7
89.02445	2.2
93.03439	0.5
93.07095	0.5
95.01421	0.4
95.05023	2.0
97.02931	0.7
97.06590	1.4
98.19905	0.3
99.00876	1.5
101.02444	3.9
106.04272	0.4
107.05025	1.5
108.02294	0.3
109.06590	1.1
113.02405	1.7
115.04018	0.3
117.07099	6.1
120.75470	0.4
123.04517	5.4
123.08147	0.4
125.06121	0.4
131.05016	0.5
131.72798	0.3
133.06593	5.5
135.08159	21.7
136.08546	0.3
143.03503	0.5
143.66798	0.3
145.05057	0.9
149.06094	0.5
151.07654	1.0
152.99579	1.4
153.05585	0.6
153.09232	4.1
157.04919	0.4
161.04558	1.6
161.06082	2.5
171.10251	0.5
179.07129	48.6
180.07455	1.9
197.08185	8.0
197.09894	0.7
207.10297	0.7
235.08170	4.3
253.09233	11.9
255.23241	1.6
259.20651	0.3
277.21698	100.0
278.22031	6.3
315.97495	0.4
384.82520	0.3
397.14865	0.4
409.23383	0.4
415.16168	1.5
433.17010	1.5
567.18890	0.3
577.10352	0.3
675.37073	0.5
693.38483	12.0
694.38824	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	693.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75348	0.5
53.71548	0.4
55.01865	0.4
57.03447	0.4
59.01379	14.4
60.98664	0.5
66.35760	0.4
69.03436	0.5
69.23574	0.4
69.23852	4.4
71.01382	5.4
73.02941	0.9
80.02677	1.2
81.03443	2.8
83.01386	1.3
83.05036	3.8
84.02172	0.5
85.02948	1.8
87.00884	0.9
89.02454	4.1
93.03475	1.1
95.05050	0.5
96.65115	0.4
97.02943	7.5
97.06573	0.7
98.19768	0.7
99.00889	1.4
101.02439	5.5
107.05030	0.8
109.06590	37.9
110.03770	2.2
110.06947	1.2
113.02438	2.7
117.00341	0.5
118.99791	0.4
119.03518	0.7
121.06591	1.8
123.04510	1.2
123.35149	0.4
125.09577	0.4
129.01938	0.5
133.06589	0.5
134.64482	0.5
135.08162	4.9
136.05302	1.3
138.21800	0.4
142.02715	1.3
143.03458	0.5
145.05106	0.6
145.10226	0.5
161.04579	1.8
161.09698	2.4
163.11285	19.5
164.11610	0.6
179.05574	1.0
179.07071	1.0
179.10655	0.9
181.12315	4.6
189.09225	3.1
197.08115	0.4
205.19589	0.9
207.10243	100.0
208.10608	4.7
209.11830	1.6
214.53343	0.5
221.11911	0.6
225.11308	36.3
226.11697	2.0
235.08144	2.4
249.18575	69.8
250.18913	4.0
253.09290	14.0
277.21741	2.3
281.13971	0.6
299.14960	1.4
355.03494	0.5
395.29898	0.6
413.30722	1.5
418.98062	0.4
443.19241	4.7
444.19327	0.6
457.29477	1.0
461.20285	13.3
462.20502	1.3
531.33667	0.8
551.53644	0.5
675.37421	1.1
693.38507	30.8
694.38849	5.5
712.45374	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97883	0.3
51.95397	0.3
58.00591	0.5
59.01379	13.8
61.98833	1.7
69.03446	0.8
70.66206	0.8
70.66538	0.6
71.01379	5.4
71.05008	0.4
73.02930	1.4
78.03100	0.3
78.95904	0.8
80.02699	0.5
81.03456	0.8
83.01398	0.7
83.05022	1.2
85.02949	1.1
87.00878	1.2
88.98799	0.5
89.02447	4.6
91.90893	0.4
93.03431	0.8
95.01399	1.6
95.05024	5.3
97.02945	3.2
97.06555	0.6
99.04539	0.8
101.02443	4.3
106.04254	0.5
107.05052	0.6
108.37636	0.3
109.02937	1.2
109.05906	0.6
109.06596	7.2
110.03719	2.0
111.00907	0.4
111.04524	1.5
111.08178	0.5
113.02454	2.7
119.03506	1.3
121.06602	0.6
123.04508	0.8
123.08147	0.4
125.02449	0.3
125.09724	0.6
133.06577	0.5
135.08167	2.2
143.03542	0.5
145.10214	0.7
149.04568	0.4
149.09674	0.6
151.11290	1.0
153.12833	0.9
161.04555	1.9
161.05971	0.5
161.09732	1.9
163.07639	0.8
163.11281	8.3
167.51208	0.3
169.12384	0.9
179.05598	2.1
179.07126	3.0
179.10750	2.3
181.12361	2.2
189.09195	4.2
197.08174	1.2
197.11873	1.3
205.08818	0.4
207.10252	26.7
208.10619	1.3
223.09673	0.8
225.11311	100.0
226.11641	5.1
235.08174	1.5
249.18585	28.5
250.18944	1.4
253.09241	7.4
277.21716	6.2
299.15128	0.8
330.96893	0.4
383.26089	0.6
443.19214	6.2
444.19556	0.7
461.20294	22.4
462.20541	1.4
491.15179	0.4
539.62988	0.4
688.29272	0.4
693.38593	8.8
694.38739	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49464	7.0
59.01375	88.6
59.05668	6.3
70.97631	12.2
70.97954	9.0
71.01377	27.5
73.02948	13.5
76.08884	6.6
82.62532	6.2
83.01385	12.3
85.02981	9.8
87.00872	7.1
89.02444	7.9
94.28523	6.5
96.95981	8.0
101.01099	6.3
101.02435	28.0
105.03449	8.0
107.04987	7.6
113.02420	10.9
116.82511	6.2
133.01436	16.0
135.04532	66.6
177.01891	12.4
276.73361	6.8
281.08051	7.1
293.08191	14.2
295.09839	10.2
299.82022	6.6
311.09174	11.0
326.11536	20.9
327.12027	11.5
341.13931	22.9
353.10208	11.0
355.11801	10.5
371.15054	7.7
383.14935	31.4
401.04956	6.8
485.18179	77.1
486.18491	9.4
487.25082	9.7
488.16742	13.6
503.19339	93.8
504.19272	14.4
545.20282	100.0
546.20520	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3821
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	4.7
61.98820	11.3
63.35961	2.5
70.07397	2.4
71.52590	2.6
76.29240	2.2
78.95903	64.0
83.05009	7.5
85.74038	2.3
93.35692	2.3
96.96958	7.1
97.82870	2.3
113.17793	2.8
122.96926	2.4
137.40648	2.8
152.99599	61.1
161.11380	2.4
163.11240	6.5
165.12865	3.6
171.00638	7.9
209.11821	98.4
210.12117	3.5
227.03278	3.7
227.12834	10.3
253.21683	21.6
255.23270	9.1
277.21695	3.7
363.12170	10.3
434.74155	2.9
437.15979	5.8
455.16864	100.0
456.17151	4.8
514.55487	2.6
691.38196	83.7
692.38422	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	693.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35694	2.3
58.00599	2.6
59.01379	51.5
63.59507	2.5
67.50731	2.4
69.34252	20.4
71.01376	15.3
72.99304	2.5
73.02925	5.9
83.01356	3.7
85.02953	4.7
88.33696	2.8
89.02425	4.5
95.75286	2.6
101.02432	7.3
113.02420	6.6
135.04535	4.7
145.02953	5.4
147.04474	3.1
239.06754	2.6
265.08655	3.2
267.06476	4.1
268.07565	3.2
282.08856	6.3
293.08221	5.0
295.09659	6.2
297.73889	2.4
309.10992	2.5
311.09116	4.5
314.07996	3.8
326.11526	18.9
327.12341	12.8
341.13910	16.2
355.11768	8.8
455.13223	4.5
470.15833	9.6
471.16125	3.1
473.14395	7.0
485.18195	91.7
486.18555	10.2
488.16803	11.0
503.19220	100.0
504.19989	14.2
545.20251	95.7
546.20721	11.8
669.76941	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	691.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55349	0.9
59.01378	7.3
69.40130	6.7
71.01381	1.1
73.65728	1.0
85.02958	1.2
91.07308	0.9
96.96014	2.8
97.06590	6.8
107.05031	2.0
134.03777	1.2
135.04520	39.7
136.04849	2.0
148.05290	2.9
158.03738	1.3
159.04515	3.4
161.06044	3.7
171.08099	1.1
173.06071	3.5
175.03998	1.8
175.07600	1.2
176.04774	3.3
177.09239	11.5
179.03479	3.5
185.06071	2.0
186.06807	3.1
187.07611	7.5
188.04681	1.5
189.05420	1.5
189.09181	8.7
204.07869	6.9
205.08681	8.3
211.68333	1.1
215.10750	12.2
217.08591	2.1
233.11835	18.1
234.12256	1.9
259.09641	1.3
277.10782	100.0
278.11133	6.2
299.57492	0.9
321.09763	10.5
503.94449	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.2053
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80976	0.7
52.81552	0.8
59.01372	3.5
61.98826	10.2
70.19216	2.1
70.19612	1.2
73.02950	1.3
77.46490	0.8
88.98824	1.4
89.37000	0.7
97.25311	0.8
103.10755	1.0
118.48700	0.9
125.09122	0.9
175.79872	0.9
223.09750	1.6
249.18661	1.7
451.14169	1.1
452.14877	2.6
465.15582	1.1
467.65839	0.9
481.14886	5.0
484.15054	0.9
493.15350	0.9
494.15555	1.2
495.16800	9.2
496.16510	1.1
508.17264	1.4
535.16174	1.0
536.16864	1.2
537.17487	1.1
540.16772	2.0
551.19391	31.1
552.19897	5.7
554.19733	3.9
572.15155	1.5
586.17419	2.1
595.18115	3.0
627.20953	100.0
628.21179	22.1
629.20978	1.7
630.21320	7.9
646.38312	1.0
690.23883	1.6
691.36157	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.334
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01339	0.9
61.98833	68.5
70.10368	0.8
70.10706	3.3
78.95863	0.7
82.73370	0.6
117.03458	4.2
119.05017	6.5
121.02957	0.8
129.09673	0.7
133.02962	9.4
134.03793	5.3
135.04532	23.4
137.02448	3.8
145.02965	12.8
160.43260	0.8
161.02444	24.4
162.02765	0.7
163.04010	4.9
169.64990	0.7
178.02657	1.9
179.03506	12.3
190.86897	0.6
313.23651	0.7
329.72244	0.7
423.69666	0.8
445.29349	1.1
452.63861	0.7
461.29117	18.8
462.29456	1.9
463.30603	2.1
479.30191	15.7
480.30557	1.8
567.26440	0.8
625.33789	100.0
626.34192	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	689.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86329	2.1
59.01387	3.1
60.94672	2.1
67.87856	2.3
69.24429	20.8
71.01396	17.7
87.26097	2.2
96.62663	2.2
96.96029	3.4
115.00378	29.6
119.05031	60.6
133.00464	4.6
133.01434	78.2
161.02504	2.7
163.04010	100.0
164.04297	5.4
166.98180	2.4
264.40137	2.0
279.05124	6.1
287.72141	2.1
349.18930	2.6
369.64163	2.1
393.49829	2.1
403.44354	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	689.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01970	2.3
59.01365	3.2
71.01378	20.3
71.51244	3.0
89.02431	3.0
96.95992	3.7
102.72070	2.6
110.47664	2.5
115.00373	32.8
119.05017	50.6
133.01433	86.6
135.02969	2.9
163.04012	100.0
164.04282	4.9
166.96767	2.3
201.15120	2.6
240.26041	2.6
279.05170	9.7
308.00864	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	689.3766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.0
57.03439	2.6
58.00591	0.9
58.88396	0.4
59.01379	54.4
61.98843	0.7
68.99804	0.7
69.03448	2.1
69.03806	0.5
70.02576	2.3
71.01381	43.9
72.99296	2.0
73.02554	0.9
73.02943	12.5
75.00851	0.7
81.03475	1.1
83.01382	8.5
85.02950	21.9
86.00078	2.4
87.00873	5.0
89.02437	6.0
91.05509	1.4
92.05846	0.5
93.03433	0.4
95.01395	6.0
96.96000	0.6
97.02945	3.8
98.20581	0.5
99.00884	5.2
101.02443	27.7
102.02776	0.6
107.05042	5.2
109.02960	0.7
111.00885	5.4
112.01640	1.1
112.07594	0.5
113.02446	18.3
114.02755	0.5
115.00341	0.8
115.03961	1.0
119.03465	1.3
119.04999	0.6
123.04451	0.6
124.01656	2.4
125.02444	8.1
129.01935	1.0
133.01416	1.1
133.02934	0.6
134.31993	0.5
135.02911	1.2
135.04524	26.8
136.04839	6.6
137.05017	1.7
141.01900	0.6
143.03490	6.8
150.03246	0.6
151.04056	1.1
153.20981	0.5
159.02945	3.0
161.02521	0.9
161.04547	5.7
163.03938	0.5
177.01880	0.8
179.03477	1.2
211.13382	2.2
229.06235	0.7
237.05634	0.6
247.20755	0.6
277.10669	2.3
278.11166	2.5
279.11343	1.8
321.09631	1.6
322.10056	2.4
323.10440	1.1
447.22177	1.0
457.14407	0.9
467.30154	5.2
485.31241	8.6
486.31412	0.8
526.86835	0.5
555.31836	1.7
569.29736	1.0
581.32495	0.7
593.33716	0.9
627.27014	2.3
629.35394	100.0
630.35712	12.7
647.36426	60.4
648.36865	8.8
689.37775	5.1
690.38367	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3962
Annotation	CHEBI:69613
Peak:m/z	Relative Intensity
57.03428	0.9
59.01378	12.6
61.98843	0.8
69.67975	4.1
71.01380	9.8
71.73109	0.6
72.99311	1.3
73.02953	1.5
75.00870	2.4
79.71539	0.7
83.01395	1.1
85.02966	3.3
87.00835	0.7
89.02431	3.0
95.01343	0.8
96.95999	0.9
98.20574	1.3
99.04515	0.9
101.02444	3.8
113.02436	3.2
115.00353	3.4
115.42773	0.6
116.92878	0.8
119.03490	0.9
123.81211	0.6
125.02502	0.7
133.01408	6.2
133.02975	1.2
135.02991	5.4
135.04482	5.0
135.08147	1.5
136.05310	0.7
143.03500	0.7
147.04407	0.7
149.06108	4.5
150.06863	42.5
151.07326	1.0
153.09254	1.0
161.02422	2.2
161.04591	0.8
161.09668	0.7
162.06841	0.6
163.07635	8.4
164.08424	7.5
173.02403	1.3
176.08415	0.9
178.02806	0.9
178.09964	2.0
179.03482	1.9
179.10764	17.6
180.11198	0.8
231.10056	0.8
267.06580	0.8
293.04541	0.7
294.05225	1.6
309.07535	1.6
338.04428	0.8
343.24753	0.9
345.22739	4.9
369.09818	4.7
370.10242	1.0
381.09711	0.7
391.11771	1.5
409.12787	1.1
410.13318	0.8
410.50616	0.7
435.10773	2.4
439.23407	1.6
446.30099	0.9
449.00940	0.7
463.23679	0.9
464.31165	5.2
465.31848	0.7
479.33698	7.9
481.24387	3.8
482.25137	0.8
505.24112	1.4
506.32544	1.6
507.33218	2.3
524.33752	1.9
525.34344	27.0
526.34668	3.2
627.33942	5.1
628.33777	1.3
645.34570	3.7
687.39545	100.0
688.39844	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	687.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	3.6
57.03447	4.7
59.01377	54.7
66.82172	0.7
69.03432	2.2
69.27375	3.8
71.01381	44.1
72.99284	2.7
73.02557	0.9
73.02943	14.0
75.00861	1.9
81.03445	1.1
83.01382	9.4
85.02950	24.1
86.00090	1.7
87.00880	4.5
89.02444	7.0
95.01379	5.5
97.02955	4.1
99.00867	6.0
101.02441	30.4
102.02756	0.7
109.02957	0.6
111.00893	5.2
112.01653	1.3
113.02448	21.7
114.02799	0.6
115.00355	1.3
115.03983	1.1
116.00662	0.5
119.03493	2.0
124.01669	2.4
125.02433	7.3
129.01926	1.5
133.01448	2.7
133.03014	0.6
135.02968	2.9
135.04515	1.3
141.01909	1.1
143.03496	7.7
150.06830	0.5
150.94409	0.4
159.03015	2.8
161.04553	7.0
179.03407	1.9
179.31686	0.5
200.55309	0.6
227.07417	1.7
227.57181	0.6
268.07263	0.7
270.92767	0.6
294.29211	0.5
307.12323	0.5
315.21841	0.5
321.24127	2.5
338.04214	0.7
391.11832	0.7
409.12683	1.0
435.10724	0.8
439.23218	6.6
440.23819	1.2
463.23264	1.5
465.28583	5.8
481.24356	2.1
483.29648	9.1
484.29959	1.2
553.30219	0.8
579.31860	1.3
597.32513	1.5
627.33795	100.0
628.34039	14.3
645.34863	58.3
646.35120	9.4
683.18597	0.6
687.37531	4.1
688.37097	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	4.8
59.16474	3.3
61.98838	5.5
70.21306	3.7
71.51636	4.9
78.95898	8.7
86.91759	3.3
167.76297	3.5
169.82483	3.6
171.15666	3.9
255.23219	4.6
370.23752	4.1
375.50528	4.0
438.12708	5.1
481.15186	39.3
482.15176	5.9
495.16638	11.2
496.17145	5.4
539.15692	4.4
540.16852	13.9
555.18890	90.8
556.19110	19.3
572.15204	22.4
586.16742	8.7
641.22443	38.6
642.22461	8.9
643.23340	5.1
687.23096	100.0
688.23468	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	687.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97559	0.3
59.01377	1.6
64.80721	0.3
70.97704	0.4
70.98055	0.6
71.01405	1.7
73.02943	0.3
83.01375	0.4
85.02942	0.5
89.02446	0.7
91.05531	4.2
93.03452	1.2
95.05022	0.3
96.96021	0.5
97.06591	0.7
100.00407	1.1
101.02419	0.7
107.05025	11.4
108.05266	0.3
109.02967	0.3
115.00386	0.8
116.61652	0.3
117.03480	0.3
119.05059	0.3
121.02967	0.9
122.03751	0.4
124.01675	2.0
125.02453	1.2
130.06638	0.5
133.01462	1.8
133.03026	0.6
134.03745	0.9
135.04523	100.0
136.04759	2.4
137.02403	0.4
142.06648	2.1
149.02409	0.3
150.03233	1.3
151.04004	4.5
161.02414	3.5
161.04515	0.4
162.03204	2.6
164.04834	0.3
179.03482	0.7
181.05061	0.4
186.05623	1.1
203.08229	0.4
205.08838	0.4
221.98592	0.4
229.06184	4.9
250.27222	0.3
255.06540	0.3
259.09711	0.9
276.88593	0.3
277.10797	23.4
278.11194	1.5
321.09778	15.4
322.10034	0.9
365.11383	4.6
435.10892	0.7
627.34100	0.5
645.35492	0.5
687.38190	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.4
57.97561	2.2
58.96470	0.3
59.01377	8.2
60.01718	0.4
68.61620	0.3
69.03489	0.3
71.01382	6.8
72.01680	0.5
72.99308	0.4
73.02944	1.9
75.00863	0.5
83.01392	1.2
83.06120	0.4
85.02950	2.7
85.50441	0.3
88.48724	0.3
89.02438	1.8
91.05535	4.8
93.03458	1.1
95.01389	0.6
97.06600	0.8
98.19901	0.6
99.00864	0.4
101.02448	3.6
102.02755	0.4
107.05026	13.1
108.05398	0.4
113.02451	2.9
115.00389	0.8
115.39632	0.3
117.20670	0.3
119.03533	0.5
121.02968	1.4
124.01684	2.0
125.02489	1.6
133.01442	1.8
134.03789	1.0
135.04523	100.0
136.04826	2.8
137.02425	0.5
142.06613	0.5
143.03487	0.7
150.03270	1.5
150.06883	0.4
151.04002	5.1
155.11903	0.3
161.02477	1.6
161.04486	1.8
162.03253	3.0
167.14204	0.3
170.03912	0.9
179.03514	0.9
186.05659	0.4
199.49606	0.3
221.06595	0.6
229.06194	1.1
247.07870	1.2
248.08200	0.8
259.09717	0.9
277.10797	24.6
278.11133	1.5
317.17194	0.9
321.09750	18.0
322.10138	1.9
359.18341	0.6
360.18692	0.6
365.11224	1.0
435.10858	0.8
455.13757	0.4
497.15213	0.5
512.91852	0.3
521.23547	0.4
522.23865	0.8
627.34259	0.8
645.25421	1.3
645.34991	0.6
687.27094	0.7
687.39343	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.318
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14326	0.7
57.81050	0.7
61.98830	69.0
69.82509	4.1
77.75713	0.6
78.95870	1.0
79.42642	0.7
117.03492	4.1
117.04182	0.9
119.05029	7.9
121.02927	0.8
125.29005	0.8
133.02946	11.2
134.03770	7.1
135.04526	24.6
136.04890	0.8
137.02429	4.4
139.03996	1.5
145.02959	15.3
161.02449	28.6
162.02692	1.0
163.03993	5.5
178.02644	1.5
179.03497	13.7
255.23390	1.0
256.23618	0.9
274.27454	0.8
279.23273	1.9
281.24844	1.0
314.26773	0.8
385.87323	0.8
397.13666	0.9
403.66055	0.8
437.90616	0.8
442.40970	0.9
459.27408	19.2
460.28021	1.8
461.28809	1.8
477.28586	15.3
478.28766	2.4
623.32190	100.0
624.32623	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	685.3804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13493	0.5
57.03425	0.7
59.01107	0.7
59.01382	10.1
61.98829	1.1
66.92352	0.5
70.65093	1.4
70.88487	0.5
71.01378	5.6
72.99313	0.6
73.02925	1.9
82.42025	0.5
85.02956	1.1
87.00871	2.1
89.02444	2.2
96.96007	1.0
97.06582	0.9
98.20602	0.5
101.02450	2.1
111.04491	0.5
112.95444	0.5
113.02435	2.5
115.00372	5.9
119.03452	0.8
123.08151	1.7
128.58878	0.5
133.01428	9.3
133.97946	0.5
135.04506	2.6
149.06073	2.0
150.06865	32.8
151.07538	1.0
152.37646	0.5
161.04565	0.9
161.09706	0.6
162.06845	0.8
163.07640	6.1
164.08423	6.2
177.01898	0.6
178.09978	2.2
179.03470	2.3
179.10767	16.3
180.11139	0.9
187.09763	0.5
229.10875	1.1
238.14317	0.5
261.18613	0.6
292.20444	0.6
312.06354	0.6
320.19974	1.8
335.22296	1.3
338.03955	0.6
341.23193	1.2
343.21204	4.6
364.22531	2.3
403.04620	0.8
409.13080	2.8
435.10684	1.4
441.29901	0.9
459.31146	1.2
462.29840	2.2
477.32123	5.3
478.32025	0.7
479.21725	0.5
504.31097	0.9
505.31720	1.7
522.31854	1.8
523.32715	25.1
524.32971	2.8
625.31396	0.6
641.33881	1.3
652.26349	0.6
685.38000	100.0
686.38361	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	685.3804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13493	0.5
57.03425	0.7
59.01107	0.7
59.01382	10.1
61.98829	1.1
66.92352	0.5
70.65093	1.4
70.88487	0.5
71.01378	5.6
72.99313	0.6
73.02925	1.9
82.42025	0.5
85.02956	1.1
87.00871	2.1
89.02444	2.2
96.96007	1.0
97.06582	0.9
98.20602	0.5
101.02450	2.1
111.04491	0.5
112.95444	0.5
113.02435	2.5
115.00372	5.9
119.03452	0.8
123.08151	1.7
128.58878	0.5
133.01428	9.3
133.97946	0.5
135.04506	2.6
149.06073	2.0
150.06865	32.8
151.07538	1.0
152.37646	0.5
161.04565	0.9
161.09706	0.6
162.06845	0.8
163.07640	6.1
164.08423	6.2
177.01898	0.6
178.09978	2.2
179.03470	2.3
179.10767	16.3
180.11139	0.9
187.09763	0.5
229.10875	1.1
238.14317	0.5
261.18613	0.6
292.20444	0.6
312.06354	0.6
320.19974	1.8
335.22296	1.3
338.03955	0.6
341.23193	1.2
343.21204	4.6
364.22531	2.3
403.04620	0.8
409.13080	2.8
435.10684	1.4
441.29901	0.9
459.31146	1.2
462.29840	2.2
477.32123	5.3
478.32025	0.7
479.21725	0.5
504.31097	0.9
505.31720	1.7
522.31854	1.8
523.32715	25.1
524.32971	2.8
625.31396	0.6
641.33881	1.3
652.26349	0.6
685.38000	100.0
686.38361	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	685.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	9.7
61.98839	9.0
64.01900	1.8
65.99833	5.2
70.65822	1.3
71.52485	1.8
71.52875	1.8
78.95889	4.6
82.02984	20.4
83.01379	2.0
86.63403	1.3
94.02972	1.5
106.02969	2.4
108.08274	1.3
113.09684	1.3
122.02516	1.8
124.09109	1.4
136.04024	7.1
152.99565	2.7
157.08688	48.5
164.03534	14.1
167.01120	1.6
173.07372	1.5
194.04637	3.3
194.08167	3.1
196.06143	4.9
215.08226	2.6
223.12364	1.8
225.13934	2.8
241.06058	2.5
242.07054	1.8
244.34969	1.5
249.18549	23.7
255.07721	5.6
255.23315	7.2
277.21680	2.7
279.23236	10.9
281.24893	1.8
347.88068	1.4
394.03250	1.5
437.20093	2.0
449.26382	2.6
479.21136	2.8
490.23431	1.8
506.84741	1.5
536.76392	1.7
551.19354	10.2
566.21228	2.6
581.27509	5.4
583.21851	1.9
597.26801	1.9
621.23444	2.3
653.26086	26.0
654.26318	5.2
685.28723	100.0
686.29266	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	684.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90949	0.6
58.78513	0.4
61.98829	100.0
63.15822	0.5
71.51689	0.8
73.93521	0.5
78.95916	1.2
117.03482	2.3
118.54521	0.5
118.90469	0.6
119.05028	3.7
121.02958	1.4
125.06122	0.8
127.84832	0.5
128.76547	0.6
133.01448	0.6
133.02946	6.1
134.03735	3.0
135.02997	0.8
135.04527	12.3
137.02443	1.9
139.04027	1.1
145.02950	7.3
161.02441	16.6
161.03772	1.0
163.04018	3.9
169.05046	1.1
178.02737	0.9
179.03510	6.9
255.23372	1.0
277.21762	2.2
278.22122	0.8
279.23260	2.0
297.15479	0.7
306.64047	0.6
447.25287	0.8
457.25867	8.6
458.26447	0.8
459.27457	0.9
475.26974	10.2
476.26764	0.6
621.30652	57.6
622.31030	8.4
652.25342	0.8
684.37219	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37606	0.7
60.12512	0.8
61.98833	52.7
70.84136	2.0
70.84489	0.9
78.47453	0.7
83.49961	0.7
91.77700	0.7
102.47338	1.0
113.66119	0.7
117.03465	4.1
119.05031	9.8
121.02970	1.3
125.06392	0.7
126.80466	0.8
133.02963	12.8
134.03757	6.5
135.03500	1.3
135.04533	26.8
137.02473	4.2
139.04045	1.4
145.02950	13.7
161.02441	34.2
163.03992	4.9
178.02776	0.8
179.03493	14.1
415.85910	0.8
457.25986	17.5
458.26416	1.9
459.27585	2.8
475.26987	18.8
476.27350	2.3
526.01996	0.9
621.30695	100.0
622.31018	18.0
624.60309	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4655
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.2
61.98820	1.4
78.95905	16.9
107.70308	0.4
110.98531	13.2
133.92807	0.4
134.14899	0.5
147.06015	0.5
152.99567	0.9
167.01138	5.6
185.02119	0.6
194.90091	0.5
229.14349	0.9
253.21709	3.7
254.22021	0.6
255.23286	50.7
256.23630	3.1
277.21707	100.0
278.22086	10.2
279.23285	14.2
280.23575	1.5
373.26251	0.6
423.25186	6.2
445.23529	1.4
446.23877	1.6
447.24985	11.0
448.25583	0.9
683.23383	0.6
683.35565	0.9
683.46594	10.1
684.46667	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	683.4525
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69532	0.5
61.98820	0.8
65.37060	0.5
69.80211	2.4
78.95904	0.9
93.03461	0.6
117.03469	34.4
118.03792	0.9
119.05029	48.6
120.05360	1.4
121.02953	6.1
123.04529	2.0
133.02954	1.2
134.03741	1.1
144.69580	0.4
145.02954	69.8
146.03336	2.5
162.03212	2.1
163.04007	27.9
164.04349	0.9
253.21797	0.8
255.23332	1.5
267.19623	1.6
277.21753	1.8
279.23395	2.6
285.20746	1.9
286.89716	0.5
291.67032	0.4
314.49670	0.5
413.23303	7.4
414.23413	0.6
431.24500	0.7
447.25024	2.5
683.45258	100.0
684.45618	17.1
684.55115	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.401
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17403	0.6
57.03445	4.8
59.01369	4.3
59.34180	0.5
61.98837	5.4
63.17430	0.5
66.23641	0.5
69.03452	1.0
69.28143	0.6
69.28461	5.2
71.01384	4.3
73.02949	0.6
78.95916	3.4
80.02679	0.6
83.01405	0.5
83.05025	0.9
85.02958	1.7
87.00881	2.1
87.61353	0.5
89.02425	1.5
95.05029	2.1
97.02987	0.7
97.06585	15.5
98.03246	0.6
98.06953	0.6
101.02449	4.8
110.98537	0.8
113.02453	2.2
119.03538	0.7
123.08167	9.0
125.09725	84.1
125.19807	0.6
126.10065	2.2
143.10855	0.8
145.05049	1.4
152.99554	0.9
161.04546	1.9
169.08698	1.8
187.09755	33.9
188.10164	1.0
197.11763	1.4
235.08299	2.8
249.18736	1.0
253.09334	3.2
253.21762	0.6
255.23288	3.0
269.52838	0.7
277.21713	45.3
278.22079	3.5
279.23135	1.1
335.81842	0.6
405.17603	6.5
423.18628	7.0
424.18967	0.7
651.24158	0.9
683.40106	100.0
684.28534	1.0
684.40521	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35899	0.7
57.03448	5.2
59.01381	6.4
61.98829	2.8
67.47887	0.5
71.01383	5.2
73.02972	0.7
78.95877	3.6
81.77228	0.6
83.01385	0.6
83.05028	0.8
83.54172	0.5
85.02947	1.6
89.02441	3.8
95.05031	1.6
97.06587	15.7
98.19877	1.8
101.02426	3.4
110.98522	0.8
113.02451	2.3
119.03495	1.2
123.08168	6.8
125.02433	0.6
125.09727	100.0
126.10052	3.2
143.10797	1.5
152.99556	1.9
161.15643	0.6
169.08723	2.3
179.05611	1.0
187.09753	71.3
188.10077	2.6
200.12946	0.6
229.71820	0.7
253.09268	1.6
253.21701	0.7
255.23303	2.8
261.13452	1.0
265.39438	0.7
277.21710	19.0
278.22046	1.3
279.23218	4.8
388.42340	0.6
405.17624	6.5
423.18710	18.8
424.19403	0.9
447.25003	1.8
683.40082	87.3
684.40527	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	683.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97303	0.5
54.23169	0.5
58.00582	0.9
59.01379	46.6
69.40469	0.5
70.69958	1.1
70.70315	0.5
71.01380	32.5
72.64934	0.4
72.99294	1.5
73.02943	1.1
83.01358	0.6
85.02956	4.5
87.00865	1.9
89.02443	43.4
95.01366	1.9
101.02438	16.4
105.22332	0.6
113.01719	0.9
113.02455	12.4
119.03500	14.4
131.03491	2.0
143.03510	3.5
149.04549	1.5
161.04594	3.7
179.05606	18.7
191.05626	3.7
288.75577	0.6
296.77292	0.5
341.10870	100.0
342.11224	5.8
393.46619	0.5
475.05466	0.5
611.22498	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.7
58.00590	1.0
59.01110	0.8
59.01380	11.5
71.01021	0.6
71.01387	10.4
71.52052	0.8
73.02947	2.9
83.01389	2.0
85.02951	4.9
86.00097	0.8
87.00868	2.1
89.02447	2.7
95.01349	0.8
99.00896	0.9
101.02439	6.6
109.02983	0.7
111.00916	0.7
113.02460	3.6
115.00388	1.0
117.03416	0.6
119.03545	0.7
119.05030	3.8
121.02976	3.3
123.04516	0.7
133.01407	1.8
134.03764	0.6
135.04498	2.2
138.05629	2.0
145.02943	4.6
147.04517	1.1
149.06039	0.6
150.05577	2.0
159.04489	2.2
161.02448	0.7
175.04044	0.5
176.03458	1.4
193.05011	0.9
197.03163	0.5
200.18768	0.6
206.04634	0.7
220.23080	0.6
223.10364	0.6
228.38757	0.6
240.04387	0.6
253.08485	0.6
255.06664	1.2
263.07227	0.9
265.08624	0.7
267.06558	1.5
268.07471	2.7
269.08182	4.1
270.08966	1.2
280.07394	1.3
281.08218	6.6
282.08871	3.4
283.09680	4.0
287.34387	0.6
293.08240	2.4
295.09641	2.3
296.09216	3.7
299.09290	3.0
300.10098	1.5
302.07983	0.8
311.09174	2.5
311.12531	0.7
312.10104	0.8
313.10638	0.7
314.08035	1.5
314.11603	4.4
315.12241	3.3
326.11627	7.1
327.12326	6.0
329.13916	12.1
330.14026	0.9
341.10110	0.9
341.13861	7.2
342.09668	1.2
343.11780	2.3
355.11948	3.4
356.13025	0.8
369.13327	0.9
383.11530	0.6
385.15189	1.6
414.22385	0.7
445.14996	0.7
461.14450	1.1
473.14563	2.6
476.16833	10.9
477.17651	1.2
488.16824	6.1
491.19217	100.0
492.19534	9.6
503.19244	84.7
504.19513	7.7
521.20447	14.5
522.20642	1.9
589.22949	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.4219
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	2.5
59.01374	13.5
61.98827	2.9
69.03443	2.9
69.19463	9.3
71.01377	4.5
73.02953	1.2
73.58304	0.9
81.03406	1.0
85.02969	1.4
95.05026	3.0
96.96002	4.7
97.02952	6.2
97.06588	4.4
101.02470	2.6
109.06592	1.4
111.08173	9.4
113.02493	1.2
115.00359	1.4
117.49116	0.9
123.08189	1.4
125.02367	1.1
125.06082	1.4
125.09725	5.3
127.07606	1.2
129.45609	0.9
134.03775	1.2
135.04501	2.2
135.08125	1.5
137.09721	4.7
141.09241	1.8
143.07129	4.7
151.07585	1.7
151.11349	1.1
153.09227	1.5
155.10799	2.1
161.02426	2.0
163.07481	1.0
165.09294	1.2
165.12822	3.4
169.08690	38.9
169.10129	2.3
170.09050	1.4
171.10239	1.8
177.01979	1.2
181.08755	2.0
183.10295	6.1
186.48633	1.1
199.09821	2.8
219.17508	9.2
235.17073	1.8
237.14960	1.7
263.16525	23.9
264.16858	1.1
267.70444	1.1
281.17572	100.0
282.17914	7.8
381.16534	0.9
445.23679	1.3
608.81488	1.1
621.41345	1.0
637.36395	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3856
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.8
59.01381	6.1
59.01920	0.4
61.98822	3.2
71.01383	5.3
73.02950	1.4
78.45152	0.4
78.95903	2.8
79.68884	0.6
83.01380	0.5
83.05032	0.9
85.02952	1.1
87.00904	0.6
89.02444	3.2
90.88872	0.4
95.05038	1.0
97.06602	3.7
101.02443	3.8
110.98566	0.5
113.02442	2.3
115.04028	0.7
119.03477	0.9
122.67548	0.4
127.12508	0.5
133.05098	0.5
135.47696	0.5
143.03510	0.8
149.09802	0.6
151.11296	13.8
152.30264	0.5
152.99593	1.3
161.04538	1.2
166.04344	0.5
167.07126	0.8
169.12341	100.0
170.12688	4.1
179.05624	0.7
186.22638	0.5
195.10233	2.7
213.11322	13.1
214.11636	0.7
229.44847	0.6
235.08185	1.4
249.18596	22.5
250.18961	1.1
253.09279	3.3
253.21741	0.9
255.23166	0.7
277.21710	5.1
278.22098	0.7
405.21301	0.7
419.79022	0.5
431.19327	2.6
444.40567	0.5
445.23508	3.6
449.20285	11.0
450.20752	1.1
681.38507	91.1
682.38910	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30107	0.6
59.01377	6.9
61.98832	7.3
71.01381	4.5
71.53009	0.8
73.02960	1.5
78.95901	3.3
85.02946	1.1
87.00861	2.2
89.02439	3.1
95.05033	1.8
97.06589	4.9
101.02425	4.2
105.07104	0.8
110.98544	0.9
113.02459	2.3
121.06603	4.6
123.08161	23.6
124.08497	0.9
125.09717	0.7
129.67305	0.7
141.09216	49.1
142.09532	0.9
145.05054	0.8
152.99606	0.9
161.04512	1.5
167.07138	4.1
169.49324	0.7
185.08215	5.3
211.13284	1.1
213.11397	0.8
220.56018	0.6
235.08214	2.3
249.18559	0.8
253.09286	4.9
253.21707	1.0
255.23291	1.1
259.20679	1.1
277.21710	71.8
278.22101	4.6
391.66440	0.7
403.15970	3.4
421.17126	3.3
445.23502	4.1
513.30267	0.9
681.38525	100.0
682.38922	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50296	0.7
56.57922	0.6
59.01377	1.4
69.19923	7.1
71.01376	10.8
72.58424	0.7
72.99311	1.3
87.00860	0.9
89.02451	2.4
95.91298	0.7
98.19907	1.1
115.00372	30.0
118.82951	0.7
125.02409	1.7
133.01430	100.0
134.01765	1.3
134.03725	2.4
135.04526	22.8
136.01678	2.7
136.04832	0.9
137.02419	1.7
151.04024	2.7
163.04108	1.1
177.01924	2.5
179.03497	26.8
187.07628	0.8
189.11119	0.7
206.71565	0.7
220.57559	0.7
295.04636	3.4
357.13516	3.2
600.31671	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	0.8
58.00579	4.0
59.01381	96.3
69.50730	6.5
71.01381	76.7
72.99294	6.0
73.02945	1.8
81.81284	0.9
83.01383	1.6
85.02953	10.8
87.00865	5.8
89.02444	100.0
95.01385	3.6
101.02443	36.6
107.03503	1.4
108.02184	5.5
113.02444	33.0
115.00362	2.2
116.92854	2.8
119.03504	36.2
123.04530	7.8
125.02490	1.8
131.03519	4.8
133.01404	5.5
143.03496	10.9
149.04572	4.8
149.71928	1.1
159.04288	1.1
161.04570	14.5
163.03998	2.5
177.02051	1.3
179.05608	56.4
187.04021	2.5
188.04808	3.3
191.05640	1.7
203.07144	10.8
207.36882	0.9
247.18007	1.0
251.07033	2.1
261.05450	2.5
263.07138	2.0
279.06680	6.4
279.09317	1.0
281.08249	1.4
291.06674	1.5
294.08908	3.7
296.10498	1.4
306.08969	1.8
309.11264	14.5
310.11505	1.3
327.12442	1.3
338.82532	1.0
339.12350	36.3
340.12579	3.0
381.13483	3.0
441.15781	1.4
451.94836	1.2
489.17639	10.5
490.17816	1.2
501.17654	28.8
502.17786	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	680.257
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53033	4.7
57.32257	5.5
69.48479	9.6
69.48885	32.5
79.70519	5.0
96.05653	5.4
98.20566	6.5
124.05089	6.4
148.04051	23.0
149.04822	8.1
149.52150	6.5
150.05612	20.3
161.04805	6.3
164.03479	6.0
173.03566	14.3
174.04369	30.7
189.06729	10.9
190.07463	25.9
231.07715	15.0
232.08434	44.6
233.09122	7.4
244.08371	7.6
286.09622	12.6
299.14056	12.9
339.45749	6.7
382.17642	14.3
399.18414	5.5
436.18808	17.1
454.19839	100.0
455.20432	14.1
536.36755	5.8
599.25244	12.8
617.26123	86.3
618.26251	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	680.4604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27517	0.2
50.87688	0.2
59.01374	1.9
61.98830	100.0
65.89616	0.2
66.46436	0.2
71.01395	0.8
71.52273	0.2
77.21753	0.2
88.98808	0.2
96.96004	0.5
101.02465	0.5
115.00365	0.3
116.08615	0.2
121.92168	0.2
133.01428	0.5
135.04570	0.4
152.11545	0.2
172.69508	0.2
175.04012	0.4
193.05151	0.3
228.37253	0.3
235.54207	0.3
475.34521	0.4
476.34555	1.3
477.25150	0.4
483.29816	0.6
518.35730	0.4
620.39264	0.3
639.32617	0.3
680.41357	1.8
681.41058	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4268
Annotation	Cumingianoside F
Peak:m/z	Relative Intensity
53.36329	0.8
59.01115	1.5
59.01382	20.3
61.98819	3.0
71.01381	12.9
71.51212	0.8
71.51619	0.9
73.02950	16.2
78.95892	1.3
79.84237	0.8
83.01393	4.7
85.02937	1.3
85.88852	1.2
87.32494	0.8
89.02432	1.8
101.02435	10.2
101.78233	0.9
113.02454	2.7
135.04543	0.8
146.16360	0.9
184.58806	0.8
187.09497	0.8
204.53265	0.8
209.11774	0.8
277.21658	1.4
355.56274	0.9
397.13202	1.3
399.32175	1.2
427.35849	4.0
455.35284	11.8
456.35608	1.4
473.36163	5.1
677.42700	100.0
678.43195	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	677.4963
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28316	0.2
56.13782	0.2
58.02963	0.3
60.96886	0.2
64.02533	0.2
69.27216	1.6
80.05034	0.2
81.03456	6.7
81.53511	0.2
83.05027	17.6
84.05346	0.4
93.92112	0.2
95.94395	0.2
100.07689	0.4
107.06139	0.3
108.04526	0.5
125.07215	1.4
126.05569	0.5
138.70883	0.2
143.08228	0.5
147.90269	0.2
152.21501	0.2
157.13419	0.3
207.15047	1.4
224.17674	2.8
225.16068	12.2
226.16318	0.6
242.18710	0.7
250.15668	0.3
277.11081	0.2
290.22357	0.3
309.21729	0.8
324.26559	0.4
333.22897	0.7
341.29065	0.8
367.27051	1.2
383.16354	0.2
433.31650	1.1
450.34378	1.6
451.26660	0.3
451.32941	5.6
452.33163	0.4
473.39197	0.2
550.43219	0.8
559.39740	0.4
565.44580	0.3
567.45679	0.2
593.43842	0.4
659.48706	1.5
677.49664	100.0
678.49963	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	677.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.0
56.57151	0.5
57.03452	1.2
58.00592	2.1
59.01382	36.9
60.91547	0.6
61.98824	2.2
66.58216	0.5
69.03460	2.2
69.26056	5.7
71.01384	33.9
72.99312	3.3
73.02952	5.4
75.00886	1.4
78.95892	1.0
79.95734	1.4
80.15926	0.6
81.03471	0.6
83.01385	4.5
83.05005	0.6
85.02956	7.0
87.00877	7.8
89.02447	30.8
90.81157	0.6
91.04008	1.4
95.01386	2.7
97.02956	5.3
98.20679	1.2
99.00885	2.6
101.02449	29.2
102.02790	0.7
103.00369	0.8
103.03977	0.6
109.02983	0.7
111.04526	1.2
113.02452	13.1
119.03510	9.2
121.02960	0.8
125.02457	12.3
131.03537	1.7
133.05016	1.0
137.02490	0.7
139.04027	0.9
141.01929	0.6
143.03517	4.7
149.04590	0.7
153.78497	0.6
155.03503	0.6
161.04533	7.2
163.03941	1.0
167.03461	0.8
169.05022	0.8
179.05617	6.9
181.08694	0.6
217.07283	1.1
221.06674	2.2
235.08203	14.0
245.06718	0.6
253.09256	3.0
263.07587	1.1
277.21692	1.1
279.23282	100.0
280.23651	7.9
287.07703	3.0
305.08771	3.3
323.09830	2.2
327.92813	0.7
379.12451	1.6
384.67514	0.7
397.13498	73.4
398.13910	4.9
415.14548	35.1
416.14917	2.6
617.41101	0.8
677.27759	1.2
677.42731	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	677.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30304	0.8
59.01386	9.0
59.85912	0.8
61.98827	4.0
70.66437	2.5
78.95891	1.7
82.02056	1.0
94.21217	0.7
108.87563	1.0
171.10435	0.8
175.06345	1.9
209.11810	14.9
249.18521	5.5
253.09258	1.0
277.21738	2.2
319.90613	0.9
366.25546	3.3
438.13031	1.9
470.12555	0.9
480.15204	1.0
481.15158	16.6
482.15625	2.8
495.16919	3.5
539.15814	2.8
540.16351	5.0
546.36182	0.9
555.18842	23.1
556.19293	4.8
562.70416	1.1
572.15198	6.2
586.16907	1.6
627.21210	2.2
641.22595	26.8
642.22937	4.5
677.20197	100.0
678.20441	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33944	0.3
55.01873	0.9
57.03426	1.2
58.00596	1.8
58.04451	0.3
59.01379	35.4
61.98817	1.3
67.01868	0.4
68.52650	0.3
68.99815	0.4
69.03441	1.8
69.21829	3.3
71.01378	35.9
72.01694	0.3
72.99300	3.0
73.02948	5.7
75.00861	1.0
79.01856	0.5
81.03439	1.5
83.01382	4.3
83.05032	0.7
85.02940	7.1
86.00080	0.4
87.00877	8.8
89.02443	29.8
90.59695	0.3
91.04008	0.8
93.03471	0.4
95.01378	2.0
97.02950	4.9
99.00860	2.1
99.04472	0.4
101.02439	28.1
102.02770	0.5
109.02974	0.5
111.00903	0.5
111.04496	1.0
113.02448	14.1
115.00352	0.3
115.03979	0.8
119.03490	9.8
121.02888	0.5
123.04557	0.4
124.01622	0.4
125.02444	11.3
127.03970	0.4
131.03500	1.8
131.31299	0.3
133.05058	0.7
135.04539	0.6
139.04004	0.8
141.01926	0.7
143.03516	5.8
149.04480	0.9
161.04544	7.4
167.03534	0.4
169.05086	0.4
179.03397	0.4
179.04045	0.5
179.05608	6.1
179.67699	0.4
182.77185	0.3
185.04575	0.5
199.06113	0.7
202.85629	0.3
203.05656	0.4
209.11792	4.1
217.07193	1.2
219.05099	0.5
221.06694	2.8
235.08208	13.1
245.06581	0.8
249.18573	1.7
253.09282	3.3
263.07779	2.1
277.09192	0.9
279.23270	100.0
280.23624	6.2
281.86032	0.4
287.07727	2.7
293.25009	0.4
305.08740	3.2
306.09064	0.4
323.09796	2.2
350.84106	0.3
361.11240	0.4
379.12479	1.6
388.78058	0.3
397.13483	72.1
398.13794	4.4
415.14554	31.0
416.14798	1.9
432.49609	0.4
440.57581	0.4
577.26074	0.3
620.69281	0.4
621.30896	0.4
623.31116	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.4262
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
59.22961	0.6
61.98831	2.0
76.32880	0.8
78.95923	2.9
152.99622	1.1
196.72958	0.7
225.48586	0.7
253.21698	5.7
255.23152	1.0
277.21710	1.2
279.23468	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01721	0.9
61.98831	0.8
71.51271	0.5
71.51685	0.5
78.95908	1.7
84.83145	0.4
85.73595	0.4
105.86997	0.3
135.08208	0.4
140.51743	0.3
152.99623	1.2
175.88849	0.3
253.09274	0.5
253.21710	1.7
255.23390	0.7
268.56656	0.4
277.21793	1.6
279.23550	0.4
675.36694	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3907
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.9
58.60744	2.9
59.01379	100.0
60.29367	2.7
61.98825	12.0
70.66051	6.1
70.66405	4.1
71.01383	73.6
72.19351	2.9
73.02946	65.4
78.95874	3.3
83.01378	19.7
83.05019	3.5
85.02957	16.7
87.00870	4.5
88.04056	2.8
89.02436	19.8
95.01392	7.2
97.42299	3.2
101.02447	69.9
113.02472	30.5
119.03486	10.0
126.09258	7.7
130.45435	3.1
131.03516	4.0
135.04562	5.7
138.09264	3.2
143.03537	4.2
149.04510	4.4
161.02402	4.1
161.04506	13.8
174.90359	3.3
179.05573	3.8
190.99664	2.5
225.22281	19.5
228.28156	4.0
271.22739	15.8
278.22125	4.5
279.23233	4.8
296.25961	4.4
400.27594	3.0
410.32758	49.5
411.32867	3.8
428.33908	17.0
572.31195	3.5
572.37994	78.6
573.38068	8.9
590.39038	49.0
591.38922	5.2
621.30963	3.2
622.30829	4.8
632.40204	35.4
633.39447	5.4
676.41553	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	675.4108
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43723	0.5
57.03438	1.1
58.00588	1.0
59.01378	33.2
61.54743	0.4
61.98825	2.3
65.54451	0.4
66.25826	0.5
69.03445	1.2
70.74822	1.2
71.01382	23.2
72.01692	0.6
72.13094	0.5
72.99294	2.0
73.02943	20.0
75.00841	1.0
81.03422	0.9
83.01394	5.2
83.04997	0.5
85.02943	4.2
87.00864	3.5
89.02442	13.1
95.01375	1.0
97.02952	2.9
99.00868	1.5
101.01801	1.1
101.02446	20.1
111.04493	0.5
113.02457	6.6
119.03505	3.4
125.02459	4.6
131.03455	1.2
135.04526	1.0
136.48549	0.5
141.01906	0.6
143.03484	2.1
155.26976	0.5
161.02451	0.6
161.04582	2.9
179.05577	2.2
195.25063	0.6
209.52052	0.5
221.06606	1.1
235.08224	4.1
235.66554	0.4
241.98935	0.5
253.09198	1.2
263.07684	0.6
277.21710	33.2
278.22037	2.6
287.07669	1.8
305.08795	0.8
371.71207	0.5
379.12082	0.5
385.72852	0.6
388.04440	0.6
397.13467	23.0
398.13708	2.1
409.30865	0.6
415.14597	10.9
425.34174	5.7
426.34454	0.7
453.33746	14.2
454.34061	2.2
471.34839	5.6
535.48022	0.5
536.54999	0.5
580.49811	0.6
621.30835	0.8
675.41107	100.0
676.41449	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	675.3879
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67619	3.3
54.66604	2.8
58.27473	2.9
58.33735	3.6
59.01376	8.0
61.98815	2.8
71.52496	4.0
72.31873	3.1
74.28676	2.9
78.95907	82.0
81.03452	8.4
83.05022	4.8
84.02161	13.1
85.02944	5.6
91.20831	2.7
95.05070	5.4
96.96960	3.4
109.06601	6.4
110.98517	35.4
114.39596	3.4
133.06677	3.1
135.08153	19.8
152.99580	25.2
156.67052	3.6
163.11276	4.4
167.01141	20.3
178.88487	3.9
185.02194	3.7
189.12827	29.1
196.89456	23.5
207.10214	9.3
209.11687	4.2
211.13409	11.2
221.11778	10.3
225.11368	19.6
233.11853	21.4
239.12883	12.7
251.12990	14.7
253.21823	15.8
255.23294	100.0
256.23566	7.9
269.13916	8.0
281.24805	6.8
283.26324	5.4
391.22461	9.4
401.13443	3.7
407.14868	8.5
409.23441	4.9
423.25232	11.3
439.17328	35.0
610.84119	3.6
631.36023	5.2
643.36102	11.5
657.37622	24.2
675.38702	80.3
676.38824	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.7
57.03440	1.0
58.00596	2.0
59.01380	50.0
60.01717	0.5
61.98837	0.4
67.01882	0.3
68.99812	0.6
69.03444	2.1
71.01382	40.5
72.01716	0.4
72.99316	2.9
73.02950	7.6
74.05212	0.2
75.00877	0.9
75.86626	0.2
76.07743	0.2
80.95358	0.2
81.03465	2.0
83.01381	4.7
83.01830	0.4
83.05022	0.4
85.02948	8.7
86.00090	0.4
87.00877	10.6
87.04523	0.3
89.02444	36.8
90.02783	0.4
91.04018	1.2
93.03441	0.5
94.76942	0.3
94.97007	0.3
95.01392	3.2
95.04990	0.3
97.02945	7.5
97.06574	0.3
98.04481	0.2
98.19936	0.6
99.00878	2.6
99.04522	0.7
101.02441	31.9
101.12290	0.3
102.02768	0.4
103.00373	0.4
109.02941	0.6
111.00885	0.5
111.04526	1.2
113.02450	15.9
115.03979	0.6
119.03501	11.8
121.02950	0.7
123.00874	0.4
123.04553	0.4
124.01670	0.5
125.02446	13.3
126.02760	0.5
127.04013	0.4
127.07655	0.5
129.01884	0.6
131.03514	1.9
133.05101	1.5
135.04517	0.3
137.02432	0.4
139.03975	1.2
141.01903	0.8
143.03497	7.1
149.04599	1.6
161.03236	0.5
161.04558	7.7
167.03485	1.1
169.05095	0.5
179.05612	7.2
181.05008	0.5
185.04582	1.1
199.06136	0.8
203.05603	0.7
217.07179	1.5
219.05095	0.7
221.06609	2.8
233.22626	0.4
235.08220	14.9
236.08609	0.6
245.06654	1.4
253.09267	3.9
259.20517	0.5
263.07733	1.6
275.19910	0.3
277.09512	1.2
277.21704	100.0
278.22034	7.3
287.07712	3.6
305.08813	4.6
323.09766	1.8
361.11392	0.7
379.12573	1.4
397.13480	86.3
398.13843	4.9
415.14551	37.8
416.14835	2.3
598.65668	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3513
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61654	0.6
59.01381	100.0
61.14970	0.6
61.98826	1.6
78.95912	4.2
91.27901	0.7
98.20660	1.9
109.79800	0.6
135.08199	2.3
143.07173	0.9
152.99593	1.5
179.07132	4.2
229.02867	0.9
253.09351	0.9
253.21828	2.0
255.23238	1.3
277.21655	6.6
342.38950	0.7
531.32397	0.7
617.17291	0.7
675.35779	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26321	0.2
54.33921	0.2
55.01873	1.8
57.03460	1.8
57.55243	0.2
58.00592	2.3
59.01379	50.7
60.01715	0.3
67.01875	0.4
68.99804	0.8
69.03456	2.4
71.01381	41.5
72.01748	0.5
72.99306	3.0
73.02548	0.5
73.02950	7.8
75.00879	1.1
81.03454	2.1
83.01385	4.8
83.05029	0.5
85.02949	9.9
86.00098	0.4
87.00341	0.5
87.00874	10.5
87.04504	0.5
89.02444	37.2
90.02771	0.4
91.04024	0.8
93.03490	0.4
93.80184	0.2
94.60118	0.2
95.01380	2.8
97.02949	6.9
97.06575	0.2
99.00882	2.4
99.04526	0.4
101.02441	34.4
102.02775	0.5
103.04052	0.4
109.02940	0.6
111.00869	0.6
111.04527	1.5
113.02449	16.6
115.04013	0.9
119.03502	11.1
121.02940	0.7
123.00892	0.6
123.04494	0.3
124.01663	0.6
125.02449	14.4
126.02788	0.4
127.03987	0.7
127.07640	0.4
129.01888	0.3
131.03508	1.7
133.05090	1.2
137.02432	0.4
139.04012	1.4
141.01933	0.7
143.03499	7.5
144.03787	0.3
149.02498	0.3
149.04544	1.7
151.03984	0.3
161.04541	8.1
163.04114	0.3
167.03481	0.7
169.05086	0.6
171.03011	0.5
179.05602	8.1
185.04544	0.7
199.06128	0.6
203.05623	0.5
217.07210	1.2
219.05026	0.6
221.06673	3.0
233.22795	0.4
235.08209	15.5
236.08592	0.7
245.06668	1.0
253.09280	3.5
259.08423	0.3
259.20682	0.5
263.07748	2.1
275.20212	0.5
277.09561	1.2
277.21701	100.0
278.22052	7.5
287.07736	4.3
288.08075	0.3
291.23236	0.4
305.08685	4.2
306.09174	0.2
323.09793	2.1
361.11371	0.6
379.12518	0.9
397.13489	84.5
398.13821	5.6
415.14545	37.3
416.14789	2.4
648.72601	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51357	1.3
55.01873	2.1
55.72844	1.2
57.03444	1.2
58.00591	2.1
59.01380	100.0
60.01709	1.1
60.99293	1.8
61.98833	8.4
69.18423	2.7
69.18826	11.5
71.01382	52.9
72.99285	2.4
73.02950	22.9
73.03844	1.3
83.01379	7.6
85.02953	14.8
87.00893	3.1
88.98768	1.6
89.02446	37.8
90.92469	1.5
95.01392	5.9
97.55676	1.3
98.19962	3.9
101.02443	32.7
113.02457	26.5
115.00374	2.8
119.03515	15.7
125.02403	1.9
131.03493	3.6
133.01443	3.1
135.04535	6.2
136.04807	1.9
143.03473	4.6
149.04567	1.9
161.04601	9.5
167.42944	1.3
179.05605	6.8
277.10944	1.7
412.24103	1.6
532.22156	1.5
569.29694	40.6
570.29694	4.8
587.30688	33.6
588.31531	2.1
629.32275	7.4
658.29303	1.4
673.37988	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	672.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37976	0.3
61.98829	100.0
68.76236	0.4
71.52269	0.4
71.52625	0.4
78.95907	0.8
117.03459	0.3
119.05026	0.6
135.04486	0.4
145.02969	0.9
163.04179	0.3
166.07729	0.3
223.40672	0.4
346.06625	0.4
445.29611	0.6
512.75415	0.3
609.34357	2.5
697.40430	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00595	2.9
59.01379	100.0
61.98814	2.7
69.42267	14.9
71.01382	43.0
72.25973	2.2
72.99309	3.5
73.02920	4.8
82.25817	1.8
83.01361	7.2
85.02946	13.4
87.00885	4.7
88.98792	15.6
89.02441	29.3
91.88547	2.0
95.01394	4.6
96.96017	4.0
99.00896	1.9
101.02441	21.8
113.02446	21.7
118.43374	2.2
119.03493	9.1
133.01477	5.2
135.02954	3.3
135.04535	13.5
136.05276	6.3
143.03474	3.6
161.04590	4.5
165.09189	6.2
166.11134	1.8
308.11877	2.1
327.08096	2.0
345.23083	2.6
473.85126	1.9
487.30029	2.4
511.32605	5.9
569.29669	71.7
570.29755	11.1
587.30664	54.2
588.30811	6.2
629.31329	6.4
660.59137	2.3
673.27094	4.6
673.37524	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98845	2.2
86.12106	1.9
98.20694	7.2
106.09344	1.8
108.02216	2.8
109.02884	2.4
115.00349	2.7
133.01360	3.6
134.53754	1.9
135.04477	3.0
137.51755	2.1
141.89305	2.2
151.00391	10.5
178.99828	3.4
193.14232	2.1
195.49031	2.1
243.03061	4.9
254.02283	3.9
255.02982	19.2
271.02487	42.2
272.02878	3.0
300.02777	87.7
301.03470	37.4
405.29681	2.3
436.67548	2.4
447.09402	7.8
466.19385	4.5
510.18570	4.1
609.14606	100.0
610.14899	10.0
672.24261	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	671.267
Annotation	Kamalachalcone A
Peak:m/z	Relative Intensity
59.01369	10.5
61.98822	14.1
67.85433	6.0
78.95880	10.1
79.73709	6.0
89.61947	5.2
149.06087	6.0
157.31511	5.7
201.09258	15.5
219.10236	8.8
255.23189	30.7
263.09158	15.7
281.24802	15.9
607.97455	6.6
671.26837	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.4009
Annotation	Guineamide D
Peak:m/z	Relative Intensity
53.24299	0.3
56.11663	0.4
57.03445	0.5
59.01112	0.6
59.01382	7.6
61.98826	4.0
71.01386	3.1
71.04963	0.3
71.52675	0.4
73.02936	1.2
85.02954	2.2
87.00843	0.8
89.02423	1.8
95.01389	0.7
96.16371	0.3
96.96022	0.9
97.02963	0.5
97.06554	0.5
99.04526	0.5
101.02459	1.7
105.03464	3.3
109.02934	1.2
111.00953	0.4
113.02454	2.4
116.92851	0.6
123.04530	0.3
125.02390	0.9
126.43439	0.4
133.01418	0.6
133.02962	1.7
135.04503	0.8
135.90416	0.4
136.05270	0.8
137.02420	2.5
137.06068	0.5
139.03973	0.4
148.01778	0.5
149.02429	1.0
149.06097	6.1
150.06859	43.0
151.07312	1.5
152.96561	0.3
159.04480	0.4
161.09692	0.9
162.06801	0.6
163.03964	0.5
163.07646	9.8
164.08415	5.7
176.08432	1.6
177.01959	4.2
178.09987	3.4
179.10757	12.7
187.07607	0.6
193.08684	0.4
207.10281	0.6
209.04546	6.8
209.11824	0.8
210.05009	0.5
225.11176	0.7
229.08783	0.6
231.10254	1.3
265.21799	0.5
283.22870	0.8
327.25357	1.1
329.23303	5.2
427.10849	0.4
430.30777	0.8
445.33035	0.8
446.33621	0.8
448.31900	8.5
449.32242	0.6
462.33542	1.1
463.34262	10.4
464.34351	0.7
464.70364	0.4
490.33179	2.1
491.33783	2.4
508.33865	3.0
509.34805	26.6
510.35263	2.6
520.28271	0.5
569.29626	1.8
587.31042	0.5
629.34021	0.9
671.40106	100.0
672.40448	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	669.3856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21638	0.5
53.10287	0.6
57.03453	0.8
58.00603	0.6
59.01381	8.6
61.98845	3.4
64.32589	0.5
64.86398	0.5
71.01376	4.7
71.52087	0.9
73.02944	1.9
74.27413	0.6
76.12589	0.6
78.95893	0.7
83.01391	0.6
83.05039	0.9
85.02952	2.2
87.00874	1.1
89.02442	1.7
96.96010	5.1
97.06582	0.9
99.04518	1.8
99.92577	1.3
101.02434	2.2
108.46518	0.5
109.06560	0.8
111.04540	1.0
113.02426	3.1
115.00378	0.9
115.92055	2.2
116.92858	9.7
122.43898	0.6
133.01436	1.0
135.02997	0.8
135.04521	2.0
135.08257	0.6
136.05261	0.6
137.06134	0.7
143.03453	0.8
148.05290	0.6
149.06088	5.8
150.06863	44.3
151.07301	1.3
163.07645	10.7
164.08382	5.9
176.08426	2.1
177.01959	0.6
177.09207	1.4
178.10007	4.1
179.10785	11.5
225.11227	0.8
263.20227	0.6
281.21143	0.8
325.23758	1.6
327.21628	5.2
425.31299	0.6
428.29346	1.3
443.31824	1.7
446.30377	7.3
448.72894	0.6
460.31726	1.1
461.32669	9.8
462.33051	1.0
488.31436	2.2
489.32144	3.1
506.32578	2.6
507.33267	28.8
508.33597	3.0
549.34137	0.7
627.33844	0.8
651.30359	1.1
669.38568	100.0
670.38983	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	670.199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.7
61.98829	100.0
63.80035	0.5
74.57938	0.6
89.21453	0.6
96.96014	1.2
107.79034	0.6
109.34026	0.6
113.23861	0.6
115.00378	1.3
121.02956	2.6
126.09740	0.6
133.01392	1.2
135.04536	1.9
147.04506	1.4
171.06674	0.6
208.97432	0.6
240.04317	1.1
255.10254	1.3
269.08136	12.0
270.08612	0.6
270.75537	0.6
271.09668	0.6
278.36331	0.6
281.08276	1.5
283.09753	4.8
295.09637	1.2
299.09229	9.8
309.11124	0.7
311.09290	11.9
314.11554	22.8
315.11923	1.0
325.10831	2.4
326.11572	14.2
329.13919	85.7
330.14212	7.5
341.13916	43.3
342.14355	3.6
359.15082	1.6
371.15292	0.9
390.28098	0.6
627.26581	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60671	0.4
59.01380	24.6
61.98819	0.9
71.01382	7.5
71.52181	0.4
73.02952	2.4
83.01393	0.9
85.02988	2.0
87.00885	0.8
88.98853	0.5
89.02450	3.2
90.53563	0.4
91.05540	4.1
93.03460	1.3
95.01382	0.8
97.06587	1.4
101.02442	2.8
103.83980	0.5
105.03514	0.5
107.05029	13.1
108.02187	5.5
109.02950	0.6
113.02467	2.8
115.00401	0.6
116.92862	1.0
119.03487	1.0
121.02960	1.8
122.03752	0.8
124.01672	3.3
125.02478	2.9
133.01425	1.0
133.02939	0.6
134.03754	1.2
135.04529	100.0
136.04956	1.9
137.02435	0.9
137.06053	0.7
143.03467	0.7
150.03239	1.5
151.03999	5.7
152.04276	0.5
161.02457	1.2
161.04517	1.1
162.03174	0.9
165.09212	0.8
176.04744	0.5
177.01945	0.9
179.03534	0.9
180.04240	0.7
181.05067	2.3
202.09248	0.5
209.04507	1.3
211.13367	1.4
224.03262	0.6
252.83524	0.5
253.08856	1.2
259.09671	0.4
277.10815	12.6
278.11072	0.7
321.09763	9.7
322.10312	0.6
373.56808	0.5
435.89139	0.5
439.14001	1.8
463.75095	0.5
506.17538	0.5
509.31247	1.0
541.11725	0.4
551.28485	3.6
569.29675	7.0
587.31128	2.4
611.31201	1.3
627.26660	2.0
629.32440	1.6
671.36572	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	669.3858
Annotation	Ajugasalicioside F
Peak:m/z	Relative Intensity
54.44909	0.5
56.62051	0.6
57.03453	1.0
59.01381	8.1
61.98832	4.0
69.08284	0.5
70.65406	1.4
70.65768	1.0
71.01373	4.7
71.04996	0.7
73.02944	1.3
83.01393	0.7
85.02935	1.5
87.00885	1.2
89.02446	2.8
94.54667	0.6
94.69895	0.5
96.96008	3.3
97.06593	1.1
98.19999	0.7
99.04521	1.7
101.02438	2.3
111.04521	1.0
111.99613	0.5
112.88605	0.6
113.02427	2.2
115.00375	0.7
115.92062	2.4
116.92860	5.9
118.92698	0.7
119.03507	1.0
121.02945	0.9
123.04523	0.6
133.01378	0.8
134.03725	0.5
135.04512	1.4
135.08228	1.4
137.02507	0.6
142.46565	0.5
149.06076	5.9
150.06873	44.0
151.07233	1.7
157.08698	0.6
161.04568	0.6
161.09744	1.0
163.07648	9.6
164.08456	4.7
176.08340	1.3
177.01944	0.7
178.10023	2.8
179.03381	0.8
179.10767	11.9
180.11148	0.8
193.08711	0.7
225.11342	0.7
263.20160	1.0
279.23389	1.0
281.21237	0.7
325.23874	1.4
327.21829	4.6
377.26599	0.6
421.25778	0.8
428.29312	1.6
443.31619	2.1
446.30524	7.6
460.31601	1.3
461.32596	8.9
462.32626	1.0
488.31351	2.0
489.32050	1.9
506.32175	2.4
507.33273	24.4
508.33548	2.5
609.32819	1.0
627.33887	1.9
651.29706	0.8
669.38574	100.0
670.38892	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	669.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32779	2.0
59.01377	64.1
68.91326	1.8
69.03455	6.2
71.01381	80.2
71.51783	2.6
72.99284	5.5
73.02951	10.2
73.22606	2.2
75.00864	4.7
77.57887	2.4
81.03448	3.4
83.01389	5.7
85.02951	8.7
87.00894	2.7
89.02446	98.8
97.02915	12.4
99.00877	17.3
101.02451	16.0
108.02175	3.3
109.02945	22.2
113.02469	11.7
115.00373	2.5
115.04015	6.9
121.02913	5.0
125.01522	4.0
125.02448	66.2
131.03499	17.6
133.01421	7.9
133.02943	3.1
134.03735	6.1
135.02980	3.1
135.04521	9.0
136.01659	76.7
143.03487	4.7
149.04549	20.9
151.04002	83.2
159.04550	3.0
160.05310	5.6
161.02415	3.8
178.05078	4.6
191.05644	15.5
193.05034	8.9
222.04039	4.0
233.06654	50.8
234.07114	2.8
239.07149	5.2
267.06604	54.6
268.07205	2.3
282.08954	46.3
283.09171	4.3
293.08792	100.0
294.09186	4.4
297.11279	79.7
298.11649	6.3
326.48553	2.3
345.13354	34.1
346.13269	2.9
357.13373	12.2
358.09247	9.0
365.39185	2.6
375.14407	4.6
639.22906	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
66.62305	0.4
69.79174	2.3
71.33582	0.4
85.35098	0.4
116.66056	0.5
121.02970	1.4
122.03749	0.7
134.03870	0.4
136.01665	22.8
145.44806	0.5
151.04005	36.3
152.04376	1.1
163.04126	0.6
175.07692	0.5
342.11346	1.4
357.13412	52.3
358.13739	3.6
476.74506	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.1
61.98831	100.0
70.74632	0.7
78.95901	4.5
79.95741	1.0
80.96568	1.0
90.63366	0.7
93.52652	0.6
95.95262	1.2
96.36759	0.6
96.96019	2.5
103.01906	0.7
104.26868	0.7
113.38111	0.7
152.99615	1.4
171.10287	5.5
172.10670	0.8
236.70531	0.7
255.23253	2.6
277.21658	3.8
278.22144	1.8
345.37650	0.7
381.70139	0.8
525.50598	0.7
529.22461	0.8
659.65967	0.8
669.32458	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	668.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63592	0.2
59.01381	0.3
61.98829	100.0
69.53777	1.2
71.01377	0.3
78.95930	0.2
81.26163	0.2
117.03473	0.6
119.05014	1.0
136.19203	0.2
136.20959	0.2
145.02936	1.8
153.05629	0.4
155.07129	0.2
163.04019	0.4
199.09760	0.6
200.10118	0.3
209.61839	0.1
249.18614	0.2
250.18971	0.2
253.09238	0.4
277.21744	1.8
350.95682	0.2
374.44690	0.2
436.19843	0.2
441.26743	0.5
459.27838	0.3
605.31219	4.2
605.40784	0.3
606.31879	0.6
614.33844	0.2
636.26019	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
65.65424	0.1
68.02154	0.1
71.28755	0.3
87.75979	0.1
103.25057	0.2
109.49117	0.2
117.03490	0.7
119.05031	0.7
121.02951	0.3
145.02943	2.0
154.53055	0.1
163.04051	0.5
171.10289	0.3
277.21475	0.8
278.22025	0.2
441.26605	0.5
459.27652	0.5
605.31201	4.2
605.40662	0.2
606.31757	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
57.54069	0.4
57.97552	1.5
59.01379	2.3
61.98831	0.4
66.92030	0.4
71.01386	0.7
75.07323	0.4
75.31554	0.3
78.95901	0.6
79.95724	1.0
84.93850	0.5
96.96013	21.0
97.95911	0.3
98.20663	1.5
98.95592	8.2
98.96420	1.3
99.00900	1.0
99.92583	16.3
100.92703	0.5
100.93369	2.5
103.00370	0.6
114.93404	0.7
115.92078	25.2
116.92859	100.0
117.92887	3.9
140.92841	0.6
141.93637	0.4
142.94458	1.0
150.03333	0.4
155.11986	0.5
156.92355	0.8
157.90216	0.4
158.93922	0.6
174.93353	0.4
179.05679	0.3
184.91797	2.9
184.95428	0.5
196.95482	0.5
224.94901	0.4
230.50983	0.4
315.01791	0.5
316.02115	0.4
373.99832	0.4
374.05859	0.4
437.83594	0.4
438.84216	0.4
478.01331	0.8
503.09381	0.4
541.28723	0.3
546.10468	0.6
564.11041	2.3
565.11346	0.6
582.12366	2.9
583.12329	0.7
594.11737	0.7
606.12256	1.2
624.13330	4.3
625.13013	0.7
632.10126	1.1
668.12213	12.3
668.23602	0.6
669.12354	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06384	0.3
52.61597	0.3
56.22802	0.3
59.01420	0.3
63.78997	0.3
68.01293	0.3
69.59971	1.4
69.68902	0.2
71.01379	14.1
72.00916	0.5
72.01710	0.3
72.36409	0.3
73.96035	0.3
89.03977	0.8
95.44484	0.3
96.95966	0.3
98.20595	0.6
99.36385	0.3
100.00426	0.8
103.45264	0.3
109.02968	0.6
115.00377	8.7
117.03468	4.7
121.03024	0.3
123.04536	0.4
133.01433	9.8
133.02907	1.4
134.03738	56.6
135.04550	12.1
136.04852	0.4
137.02422	1.6
139.04051	0.4
147.03026	0.5
149.06075	6.4
151.04073	0.3
155.90482	0.3
160.03998	1.9
161.02414	5.3
178.02716	4.9
178.05072	9.0
179.03462	1.2
179.05399	0.3
184.48946	0.3
193.05042	100.0
194.05351	4.2
196.06129	0.5
222.04074	8.3
264.31595	0.4
308.56293	0.3
309.06116	4.7
310.06610	0.3
358.09305	16.6
359.09653	1.4
433.79514	0.3
552.16858	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31082	1.6
56.36074	1.2
56.80748	1.1
57.56420	1.1
59.01379	100.0
61.98827	6.5
69.30602	9.5
71.01400	1.8
71.54742	1.4
78.95911	2.3
102.22107	1.3
135.04524	1.7
146.25520	1.2
160.94624	1.4
162.23854	1.2
171.10266	2.0
199.09680	7.5
226.07794	1.2
249.18549	6.0
277.21671	1.5
413.27219	1.4
435.18707	3.0
459.77939	1.6
487.34393	1.7
631.22473	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
69.52050	34.3
71.01386	21.9
98.20707	11.5
115.00368	30.5
119.05028	23.7
123.04500	6.4
125.02479	7.9
133.01421	100.0
134.03770	41.6
135.04530	6.0
137.02534	5.4
139.32631	5.3
163.03992	27.6
193.05078	62.8
199.80849	5.1
209.04628	7.6
239.05617	7.1
256.93292	6.3
358.09134	10.4
658.10327	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	665.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86806	1.3
55.91946	1.5
59.01384	2.6
69.33223	10.8
69.33633	2.5
71.01391	16.3
96.14208	1.7
96.96008	6.9
115.00355	14.7
119.05029	44.7
123.89957	1.8
125.02440	6.4
133.01428	20.1
135.04507	2.7
146.84894	1.6
155.47765	1.8
159.39038	1.5
161.02399	2.9
162.44838	1.8
163.04002	100.0
164.04385	5.1
179.03508	2.0
243.25259	1.7
275.19830	1.7
277.10794	5.6
279.05099	4.6
304.68402	1.7
305.10837	4.3
306.11044	4.9
367.42291	1.8
405.55075	2.1
482.61545	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	666.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07149	0.2
57.97542	0.2
59.01383	6.4
59.01688	0.3
61.98840	0.3
69.68388	0.2
70.51640	0.3
70.51985	0.6
71.01365	0.5
73.02914	0.2
78.95901	3.7
79.95738	3.9
81.31673	0.2
82.49780	0.3
83.06142	0.4
94.98096	0.4
96.12980	0.2
96.96013	100.0
96.96896	4.0
97.93139	0.5
101.02465	0.3
113.02444	0.3
113.92628	0.6
114.93403	2.8
170.03941	0.3
247.07895	0.7
329.51089	0.2
359.18201	3.7
360.18408	0.3
542.14435	0.3
648.12988	0.2
666.12585	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.417
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14118	1.0
57.03443	4.6
59.01378	5.3
61.98825	6.2
71.01389	3.3
73.02931	1.3
78.95901	3.8
85.02980	1.6
87.00893	1.3
89.02426	1.6
95.01408	1.4
95.05000	2.0
97.06592	14.1
101.02428	3.7
113.02454	1.9
122.69550	1.1
123.08147	7.5
125.09724	80.7
126.10072	3.1
137.87924	0.9
152.99611	2.8
161.04541	2.2
169.08623	2.2
187.09766	31.4
188.10100	1.5
235.08197	3.6
253.09245	3.5
255.23303	55.1
256.23557	2.7
256.62979	1.1
264.12427	1.0
279.23148	1.3
405.17764	4.0
423.18604	3.9
593.13702	1.3
661.41730	100.0
662.42023	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	665.1529
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	10.9
59.01387	0.5
61.73621	0.4
69.30984	2.3
69.31409	1.3
83.01389	1.3
83.04981	0.5
85.92732	0.4
93.03447	4.5
96.90815	0.5
98.19864	0.9
107.05024	0.6
109.02949	5.4
111.04549	1.0
117.03454	0.9
121.02948	1.0
123.04446	0.6
124.01630	0.6
125.02443	100.0
126.02792	2.4
133.02948	3.4
134.03740	1.3
135.04524	14.8
137.02440	4.5
139.04002	0.6
145.02966	2.1
147.04507	0.8
149.02394	0.7
150.03174	1.3
151.00427	0.5
151.03989	1.0
155.03424	0.5
159.04538	1.3
161.02434	25.0
162.02919	1.3
163.00359	0.6
164.01157	2.2
165.01956	1.1
171.09435	0.5
172.05264	0.6
173.06126	0.8
175.04015	1.4
177.01938	2.1
179.03488	7.2
180.03796	0.5
183.04544	0.7
185.06029	0.6
187.03984	1.4
189.01952	0.7
193.06480	0.5
197.52737	0.5
199.03992	1.1
201.05528	0.8
209.06049	0.9
211.04039	0.9
211.07700	2.3
213.05539	0.8
225.05611	1.3
227.03442	3.4
227.07011	0.6
228.96085	0.5
229.05099	1.2
239.03352	0.5
241.05148	0.7
243.02953	0.5
245.04510	1.4
253.05107	1.4
255.02945	5.9
255.06546	1.6
269.04547	1.6
271.06100	6.4
273.07590	2.6
279.06604	0.5
283.06067	2.4
284.03256	8.3
285.04041	3.6
287.05566	12.4
288.05899	0.7
295.06155	0.9
297.04050	5.2
297.07718	1.9
298.04834	0.7
301.07355	0.7
309.04370	0.7
313.07181	0.9
317.06573	5.6
323.05704	1.2
327.05173	1.9
348.06271	1.1
363.08569	0.6
377.08722	5.0
378.09207	0.6
405.09906	1.3
423.10791	5.4
424.11337	1.0
447.07440	0.8
449.08719	11.5
450.08932	1.0
453.08292	2.4
513.10480	1.3
605.12878	7.0
606.13281	0.7
621.14630	6.5
622.14618	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4314
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37157	0.3
57.03467	0.3
59.01379	100.0
60.01721	0.4
61.98837	1.1
64.21549	0.3
71.49815	0.2
72.96221	0.2
78.95905	1.7
80.46568	0.2
98.20645	0.9
124.62614	0.2
152.99611	1.0
184.87521	0.2
196.11606	0.3
225.11522	0.3
229.77061	0.3
255.23216	0.7
256.23792	0.4
279.23370	0.4
297.45663	0.3
303.23248	0.3
583.46387	0.3
638.53430	0.3
659.35968	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4312
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88507	1.0
52.45284	0.9
59.01379	100.0
61.98838	1.6
78.95900	6.9
81.19310	1.2
82.56475	1.1
86.99930	1.0
94.71642	1.1
152.99577	3.5
203.18881	1.0
255.23236	2.3
279.23267	1.9
281.10605	1.1
306.28900	1.1
392.57379	1.2
450.84140	1.2
474.40656	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4315
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98827	7.6
73.09372	0.9
76.27150	0.8
78.95913	6.6
96.97021	1.1
111.73367	0.8
152.99574	2.6
255.23338	2.7
259.16837	0.9
279.23346	2.1
483.81442	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	47.3
61.98828	27.5
71.01378	54.7
76.63219	4.8
78.95892	9.5
85.02963	13.4
87.00892	10.3
89.02448	54.2
95.01386	5.8
98.20728	11.8
101.02438	28.1
113.02431	25.0
119.03482	14.9
136.14697	5.5
143.03493	9.0
161.04523	10.9
179.05583	27.9
188.70996	5.1
200.93849	4.7
209.88304	5.3
229.78267	7.3
277.21719	100.0
278.22015	7.3
323.09869	33.7
341.10876	60.0
528.47595	5.5
601.31519	6.5
623.30347	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	657.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	4.2
71.51709	3.0
71.52094	4.2
72.02451	2.9
75.78120	3.1
89.75548	3.0
92.09879	2.5
93.03424	3.0
96.96011	9.1
100.06128	3.2
100.81054	3.0
104.33767	3.2
111.48451	2.7
115.28970	3.1
115.92041	3.7
121.02956	3.4
122.03735	4.4
126.92690	2.8
132.74165	2.9
133.01459	4.8
133.03018	3.7
136.05345	2.9
138.35643	2.7
149.02449	29.3
150.03227	71.0
151.03909	4.6
163.03891	2.9
164.04788	12.4
165.05574	100.0
166.06026	6.4
195.06604	28.0
213.07666	5.4
285.07599	6.3
286.08502	4.9
301.10815	18.8
324.77618	3.3
361.12888	49.9
409.15021	71.2
410.15512	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	658.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08978	0.4
59.01379	5.8
60.99305	17.8
71.52374	0.5
82.13760	0.5
88.98805	100.0
89.99140	0.4
148.14841	0.5
161.04613	0.5
198.30515	0.5
247.07880	0.7
271.34671	0.4
358.36880	0.4
359.18243	3.0
367.96378	0.5
409.69614	0.4
457.61584	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4319
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01709	0.9
61.98830	3.0
62.86463	0.4
70.92365	0.9
78.95913	3.3
152.99567	1.2
176.40135	0.5
192.22990	0.4
200.31644	0.5
215.94934	0.4
245.82968	0.4
251.98923	0.4
255.23447	1.4
269.44513	0.5
279.23492	0.9
355.28067	0.4
571.19434	0.4
607.80615	0.5
659.36517	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51188	0.6
59.01365	0.8
67.95567	0.6
69.16119	0.6
70.63943	1.8
70.71168	0.6
86.53116	0.6
88.98267	0.6
96.32646	0.6
104.15052	0.6
104.83297	0.6
115.00364	1.0
119.05045	1.3
121.02970	1.0
125.02457	0.6
130.49374	0.7
133.01418	1.2
133.02983	0.8
134.03741	45.8
136.01666	1.8
137.02467	6.8
139.04010	2.9
149.06073	15.1
150.03185	1.2
150.59718	0.7
151.03957	2.3
163.03949	1.4
165.05479	0.9
178.02708	28.0
179.03215	0.7
193.05046	100.0
194.05418	3.1
355.10315	8.8
408.13693	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	655.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50543	0.3
55.01881	0.4
55.31578	0.3
59.01375	3.6
61.98824	0.9
63.64983	0.4
69.03458	3.3
69.35870	3.4
71.01376	2.7
73.02950	1.5
78.95899	1.6
81.03445	0.8
83.01395	0.5
83.05024	1.6
85.02957	1.4
87.00870	1.6
89.02453	1.5
90.84604	0.4
93.03460	0.7
94.45974	0.4
95.05025	44.0
95.82035	0.4
96.05386	0.7
97.06585	100.0
98.06923	2.3
101.02435	3.8
113.02458	1.4
115.07654	8.2
141.05609	2.1
145.05086	0.9
159.06624	34.5
160.06982	1.1
161.04538	1.5
176.58841	0.4
200.73891	0.4
215.09364	0.4
218.04543	0.4
233.10376	0.6
235.08255	3.0
250.63669	0.4
253.09207	3.3
277.21713	39.0
278.22107	2.3
377.14441	4.9
395.15527	6.0
440.58325	0.4
493.31622	1.0
524.08026	0.4
551.47675	0.5
565.91138	0.4
617.01892	0.4
655.36951	80.6
656.37238	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22658	3.2
58.36757	3.1
59.01373	8.2
61.98829	100.0
70.99873	3.6
71.01352	6.6
71.51885	3.6
78.95882	3.1
80.71180	2.9
85.21745	2.9
96.96007	15.1
110.27093	3.5
121.02936	22.2
135.04532	4.9
157.58705	3.7
209.04553	17.7
209.11865	3.3
237.78923	4.1
316.29312	4.2
353.15131	3.3
577.04083	3.9
593.13019	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	656.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38204	1.1
56.28217	1.1
61.98831	23.2
65.40730	1.0
66.40392	1.0
70.85381	3.1
90.14971	0.9
107.01410	1.7
109.02965	1.0
115.00383	2.3
133.01408	2.6
138.45782	1.2
151.00352	2.4
153.78366	1.1
159.04472	1.2
163.00285	1.6
166.53308	1.0
171.04518	1.1
179.03400	1.1
185.06047	1.6
187.03896	3.0
195.04291	1.5
199.03918	1.1
207.31729	1.1
211.04044	1.9
213.05484	2.4
227.03487	20.9
229.04994	7.7
241.04990	1.6
255.02971	38.8
256.03549	4.0
257.04575	6.7
284.03238	53.7
285.04004	67.8
286.04260	4.0
324.08893	1.2
333.95065	1.1
593.15076	100.0
594.15521	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	655.3699
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	4.7
58.00601	0.4
59.01380	8.9
61.98819	1.0
68.16759	0.4
69.03465	1.0
70.32188	0.7
70.32549	1.4
71.01379	4.5
71.76765	0.5
72.72822	0.4
72.99297	0.6
78.95890	0.5
80.02705	0.6
83.01428	0.5
83.05023	0.9
85.02964	0.7
87.00888	0.6
89.02448	5.5
95.05032	1.2
96.92583	0.4
97.06586	14.6
101.02446	3.4
113.02464	2.3
119.03510	1.3
123.08176	6.6
124.08527	0.4
125.09723	100.0
126.10046	2.7
132.95662	0.4
141.01706	1.8
143.03481	0.6
143.10788	1.1
155.44086	0.4
160.94519	0.4
161.04512	0.8
169.08711	2.8
179.05722	0.6
187.09747	70.7
188.10138	2.4
211.09718	0.7
231.17459	0.4
249.18579	13.6
250.18880	0.7
253.09309	1.7
261.13458	1.8
270.34955	0.4
359.31589	0.4
359.36191	0.4
405.17657	5.8
406.17902	0.5
423.18707	19.3
424.19028	0.7
493.31390	0.6
539.78558	0.4
655.36945	83.6
656.37238	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	654.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13790	0.6
69.16587	6.6
71.01381	11.0
72.99306	2.6
83.55393	0.6
89.02433	1.1
96.96031	0.9
100.00396	1.5
100.82346	0.6
115.00375	32.5
122.66093	0.7
123.04516	0.8
133.01436	100.0
133.03023	3.8
134.01750	1.6
134.03741	2.3
135.04524	44.0
136.04860	1.3
137.02446	1.0
151.04008	1.3
160.04053	2.1
161.02443	7.8
177.01920	0.8
178.05101	14.5
178.06557	1.2
179.03502	26.1
180.03818	1.3
188.06949	0.7
216.17410	0.6
222.04083	10.0
270.11493	0.8
295.04565	3.8
358.09308	24.2
359.09885	1.1
379.96893	0.6
438.56186	0.8
480.87225	0.7
506.16809	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.98824	6.9
70.78485	2.9
71.01385	10.6
83.95851	3.3
85.02936	4.7
92.51489	2.8
96.96001	9.1
98.19817	4.8
101.02447	6.6
113.02443	5.9
115.00383	5.0
115.72363	3.0
118.32649	2.7
119.05008	5.9
133.01414	7.1
135.04506	4.5
138.19781	3.0
148.04097	3.3
150.05623	4.0
189.02039	3.6
193.05180	5.4
219.26715	2.8
232.08423	4.6
369.77686	2.9
401.19327	4.2
415.68021	3.5
418.89081	2.7
454.19757	9.1
455.20221	6.7
475.11444	2.7
586.68652	3.2
617.26129	4.5
618.26355	11.6
654.39386	4.7
664.20026	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	653.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45029	0.2
55.01880	1.5
55.14598	0.2
57.03442	1.1
58.00598	2.0
59.01381	41.7
60.01706	0.3
61.98820	0.3
67.01878	0.3
68.99821	0.6
69.03456	2.0
70.26096	0.3
70.26458	0.8
71.01382	34.8
72.99305	2.6
73.02948	6.3
75.00883	0.9
81.03470	1.6
83.01383	4.1
83.05019	0.3
85.02953	7.3
86.00101	0.3
86.52264	0.2
87.00879	9.3
87.04501	0.4
89.02445	30.6
91.04008	0.9
93.03444	0.5
95.01394	3.1
95.05041	0.2
97.02948	6.4
98.03316	0.2
99.00883	2.0
99.04510	0.5
101.02443	28.6
102.02824	0.6
103.04012	0.5
109.02962	0.5
111.00900	0.7
111.04532	1.0
113.02451	14.8
114.02775	0.3
115.03999	0.7
115.82571	0.2
119.03500	10.4
121.02959	0.6
123.00833	0.2
123.04531	0.3
125.02446	11.7
127.04000	0.5
129.01968	0.3
131.03499	1.8
133.05026	1.4
139.03992	1.0
141.01936	0.7
143.03514	5.9
149.04558	0.8
153.05475	0.2
157.05035	0.4
161.04556	7.7
167.03508	0.8
169.04974	0.4
171.03003	0.3
179.05615	6.7
181.05086	0.3
185.04570	0.9
199.06073	0.3
203.05615	0.7
212.89723	0.2
217.07173	1.2
219.05125	0.4
221.06639	2.4
235.08226	15.2
236.08543	0.5
245.06709	0.6
253.09326	3.2
255.23283	100.0
256.23611	5.5
263.07809	1.5
263.10303	0.3
269.06454	0.3
269.24963	0.8
271.06070	0.3
277.09280	1.1
287.07718	3.4
293.82211	0.3
305.08746	4.3
323.09964	1.9
361.11340	0.3
379.12405	1.4
397.13498	82.0
398.13831	4.9
415.14569	31.0
416.15005	1.5
439.91132	0.3
653.37714	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.8
56.99802	0.3
57.03440	1.3
58.00579	1.9
59.01379	46.2
69.03461	2.3
70.27147	1.4
71.01379	36.5
72.01721	0.5
72.99316	2.6
73.02946	6.2
75.00862	0.8
81.03469	2.0
83.01390	4.5
83.56759	0.3
85.02952	8.0
87.00871	9.3
87.01384	0.7
89.02443	34.1
90.02774	0.4
91.03996	0.6
93.03452	0.4
95.01393	3.4
97.02950	6.4
99.00885	2.1
99.04526	0.6
101.02441	30.9
109.02978	0.5
111.04524	0.9
113.02449	13.8
114.02751	0.4
115.03962	0.6
119.03496	10.6
121.02940	0.7
124.01659	0.4
125.02443	13.2
127.04027	0.5
131.03494	2.1
133.05081	1.0
137.02341	0.3
139.04001	1.5
141.01892	0.5
143.03508	5.6
149.04521	1.1
157.05116	0.4
161.04555	7.4
167.03505	0.8
169.05006	0.8
179.05605	6.3
185.04494	0.8
199.06026	0.5
203.05582	0.6
217.07199	1.2
219.05106	0.4
221.06644	2.7
235.08232	14.6
236.08453	0.5
245.06624	1.1
253.09261	3.6
255.23279	100.0
256.23642	5.7
263.07761	1.7
277.09268	0.9
278.97681	0.4
287.07693	4.0
288.07877	0.5
305.08685	3.8
323.09808	2.3
361.11105	0.4
379.12228	1.5
397.13480	83.9
398.13782	4.6
415.14548	33.6
415.18845	0.6
416.14807	2.7
653.38214	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
58.13674	0.3
62.96402	0.6
63.45131	0.3
66.38068	0.2
70.97925	0.3
70.98280	0.6
78.95905	100.0
80.96522	1.0
84.39172	0.3
85.38097	0.3
93.01913	0.3
96.96917	0.4
149.00099	4.9
171.00754	0.3
179.01115	0.5
205.15976	2.7
225.00612	0.3
225.48004	0.3
249.99617	0.3
255.23242	0.4
285.12616	3.7
355.16769	2.3
385.17773	1.4
447.13391	5.7
653.30139	56.5
654.30511	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	652.167
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20076	1.1
58.65575	1.1
69.98019	5.2
71.01381	14.2
96.96010	2.2
98.20005	1.5
107.05025	2.0
111.95673	1.3
115.00375	6.3
117.03479	5.0
119.05055	6.5
119.05795	1.4
129.67181	1.1
133.01428	3.7
133.03011	2.0
134.03745	52.1
135.04564	15.7
137.02440	2.0
145.32358	1.2
149.06093	8.7
154.22055	1.4
161.02454	4.3
163.04042	3.8
178.02687	4.8
193.05057	100.0
194.05394	3.8
206.04578	12.9
251.56825	1.2
287.15103	1.2
309.06165	3.7
342.09879	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	653.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.3
61.98823	2.4
64.93736	0.6
68.38931	0.6
69.19170	6.5
76.07672	0.7
96.96033	0.9
107.05032	0.9
115.92070	0.7
116.92882	2.0
117.03496	1.6
125.35131	0.6
132.02132	0.7
133.02962	26.9
134.03755	4.6
135.04527	42.1
136.04829	0.7
137.02472	1.2
161.02446	100.0
162.02818	3.9
177.01924	1.3
179.01927	0.8
179.03497	15.0
211.82718	0.9
311.22247	1.8
329.23450	4.8
458.57953	0.7
473.25418	2.3
491.26492	14.6
492.27133	1.1
653.29688	70.0
654.30212	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	651.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.5
57.03447	0.5
58.00573	1.9
59.01381	32.1
61.98803	1.4
68.06110	0.6
69.03436	1.9
70.71355	1.6
71.01383	28.5
72.99303	2.2
73.02939	5.4
75.00862	0.9
80.96561	0.5
81.03452	1.6
83.01382	3.0
85.02950	6.4
87.00883	7.8
89.02444	26.6
91.03995	0.8
95.01375	2.3
95.05020	0.5
97.02960	4.7
99.00864	1.6
101.02441	24.1
108.74651	0.5
108.75515	0.5
109.02954	0.8
111.04513	0.7
113.02445	12.6
115.04026	0.8
119.03503	8.7
119.16286	0.5
121.02956	0.9
125.02441	11.1
127.03979	0.6
131.03479	1.8
133.05084	0.8
135.04465	1.1
137.02464	0.9
139.04019	1.0
141.01941	0.6
143.03485	4.5
145.44540	0.5
145.68320	0.5
149.04474	0.9
152.51805	0.4
159.08842	0.5
161.02460	0.7
161.04565	5.2
167.03491	0.8
169.05013	0.6
179.03465	0.9
179.05614	6.8
185.04538	0.6
197.91855	0.6
203.05508	0.6
203.29980	0.6
210.69786	0.6
217.07233	0.9
221.06639	1.9
235.08237	13.3
239.26445	0.5
245.06604	0.6
253.09579	2.9
253.21713	100.0
254.22107	6.2
263.07727	1.6
267.23160	0.7
277.09055	0.6
287.07809	2.8
305.08743	3.2
323.09918	1.6
376.69427	0.5
397.13483	70.8
398.13992	2.9
415.14545	29.4
416.15033	1.4
508.10864	0.6
635.35394	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.4
58.00594	1.6
59.01379	68.9
60.01706	0.9
69.03466	7.4
70.01886	3.2
70.02251	1.7
71.01383	69.9
72.01714	1.2
72.99284	2.9
73.02943	9.7
75.00884	2.2
79.01893	2.4
81.03446	4.0
83.01372	5.6
85.02956	7.6
87.00871	2.0
88.58517	0.8
89.02446	100.0
91.25746	0.9
95.01394	3.5
97.02942	10.2
98.19920	0.9
99.00890	15.8
99.04506	1.3
101.02440	14.4
108.02206	1.1
111.00860	2.3
113.02463	8.1
115.04029	7.4
117.01891	0.9
119.03471	2.0
121.02991	1.2
125.02452	52.4
126.02776	1.1
127.04024	1.8
131.03508	10.8
136.01666	26.2
143.03508	5.0
149.04575	17.5
151.04022	23.8
153.88664	0.9
161.04500	2.9
165.81038	0.9
179.78354	0.9
191.05608	12.4
219.18915	0.9
233.06662	45.6
234.07027	1.1
293.08789	52.7
294.09094	3.1
327.12482	1.3
342.10886	1.2
357.13452	6.9
385.17239	1.0
387.14182	0.9
393.82138	0.9
495.79080	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60479	2.0
59.01379	100.0
61.98830	99.7
68.80324	1.8
69.70598	2.1
71.01382	19.9
73.02935	3.0
73.60053	2.0
78.95907	4.3
83.01398	4.8
85.02950	6.6
87.04503	3.2
88.38151	2.0
89.02436	9.2
96.96004	3.4
101.02435	13.4
113.02452	20.7
119.03416	2.7
133.01430	2.2
143.03474	3.1
161.04552	8.9
233.09135	2.5
287.07666	2.3
304.44556	2.3
395.24399	3.8
407.24368	5.2
433.46375	2.7
437.17389	2.3
465.28412	3.7
483.29584	55.7
484.29657	4.1
501.30548	16.2
511.19037	2.7
543.31689	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.8
57.03443	1.1
58.00581	1.9
59.01379	36.4
61.98826	2.2
69.03452	2.5
71.01381	30.3
71.52557	0.5
72.99322	2.4
73.02953	6.6
75.00861	0.7
78.82197	0.4
78.95896	1.0
81.03456	1.9
83.01385	4.0
85.02954	7.0
87.00869	8.5
87.04478	0.4
89.02443	30.2
91.03986	0.7
93.03429	0.5
95.01369	2.3
97.02957	5.4
99.00871	1.5
99.04454	0.5
101.02444	28.3
107.81361	0.5
109.02953	0.8
111.00880	0.8
111.04537	0.9
113.02453	13.9
119.03498	9.5
121.02928	0.8
125.02442	12.8
127.04031	0.6
131.03490	1.2
133.05051	0.6
135.04515	0.8
137.02516	0.8
139.04010	0.7
141.01910	0.6
141.09172	0.7
143.03491	4.8
149.04544	0.8
161.04536	6.7
167.03520	1.0
169.04999	0.6
179.05608	5.7
203.05704	0.6
214.75670	0.5
217.07085	0.7
221.06671	2.4
233.19101	1.5
235.08205	13.3
245.06767	0.6
251.20143	100.0
252.20482	4.5
253.09206	3.6
263.07767	1.4
277.09323	1.2
287.07657	3.0
305.08661	2.9
323.09940	1.4
354.11505	0.5
379.12302	0.9
397.13486	62.6
398.13806	3.8
415.14532	28.1
416.15048	1.4
487.34323	17.5
488.34619	1.7
649.30908	0.5
649.39642	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	649.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	5.2
61.98806	3.7
69.68660	8.0
71.01357	2.0
82.02977	5.2
84.02579	1.3
96.66623	1.2
96.96035	1.4
101.02402	1.6
102.32924	1.1
120.04531	4.0
122.06111	2.9
147.03247	3.1
148.04057	20.9
149.04828	7.8
150.05617	25.6
150.09233	8.4
154.05070	2.9
156.76981	1.5
160.04033	5.8
161.04842	12.4
162.05644	1.4
163.02785	1.6
164.03539	12.2
173.03549	8.3
173.04836	2.3
174.04350	28.2
174.05704	2.2
175.02762	3.2
175.05061	5.6
176.03419	1.7
186.05582	5.4
187.06354	1.3
189.06705	14.4
190.07477	28.6
191.05876	1.8
191.08119	4.2
194.04562	13.6
199.07616	2.8
200.07059	7.6
201.07959	18.2
202.07204	3.8
202.08694	6.5
203.05896	1.3
203.08130	1.9
205.06172	1.7
213.10210	1.6
214.05118	1.6
214.08804	2.4
214.11028	3.0
215.08247	3.1
216.05251	2.4
217.09845	1.6
224.07265	2.8
227.50316	1.3
228.06628	9.2
231.07762	14.5
232.06223	2.4
232.08531	38.0
233.09177	6.4
234.07704	1.7
241.09697	2.0
242.08263	11.3
242.10448	2.1
243.07655	6.3
243.08910	9.9
244.06000	3.0
244.08578	18.4
245.06877	11.0
245.09216	6.6
246.07674	8.9
262.09576	1.6
268.05917	1.5
268.08542	3.8
285.08740	4.2
286.07053	4.6
286.09799	10.9
287.07733	8.4
287.10660	2.6
288.08646	3.0
299.14029	9.2
303.09836	2.4
304.10666	2.2
324.13583	7.0
325.11792	8.6
330.08450	2.3
375.16983	1.8
382.17709	27.1
393.18250	7.8
394.17850	10.2
395.15909	8.9
408.15503	6.4
412.18771	2.6
418.17502	5.1
418.70309	1.6
436.13113	2.2
436.18790	42.6
436.24738	2.0
437.11081	1.8
437.17181	60.1
438.17178	6.1
454.19812	100.0
455.20105	5.9
480.17630	8.9
499.16132	15.0
500.16418	1.8
501.17709	3.0
508.75143	1.6
536.22266	1.4
545.29749	2.9
577.22791	2.1
615.69482	1.5
621.66412	1.3
631.24133	4.5
649.08374	1.5
649.25153	31.4
649.35931	1.1
650.25116	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	649.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78362	1.3
57.54947	1.4
59.01110	1.3
59.01368	8.5
61.98822	4.6
69.49452	9.6
71.01380	4.2
82.02982	4.3
86.25541	1.2
89.02435	1.9
95.04987	1.4
96.04494	1.6
96.96010	2.2
98.20629	2.3
101.02384	2.1
104.91703	1.5
112.98565	2.5
115.00371	2.2
115.76511	1.2
118.70435	1.2
120.04543	3.4
121.04037	2.2
122.06109	3.2
133.01358	1.8
135.04449	1.6
136.04047	1.4
147.03268	3.9
148.04042	27.2
149.04845	8.3
150.05612	23.3
150.09221	9.9
154.05086	2.9
160.04042	3.7
161.04802	10.2
162.05574	1.9
163.02673	2.5
164.03545	11.8
168.06735	1.7
173.03517	8.8
174.04333	26.8
174.05672	1.9
175.02753	3.2
175.05089	6.3
186.05571	4.8
187.06398	1.4
189.06703	13.3
190.05026	2.2
190.05554	1.8
190.07481	27.8
191.08138	2.7
194.04556	15.0
194.96742	1.3
196.43936	1.3
199.07599	3.2
200.07054	8.0
201.07939	17.6
202.07132	2.3
202.08983	9.1
203.05881	2.3
213.06796	1.4
214.08725	1.6
214.11078	2.4
215.05873	1.5
215.08203	1.7
215.11569	1.3
217.09846	3.5
224.07135	3.5
225.07849	2.4
228.06819	6.9
231.07724	15.9
232.06190	2.1
232.08534	35.7
233.09157	4.7
241.09888	2.6
242.08275	14.7
242.10503	2.5
243.08899	9.1
244.08557	18.4
245.06871	8.2
245.09229	5.6
246.07663	6.8
262.09521	2.8
267.07617	1.8
268.08505	2.9
285.08792	4.5
286.07019	4.1
286.09625	9.0
287.07846	5.0
287.10571	2.9
288.08780	2.4
299.13989	12.1
303.09692	2.5
304.10660	1.8
324.13388	8.1
325.11761	8.8
353.14783	2.2
375.17157	2.8
382.17758	29.2
383.18158	1.7
393.18222	8.4
394.17767	9.7
395.16208	8.3
408.15598	3.8
412.18991	3.2
418.17755	5.0
436.18756	41.0
436.24744	2.2
437.17160	61.8
438.17227	3.8
454.19821	100.0
455.20102	7.7
462.16629	1.6
480.17618	9.1
481.14200	1.5
499.16016	12.8
501.17999	2.6
545.29248	2.3
560.31000	1.5
607.23572	1.5
631.23981	4.7
649.25110	36.2
649.34900	1.6
650.24933	1.7
650.34131	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	648.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97562	27.1
59.01380	12.1
61.98815	1.0
64.47146	0.6
69.95292	2.9
71.01381	4.3
72.40975	0.6
73.02937	1.5
79.95739	17.2
80.96510	8.1
85.02935	1.6
87.00876	1.6
95.95201	1.0
96.96011	100.0
98.20035	0.6
99.00883	0.8
100.14262	0.6
101.02413	1.2
110.32588	0.6
111.00884	1.1
113.02438	1.2
122.97583	1.5
125.02436	0.7
129.01910	0.6
137.96330	0.7
138.97060	6.9
150.97070	3.5
166.96463	0.7
222.99217	1.4
231.85132	0.7
238.98761	1.0
241.00255	11.7
256.99789	2.0
276.34048	0.7
280.99750	1.6
283.01266	19.0
284.01535	1.1
295.04968	3.2
299.00708	4.0
313.02313	1.1
313.05988	22.8
314.06171	0.9
342.08551	2.7
354.03299	0.8
355.07019	70.0
356.07339	4.5
372.04269	2.4
384.09689	6.8
397.13022	3.7
398.07617	1.5
399.05923	2.3
414.05344	8.9
439.13959	8.9
458.04391	2.1
483.13165	1.2
497.52002	0.7
562.15399	6.5
604.16388	64.8
605.16388	5.2
648.15363	36.0
649.15735	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	647.328
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83096	0.4
55.01865	1.9
57.03444	1.4
58.00579	2.2
59.01378	54.7
61.98798	0.5
67.01907	0.5
69.03448	2.4
70.43491	1.6
71.01379	37.9
72.99306	3.3
73.02940	7.2
75.00870	1.2
81.03452	2.0
83.01391	4.9
83.05037	0.8
85.02946	9.9
87.00875	11.2
87.04521	0.6
89.02443	39.7
91.04017	1.0
94.34023	0.4
95.01397	2.8
95.05018	0.5
97.02953	8.2
99.00893	2.4
101.02441	35.9
103.04005	0.9
109.02905	0.6
111.00859	0.7
111.04508	0.9
113.02445	16.7
115.04038	1.1
119.03505	11.2
119.85336	0.4
121.02971	0.8
125.02445	16.0
131.03511	1.8
133.05055	1.5
137.02425	0.6
139.04019	1.0
141.01945	1.0
143.03503	6.6
149.04515	1.1
161.04558	9.8
167.03514	0.9
177.16512	0.4
179.05598	7.3
185.04521	0.7
199.06157	0.7
205.19659	0.9
217.07089	0.9
219.05055	0.7
221.06636	2.6
231.17601	1.0
235.08209	17.2
236.08554	0.4
245.06715	0.8
247.16852	0.5
249.18576	100.0
250.18929	6.4
253.09248	5.5
263.07748	2.1
277.09326	1.1
287.07733	3.8
305.08740	4.2
323.09790	1.5
361.11423	1.1
379.12421	1.3
394.16608	0.4
397.13483	79.5
398.13773	5.1
415.14557	34.7
416.14899	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.8
57.03438	1.3
57.97551	0.5
58.00580	2.4
59.01379	49.7
61.98822	1.6
67.01880	0.5
68.34991	0.4
68.99818	0.6
69.03470	3.0
70.84180	0.9
71.01382	44.5
72.01739	0.4
72.99308	2.7
73.02943	8.0
75.00862	1.1
81.03452	2.1
83.01398	5.4
83.05019	1.2
85.02950	8.7
87.00876	10.1
87.04513	0.7
89.02443	39.2
91.04010	0.8
93.07152	0.5
95.01392	2.9
96.58191	0.4
96.95997	0.7
97.02946	7.2
97.06599	0.4
99.00880	2.8
99.04546	0.5
101.02442	38.0
102.02734	0.5
103.03980	0.7
109.02948	0.4
111.00870	0.5
111.04517	1.0
113.02454	17.8
113.93862	0.4
115.04023	0.7
115.36577	0.4
119.03506	12.0
121.02978	0.9
123.04544	0.7
124.01658	0.6
125.02450	14.3
127.03999	0.5
131.03467	1.7
133.05084	1.3
135.04535	0.6
137.02446	0.6
139.04002	1.2
139.07651	10.0
140.25732	0.4
141.01901	0.6
143.03522	6.8
149.04538	1.4
161.04547	10.2
167.03499	0.6
169.05049	0.6
170.03934	1.1
179.03387	0.6
179.04047	0.7
179.05592	6.2
185.04601	0.8
199.06042	0.5
199.25311	0.5
203.05652	0.8
205.19524	1.4
217.07129	1.5
221.06535	2.2
231.17534	0.8
235.08229	18.4
245.06606	1.1
247.07848	1.3
249.18582	100.0
250.18933	6.1
253.09264	4.9
260.92496	0.4
263.07767	2.2
277.09433	1.0
287.07651	4.3
302.13837	0.4
305.08752	3.0
323.09875	1.8
361.11487	0.7
379.12674	1.4
397.13492	81.8
398.13824	4.4
402.98703	0.5
415.14551	38.6
416.14786	2.2
466.77490	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.6
61.64622	0.7
61.98820	2.7
69.30077	3.1
69.30508	2.7
85.02942	1.5
91.05541	0.9
97.06585	5.7
107.05019	1.7
134.03740	0.8
135.04529	33.0
148.05324	5.2
149.05989	1.2
149.09697	0.6
151.07642	1.9
158.03703	1.0
159.04521	5.8
160.05292	1.1
161.06076	4.6
161.09685	1.0
163.07632	0.9
163.11263	1.1
166.02080	0.6
173.06058	3.0
174.06877	1.1
175.04050	0.9
176.04732	4.2
177.09212	13.6
179.03510	1.6
185.06020	1.1
186.06779	1.8
187.07651	6.5
188.04788	1.3
189.05536	1.4
189.09203	12.3
193.21425	0.7
204.07906	4.7
205.08705	8.3
205.12148	1.0
215.10751	10.0
217.08734	2.0
231.10219	1.0
233.11824	17.9
248.06944	1.0
257.32950	0.7
259.09787	0.9
277.10803	100.0
278.11063	6.5
321.09769	11.3
322.10239	0.9
386.29208	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	15.9
61.98827	5.2
71.01379	6.0
73.23261	2.1
85.02943	2.2
89.02405	2.5
101.02438	2.8
113.02404	2.9
117.54766	2.1
122.06100	2.1
133.01445	2.7
134.06110	2.9
136.07677	26.0
161.07234	15.5
162.05589	4.1
166.08710	3.9
173.07158	11.7
174.07916	2.3
177.01953	2.0
187.08746	4.8
189.10266	9.2
190.08842	2.1
199.08751	5.2
212.09476	3.4
213.06731	13.0
213.10283	20.7
214.07692	4.2
214.11140	11.3
215.08250	90.8
215.11797	6.0
216.08588	3.8
225.06680	2.8
225.10297	2.4
226.07487	6.5
227.08214	3.3
228.09045	2.0
233.09311	7.6
239.08252	19.0
240.09016	10.4
241.09825	46.7
242.10460	8.1
243.11206	1.9
259.10693	2.6
266.06818	2.0
267.05112	3.5
267.07748	48.3
268.08487	44.6
269.09372	15.6
273.12463	7.2
285.08783	17.9
286.09604	17.3
299.10379	66.0
300.10748	3.2
317.11383	12.1
334.15652	2.9
353.10266	4.2
360.17273	3.9
362.18661	3.9
383.14948	5.1
388.16708	20.8
390.18219	3.9
399.23837	5.0
406.17691	12.7
416.16238	4.4
434.17188	100.0
435.17273	6.4
452.18179	26.1
466.19797	52.8
467.20255	2.5
484.20847	69.7
485.21335	9.4
486.06439	2.0
615.24573	4.0
647.27185	91.4
647.36353	4.4
648.27484	9.9
651.10773	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	641.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	5.2
59.01375	1.7
67.01897	0.6
69.30012	0.9
69.30416	3.8
71.01408	0.7
83.01382	0.5
83.48143	0.5
85.02955	8.4
87.00890	2.2
93.03458	3.9
99.04575	0.6
109.02962	2.7
111.04507	1.5
123.04551	0.8
125.02451	34.6
126.02826	0.6
127.04012	2.0
133.02980	1.5
135.04550	2.0
137.02454	1.2
145.02914	1.0
149.02458	0.8
150.03262	1.3
161.02449	9.5
164.01219	0.5
165.01868	0.7
173.04532	2.4
173.06084	0.6
174.06775	0.5
175.04018	0.8
177.01991	1.4
179.03452	0.9
185.06084	0.7
187.04048	1.0
189.01958	0.6
191.05611	100.0
192.05913	2.5
199.03996	0.6
201.05557	0.7
202.99918	0.6
209.05840	0.5
212.04831	0.5
225.05562	1.5
227.03481	1.2
229.05116	1.4
231.10234	0.5
241.05063	1.1
253.05031	1.6
269.04507	1.9
270.01004	0.5
271.06088	1.0
279.03009	1.6
279.06055	0.5
281.04617	0.6
283.06110	0.5
287.05554	4.2
289.14026	0.5
297.04053	25.4
298.04547	2.1
299.05469	0.5
309.04129	0.6
323.05609	1.4
325.03717	0.7
327.05054	0.7
353.08746	8.0
363.07312	0.5
388.32242	0.4
405.09467	0.6
423.10873	1.5
449.08704	6.9
489.10315	0.8
513.26355	0.5
641.15118	28.6
642.15582	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	641.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	2.0
61.98834	9.8
66.97128	1.3
70.35027	4.0
78.95911	1.7
90.88000	1.3
132.02185	1.5
133.02962	22.5
134.03735	10.2
135.04532	55.1
136.04872	1.7
137.02425	5.3
139.03993	2.4
161.02440	69.9
162.02779	2.6
170.84238	1.4
178.02768	2.2
179.03499	23.0
211.13353	1.9
254.05791	1.7
422.39288	1.9
461.28973	8.6
479.30099	42.1
480.30347	4.4
641.33203	100.0
642.33740	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	641.333
Annotation	12beta-acetoxyhuratoxin
Peak:m/z	Relative Intensity
59.01402	0.3
61.98822	1.4
62.10293	0.3
76.37261	0.3
89.04021	0.5
93.03465	0.4
98.19951	0.9
105.03490	0.3
106.04239	0.9
107.05015	0.6
109.02938	0.3
117.03452	0.6
121.02949	1.2
132.02191	1.4
133.02957	28.1
134.03755	12.5
135.04526	58.8
136.04840	1.3
137.02451	6.4
139.04021	2.3
150.03230	0.7
161.02440	71.3
162.02786	2.1
178.02708	2.2
179.03497	23.0
180.03844	0.6
210.11769	0.3
228.97206	0.4
247.75281	0.4
397.17850	0.3
402.29785	0.4
441.49112	0.3
461.29028	9.3
462.29578	1.0
479.30121	42.0
480.30405	3.6
641.33289	100.0
642.33600	13.1
655.16089	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.0376
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	93.7
60.01722	1.0
61.98818	3.4
63.39220	0.7
69.32209	5.5
75.00417	0.7
90.97137	1.4
91.91441	0.6
111.40070	0.6
111.76496	0.6
132.98216	1.7
157.03549	5.0
159.01402	0.9
174.99237	23.9
175.99602	0.7
176.98138	7.1
177.19398	0.6
177.98242	0.6
179.85753	0.6
201.02547	60.7
202.02747	2.5
215.04045	0.7
217.00284	100.0
218.00699	2.7
219.97748	1.6
244.01939	0.6
304.14496	0.5
343.03659	16.4
344.03885	1.6
359.01450	80.3
360.01764	4.1
501.02603	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	640.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.4
61.98830	100.0
71.57507	0.4
78.95906	0.7
81.03439	0.5
83.05045	1.4
96.96023	0.5
98.19942	0.8
110.54076	0.5
158.71634	0.4
163.04068	0.4
171.10278	0.9
256.44669	0.4
277.21835	1.0
309.21716	0.4
364.54562	0.4
441.40225	0.4
605.30878	0.5
641.35986	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.3702
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58489	0.6
55.02988	0.6
59.49105	0.6
61.98832	100.0
70.78545	1.7
79.90668	0.6
99.00509	0.7
114.55492	0.8
129.97073	0.6
141.67746	0.6
153.98480	0.6
179.10863	0.9
197.11900	1.6
279.23349	1.7
311.22742	0.7
364.22183	0.7
577.37402	5.6
578.38043	0.9
646.41724	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77145	0.5
57.03451	5.9
57.44829	0.6
59.01380	3.5
71.01355	2.2
71.51272	1.2
71.51615	0.7
77.11996	0.5
81.03473	1.0
83.01380	0.8
85.02947	9.5
87.00862	2.4
93.03451	5.5
96.96008	1.4
99.00862	1.6
101.02435	0.7
109.02983	2.7
111.04498	1.4
119.05051	1.2
121.02962	1.0
124.01668	0.6
125.02447	44.8
126.02688	0.6
127.03974	1.7
133.01421	1.3
133.02957	1.3
133.27979	0.5
135.04526	2.0
137.02408	3.4
145.02945	1.7
149.02425	1.9
150.03194	1.1
151.04019	0.9
159.04495	1.0
161.02452	7.2
163.00395	0.8
164.01134	2.0
165.01910	1.8
166.02686	3.1
171.02924	0.7
173.04543	2.3
175.04037	0.9
177.01923	19.9
179.03355	0.6
181.12367	1.5
183.04491	0.7
187.04062	0.8
189.01981	0.9
191.05606	100.0
192.05972	3.0
193.06540	1.4
197.05936	0.9
202.99957	1.1
207.10297	1.0
209.06111	0.9
213.05653	0.7
215.07150	0.7
225.05582	1.1
225.11336	2.3
227.03342	0.7
229.05035	1.6
237.05492	0.7
241.05014	0.6
243.12349	2.6
245.09229	0.8
253.05112	1.8
255.06648	0.6
262.95261	0.6
267.06601	2.0
268.06589	0.7
269.04584	1.8
277.10782	0.9
279.03143	0.8
279.06573	1.4
281.04532	26.1
282.05127	2.3
283.06097	2.5
284.06851	0.8
285.07520	0.7
287.05597	1.7
295.05942	0.6
297.04053	17.7
298.04498	1.5
299.71182	0.6
303.05246	1.3
305.14966	0.7
309.04013	2.3
310.04706	0.7
323.05579	2.0
353.08783	4.4
405.09894	1.2
423.10843	2.6
449.08716	14.7
450.09592	0.8
473.11023	1.0
641.15332	39.5
641.26514	8.6
642.15594	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.5
62.41173	0.4
68.41744	0.4
72.27339	0.4
85.13958	0.4
91.05557	0.4
100.78149	0.4
105.03403	0.4
106.04242	1.0
107.05007	0.9
113.09801	0.4
117.03410	0.7
119.77882	0.4
121.02944	1.2
132.02158	1.4
133.01915	0.8
133.02957	27.8
134.03767	9.6
135.04524	53.9
136.04857	1.4
137.02443	5.9
138.02809	0.4
139.04019	1.6
150.03267	0.7
161.02438	75.5
162.02774	2.6
178.02701	2.8
179.03502	24.2
180.03828	0.8
412.68942	0.4
459.27484	10.0
460.28027	0.6
477.28552	45.2
478.28851	3.7
521.72180	0.4
639.31689	100.0
640.21222	0.6
640.32001	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	639.3762
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.9
61.98830	0.4
69.03420	0.2
71.01382	2.1
71.36057	0.3
73.02959	0.5
75.57961	0.2
78.95910	0.6
83.24831	0.2
85.02945	0.4
87.00893	0.3
89.02439	1.2
91.01784	0.2
101.02448	1.7
113.02441	1.0
119.03546	0.5
125.06115	0.4
125.09732	0.8
127.11292	1.8
143.03482	0.2
143.07080	0.9
152.90248	0.2
152.99632	0.3
153.09192	0.4
161.04526	0.6
171.10263	100.0
172.10594	2.7
177.16452	0.2
179.05608	0.3
205.19496	0.3
231.17633	0.4
235.08212	1.2
247.16907	0.2
249.18575	43.1
250.18820	2.2
253.09280	5.0
253.21686	0.3
255.23141	0.9
265.20239	0.2
277.21753	1.1
341.11099	0.4
407.19327	0.9
467.21985	0.2
485.27902	0.3
557.10400	0.2
579.33173	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.23
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	29.3
71.01373	11.2
71.51971	1.1
72.01711	1.1
72.99327	1.2
89.02456	1.6
115.00371	27.9
116.00733	4.3
118.17639	1.0
119.05035	23.2
120.05360	6.8
121.02972	1.7
122.03728	1.6
123.04536	1.5
125.02458	1.1
133.01430	100.0
134.01764	14.1
134.03728	3.2
135.01822	1.5
135.04578	7.8
136.04987	1.9
146.03741	3.3
149.02443	12.0
150.03238	15.5
151.04024	2.8
153.84523	0.9
161.02429	2.7
161.10817	1.0
162.02855	1.8
163.04010	31.4
164.04396	13.7
165.05583	17.3
166.05994	1.0
178.05043	6.0
179.05574	2.0
179.07138	4.4
181.04976	1.9
193.05031	3.7
193.06662	1.0
194.05409	1.7
195.06648	19.0
216.93951	0.8
222.04135	4.6
223.04433	1.7
279.05051	3.8
280.05402	2.4
297.11160	1.3
311.09268	1.8
312.10004	5.7
314.45944	1.0
327.12314	18.3
328.12659	1.5
343.11801	9.5
358.09161	6.2
359.09692	10.4
369.13358	9.1
375.14484	5.9
391.13837	14.0
392.14172	1.6
417.15759	2.3
535.31311	2.4
595.19904	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	8.6
67.07238	1.2
69.03708	1.4
69.75048	7.2
69.98566	1.1
70.29628	1.4
71.01389	4.0
73.02945	2.9
93.03431	1.5
98.19986	2.5
101.02441	4.1
119.04997	1.7
121.02953	8.6
122.03751	4.7
123.04545	4.1
133.02916	3.2
134.03761	2.0
135.04539	4.8
136.05321	14.9
137.06049	1.8
149.02434	24.0
149.06105	2.9
150.03229	45.7
151.04021	11.6
151.07625	2.6
164.04756	7.7
165.05574	34.4
175.59213	1.7
181.05078	5.3
191.05586	3.3
195.06648	31.6
197.11900	1.9
246.28355	1.4
251.06836	1.4
283.09750	6.5
284.10535	1.8
285.04080	1.6
310.08063	1.7
311.09256	9.7
325.11029	3.4
327.85034	1.3
343.11856	74.1
344.12134	3.3
367.11877	4.8
385.12997	3.6
391.13971	100.0
392.14401	7.0
521.77911	1.4
535.31213	2.1
595.33051	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	639.193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16433	1.3
59.01377	11.6
61.10131	1.5
67.08697	1.4
69.69355	1.4
70.58853	4.5
78.38374	1.5
121.02969	9.5
122.03708	4.6
123.04570	7.2
133.02945	4.3
134.03732	2.5
135.04500	4.4
136.05309	18.6
137.06062	2.0
149.02423	17.3
149.06039	2.8
150.03233	60.4
151.04013	21.7
151.07648	3.1
162.03264	1.6
164.04770	4.7
165.05573	34.2
180.04311	1.9
180.26891	1.6
181.05083	9.1
195.06616	42.4
255.29387	1.6
283.09668	6.3
284.10318	2.4
297.11292	2.4
299.09265	1.4
311.09341	10.3
343.11829	88.7
344.12054	5.3
347.67896	1.8
349.61557	1.6
367.11826	3.0
385.12869	1.8
391.13977	100.0
392.14423	5.1
595.20276	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	639.193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	21.5
61.37268	1.7
65.65905	1.5
66.16708	1.7
66.92142	1.7
69.41908	13.1
71.01380	6.2
73.02934	4.4
77.16819	1.5
85.02957	2.3
96.96000	1.7
101.02448	4.1
108.02163	2.3
113.02444	2.7
116.92780	2.0
119.05014	1.9
121.02933	7.9
122.03722	4.6
123.04508	4.3
125.02480	2.4
130.63365	1.7
133.01398	3.9
133.02942	3.4
134.03716	2.6
135.04494	7.1
136.05312	15.6
137.06065	2.6
141.33467	1.8
149.02458	25.4
149.06041	2.0
150.03232	63.5
151.04019	14.6
151.07585	2.9
163.03955	1.7
164.04840	8.3
165.05580	34.9
179.03606	1.9
181.05031	5.1
191.05637	6.4
195.06625	42.5
200.57997	1.9
209.04459	1.7
221.25986	1.6
269.08286	2.3
283.09756	5.8
311.09229	12.1
325.10806	2.7
327.12219	2.3
334.25238	1.7
343.11862	72.8
344.12344	4.0
357.13745	1.7
367.11728	5.5
391.13983	100.0
392.14264	7.9
535.31110	4.0
639.25104	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	637.3955
Annotation	Filipin II
Peak:m/z	Relative Intensity
51.58187	0.4
55.01876	0.5
59.01380	14.5
61.98595	0.5
61.98832	5.7
70.42783	1.0
70.43156	0.9
71.01381	5.8
73.02937	2.1
79.05187	0.4
83.01382	1.7
85.02947	3.3
87.00880	0.5
88.98742	0.7
95.01413	0.5
99.00870	1.0
99.89810	0.4
101.02437	4.4
101.03802	0.4
104.02702	0.5
113.02457	1.6
116.12883	0.4
116.92859	0.5
133.01413	0.5
133.02956	0.8
135.04539	1.3
148.01610	0.6
152.34656	0.4
177.01974	0.6
220.00082	2.8
220.44704	0.5
221.00769	0.8
335.16290	0.5
403.32297	1.4
415.32098	5.7
433.33267	7.2
559.36212	2.5
577.37616	5.4
595.38519	3.4
619.30634	1.2
619.39154	4.2
625.93518	0.5
637.39563	100.0
638.39886	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	638.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
58.47630	0.4
59.01368	1.8
60.33125	0.4
65.40636	0.4
67.50351	0.4
69.24195	0.7
69.24601	3.0
71.01382	9.7
72.00935	0.4
72.99310	1.6
89.02441	1.2
100.00426	0.6
115.00375	29.4
116.51519	0.4
119.05035	23.6
120.05403	0.7
123.04563	0.6
124.88385	0.4
131.12489	0.4
131.94002	0.4
133.01431	100.0
134.01758	1.7
134.03787	2.7
135.04552	7.6
137.02449	0.6
137.24933	0.4
149.02444	1.3
149.06134	0.7
150.03241	2.4
151.03932	0.6
160.04007	1.2
161.02441	3.3
163.04015	33.5
164.04521	1.0
165.05551	1.7
166.05898	0.6
178.02692	1.4
178.05087	5.8
179.03291	0.7
193.05045	4.6
194.05432	2.1
195.06602	1.1
205.94263	0.4
222.04034	5.1
279.05078	6.5
327.12366	1.1
341.10220	0.5
342.10770	1.5
358.04910	0.8
358.09326	11.9
359.09445	1.1
389.12030	0.6
390.12799	2.0
391.13727	0.7
405.31195	0.4
594.18835	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.7
57.35472	0.6
59.01382	7.1
61.98828	1.4
71.01369	2.6
73.02934	2.0
74.09706	0.6
83.55439	0.6
85.02981	0.6
87.04511	1.7
87.54781	0.6
89.06553	0.6
96.95985	1.1
97.06571	1.3
98.87172	0.5
101.02435	2.1
107.05084	0.7
109.06560	3.1
111.04567	0.6
123.08118	2.9
127.79361	0.6
133.01448	1.3
133.02885	0.6
135.08156	3.0
137.02585	0.8
138.06860	1.4
139.11256	1.0
153.09195	7.6
155.10805	1.0
161.07076	0.6
163.58319	0.6
164.09938	0.6
171.10297	1.1
183.13768	0.6
197.15565	0.8
277.57758	0.6
282.92523	0.6
295.23273	0.6
319.18625	0.6
359.24408	4.2
371.24341	6.2
378.90533	0.6
389.25433	100.0
390.25681	6.6
473.20746	0.9
474.20212	0.9
526.98096	0.7
528.44623	0.7
551.30896	0.7
580.57764	0.7
593.31610	6.3
594.32544	0.9
627.30725	0.7
637.35754	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73556	3.5
52.39667	2.9
59.01387	34.5
61.98831	11.6
71.01365	24.2
74.17418	3.6
74.31516	3.4
78.95891	5.5
80.59433	3.2
87.00837	4.3
89.02446	40.1
101.02444	14.8
113.02477	16.5
119.03502	10.3
135.04533	11.8
141.01645	3.2
143.03610	4.6
152.99564	4.2
161.02434	12.2
161.04539	3.6
179.05629	11.3
205.77173	3.7
253.21817	5.7
274.82703	3.2
323.09808	4.5
341.10901	100.0
342.11307	4.6
475.26944	5.9
524.37390	3.4
563.66986	3.5
637.30511	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11457	0.7
93.03452	0.8
93.61045	0.6
98.20712	1.1
101.72402	0.7
105.43559	0.7
106.04224	0.8
107.05075	1.0
117.03495	0.9
121.02921	1.2
132.02153	1.2
133.01915	1.3
133.02959	32.2
134.03752	12.1
135.04532	62.4
136.04854	1.8
137.02449	7.6
139.04007	1.3
144.26314	0.6
146.80345	0.6
149.87206	0.6
161.02446	87.9
162.02759	2.8
178.02705	2.7
179.03497	28.6
180.03778	1.2
357.37335	0.6
431.27277	0.6
457.26013	10.2
468.41092	0.7
475.26990	47.7
476.27316	6.4
602.34644	0.7
637.30200	100.0
638.30469	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	637.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.7
57.35472	0.6
59.01382	7.1
61.98828	1.4
71.01369	2.6
73.02934	2.0
74.09706	0.6
83.55439	0.6
85.02981	0.6
87.04511	1.7
87.54781	0.6
89.06553	0.6
96.95985	1.1
97.06571	1.3
98.87172	0.5
101.02435	2.1
107.05084	0.7
109.06560	3.1
111.04567	0.6
123.08118	2.9
127.79361	0.6
133.01448	1.3
133.02885	0.6
135.08156	3.0
137.02585	0.8
138.06860	1.4
139.11256	1.0
153.09195	7.6
155.10805	1.0
161.07076	0.6
163.58319	0.6
164.09938	0.6
171.10297	1.1
183.13768	0.6
197.15565	0.8
277.57758	0.6
282.92523	0.6
295.23273	0.6
319.18625	0.6
359.24408	4.2
371.24341	6.2
378.90533	0.6
389.25433	100.0
390.25681	6.6
473.20746	0.9
474.20212	0.9
526.98096	0.7
528.44623	0.7
551.30896	0.7
580.57764	0.7
593.31610	6.3
594.32544	0.9
627.30725	0.7
637.35754	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
66.31776	1.1
71.01382	4.3
71.18616	1.1
71.18950	2.4
71.40260	1.0
71.86257	1.0
87.17960	1.1
87.82719	1.2
93.03466	1.4
98.99404	1.1
115.00394	10.6
119.05008	7.2
121.02966	8.5
122.03717	3.6
123.04542	1.4
133.01434	28.6
133.02907	2.3
133.24382	1.3
134.03755	55.3
135.04538	3.3
137.02444	7.1
139.03964	2.7
149.02457	15.1
149.06084	15.3
150.03238	31.1
151.03963	2.5
161.02402	1.1
163.04059	8.0
164.04837	1.5
165.05576	32.6
178.02711	32.0
178.05113	2.4
179.03029	1.2
180.04358	1.5
181.05077	2.1
193.05055	100.0
194.05353	3.8
195.06619	21.6
222.04112	1.6
241.60846	1.3
250.06299	1.7
269.15680	1.1
279.04999	1.7
282.08987	8.3
341.10275	33.3
358.09247	2.5
389.12445	33.6
390.12753	2.5
593.18524	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	637.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76289	2.8
66.39155	2.9
69.18027	30.5
69.18354	6.8
76.12518	2.8
119.01070	3.2
121.02972	4.8
122.03806	3.7
123.04559	6.3
133.02950	7.0
134.03741	77.0
135.04456	4.7
137.02434	7.8
149.02441	11.7
149.06062	18.5
150.03220	35.3
151.03993	23.6
160.01646	5.8
164.04637	2.9
165.05562	28.4
175.03906	5.4
178.02696	42.8
180.58456	2.7
181.05052	22.0
193.05055	100.0
193.06813	4.8
195.06615	14.5
201.11993	2.7
235.06108	7.3
267.06802	2.9
282.09076	6.6
341.10236	24.0
389.12424	81.3
390.12848	8.3
593.18420	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
57.88896	0.5
59.01373	1.7
66.70914	0.5
69.74792	3.1
71.01382	10.1
72.99306	2.3
76.03636	0.5
82.88817	0.5
89.02466	2.2
107.05034	0.8
115.00382	27.9
118.52583	0.5
133.01440	100.0
134.01744	2.0
134.03746	1.6
135.04536	23.7
136.04782	0.6
179.03506	28.6
180.03795	1.1
205.37277	0.6
260.16400	0.5
279.06641	0.6
295.04684	6.4
295.10339	3.6
378.10004	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.4527
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34277	0.9
59.01382	100.0
60.65803	1.0
69.15582	2.2
69.15981	10.3
71.01376	2.0
79.96296	0.9
89.02446	3.4
98.19940	2.1
101.02478	1.2
113.02422	1.3
118.11137	1.1
119.03512	2.0
179.05678	1.1
199.08797	1.0
204.47443	1.0
217.02197	1.1
259.82318	1.1
387.07092	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22747	0.8
57.67817	0.8
57.97565	7.4
59.01109	1.4
59.01382	19.5
61.98831	9.9
63.99276	1.1
70.18347	1.0
71.01382	6.6
71.52640	1.5
73.02961	1.8
73.60410	0.9
79.95744	16.9
80.91803	0.9
80.96522	6.5
84.76696	0.8
85.02940	1.4
87.00870	1.3
96.96015	100.0
99.00872	1.6
101.02438	3.1
113.02456	1.5
115.00355	0.9
124.36649	0.8
133.01410	1.5
137.96283	1.7
138.97096	5.7
142.56299	0.9
150.97096	2.0
171.51535	0.9
174.04344	1.2
174.73991	0.9
176.01097	3.5
177.01807	1.6
190.07465	1.3
190.99786	1.6
192.00569	3.6
193.01082	1.2
222.99101	2.5
232.08409	1.1
233.08968	1.2
241.00262	8.7
243.16005	1.1
283.01321	12.5
295.04816	1.0
299.00787	2.1
312.07468	1.7
313.05948	7.5
324.13644	1.0
330.08640	32.6
355.06992	18.1
372.09665	67.5
373.09888	4.1
397.13174	5.1
398.07568	3.4
399.06378	1.4
414.05453	7.9
416.08661	62.1
417.08942	2.9
431.11435	2.9
439.13828	20.0
458.04370	13.0
473.06052	2.1
473.12701	41.3
474.13049	2.2
483.12781	1.7
517.11670	32.3
518.11829	1.8
533.17767	1.4
592.15729	9.4
635.41266	1.9
636.15527	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	634.3807
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10206	0.4
54.10705	0.4
61.98831	100.0
69.61547	2.7
78.95903	6.5
90.83092	0.5
93.83000	0.4
96.96994	0.7
104.90153	0.5
110.98562	0.5
111.04552	0.5
123.08206	0.5
125.68255	0.4
144.76236	0.4
149.09731	1.3
152.99574	2.8
165.32957	0.4
167.01280	0.5
171.10294	2.1
193.08745	1.1
196.89421	1.2
217.06039	0.4
251.67130	0.5
255.23282	4.3
256.23871	0.7
399.14490	1.3
409.23279	0.5
590.44025	0.5
603.32849	0.5
617.35065	1.0
635.35077	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
70.71225	1.5
70.71581	1.1
71.01385	10.7
72.99314	2.1
78.95930	0.8
87.00881	0.7
89.02441	1.4
91.45030	0.8
96.96026	4.0
96.96957	1.3
105.03441	1.5
115.00380	30.0
133.01434	100.0
133.02858	5.7
134.01796	1.6
134.03751	1.7
135.04533	30.3
147.71860	0.7
162.18744	0.6
175.47998	0.7
177.01938	14.6
179.03499	29.1
180.03891	1.2
202.40187	0.7
295.04715	3.2
339.07196	4.6
341.09000	1.2
370.30270	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2513
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
55.37559	1.4
59.01373	1.7
61.98826	29.6
73.02940	1.6
73.70781	1.3
74.62361	1.3
78.95902	14.0
93.03461	1.3
138.87808	1.4
143.32480	1.3
149.09731	1.4
152.83495	1.2
152.99590	9.8
166.78148	1.3
171.10143	1.7
185.08200	1.9
188.82614	1.4
201.81914	1.5
240.72112	1.6
255.23291	14.8
304.75946	1.6
360.90286	1.7
391.22443	2.5
412.87164	1.7
419.18539	1.5
431.18872	2.0
445.16483	4.2
458.17520	2.3
464.98035	1.6
473.15729	3.1
474.17084	5.7
475.17661	3.1
488.18030	6.8
489.19370	5.0
490.20142	4.6
501.18954	2.4
505.22391	3.5
516.18127	2.6
560.21484	1.9
575.22955	14.4
576.23492	7.3
635.25122	100.0
635.34589	5.4
636.25366	14.6
660.12366	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.8
65.99845	1.3
69.68096	5.1
69.68496	2.2
82.02986	5.3
97.95338	1.0
98.16989	1.1
112.04026	2.1
120.04522	2.8
121.04041	1.1
122.06058	1.1
129.05545	1.4
136.07680	4.9
138.05560	1.5
147.03210	2.0
148.04044	21.4
149.04817	8.4
150.05603	25.5
154.05078	2.5
160.03987	2.7
161.04803	8.7
162.05547	4.1
163.02773	2.9
164.03558	6.1
166.08710	3.1
173.03566	12.1
173.04903	1.4
174.00606	0.9
174.04329	23.6
174.05663	1.9
175.05069	9.7
175.06360	3.7
177.06723	1.3
186.05615	1.4
187.06351	3.6
188.07181	2.2
189.06644	13.4
190.07469	26.3
191.08246	2.7
192.03055	1.3
200.07176	3.2
201.07858	4.1
202.07193	4.8
202.08955	1.8
203.06029	1.4
203.08185	1.8
213.10323	1.4
214.11081	2.7
215.08295	6.0
217.07434	2.8
217.09772	4.2
228.06601	3.0
231.07729	18.8
232.08519	35.3
233.09183	7.6
234.07573	1.1
241.09753	1.8
242.08177	3.8
242.10449	2.4
243.07718	4.5
243.11374	1.4
244.08139	10.6
245.06967	1.8
245.09064	5.3
246.07639	1.2
261.08728	1.6
262.09549	3.6
263.10126	1.0
267.07681	1.4
271.08475	1.3
285.08722	4.9
286.06754	1.6
286.09723	7.1
287.10406	1.4
289.09506	3.9
303.09747	3.5
304.10519	2.5
315.13431	11.1
340.13046	5.6
356.15933	1.0
369.14316	1.1
398.12024	2.0
398.17169	30.9
399.17355	2.4
409.17542	2.1
410.17133	6.7
428.18481	2.0
434.17242	4.2
452.18271	16.2
453.16559	7.1
467.16885	6.0
468.18124	1.2
470.19302	100.0
471.19675	8.1
503.19464	1.3
561.23267	4.6
573.23358	1.9
615.24615	5.1
633.25653	24.7
633.35980	1.5
634.25818	3.2
652.28381	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	69.8
60.01707	0.9
61.98830	100.0
63.43356	0.8
71.01373	4.0
73.02936	1.4
82.02991	1.1
83.01392	0.8
85.02955	1.3
89.02423	1.2
101.02464	1.8
107.68092	0.7
113.02463	2.7
115.00340	1.0
120.99650	2.2
135.04433	0.8
140.96082	0.7
148.04065	3.1
149.04793	1.4
150.05643	2.6
150.09323	0.8
160.04082	0.8
161.04752	1.5
162.05647	1.2
167.57539	0.7
170.82455	0.8
174.04393	2.4
175.04893	0.9
176.01176	1.5
176.05663	1.1
189.06757	1.0
190.07463	2.9
191.07941	1.7
192.00656	1.9
202.07434	1.1
204.06673	0.9
230.35860	0.8
231.07796	1.0
232.08470	3.7
233.08923	0.9
244.08499	1.6
274.09698	1.1
285.08633	0.7
286.09616	1.2
300.14423	1.0
383.18359	0.9
410.13538	0.7
424.18741	0.9
425.19150	0.9
437.18936	1.4
454.19864	2.4
455.20193	3.5
467.30075	15.9
467.36191	1.3
468.30719	1.4
479.20474	1.2
485.31110	6.0
486.32397	1.0
496.21127	1.7
497.21344	5.4
516.23334	1.3
527.32220	9.0
556.23029	2.8
565.56653	0.8
591.15057	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	633.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68019	0.9
55.54856	0.9
59.01378	1.3
69.39574	6.2
82.02982	5.7
85.23387	1.1
108.04575	1.6
112.04049	2.0
120.04545	3.8
122.06150	1.3
136.07652	2.9
147.03175	1.3
148.02928	1.8
148.04041	23.0
149.04793	8.6
150.04446	1.7
150.05603	25.4
154.05054	2.1
160.03989	2.3
161.04842	8.2
162.05566	1.8
163.02754	3.1
164.03560	7.2
166.08669	2.1
173.03542	12.8
173.04829	1.7
174.04317	23.2
174.05611	2.4
175.05038	8.2
175.06416	5.6
176.05779	1.5
186.05592	1.0
187.06349	4.4
188.07169	1.9
189.06665	12.4
190.05104	2.4
190.07460	28.6
190.09109	2.0
191.08163	2.4
199.07661	1.4
200.07147	3.0
201.07950	3.7
202.03719	1.1
202.07440	3.6
202.08972	2.0
203.08221	2.3
213.10316	1.8
214.11029	2.1
215.08286	5.4
216.06721	1.6
217.07436	3.0
217.09801	3.1
228.06673	2.5
231.07715	17.5
232.08514	33.0
233.09149	6.8
241.09686	1.7
242.08159	3.1
242.10452	2.2
243.07413	5.0
244.08136	9.7
245.06947	1.7
245.09296	4.6
259.10818	1.7
262.09470	3.1
267.07758	1.7
268.08594	2.5
279.11499	1.0
285.08832	3.2
286.09540	6.6
287.10345	2.3
289.09625	2.2
303.09912	2.3
304.10611	3.2
315.13586	8.8
340.12939	5.8
395.14932	1.5
398.17224	25.5
399.17441	1.9
409.17477	2.0
410.17264	7.8
428.18185	3.2
434.17215	4.1
449.15637	1.6
452.18280	14.8
453.16727	6.1
467.17328	5.6
467.22736	1.2
470.19278	100.0
471.19598	10.7
561.23590	4.4
615.24841	6.5
616.24463	1.4
633.25592	28.9
634.25879	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	633.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10122	0.7
56.93810	0.8
62.15105	1.1
65.99823	0.9
69.52506	4.7
69.52906	2.0
82.02991	5.4
98.20597	1.7
112.04050	1.4
113.31848	1.0
120.04540	2.0
122.06116	1.3
129.05559	1.1
136.07648	4.0
138.05573	1.1
147.03339	1.6
148.02951	1.6
148.04050	23.0
149.04810	7.7
150.05595	22.0
154.05078	3.7
160.04033	2.6
161.04791	9.4
161.07294	1.2
162.05577	2.1
163.02852	1.5
164.03560	6.9
166.08699	3.2
173.03552	11.3
173.04845	1.7
174.04329	21.9
174.05609	1.9
174.93674	0.9
175.05127	7.0
175.06367	4.9
176.05804	1.2
177.06425	1.1
186.05537	1.5
187.06320	2.5
188.07133	1.6
189.05237	1.6
189.06702	15.3
190.07460	24.8
191.08153	3.1
192.03094	1.2
199.07619	1.1
200.07156	2.7
201.07841	3.1
202.07390	3.6
202.08879	2.5
203.08009	1.0
213.06752	1.4
214.11104	2.8
215.08253	5.4
216.06674	1.3
217.07394	2.8
217.09747	3.0
224.07109	1.0
227.09517	1.7
228.06615	2.8
231.07716	18.4
232.08510	33.0
233.09207	8.3
241.09811	2.2
242.08142	3.3
242.10489	2.1
243.07402	4.9
244.08119	9.7
245.06894	1.9
245.09312	4.8
246.07657	2.2
259.10815	1.7
262.09543	2.8
268.08380	1.8
285.08676	4.9
286.09729	7.6
287.10394	1.1
288.08810	1.1
289.09515	3.4
301.83466	0.9
303.09866	5.2
304.10541	3.3
315.13486	10.8
337.10696	1.3
340.13043	5.3
369.14499	1.6
385.12781	0.9
395.14383	1.3
398.17154	27.2
399.17316	2.0
409.17532	2.1
410.17126	7.3
428.18225	4.0
434.17194	4.2
438.34427	1.0
449.15808	2.2
452.18256	12.8
452.56839	0.9
453.16547	5.7
454.16852	1.2
467.16809	7.7
468.17453	1.5
470.19302	100.0
471.19595	9.5
561.23401	3.6
591.24615	2.2
615.24628	5.4
633.25519	29.9
634.25891	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	633.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	4.0
61.17246	0.4
61.98828	6.8
62.00199	0.4
64.55744	0.5
70.63115	0.9
71.01393	0.8
73.83981	0.5
78.95897	0.8
85.02988	0.7
86.65858	0.5
117.25087	0.6
125.02364	0.6
132.06932	0.9
133.04102	0.7
136.07683	3.4
145.07733	2.9
146.04865	1.6
146.05981	0.6
147.09302	2.8
150.09215	1.1
159.05641	1.3
160.06392	2.4
162.05615	2.1
163.05107	1.2
164.07161	0.7
173.07169	1.4
175.08755	9.0
176.10765	1.2
178.12352	3.3
186.05658	1.3
188.05772	2.6
188.07335	1.1
189.06592	1.2
192.05414	0.9
201.06680	7.6
202.07185	0.6
203.08255	53.2
204.08800	3.4
204.10544	0.7
211.05296	0.5
213.04433	0.5
213.06625	0.7
215.04678	1.0
215.11783	0.9
222.11336	9.4
227.04549	0.9
228.05388	2.8
229.06161	100.0
230.04555	1.0
230.06613	5.2
231.07738	2.5
241.09773	1.5
247.07219	74.6
248.07780	4.3
257.09454	0.6
273.05280	0.6
280.50037	0.5
336.20679	0.8
338.22205	0.6
364.20273	2.3
372.17273	2.0
382.21313	0.7
390.18286	1.3
406.21939	0.6
408.19504	0.9
410.13544	61.4
411.14075	6.7
412.15128	1.3
452.18344	2.5
453.16794	0.7
470.19376	9.3
471.19635	1.0
482.42599	0.5
590.25031	0.9
633.25665	8.5
633.39374	1.3
634.26288	0.9
640.42505	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	42.0
59.97829	1.2
61.98830	100.0
70.66333	2.4
70.66656	1.6
71.01369	4.6
73.02941	2.2
73.05102	1.2
78.95902	2.5
83.00880	1.4
89.02438	2.2
96.95984	1.7
101.02481	1.4
109.03045	1.4
113.02434	2.7
197.00006	1.4
229.06099	3.1
258.06152	1.3
284.96616	1.4
321.24384	1.5
447.75266	1.8
459.84982	1.5
493.76401	1.4
589.27094	1.5
597.85242	1.3
633.40332	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	632.4015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.3
57.03444	2.3
58.00598	2.6
59.01381	100.0
60.01705	0.9
60.37178	0.7
61.98836	3.0
62.32787	0.7
69.03458	2.4
69.23322	7.1
70.02979	1.5
71.01383	80.7
72.01720	0.9
72.99306	4.3
73.02950	66.5
73.30447	0.7
74.58698	0.7
78.95891	1.5
79.35531	0.7
81.03470	1.2
83.01394	23.5
83.05036	2.8
85.02953	12.6
85.06600	1.9
87.00874	4.9
88.04066	2.2
89.02449	25.3
94.30691	0.7
95.01376	3.8
95.05095	0.7
97.02973	1.8
98.02503	1.2
99.00905	2.3
101.02444	66.6
108.08181	4.9
110.56361	0.8
113.02452	37.2
115.07628	1.3
117.01945	1.1
119.03510	12.0
125.02470	2.4
126.09248	8.2
128.10817	0.7
131.03477	5.2
138.09276	3.3
143.03505	7.2
149.04561	5.1
154.08728	0.8
155.03560	1.6
156.10345	2.7
161.04556	16.0
166.08777	2.2
179.05591	5.2
181.95143	0.7
184.09853	1.6
203.05659	0.9
221.06746	1.6
225.22237	18.7
245.08502	0.8
251.75041	0.7
253.21753	3.5
255.23433	1.2
270.24484	2.3
271.22794	20.6
272.23257	1.2
296.26041	7.1
304.61340	0.7
312.25583	1.2
324.25381	1.9
325.26187	1.0
346.05725	1.0
362.30692	0.9
380.31693	2.1
392.31573	7.3
410.32742	55.6
411.32910	4.3
414.77582	0.7
428.33768	18.9
429.34741	1.1
452.34134	1.3
459.54639	0.8
480.07544	0.9
572.38037	69.5
573.38434	6.8
590.39081	50.0
591.39520	6.7
632.40228	21.6
633.40790	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	632.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96347	0.6
54.02557	0.6
55.46423	0.5
56.97484	0.6
59.01377	79.2
60.01712	0.7
61.98829	100.0
67.77881	0.8
70.98748	1.3
71.01372	5.3
73.02934	1.9
83.01383	1.3
83.09529	0.5
85.02958	2.4
85.06599	1.1
89.02462	1.0
96.96026	0.7
99.00895	0.7
101.02434	3.2
113.02438	4.3
119.03518	0.6
133.01453	0.6
135.04587	0.8
161.04594	1.3
384.24713	1.1
465.28531	26.7
466.29156	1.7
483.29593	8.0
525.30695	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	632.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44416	0.6
57.94328	0.6
59.01069	1.0
59.01381	59.6
61.98831	100.0
69.45306	1.3
69.45724	3.2
70.32777	0.6
71.01379	4.6
72.01768	0.5
73.02940	1.3
74.12831	0.6
83.01424	0.8
85.02959	2.4
89.02465	1.9
95.01390	0.8
95.95375	0.6
96.96017	0.8
101.02441	3.3
113.02416	2.9
113.78952	0.7
119.03448	0.8
135.04526	1.2
161.04549	1.2
392.27231	0.7
397.12943	0.7
464.92303	0.7
465.28607	10.6
466.29095	0.8
469.21515	0.9
483.29901	3.9
491.16656	0.6
525.31171	2.1
569.50525	0.7
632.39990	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25045	0.6
57.03434	0.8
59.01379	59.2
60.01705	0.5
61.98830	100.0
69.22146	5.5
71.01386	3.5
73.02952	1.3
79.68432	0.5
83.01405	0.8
85.02960	1.6
101.02460	2.2
103.73727	0.6
109.99085	0.7
113.02469	1.8
120.99747	0.7
125.81519	0.6
135.04608	0.8
135.06464	0.5
139.68863	0.6
161.04538	0.6
204.42006	0.7
244.08540	0.6
454.19974	1.0
465.28467	9.6
483.29755	2.4
525.30634	5.4
526.31494	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23531	1.0
59.01070	1.8
59.01378	49.2
61.98829	100.0
71.01405	7.5
71.52480	2.1
73.02943	1.5
74.93993	1.0
79.13358	1.1
79.72757	1.1
89.02441	3.4
96.96028	1.7
101.02443	5.0
113.02441	3.1
115.00384	2.3
119.03469	1.7
133.01440	1.2
135.04547	2.3
157.98531	1.2
161.04585	2.8
170.18556	1.2
179.05582	1.7
229.06133	1.4
313.94678	1.3
351.43842	1.3
526.04291	1.3
632.25049	1.2
632.38373	2.0
633.25665	2.2
633.38745	1.4
657.04822	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.277
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	1.0
60.19391	0.6
61.98861	2.7
70.18501	2.2
71.01418	1.2
78.95932	0.8
90.21384	0.6
92.38596	0.6
92.55463	0.6
96.87759	0.5
97.06678	0.6
121.05346	1.0
122.09801	1.7
134.06131	3.4
135.06964	2.1
136.07687	14.0
136.08621	1.0
137.08076	0.6
138.05597	1.1
146.06209	0.8
148.07715	1.5
149.04881	1.5
149.08601	0.7
150.09244	69.2
151.09668	1.4
161.07211	10.3
161.08418	1.0
162.05626	4.3
162.07655	0.7
164.03490	4.8
164.07167	3.6
166.05130	1.6
167.05865	2.9
173.07216	6.1
173.10870	1.3
174.07939	0.7
176.10764	4.0
180.06723	0.8
181.07564	0.7
182.08313	1.0
187.08791	0.8
188.09625	0.8
189.10359	6.1
194.08174	3.1
199.08763	4.2
199.12473	0.8
200.09422	0.8
201.10394	0.6
204.10307	1.3
212.09479	1.0
213.06772	3.1
213.10316	3.3
214.07561	2.0
214.11110	13.3
214.13005	0.9
215.08278	19.1
215.11774	7.0
216.08496	0.8
222.11447	0.7
223.08740	3.6
225.06746	1.7
225.10445	1.2
227.08229	0.7
228.08955	1.7
229.13557	0.7
233.09236	4.8
239.08191	4.4
240.09013	26.8
241.09808	22.2
241.12341	0.7
242.10435	4.0
243.11404	1.3
253.09801	0.9
255.11380	20.8
256.11890	0.8
258.10159	3.5
259.10895	1.8
267.07776	3.8
268.08539	5.9
269.09308	2.8
273.12433	5.7
285.08890	5.1
286.09644	3.0
287.10526	0.9
292.15253	0.7
292.18387	2.1
299.10385	3.6
301.12006	2.0
302.12836	0.8
304.18240	0.9
317.11438	6.4
318.16162	1.5
318.19531	0.9
320.17728	6.6
320.21478	2.0
330.12399	0.6
330.16275	0.9
332.17825	1.6
346.19211	8.9
348.20837	6.2
358.15454	1.2
372.17120	5.5
374.18710	58.7
375.19135	4.7
390.18149	2.7
392.19629	5.3
406.21368	13.3
407.21344	1.2
418.17697	17.0
419.18063	1.2
424.22430	5.9
436.18793	7.6
450.20306	25.2
451.20386	2.0
468.21344	100.0
469.21692	7.5
487.33667	0.6
631.27588	35.0
632.27704	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	631.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	9.6
59.07891	1.3
61.98829	16.3
69.78475	3.0
69.78877	3.8
71.01382	2.2
83.83749	1.2
87.32284	1.1
96.96013	1.2
98.19918	1.5
121.05334	1.7
134.06113	3.0
135.55133	1.2
136.07704	13.9
150.09256	21.5
161.04881	2.1
161.07204	13.6
162.05644	5.6
164.03340	1.7
173.07207	9.5
174.07945	1.8
176.10771	2.7
180.06700	1.4
185.07187	2.0
187.08746	4.4
188.09531	1.6
189.10312	13.6
199.08740	2.6
204.10277	2.5
206.06886	1.8
211.08824	4.5
212.09543	2.2
213.06726	17.4
213.10303	20.4
214.07558	6.4
214.11081	13.1
215.08266	52.5
215.11475	6.1
216.08537	1.9
225.06805	2.4
225.10271	1.9
226.07387	6.4
227.08255	4.0
230.10632	1.9
233.09273	7.7
239.08243	16.9
240.08989	14.0
241.09818	45.8
242.10580	12.2
243.11276	4.5
266.07034	2.2
267.07739	38.3
268.08521	42.9
269.09296	11.7
273.12344	4.9
285.08804	22.8
286.09583	16.7
299.10379	51.2
300.10852	2.9
301.12134	1.4
317.11407	14.1
318.12131	2.2
318.16089	4.2
335.22385	3.2
346.19278	5.2
364.16531	2.4
372.17160	16.7
374.18716	2.9
390.18274	8.2
408.19180	2.4
418.17737	100.0
419.18021	7.4
436.18784	46.5
437.18854	3.8
449.15640	1.6
450.20374	35.4
451.20425	2.9
461.96878	1.3
468.21365	98.1
469.21783	10.0
480.17715	2.5
631.27722	60.0
631.36823	3.0
632.28131	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	631.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50427	0.8
59.01373	2.6
60.69433	0.8
61.98820	4.1
64.45623	0.8
71.63093	0.8
96.04545	1.2
121.05344	1.4
129.67047	0.8
134.06099	3.6
135.04472	1.1
135.06953	1.0
136.07674	16.0
142.78772	0.8
149.04874	1.6
150.09241	27.0
152.28078	0.9
161.04869	1.1
161.07205	13.7
162.05606	6.4
164.03491	2.6
166.05054	1.3
167.05847	1.5
173.07179	10.3
174.07904	1.4
176.10774	2.1
183.09152	1.0
185.07185	2.6
185.10742	1.5
187.08746	3.7
189.10304	13.0
197.07166	1.3
199.05043	0.9
199.08751	4.6
199.12425	1.0
204.10260	3.0
206.06908	1.1
211.08749	3.4
212.09483	2.6
213.06702	21.6
213.10265	20.8
214.07452	7.7
214.11063	16.3
215.08238	55.4
215.11803	4.4
225.06639	3.7
225.10170	1.7
226.07397	7.8
227.08200	3.8
228.08861	1.4
230.10535	2.1
233.09290	9.1
239.08224	14.5
240.08975	14.4
241.09798	52.6
242.10556	12.3
243.11331	3.2
244.08586	1.8
245.09267	2.0
255.11372	1.5
259.11050	1.4
262.09573	1.5
266.06940	2.6
267.07742	36.6
268.08493	43.8
269.09299	14.4
273.12363	5.2
278.44388	0.8
285.08801	24.5
286.09558	22.1
287.10077	1.3
299.10355	61.4
300.10901	4.8
301.11911	0.8
312.07535	1.2
317.11359	16.0
318.08493	1.3
318.12012	2.1
318.16040	3.8
318.19492	1.5
330.15729	2.0
336.16998	1.5
341.33624	0.9
344.17590	2.2
346.19250	5.7
364.16434	1.5
372.17163	19.1
373.17676	1.0
374.18854	4.5
390.18192	5.9
408.19327	2.6
418.17697	91.6
419.18048	7.7
436.18732	47.6
437.18939	4.5
450.20331	34.5
451.20609	4.1
468.21384	100.0
469.21664	10.4
480.17825	1.7
521.35284	1.0
599.25220	2.4
631.27722	57.8
632.27649	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	631.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38955	0.4
61.98838	3.9
70.27615	2.0
71.01382	9.3
71.67449	0.5
72.99308	1.3
83.05053	0.4
87.00892	0.6
89.02443	2.0
91.05538	0.6
99.00903	0.8
109.02970	0.4
115.00369	30.5
119.05040	0.6
133.01428	100.0
134.01788	0.7
134.03766	2.4
135.04524	23.9
151.86139	0.5
153.05595	0.7
177.01932	0.7
179.03499	28.3
180.03815	1.1
236.74289	0.5
236.80386	0.5
295.04605	4.1
365.13992	1.1
409.12891	0.8
427.13699	0.9
589.17474	0.5
636.10974	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.277
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.8
61.98832	5.3
66.11434	0.7
70.17414	0.7
70.42200	1.1
70.42554	2.3
71.01380	1.7
71.61082	0.8
78.95883	1.5
87.28500	0.8
88.30994	0.7
96.04572	0.7
98.19975	1.0
113.02426	1.1
122.09730	1.0
134.06145	4.6
135.02596	0.8
135.04588	0.9
135.06917	2.1
136.07689	17.0
149.04810	1.8
150.09245	26.5
161.04915	1.0
161.05968	1.2
161.07205	15.3
162.05646	6.6
164.03522	3.3
166.05122	1.2
167.05772	0.8
173.07196	10.2
174.07864	1.2
176.10788	2.8
182.08220	1.0
183.09235	1.4
185.07170	3.7
185.10759	1.4
186.07898	1.2
187.08731	5.9
188.09525	1.8
189.10332	15.3
194.08121	1.0
197.07208	1.2
199.08826	5.0
199.12488	0.9
200.09460	0.8
204.10300	3.7
206.06873	0.9
211.08751	4.5
212.09557	1.9
213.06723	21.0
213.10294	19.9
214.07509	9.3
214.11082	16.5
215.08264	56.4
215.11452	6.1
216.08565	2.4
223.08823	1.1
225.06688	4.4
225.10239	2.0
226.07430	7.5
227.08214	3.3
230.10612	3.4
232.08540	1.0
233.09256	8.2
239.08266	15.3
240.09048	15.3
241.09834	49.9
242.10532	13.6
243.11250	3.5
244.08571	1.4
245.09227	1.2
257.09421	1.0
259.10934	1.7
262.09601	1.1
266.06985	2.4
267.07748	38.5
268.08521	48.6
269.06610	1.3
269.09290	16.7
273.12448	4.6
274.12766	1.0
285.08807	27.3
286.09589	22.0
287.10104	1.3
299.10370	58.3
300.10690	2.9
301.11966	1.3
317.11420	16.8
318.12427	1.8
318.15948	3.4
330.16119	1.4
333.14807	1.0
344.17633	1.8
346.19147	5.7
347.19736	1.0
364.16449	1.3
372.17108	21.1
373.17261	1.2
374.18668	4.0
388.70895	0.9
390.18188	8.0
400.16446	1.1
408.19388	1.2
409.47623	1.1
418.17706	92.6
419.18066	7.6
436.18744	45.2
437.19183	5.0
450.20361	39.3
450.25546	0.9
451.20413	3.3
468.21375	100.0
469.21719	8.8
494.19067	1.0
599.25195	2.8
631.27777	58.8
631.38312	8.2
632.27960	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	631.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99757	4.5
53.85346	4.1
54.16190	4.3
59.01369	12.6
71.01373	12.9
73.65502	4.3
82.56383	4.2
97.06573	5.9
115.00347	24.6
119.05068	5.9
133.01437	32.6
133.02988	5.2
134.03740	10.5
135.02995	9.8
135.04533	39.4
151.03964	5.9
159.04562	6.4
177.09137	11.1
179.03423	9.1
187.07663	8.9
189.09161	11.2
193.05035	17.5
205.08601	7.8
215.10753	12.7
231.37666	5.1
231.66937	4.2
233.11720	14.9
267.06729	4.4
276.41162	5.5
277.10767	100.0
278.11261	6.6
291.80930	5.3
295.05844	4.4
321.10037	5.6
339.05020	9.5
341.05551	5.0
365.13959	5.4
561.59454	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	631.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46199	0.4
57.97555	1.0
59.01381	61.0
60.01741	0.5
60.92876	0.5
61.98832	100.0
62.65902	0.4
64.57967	0.4
69.29347	4.0
69.29711	0.7
71.01379	2.5
73.02942	1.2
83.01408	0.4
83.06155	2.2
85.02971	0.8
89.02426	0.4
92.05161	0.4
94.45501	0.5
101.02478	1.9
109.72717	0.4
113.02417	1.3
136.59415	0.4
143.79768	0.4
161.01767	0.9
161.04530	1.4
170.03830	1.8
204.02293	0.4
220.07599	0.4
247.07834	3.0
309.44128	0.5
317.17154	2.1
359.18228	24.8
360.18484	2.4
439.15146	1.1
524.20111	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99757	4.5
53.85346	4.1
54.16190	4.3
59.01369	12.6
71.01373	12.9
73.65502	4.3
82.56383	4.2
97.06573	5.9
115.00347	24.6
119.05068	5.9
133.01437	32.6
133.02988	5.2
134.03740	10.5
135.02995	9.8
135.04533	39.4
151.03964	5.9
159.04562	6.4
177.09137	11.1
179.03423	9.1
187.07663	8.9
189.09161	11.2
193.05035	17.5
205.08601	7.8
215.10753	12.7
231.37666	5.1
231.66937	4.2
233.11720	14.9
267.06729	4.4
276.41162	5.5
277.10767	100.0
278.11261	6.6
291.80930	5.3
295.05844	4.4
321.10037	5.6
339.05020	9.5
341.05551	5.0
365.13959	5.4
561.59454	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	630.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72940	0.5
57.84255	0.5
57.84551	0.6
59.01070	1.2
59.01381	55.0
61.98830	100.0
69.24605	1.4
69.25019	3.5
70.41399	0.5
71.01385	4.4
71.18130	0.5
73.02960	1.6
79.12067	0.4
83.01403	0.6
85.02959	2.0
88.98797	1.0
89.02444	1.0
95.01399	0.6
101.02468	2.8
113.02435	2.6
143.03484	0.5
174.04341	0.6
224.02237	0.5
237.41219	0.5
246.23662	0.5
463.26999	16.7
464.27444	1.3
481.27991	3.9
482.28427	0.7
523.29480	3.9
566.17261	0.6
630.40063	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
58.52874	0.8
59.01378	56.0
61.98829	100.0
71.01379	7.5
71.51785	0.8
71.52124	0.9
73.02942	2.0
79.90331	0.7
83.01365	0.8
83.32541	0.8
85.02953	3.5
89.02425	3.8
96.96038	0.9
97.10207	0.7
97.38136	0.7
101.02429	4.9
113.02451	6.6
119.03465	1.3
135.04474	1.1
135.08185	1.4
145.31212	0.7
161.04539	2.7
179.03488	1.0
179.05620	1.3
205.15904	1.0
226.58138	0.8
440.50638	0.8
463.26990	16.2
464.27084	1.7
481.27921	3.4
523.28857	2.0
542.74854	1.0
588.68671	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17930	0.4
55.03753	0.5
57.95581	0.5
59.01374	5.3
61.98842	3.4
62.27963	0.5
62.56126	0.5
62.58357	0.6
69.33639	4.2
71.01373	2.4
80.72063	0.5
83.01356	0.7
87.00883	0.7
89.02438	0.8
95.05051	0.5
96.96018	10.3
96.96918	0.5
98.95598	6.1
98.96409	1.6
99.00877	0.9
99.92582	17.7
100.92667	0.7
100.93359	2.6
101.02438	1.0
113.02450	1.1
115.91234	0.8
115.92078	38.7
116.92862	100.0
117.92857	2.3
126.77858	0.6
133.01393	0.8
135.04530	0.6
139.04010	1.1
153.87888	0.5
158.93947	0.8
170.93892	0.5
183.97050	0.5
184.91840	2.3
259.56128	0.5
262.32822	0.6
266.20834	0.5
267.57251	0.5
327.21848	0.7
354.27505	0.5
425.16553	0.7
489.16122	0.6
494.15994	0.5
507.16837	3.9
509.18201	0.8
525.18182	2.5
543.19092	3.4
544.19360	0.7
549.18048	3.9
550.18750	0.6
567.19263	2.7
585.19934	6.3
629.19055	21.4
630.19250	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	629.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	4.9
61.98835	2.4
71.01384	2.4
72.99306	0.4
73.02942	0.7
77.38397	0.3
78.43745	0.3
78.95900	0.7
79.95760	0.4
83.01403	0.4
85.02934	0.9
89.02458	1.4
96.96011	9.7
96.96606	0.6
98.95593	6.1
98.96392	1.0
99.00881	0.7
99.92586	25.1
100.92623	0.9
100.93372	1.0
101.02444	1.3
103.00354	0.6
111.00921	0.3
113.02431	0.6
114.94952	0.3
115.92075	28.0
116.92861	100.0
117.92861	3.3
117.93578	0.5
119.03487	0.4
133.01442	0.3
135.04495	0.8
140.92848	0.5
141.93707	1.5
142.94435	1.8
156.92342	0.6
158.93916	1.0
161.04562	0.5
168.96001	0.4
170.93951	0.6
171.94722	0.5
174.05470	0.4
174.93430	0.8
182.93874	0.4
183.10303	0.5
184.91821	2.5
184.95369	0.4
185.92583	0.3
196.95433	0.6
198.93535	0.4
211.13417	1.2
212.94955	1.0
216.90871	0.3
224.95152	0.3
242.95969	4.1
244.97598	1.2
259.96268	0.8
301.97372	0.3
328.96103	0.5
345.96390	0.5
365.10526	1.3
410.10223	0.4
411.11145	0.5
479.09814	0.6
507.13318	1.6
508.13788	0.4
516.72168	0.4
524.12872	0.4
525.14368	8.3
526.14404	0.7
543.15234	3.3
544.15692	0.6
549.15204	0.5
555.15466	0.5
564.22662	0.3
567.15332	1.4
585.16412	4.2
585.26770	0.4
585.29321	0.4
586.16467	0.4
593.13385	2.9
594.12830	0.4
611.14258	0.6
629.15363	9.1
629.35931	3.0
630.16150	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
61.98829	26.6
71.01368	5.2
71.52548	6.7
78.95940	5.0
87.92551	6.2
99.44799	3.9
133.02934	4.3
141.01691	59.5
149.31465	3.5
171.94659	7.6
180.95157	5.4
338.99969	8.8
434.24231	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63743	0.7
68.98483	0.7
71.01384	17.5
71.51720	1.1
72.99307	5.7
77.60333	0.7
85.73961	0.7
87.00887	0.9
89.02458	1.8
109.02943	0.8
113.98505	0.9
115.00372	47.7
121.02954	2.3
124.83622	0.7
133.01433	100.0
133.03021	4.0
134.01830	1.9
134.03761	7.6
135.04529	56.4
136.04895	1.2
139.42740	0.7
149.02443	0.8
152.95949	4.9
161.02449	17.7
170.97006	5.4
179.03503	53.4
180.03787	1.0
191.00272	3.5
204.99084	2.7
216.99089	38.6
217.99469	0.8
222.99181	0.8
234.99257	2.6
235.19034	0.8
242.98070	1.0
245.01302	1.2
248.97226	2.0
269.08154	1.9
289.00296	8.3
295.04410	5.2
321.03891	1.1
333.00159	48.4
334.00616	1.8
339.01477	0.9
339.04974	4.9
361.02438	4.2
380.29462	1.1
381.13284	0.9
383.46152	0.8
387.44366	1.0
397.02524	1.2
467.02533	1.0
469.04404	2.0
469.10800	1.5
495.09363	1.7
504.65723	1.0
513.10443	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92907	0.3
59.01355	0.2
61.98829	1.4
69.29411	1.5
69.29829	0.9
71.96452	0.3
81.94004	0.2
93.03471	0.6
98.19906	0.6
99.08076	0.3
106.04252	0.6
107.05042	0.6
117.03456	6.2
119.05029	11.1
121.02959	1.8
132.02173	0.7
133.02962	17.8
134.03755	9.8
135.04529	42.8
136.04839	0.9
137.02438	6.9
139.03975	2.1
142.28578	0.3
142.69197	0.3
145.02959	19.0
146.03285	0.4
149.02513	0.4
150.03207	0.3
161.02443	39.0
162.02856	1.0
163.03999	6.5
178.02713	2.4
179.03497	20.2
180.03816	0.5
201.95248	0.3
218.30896	0.3
243.90495	0.3
316.14429	0.4
445.29633	1.4
461.29059	21.0
462.29483	2.1
463.30676	2.7
479.30115	20.0
479.37192	0.4
480.30493	1.9
625.33783	100.0
626.34094	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	627.2095
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
59.62497	0.3
61.98814	1.5
69.94518	0.8
69.94938	0.9
73.02933	1.3
78.95924	0.4
100.21497	0.4
146.84207	0.4
153.94405	0.3
163.77428	0.4
169.98303	0.4
312.13760	0.4
437.12482	0.6
438.13174	1.1
450.13547	0.4
451.14044	1.4
452.14905	3.4
453.14960	0.5
465.16571	0.8
466.16519	0.4
469.11377	0.8
479.17365	0.8
480.14581	1.3
481.14957	7.8
482.15054	1.1
484.14011	0.5
493.15448	1.3
494.16309	0.9
495.16754	16.7
496.17291	2.5
497.17868	0.5
498.15540	0.5
507.16702	0.7
508.17892	2.5
509.18024	1.3
512.13464	1.1
521.13995	0.8
522.15350	0.6
523.16473	1.4
526.14862	1.0
530.74615	0.4
533.17938	0.8
535.16254	2.0
536.16797	2.5
540.16895	3.0
551.19360	41.3
552.19476	5.3
553.17633	0.5
554.17676	1.3
555.18597	1.5
567.18695	0.5
568.16058	0.8
572.15363	3.3
586.17017	1.9
595.18365	9.2
596.18280	1.1
627.20886	100.0
628.21173	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41729	1.3
52.19551	1.2
59.01379	100.0
61.98830	2.2
69.36282	10.3
69.79838	1.2
71.01380	10.1
73.02936	4.9
76.98898	1.4
79.95729	1.9
83.01403	3.5
85.02971	6.6
96.96014	3.7
101.02443	8.2
106.06969	1.3
113.02454	4.5
115.00319	1.8
125.02406	1.7
133.01385	2.3
133.02907	1.3
149.50375	1.3
161.04486	3.4
387.24091	7.4
405.25183	3.9
429.24744	10.7
447.26025	6.6
471.25992	10.8
489.27219	9.0
507.27954	4.6
581.29181	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.267
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47080	0.8
59.01357	1.7
61.98840	1.8
64.04947	0.7
70.07249	0.8
70.07591	3.3
71.01346	1.0
73.13078	0.7
78.95878	1.2
85.87542	0.9
86.56838	0.8
90.03466	0.8
119.04996	1.2
133.03052	0.8
135.04530	1.2
136.04799	1.3
143.60043	0.9
145.02980	1.5
161.02419	1.4
162.02708	1.4
168.44731	0.8
213.10336	9.8
215.11790	1.0
249.06775	0.9
267.11227	1.0
297.12494	0.9
299.13843	2.7
301.21701	1.2
316.07437	0.8
327.10046	1.2
328.10861	1.1
342.12216	1.3
349.72931	0.9
356.14041	0.8
372.13074	1.2
398.14948	1.1
405.13162	1.1
418.10544	1.2
419.10883	1.0
432.12225	1.1
433.12918	5.2
434.13788	2.6
439.21356	1.3
447.14410	3.7
448.15488	10.2
449.16013	6.8
450.16071	1.6
463.17804	18.7
464.18170	3.2
473.15570	0.9
473.35242	0.9
475.14041	1.2
476.14752	1.1
477.19809	5.7
478.19736	2.5
478.26962	1.3
479.20868	15.6
480.20807	2.0
489.15393	1.0
490.16757	1.2
491.17184	30.4
492.17398	2.9
505.18842	4.8
506.19467	9.0
507.20093	2.8
519.20367	1.5
520.21063	2.2
523.19922	4.0
525.24927	1.3
537.21222	1.3
538.22217	36.5
539.22894	9.6
551.22467	0.9
593.23981	9.1
594.23798	1.8
607.31927	1.2
625.26459	100.0
626.26941	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	625.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	7.7
59.01382	1.9
61.98825	0.6
67.01900	1.0
71.01376	1.4
81.03479	1.0
83.01400	1.0
83.05040	1.0
85.02946	10.2
87.00872	3.1
93.03452	10.0
98.19898	0.8
105.63863	0.5
108.02165	0.6
109.02959	2.5
111.04530	1.3
117.03537	0.5
119.05019	2.0
121.02966	0.7
123.04532	0.7
124.01732	0.5
125.02449	68.8
126.02818	1.7
127.03984	2.7
133.02956	1.7
137.02451	3.0
140.89590	0.5
145.02910	1.2
149.02467	1.6
150.03207	4.3
151.03993	1.7
155.03481	0.6
159.04582	0.6
161.02440	14.0
163.03944	0.7
164.01176	3.9
165.01952	1.8
169.06635	0.5
171.03059	0.8
171.04523	0.7
173.04553	3.2
173.05974	1.1
175.03989	1.1
177.01942	12.5
183.04404	0.6
191.05611	100.0
192.05919	2.5
193.06593	1.8
209.06090	0.7
211.07588	0.7
213.05586	1.1
214.02963	0.5
225.05452	0.7
237.05534	1.4
239.07076	0.6
243.06573	0.9
250.56949	0.5
253.05089	0.9
255.06642	2.1
257.08176	0.7
263.07159	0.7
267.06653	2.7
269.04468	0.7
281.04541	43.1
282.05170	4.3
283.06064	4.3
284.06915	1.7
285.07767	3.8
287.05545	7.0
307.06058	1.2
309.04031	1.2
310.04858	1.1
323.05530	0.8
327.05084	0.7
337.09280	1.4
347.09186	0.9
371.09283	1.1
389.10245	2.3
403.75595	0.6
407.11392	6.6
408.11517	0.9
433.09262	25.5
434.09500	1.8
451.10220	2.0
625.15594	42.8
626.16138	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	623.328
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07043	1.9
57.03438	6.5
59.01376	84.2
61.98822	2.3
69.03420	2.2
71.01376	38.2
72.99300	2.6
73.02950	12.8
83.01382	4.9
85.02942	14.5
87.00875	3.8
89.02431	25.9
93.07086	3.4
96.96025	3.5
97.02952	4.8
98.19856	4.2
101.02439	24.5
109.06583	3.7
111.00837	2.3
113.02441	19.3
115.00346	4.2
119.03483	8.9
125.02416	16.8
133.01399	6.3
133.30037	2.3
135.04486	4.1
137.02440	2.1
143.03418	2.1
153.12897	2.2
161.02419	3.8
161.04507	6.5
176.25308	2.1
179.03435	4.3
179.05489	5.0
191.05591	2.9
193.04971	3.5
207.10301	9.4
219.02905	2.6
225.11308	7.7
245.17529	10.7
299.01904	2.7
339.12314	2.4
357.26349	3.0
375.27435	6.7
389.21762	6.2
397.13528	3.7
407.22876	3.4
415.14188	3.2
519.31677	100.0
520.31940	6.4
537.32715	30.2
538.33148	4.4
579.33600	8.9
623.25677	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	623.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	1.3
57.03449	11.5
59.01381	32.4
70.94374	1.0
71.01382	16.4
71.52347	2.0
72.99313	1.3
73.02938	6.0
78.95895	1.2
83.01373	2.1
83.05031	2.7
85.02943	5.2
89.02464	8.5
89.02916	1.7
93.03452	4.4
95.01382	1.8
96.96024	1.4
99.00862	2.1
101.02431	6.9
109.02944	4.5
109.06545	2.1
113.02443	8.5
115.00310	2.1
117.03495	1.2
119.03501	2.0
125.02447	100.0
126.02740	1.5
129.01030	1.3
133.01387	3.7
133.02937	4.6
134.03691	1.3
135.04524	32.9
137.02435	4.5
145.02924	2.9
148.95779	1.2
149.02374	1.6
151.03865	1.3
159.04369	1.4
161.02431	21.4
161.04544	4.7
162.02780	1.4
164.01118	1.9
165.01872	2.0
172.05252	1.2
174.75661	1.3
175.03979	1.8
177.01877	1.6
179.03510	23.7
179.05331	2.3
187.04047	1.4
193.05029	1.3
199.04039	1.3
201.01761	2.2
207.10263	6.7
217.01407	1.4
219.02982	2.0
225.11292	5.6
243.02950	2.5
243.16068	1.6
245.17491	6.0
253.05141	2.0
269.04575	2.0
271.02350	1.5
271.06131	3.5
279.06680	1.2
283.05969	3.5
287.05569	13.7
297.03955	5.5
299.01862	4.4
313.03424	4.0
314.04208	3.4
315.05255	1.4
323.05447	2.1
327.05026	2.3
335.07703	16.2
343.52258	1.2
354.45010	1.3
357.26373	5.1
375.27371	2.7
387.07108	1.3
405.09592	2.5
415.14877	1.7
423.10681	1.7
449.08676	13.4
471.09119	3.8
519.31653	31.1
519.38934	2.5
520.32269	2.5
537.32263	6.0
579.26385	3.7
623.15448	5.7
623.25385	4.7
624.15631	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70884	5.7
68.66859	5.5
69.66142	21.8
87.69195	5.8
109.02940	18.4
136.01628	20.7
142.97147	5.0
151.03979	21.9
163.27663	5.5
175.03940	6.6
190.06311	6.1
199.71440	5.6
267.06601	46.3
282.08994	45.0
297.11316	100.0
298.11578	7.2
312.10297	7.0
327.12445	43.5
345.13498	67.7
355.97665	5.6
357.13385	24.2
375.14410	50.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98099	0.2
53.74644	0.2
60.07756	0.2
62.17220	0.2
66.38949	0.3
69.48978	1.8
90.28862	0.2
93.03439	0.3
101.48672	0.3
105.03484	0.4
106.04250	0.4
107.05003	0.4
111.28699	0.2
113.73262	0.3
117.03464	6.7
119.05026	11.2
121.02982	1.4
123.04533	0.3
132.02199	0.8
133.02957	17.5
134.03758	8.7
135.04529	38.9
136.04839	1.4
137.01553	0.2
137.02441	6.5
139.04004	2.0
145.02953	19.6
146.03299	0.7
150.03235	0.5
161.02438	40.9
162.02757	1.6
163.04012	6.8
164.04320	0.3
178.02681	1.8
179.03493	18.7
180.03876	0.6
207.28432	0.3
355.20947	0.3
443.28024	0.6
459.27499	19.8
460.27939	1.6
461.29028	2.6
477.28546	21.2
478.28964	1.4
527.53455	0.3
623.32196	100.0
624.32550	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	623.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
70.28966	6.1
70.96758	5.8
70.97076	7.9
71.01371	11.6
73.45890	6.9
93.74241	5.7
115.00329	16.7
119.05005	13.4
120.05350	5.8
122.03727	7.2
128.93393	5.9
133.01414	69.8
134.01723	11.0
146.03677	9.3
149.02417	60.6
150.03192	30.3
156.21660	5.6
163.04031	18.7
164.04631	21.1
165.05547	41.3
179.07071	10.9
195.06596	35.0
219.88356	5.5
236.14072	4.9
243.74579	5.3
271.93805	6.7
282.08829	5.8
312.10052	29.8
327.08731	9.2
327.12344	100.0
375.14813	6.0
482.29517	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	623.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25098	3.3
69.49619	23.3
74.48177	3.3
80.33305	2.9
83.01393	3.4
84.30348	3.1
105.75836	3.2
109.02940	16.3
116.60363	3.4
117.70840	3.4
121.29957	2.9
125.02440	4.4
130.73256	3.9
136.01682	19.4
151.03990	25.8
185.58821	3.3
186.76120	3.3
250.06583	3.5
267.06610	43.6
278.70859	4.2
282.06201	4.7
282.08997	48.4
297.11304	100.0
298.11301	4.0
345.13409	73.1
346.13721	5.6
357.13382	14.1
375.14407	23.4
471.27777	3.5
476.00897	3.5
519.04199	3.9
528.85931	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	622.2991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.7
61.98820	0.9
71.01391	0.4
71.05019	0.9
78.95903	100.0
89.53181	0.3
96.96957	5.1
98.19872	0.7
115.07645	0.4
122.06054	0.3
127.11277	0.8
133.01447	0.6
152.99585	0.5
167.14394	0.9
169.12340	8.5
171.00636	61.4
172.00952	0.7
199.00267	0.3
203.79076	0.3
211.13400	2.5
229.14424	4.5
229.55408	0.3
236.16537	1.1
238.14575	0.6
241.18082	0.9
274.07208	0.3
280.15546	2.0
283.19159	2.4
291.57684	0.3
294.97302	0.3
311.48175	0.3
433.02307	0.4
497.51511	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44552	0.5
56.31390	0.5
57.03443	10.6
58.25697	0.5
58.64437	0.5
59.01365	1.6
69.59023	0.5
70.95569	0.5
71.01365	0.9
71.27979	1.1
73.02925	0.8
73.46078	0.5
75.00694	0.5
81.03446	0.9
83.01369	1.4
83.05032	0.6
85.02970	0.6
89.03925	0.5
93.03458	4.0
105.01187	0.6
105.15838	0.7
109.02950	5.6
110.09798	0.5
111.04478	0.8
113.02406	0.6
115.00385	0.5
121.02947	0.6
123.04497	0.5
125.02441	100.0
126.02782	1.3
133.02943	2.7
134.03725	1.2
135.04520	30.8
136.04745	0.5
137.02448	3.4
145.02995	1.7
149.02390	0.6
151.03970	0.5
155.03485	0.6
161.02437	26.7
162.03233	0.7
164.01117	2.5
165.01909	0.5
173.04536	0.5
173.06044	1.2
174.22243	0.6
175.04031	0.9
177.01945	1.3
179.03488	21.8
180.03862	0.7
185.06088	0.9
187.04007	1.1
189.01898	1.6
196.05234	0.6
197.06119	1.1
199.03992	1.1
209.06143	0.6
211.03868	0.6
213.05594	0.5
215.07123	0.7
225.05577	1.1
227.03586	0.5
229.04933	0.8
241.05193	0.9
243.02945	0.9
243.06639	1.0
245.04565	0.8
253.05057	2.1
265.05096	0.5
269.04568	2.9
271.06149	3.1
279.06720	0.9
283.06024	3.4
287.05591	12.1
288.05832	0.7
295.06107	1.4
297.04092	7.1
297.07336	0.9
298.04935	0.7
299.05783	0.8
309.03830	0.7
313.07202	0.9
323.05576	2.5
327.05127	3.4
335.07669	22.2
336.08057	0.7
339.05466	0.6
345.06058	1.0
348.06595	1.1
363.08716	1.2
405.09848	2.3
423.10776	3.1
449.08786	18.3
449.15103	1.0
450.09320	1.8
471.09381	4.4
605.94000	0.6
623.14264	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	622.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.3
69.62777	1.4
69.63182	4.5
71.01388	11.9
72.99322	1.0
74.76012	0.7
87.00896	1.0
89.02486	2.0
101.26972	0.8
115.00379	27.8
119.04161	0.9
119.05031	25.6
133.01434	100.0
134.01743	1.7
135.04498	4.0
145.02924	1.4
149.02415	1.9
150.03221	2.3
161.02475	1.0
163.04012	30.1
164.04691	1.0
165.05571	2.7
178.05247	0.8
179.03578	1.5
191.58623	0.9
195.06508	1.0
204.69608	0.9
206.04555	2.6
279.05093	4.6
297.11319	1.1
312.09869	1.0
327.12384	4.4
342.09903	4.6
380.34918	0.8
404.48453	0.8
451.42694	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.156
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70514	0.7
57.56322	0.8
71.01381	9.7
71.02803	2.2
72.99321	1.7
90.42439	0.8
91.03424	0.8
115.00374	29.2
119.05028	24.5
120.21535	0.8
127.68166	0.8
133.01431	100.0
134.01775	2.4
135.04529	5.0
149.02455	2.4
150.03233	1.3
151.03928	1.2
161.02487	1.1
163.04008	29.2
164.04408	1.3
165.05553	2.6
178.05087	1.0
179.03577	1.0
201.65579	0.8
204.97182	0.8
206.04463	1.9
222.03917	0.8
232.90845	0.9
277.25388	0.8
279.05197	3.4
327.12228	4.0
342.09720	4.7
650.05322	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33617	1.8
57.03442	4.8
59.01378	32.2
65.42387	1.4
69.03446	2.9
71.01381	16.7
71.51670	1.5
73.02950	17.4
73.59019	1.5
75.00870	1.9
83.01389	4.6
85.02979	2.9
101.02451	14.7
102.24599	1.3
111.08154	4.7
113.02454	3.2
119.03484	1.6
125.02437	3.8
126.16792	1.5
127.11294	5.9
143.03516	2.8
148.04099	3.2
149.04575	2.1
149.09666	2.2
151.05936	1.8
153.09195	10.7
156.78322	1.5
160.44835	1.8
161.04593	4.7
167.10770	3.2
171.10268	100.0
172.10567	2.9
173.06050	4.8
174.04308	2.5
175.04744	2.1
185.11772	2.5
190.07362	2.9
191.07843	2.3
195.10262	2.0
201.14928	6.3
203.05621	3.5
213.11407	7.4
221.06619	1.7
232.08400	2.7
233.08627	2.8
234.09203	2.8
264.18887	2.1
347.09058	1.8
352.35464	1.7
370.52847	1.8
373.25903	6.0
380.40442	1.8
383.17865	1.7
384.18393	1.7
392.32486	1.7
438.18536	1.8
440.19257	1.9
451.32193	4.0
455.20261	3.3
456.20135	5.6
457.20648	3.4
458.21338	2.2
577.32233	3.6
579.27838	2.3
580.95331	2.1
621.28284	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	5.9
58.00597	2.1
59.01372	13.1
61.44557	1.3
67.33910	1.4
68.34124	1.4
69.03465	1.7
69.43872	10.8
71.01376	6.8
73.02944	5.2
83.01380	1.9
85.02930	1.9
94.29630	1.4
101.02439	4.8
111.08154	8.7
113.02426	1.9
113.09767	1.9
124.76197	1.4
127.11271	10.5
138.96378	1.3
153.09184	6.4
161.04591	1.4
165.09233	1.8
169.20854	1.4
171.10265	100.0
171.13864	5.8
172.10544	2.8
173.06023	5.0
183.10237	2.0
185.70302	1.5
201.11223	6.9
201.14949	21.3
255.10072	1.6
260.50519	1.5
345.19058	1.7
355.25003	7.3
373.25906	68.1
374.26151	5.0
553.62506	2.0
577.32166	5.8
621.29309	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	621.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	3.5
59.01379	89.1
61.98828	2.1
66.71188	1.1
71.01384	12.7
73.02949	3.0
73.98296	2.5
75.00881	1.2
83.01370	2.1
85.02949	6.3
87.00865	1.7
89.02457	5.1
95.01318	1.3
98.19850	2.2
99.00870	1.7
101.02419	7.8
105.55365	1.1
111.08159	3.7
113.02435	7.3
115.00347	1.6
117.97327	2.4
126.06886	1.1
133.01382	1.7
135.04549	3.2
148.03999	1.5
157.88380	1.1
161.04593	1.0
171.10268	1.8
177.02008	1.3
190.07458	1.3
249.55907	1.2
295.22961	1.4
355.24774	1.9
356.12061	1.2
357.12463	1.1
373.25912	47.1
374.26257	3.5
397.25989	3.8
421.26141	1.4
439.26968	4.1
454.19962	3.8
457.28430	5.9
475.28760	2.6
492.48007	1.4
577.24182	5.0
577.32239	100.0
578.32306	8.8
603.25287	1.6
621.26605	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78161	0.8
57.03447	2.0
59.01385	9.6
61.18749	0.7
69.17172	1.9
69.17579	4.6
71.01389	3.1
71.05030	1.4
73.02940	2.2
82.03025	0.7
83.01381	0.8
83.05056	1.0
85.02985	1.1
93.14085	0.7
96.96019	2.5
97.06580	1.9
101.02456	2.8
111.08190	0.9
113.02462	0.8
113.09737	1.1
117.03693	0.6
123.08152	2.0
125.09714	0.7
132.81177	0.7
135.04556	0.8
141.09196	0.9
141.12923	0.9
145.97876	0.7
155.10881	1.3
185.11819	1.2
187.43924	0.8
211.16942	0.8
228.89197	0.6
243.25267	0.7
267.23312	1.1
279.23276	1.6
311.69562	0.6
327.25085	0.9
336.45444	0.7
343.24695	3.5
355.24805	5.1
357.26514	1.2
373.25931	100.0
374.26279	7.7
397.25977	1.1
415.26944	0.9
457.27652	0.9
517.14886	1.1
517.30511	0.9
535.31091	1.5
577.23712	1.2
577.32281	16.0
578.32513	1.5
635.19818	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
58.88535	0.5
63.46119	0.5
67.40170	0.4
69.33794	1.7
69.34227	1.7
78.95917	0.7
93.03469	0.9
107.05032	0.8
117.03461	6.9
119.05029	13.0
121.02972	1.6
125.06097	3.0
132.02122	0.7
133.01936	0.7
133.02962	20.9
134.03763	9.9
135.04532	37.7
136.04836	1.1
137.02441	6.3
139.04016	2.3
145.02959	19.9
150.03209	0.8
152.99556	0.7
161.02444	48.6
162.02890	1.3
163.04013	8.5
164.64427	0.5
172.54430	0.4
178.02768	2.5
179.03500	20.2
186.07814	0.5
277.21732	2.1
316.69257	0.5
441.26630	0.6
445.35904	0.5
457.25961	18.5
458.26004	1.0
459.27536	3.0
475.26984	23.3
475.33832	1.1
476.27170	1.5
621.30658	100.0
622.30981	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	621.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04017	2.9
57.29175	3.0
58.86895	3.0
59.01368	7.0
62.63066	3.2
64.08976	3.1
67.81170	3.1
69.20044	20.4
69.20453	11.9
71.01390	4.7
73.02930	5.3
97.04114	3.4
101.02406	3.9
106.38430	4.0
121.02953	9.8
267.06683	5.4
268.07379	4.9
269.08188	23.3
283.09760	16.9
284.10489	5.6
292.49496	3.8
295.09491	4.7
311.09186	19.7
328.09476	6.9
340.09436	16.4
343.07745	5.8
343.11880	100.0
344.12112	6.9
355.08002	4.1
355.11926	40.3
373.12808	13.3
385.12881	5.9
397.13071	4.7
603.23834	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	621.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	46.2
61.98820	3.8
69.37748	5.4
69.38161	2.0
71.01384	9.7
73.02943	2.0
80.25708	1.0
85.02951	4.0
89.02431	4.4
90.96772	1.0
95.01398	1.2
101.02435	4.5
102.11455	1.0
104.37923	1.2
108.02218	1.3
113.02417	4.6
119.03538	1.9
121.02969	5.4
122.03732	1.5
134.03748	1.1
135.04543	1.1
136.01651	48.3
136.07657	1.1
137.02382	2.4
151.04001	71.9
152.07169	1.2
160.05206	1.8
161.04530	2.5
162.03235	1.4
173.06096	1.0
187.04015	1.1
342.11057	8.3
343.11670	1.4
357.13406	100.0
358.13715	7.7
373.25790	1.2
397.17526	2.4
399.23581	1.0
417.24942	1.9
505.60962	1.1
561.29041	7.1
579.30127	5.2
621.30939	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
67.53725	0.4
67.97732	0.4
69.87618	1.4
69.88023	1.2
80.26154	0.4
84.00163	0.4
86.46669	0.5
93.03418	0.7
98.19968	0.7
104.11711	0.4
107.05039	0.6
115.01865	0.4
117.03457	5.2
119.05017	11.5
121.02956	2.4
132.02147	0.8
133.01935	0.9
133.02956	19.4
134.03758	9.3
135.04527	39.5
137.02446	5.6
139.04050	2.0
145.02951	20.1
145.04126	0.6
146.03232	0.5
150.03180	0.5
161.02446	47.9
162.02811	0.9
163.04002	7.3
165.58679	0.5
178.02710	2.2
179.03499	19.3
441.26471	0.6
457.25952	17.7
458.26236	1.5
459.27542	2.4
475.27014	21.0
476.27289	2.2
621.30634	100.0
622.31006	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	621.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02810	1.8
57.50167	2.1
59.01378	5.8
61.98810	2.1
67.54652	2.4
70.02218	7.1
71.01382	3.8
71.42469	2.1
75.50035	1.8
121.02994	13.3
147.04477	2.5
160.57813	2.4
237.05426	2.2
240.04109	2.8
255.06593	5.0
267.06604	12.1
268.07483	5.2
269.08179	21.5
280.07227	4.0
281.08121	7.1
283.09955	11.4
284.10538	4.4
295.09793	7.7
296.10419	3.6
311.09232	19.4
312.09750	2.5
328.09552	8.8
340.09509	20.0
343.11850	100.0
344.12064	5.0
355.11856	60.7
356.12228	3.2
373.12936	14.0
373.17227	2.0
487.07117	2.3
577.19177	6.2
585.80170	2.3
634.33234	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04746	8.1
52.75089	7.9
54.41252	6.8
59.01382	84.6
59.28216	7.3
59.54971	7.3
60.40807	7.6
61.98855	6.6
69.17316	33.4
69.17735	40.1
71.01378	34.4
73.02938	10.6
85.02938	16.0
89.02424	13.3
94.72249	7.0
98.20661	15.8
101.02444	16.2
106.31443	7.6
113.02428	16.6
133.01422	8.7
136.01639	24.8
138.97572	7.0
151.04045	35.3
161.04529	9.8
246.67957	7.3
267.06546	23.5
280.07190	7.8
281.08133	9.8
283.09763	10.0
295.09753	11.0
340.09335	36.2
343.11914	46.4
355.11844	100.0
356.12399	9.1
357.13513	47.0
373.13409	13.3
397.12759	10.9
501.17719	10.6
577.32092	28.3
579.30890	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.0
57.03436	0.9
59.01379	100.0
69.22076	3.6
69.22504	4.0
71.01382	16.4
73.02955	2.7
83.01397	2.6
85.02953	9.3
87.00884	1.4
87.04510	1.0
89.02438	10.2
95.01416	2.1
98.19931	1.9
98.68409	0.9
99.00910	1.1
101.02443	7.6
113.02451	22.6
119.03478	3.6
124.01485	0.7
127.43182	0.8
133.01437	0.8
143.03508	3.3
161.04541	5.7
179.05597	4.9
181.37607	0.8
232.48764	0.9
245.77866	0.8
267.19714	1.5
411.24020	5.6
423.23828	7.0
441.24738	3.0
451.26828	1.2
481.27905	6.2
499.29150	50.0
500.29294	4.0
517.30109	10.2
559.31128	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	619.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62585	0.9
59.01382	23.3
59.18252	0.8
60.99297	1.2
61.98857	0.9
71.01384	15.6
71.52654	1.5
73.02937	6.2
73.27110	0.8
75.00880	0.9
78.95916	6.1
79.95744	3.0
83.01365	1.5
85.02942	4.3
87.00878	1.5
88.98823	1.8
89.02434	6.5
89.51926	1.1
95.01408	1.9
96.96009	100.0
96.96910	6.2
101.02438	8.8
109.02894	1.1
113.02460	8.6
115.00379	2.4
116.92824	1.2
119.03535	2.6
119.05028	1.0
125.02474	0.9
133.01407	3.2
134.97542	0.8
135.03049	1.3
135.04515	1.4
135.62839	0.9
149.04523	1.5
161.04532	3.2
221.06538	1.5
226.06505	1.1
281.08105	1.7
311.09415	1.0
329.10248	3.4
341.10330	2.3
371.24390	1.3
497.27954	1.8
501.26733	2.1
515.28625	12.0
521.16541	2.0
533.29645	6.8
557.29688	2.2
559.49451	1.1
575.30695	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.8
59.01380	100.0
59.20221	2.0
71.01383	47.1
71.51926	3.2
72.99303	2.6
73.02943	13.8
83.01397	5.5
85.02947	16.7
87.00890	3.2
89.02448	22.7
95.01370	2.6
96.96002	9.0
99.00873	3.7
100.78547	2.3
101.02442	25.3
102.87458	1.9
113.02450	29.5
113.03172	2.9
115.00391	4.5
117.61443	1.9
119.03490	10.4
133.01450	3.8
134.03777	2.6
135.02936	3.2
135.04527	5.4
143.03488	2.3
160.01732	3.3
161.02464	2.1
161.04547	8.7
175.04004	6.0
179.05602	3.4
193.05170	2.5
215.82906	2.1
241.09727	3.6
255.03032	4.9
284.03250	6.1
331.55386	2.4
353.23502	2.9
409.22125	3.3
427.23309	7.2
479.26559	7.8
497.27554	39.8
498.27695	3.0
499.29239	2.9
515.28662	46.7
516.29205	2.6
533.29535	7.9
546.13409	6.3
546.63312	2.4
557.29510	3.2
559.28137	4.3
577.28345	3.3
619.27777	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2887
Annotation	CHEMBL3745966
Peak:m/z	Relative Intensity
59.01380	4.3
61.98847	1.0
67.54795	0.6
69.37341	0.6
69.40385	5.9
71.01385	1.0
74.23311	0.6
78.95905	69.6
83.05007	0.8
96.96951	12.3
125.71233	0.7
150.98016	0.9
152.99583	100.0
171.00589	3.2
201.29114	0.8
205.19611	1.0
223.00119	9.6
241.01166	30.5
254.50746	0.6
259.02155	2.1
259.24307	2.7
287.57584	0.7
303.23288	33.5
304.23557	2.9
310.34918	0.7
315.04874	21.0
333.05789	2.2
358.86459	0.8
545.87823	0.7
619.28870	82.5
620.29114	8.7
621.04688	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.49376	1.4
61.98827	14.5
69.61461	1.5
71.52052	1.6
73.71210	1.9
78.95905	20.9
82.64441	1.6
96.96968	3.4
122.34660	1.7
125.43178	2.0
142.87640	1.6
143.91556	1.9
152.99603	9.1
170.62962	1.7
237.85509	1.9
255.23282	12.5
351.13449	1.8
391.22644	2.2
414.15067	2.0
415.15787	2.8
416.16360	13.5
430.17798	4.1
431.18613	2.4
459.18253	100.0
460.18665	8.9
461.21033	2.1
473.19833	14.9
474.20496	4.0
501.19550	2.3
503.17221	3.9
518.19482	40.8
519.19598	2.7
532.21240	9.5
533.21906	97.1
534.22363	8.4
587.22601	4.8
619.25464	80.6
619.33130	3.8
620.25842	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	619.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08519	1.1
57.56230	1.3
58.00516	1.2
58.23555	1.0
58.73212	1.1
59.01094	0.8
59.01382	22.9
60.99311	16.8
61.98833	2.5
71.01382	8.1
71.52662	1.4
73.02937	9.6
75.04898	1.1
78.95894	1.2
83.01387	2.1
88.98808	100.0
89.02426	1.9
101.02442	10.2
107.05033	1.1
109.06609	1.2
113.02436	3.8
115.04546	1.2
119.03513	1.3
120.99695	2.0
130.21803	1.0
133.01410	1.7
135.04524	4.1
141.71402	1.1
143.03557	1.1
147.62669	1.1
148.90973	1.3
149.04539	2.0
153.05533	1.9
161.04594	4.3
179.03496	1.7
183.76912	1.2
184.87508	1.1
233.08853	1.3
265.85474	1.1
455.20352	2.0
456.20142	2.7
595.05774	1.5
619.26160	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2559
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
50.90459	1.0
54.40800	1.1
59.37860	1.0
59.93736	1.1
70.97534	2.1
70.97883	1.4
78.95882	3.9
87.12496	1.0
141.19537	1.0
152.99585	1.0
195.06538	1.6
242.63045	1.0
255.23218	3.4
324.30048	1.1
368.14877	1.1
394.90182	1.3
401.14053	1.3
415.15540	4.0
416.16406	13.1
417.17047	1.5
429.17514	1.7
430.17758	1.7
431.18491	2.2
444.16135	1.9
459.18237	100.0
460.18582	7.5
473.19830	14.2
474.20395	6.4
485.16336	1.2
501.18851	1.4
503.17126	3.8
517.17822	1.1
518.19617	44.8
519.19873	4.7
532.21100	8.7
533.21924	91.9
534.22424	7.9
587.23102	6.3
619.25519	69.0
620.26263	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	617.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28847	4.8
57.57622	4.9
59.01377	5.4
61.98822	31.5
68.61180	5.6
71.52373	9.3
78.95911	91.3
80.82562	4.5
94.85341	5.4
102.89194	4.8
110.98528	7.2
149.09686	18.6
152.99582	45.0
163.11333	5.6
166.04115	4.8
193.08620	15.7
207.10216	8.8
225.11334	10.7
255.23302	100.0
256.23584	6.0
299.08920	5.7
336.76511	6.5
361.10583	11.5
391.22491	22.9
409.23587	10.6
512.60999	5.4
617.07306	5.6
617.34644	37.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4055
Annotation	Lansioside B
Peak:m/z	Relative Intensity
51.05164	0.7
57.03445	1.1
59.01369	4.0
61.98832	6.2
66.09131	0.8
68.83366	0.7
71.01369	3.7
75.45013	0.7
76.71496	0.8
78.44566	0.9
78.95903	1.0
83.01344	0.8
85.02948	5.8
87.00838	1.0
94.98332	0.8
95.37200	0.8
96.91676	0.8
98.20665	2.6
101.02480	1.2
113.02459	3.3
124.65945	0.9
136.77335	0.9
147.90269	0.8
150.09171	1.2
152.99535	1.0
241.09825	2.7
433.55045	0.8
436.18881	0.8
442.64273	1.0
454.19846	3.7
458.31143	0.9
543.36914	1.9
569.39032	1.2
571.40186	4.8
579.37732	1.1
615.39014	1.1
617.40576	100.0
618.41040	11.0
618.88031	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3856
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
74.74901	10.6
78.95908	88.8
108.50276	11.7
113.70730	12.4
152.99567	43.7
213.15857	13.3
255.23300	42.3
256.23688	36.9
391.22736	15.5
410.23776	16.0
618.35022	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	619.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01350	1.6
65.58872	1.6
65.65644	1.6
69.98518	6.2
71.01374	15.2
72.99297	3.6
82.96320	1.5
96.96017	4.1
98.20435	3.9
115.00366	14.8
119.05024	50.0
120.05399	1.6
123.34874	1.5
133.00456	2.9
133.01436	40.4
134.01736	2.5
135.04518	5.8
163.04004	100.0
164.04320	2.3
174.20215	1.4
177.01926	9.9
179.03477	4.2
199.67755	1.7
214.92996	1.6
221.04453	3.3
231.28400	1.8
279.05093	7.2
296.60751	1.6
391.63373	2.1
440.59836	2.3
458.80273	1.8
503.13788	2.9
592.62042	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	617.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07619	1.1
55.37876	1.1
59.01373	2.0
69.85265	3.6
69.85666	1.6
70.85329	1.1
80.88633	1.2
82.02983	6.6
90.09016	1.1
92.04099	1.0
93.11968	1.1
98.19937	1.1
106.17840	1.0
108.04514	1.2
112.04025	2.2
112.46691	1.1
120.04538	4.0
136.07700	1.7
139.02863	1.1
147.03197	2.2
148.04047	22.0
149.04825	9.4
150.05591	23.0
150.09216	4.4
154.05083	3.1
159.08139	1.0
160.04034	2.9
161.04808	8.1
162.05534	3.3
163.02750	2.5
164.03539	7.9
173.03517	10.7
174.04324	29.4
174.05652	1.9
175.05135	6.1
175.06413	6.0
186.05591	2.5
187.06410	1.6
188.07152	1.9
189.06664	15.2
190.05000	1.8
190.07455	35.7
191.08168	3.7
195.05244	1.1
200.07112	2.9
201.07913	5.6
202.07372	3.7
202.08910	2.5
203.05981	1.6
203.08185	2.7
204.10284	1.1
213.06625	1.5
213.10237	1.2
214.11163	2.8
215.08231	1.8
217.07484	2.4
217.09628	2.4
228.06627	3.7
231.07719	12.5
232.08493	41.2
233.09181	6.0
240.08820	1.3
241.09732	1.8
242.08220	3.0
242.10622	3.6
243.07736	3.5
244.08281	13.2
245.09204	4.2
256.08154	1.1
261.08603	1.2
262.09540	3.0
268.08487	2.2
285.08719	3.6
286.06845	1.6
286.09738	8.6
287.10535	1.3
289.09509	2.8
299.14001	13.2
303.09775	3.5
304.10663	5.6
324.13519	6.8
325.11856	1.9
337.10529	2.7
344.98248	1.3
353.15002	2.4
382.17676	39.0
383.17752	3.4
393.18369	2.0
394.17548	8.0
395.15906	2.2
408.15585	1.7
412.18604	5.3
418.17505	2.7
436.18704	19.7
437.17346	6.8
449.15732	2.6
454.19809	100.0
455.20166	10.5
467.16931	6.8
487.19772	1.5
514.43469	1.3
545.24017	4.3
599.24982	4.6
617.26086	17.5
618.26178	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09846	1.2
59.01375	2.1
69.32881	9.7
72.25755	1.1
82.02978	8.7
96.04561	1.4
108.04558	1.4
112.04021	2.4
119.03834	1.3
120.04549	3.8
121.04053	1.4
122.02461	1.4
124.04047	1.4
129.05566	1.9
136.07666	4.3
138.05640	2.2
139.02849	1.5
141.27505	1.2
147.03288	3.8
148.04056	33.1
148.05237	1.7
149.04837	15.6
150.05621	39.3
150.09239	9.2
154.05093	3.7
160.04010	3.3
161.04829	10.1
162.05579	4.6
163.02710	4.2
164.03564	9.1
167.39961	1.4
173.02206	1.6
173.03540	12.9
173.04854	2.4
174.04346	38.8
174.05588	1.8
175.02760	1.7
175.05151	9.0
175.06427	8.3
176.05780	1.5
177.06670	1.7
184.34065	1.2
186.05576	3.5
187.06392	4.4
188.07172	3.5
189.06677	19.6
190.07472	51.5
191.05945	2.2
191.08183	6.5
200.07092	5.4
201.07948	6.6
202.07463	6.7
202.08917	3.4
203.05890	1.5
203.08188	2.7
213.06548	1.2
213.10301	2.1
214.09242	1.2
214.10930	5.7
215.08209	3.6
217.07472	3.5
217.09795	3.4
218.10353	1.5
219.11548	1.2
224.07155	1.5
227.09680	1.7
228.06641	4.2
231.07732	17.2
232.08517	56.5
233.09242	8.2
242.08273	4.0
242.10551	2.5
243.07701	4.2
243.09236	1.2
243.11282	1.9
244.08148	14.3
245.06976	1.5
245.09213	6.9
246.07690	1.8
247.08406	1.5
259.10788	2.7
262.09552	4.1
267.07724	1.7
268.08423	2.3
271.08389	1.3
285.08786	5.2
286.09674	10.9
287.07739	1.5
287.10483	1.7
289.09442	3.5
297.12354	1.6
299.14063	16.0
303.09827	3.7
304.10507	4.0
305.11166	2.4
318.11993	1.5
324.13400	8.0
325.11911	1.8
337.10645	2.7
353.14978	1.3
382.17712	42.3
383.17957	4.2
393.17908	1.9
394.17734	10.0
395.15619	2.1
410.20743	1.2
412.18622	4.8
418.17725	2.8
436.18710	24.1
437.17044	6.7
449.16101	2.3
454.19818	100.0
455.20309	8.0
467.16998	8.8
545.24170	4.1
552.57867	1.2
575.24927	2.1
599.24988	4.6
617.26141	19.6
618.26794	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.8
61.01746	0.8
61.98821	2.5
65.03339	0.7
68.43410	0.7
71.01351	1.0
90.06931	0.6
98.19824	1.0
122.09762	1.6
132.08546	0.7
134.06117	1.3
135.06929	0.8
136.07687	6.2
149.04782	0.9
150.09239	23.5
161.07202	2.5
162.05522	1.4
164.03503	1.5
166.05115	1.1
167.05827	1.8
173.07253	1.4
173.89127	0.8
176.10799	3.3
187.08749	4.6
189.10349	2.0
193.92412	5.7
194.08238	0.9
198.09312	1.2
199.08742	3.8
200.09528	3.5
201.10262	1.9
203.40230	0.8
211.08772	1.0
212.09488	0.8
213.06714	3.7
213.10362	6.3
214.07285	1.2
214.11047	6.3
215.08400	7.9
215.11859	36.9
216.12140	1.3
220.09782	2.0
223.08749	2.9
226.07419	1.9
227.08295	1.0
231.07713	1.0
232.08365	0.9
233.09328	2.0
239.08244	4.9
240.08992	1.6
241.09813	100.0
242.10439	7.5
243.11247	1.7
244.08395	1.2
253.04518	1.5
257.09283	2.2
259.10870	14.0
267.07697	2.6
268.08417	5.0
269.09271	1.1
285.08786	21.3
286.06662	0.8
286.09570	10.2
303.09848	65.9
304.10278	4.0
331.18106	3.9
346.19296	0.9
372.17258	1.4
374.18646	1.3
375.17068	8.5
390.18085	0.8
392.19550	1.7
393.18192	6.0
418.17606	4.1
436.18738	35.2
437.17642	5.1
454.19821	95.5
455.20209	8.3
466.16055	14.0
466.22266	1.0
467.16382	1.0
599.25012	1.9
617.26025	25.2
617.36212	1.5
618.26318	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44926	0.8
53.71370	0.8
54.14059	0.9
59.01377	1.5
60.87955	0.7
62.51538	0.8
64.64707	0.7
65.15936	0.7
69.68658	3.5
69.69067	1.7
70.88593	0.7
71.01117	0.8
82.02979	6.7
91.94749	0.9
105.54958	0.8
108.04520	1.1
109.89624	0.9
112.04030	1.0
120.04548	2.8
120.66598	1.0
124.04011	1.0
129.05507	0.8
136.07680	2.3
147.03264	1.9
148.04042	20.0
149.04813	9.7
150.04465	1.6
150.05600	23.6
150.06801	1.3
150.09224	5.4
154.05075	3.8
160.04015	3.0
161.04846	7.7
162.05602	1.7
163.02751	2.7
164.03508	6.7
164.07030	1.1
173.03549	9.5
173.04840	1.6
174.04323	24.5
174.05620	1.5
175.05017	5.3
175.06422	4.5
175.42674	0.9
176.10832	0.8
177.06616	1.2
186.05550	1.2
187.06345	2.7
188.07138	1.3
189.06668	13.5
190.05023	1.2
190.05600	1.3
190.07466	28.4
191.08090	3.2
194.96223	1.0
200.07121	2.7
201.07962	4.8
202.07397	3.2
202.08780	3.4
203.08183	1.9
213.06685	2.3
213.10167	1.3
214.11099	4.5
215.08263	1.6
215.11836	1.7
216.06741	1.3
217.07318	2.9
217.09792	2.5
224.06938	1.0
228.06631	2.7
231.07718	13.1
232.08511	42.0
233.09250	6.2
241.09813	8.0
242.08150	3.6
242.10521	2.6
243.07744	4.4
243.09222	0.9
243.11250	1.2
244.08205	10.1
245.06882	1.5
245.09227	4.8
246.07687	2.0
259.10840	2.4
262.09506	2.5
267.07669	1.6
268.08517	1.9
285.08850	4.7
286.09631	9.0
287.07767	1.0
289.09485	3.2
294.09930	0.9
299.13959	10.7
303.10028	5.1
304.10574	4.1
324.13531	5.3
325.11905	1.6
337.10614	1.9
340.16663	1.1
352.16321	1.1
382.17682	36.6
383.17694	1.5
393.17993	3.3
394.17642	7.2
395.16113	1.5
412.18677	4.6
418.17703	2.7
436.18723	16.9
437.17111	6.5
438.17105	1.6
438.73795	1.1
449.15726	2.1
454.19806	100.0
455.20276	5.6
467.17047	6.3
468.17249	1.1
545.23944	3.0
575.25543	1.2
599.24634	4.0
617.26135	20.0
618.25928	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	1.3
59.01361	2.5
60.49400	1.1
61.98833	2.0
71.01383	1.8
71.52432	1.8
78.95895	4.3
83.01405	1.4
85.02959	7.9
87.04507	25.7
96.96018	15.7
96.96986	4.0
98.14347	1.4
101.06071	2.3
105.96230	1.3
113.02447	5.0
117.74038	1.1
167.22353	1.2
201.05504	1.6
258.19424	1.4
265.37213	1.5
290.55432	1.3
315.06506	1.2
325.08716	1.2
343.06000	7.3
356.06808	1.8
357.07684	1.6
358.04880	14.0
359.04785	2.0
361.54269	1.3
368.06876	1.5
369.07684	9.7
370.08441	75.4
371.09070	18.9
373.07022	2.4
375.05219	7.0
386.08151	2.3
387.08801	2.0
389.06485	2.1
397.07190	17.1
398.08093	2.9
403.08102	7.6
415.08221	86.7
416.08734	6.4
429.09644	1.4
457.09332	8.6
500.86020	1.5
501.12344	1.7
529.11383	21.6
617.16583	100.0
618.16968	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	617.261
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	9.9
61.98830	1.4
66.34592	1.0
67.78259	1.0
68.14865	1.1
69.48465	5.6
69.48874	2.0
71.01382	5.1
72.57900	1.0
73.02947	2.1
82.02985	5.5
83.01397	1.2
85.02968	2.4
87.97607	1.1
88.98793	1.8
90.30238	1.2
96.95996	1.8
99.00922	1.4
101.02460	3.3
108.04543	1.6
109.02948	1.2
112.04022	1.5
113.02518	1.7
115.00397	1.3
116.92857	2.2
120.04544	3.0
122.06107	1.3
133.01428	2.7
135.03136	1.5
135.04568	2.6
136.07674	4.2
137.02440	2.1
146.03685	1.5
146.04857	1.3
148.04042	20.3
149.04842	11.1
150.05611	29.9
150.09254	7.1
154.05150	3.2
160.04100	1.2
161.04828	6.9
162.05545	2.2
163.02776	2.3
163.05165	1.4
164.03564	6.2
172.07652	1.2
173.03525	7.5
173.04851	2.5
174.04330	28.0
174.05757	2.1
175.05098	6.3
177.01935	1.5
178.02672	1.5
178.08733	7.4
186.05510	1.8
187.06279	1.4
189.06677	11.3
190.04947	2.2
190.05574	1.5
190.07466	27.2
191.08185	3.4
195.98625	1.1
200.07172	3.1
201.07986	6.0
202.07443	4.3
202.08899	3.5
203.05803	2.3
203.08240	1.8
213.06644	1.3
214.11060	2.2
215.08150	1.8
217.09776	2.1
229.27457	1.0
231.07761	16.0
232.08525	33.4
233.09251	5.2
235.07245	2.2
241.09781	2.2
242.08234	2.1
242.10497	1.1
243.07718	5.3
244.06038	2.6
244.08435	30.0
245.06979	1.7
245.09229	10.3
246.07593	5.1
259.11023	1.9
262.09525	2.9
285.08823	3.3
286.09653	7.3
297.12476	1.6
299.14041	12.0
303.09857	2.3
304.10437	2.5
324.13541	5.9
340.16711	1.2
353.15033	1.3
376.13147	2.8
377.13516	1.5
382.17679	30.7
383.18018	1.9
393.18488	2.6
394.17700	32.0
395.16382	3.6
412.18826	3.6
418.17792	2.0
431.14404	1.1
436.18683	16.1
437.17087	5.9
438.16739	10.7
439.17542	1.2
449.16086	1.6
454.19827	100.0
455.19958	7.4
467.16922	4.8
480.17752	1.5
545.23920	1.7
557.30511	1.5
573.28314	2.6
581.23792	4.8
599.24884	7.4
617.25964	25.4
618.26880	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	616.37
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74364	0.6
61.98830	100.0
69.79735	1.4
69.80154	2.1
72.24242	0.5
83.60643	0.6
88.02128	0.6
90.44241	0.6
105.28331	0.6
113.41552	0.6
120.58334	0.6
179.10776	1.1
197.11848	2.1
255.23340	2.7
317.51807	0.6
553.37170	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	615.33
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43492	1.5
59.01378	10.5
61.98815	2.4
68.16624	1.6
69.18144	11.3
69.18577	7.3
78.95901	29.1
80.96503	1.8
96.96930	2.2
97.02940	9.0
98.20772	2.6
99.41211	1.7
109.06584	2.1
110.03741	1.7
110.98519	20.4
119.08622	2.9
121.10222	15.6
123.04542	2.7
127.37850	1.7
129.44675	1.7
129.48724	1.7
136.05261	3.1
142.02705	3.5
143.45529	1.9
147.08125	7.6
152.99553	7.1
165.09212	59.0
167.01147	10.1
183.10231	4.4
190.04384	1.8
191.07109	3.9
209.06172	3.6
209.08189	72.5
209.11737	3.1
215.13606	1.8
255.23303	100.0
256.23593	4.5
279.23343	3.3
281.24750	3.5
423.25189	21.6
485.08066	1.8
515.56354	2.1
615.32941	32.6
616.33136	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	616.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87990	0.8
59.01374	25.6
61.98827	100.0
70.38508	1.2
70.38860	2.6
71.01363	2.4
73.95561	0.7
85.02948	1.0
89.02422	0.9
100.46655	0.7
101.02402	1.7
113.02449	1.9
113.49143	0.9
135.04486	0.9
176.67137	0.8
203.74954	0.8
241.09796	1.8
454.20187	1.5
467.29956	2.4
509.30319	1.1
580.26666	1.0
601.04065	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2462
Annotation	7-Acetyl-11beta-acetoxydihydronomilin
Peak:m/z	Relative Intensity
55.15520	11.2
59.01378	100.0
61.98819	65.0
65.79282	10.0
70.37759	36.8
71.01381	22.4
73.02956	11.9
79.96632	9.1
83.01430	11.6
85.02977	11.3
93.74392	9.6
96.96026	12.2
98.20669	13.2
101.02461	16.6
101.70392	9.1
113.02481	15.8
113.83984	11.2
116.92888	20.1
117.23778	9.8
122.06127	14.8
135.04567	20.8
148.03989	35.3
149.04829	21.4
150.05617	78.3
160.54108	9.6
161.04654	15.0
162.05602	15.5
164.03412	13.4
173.07213	13.2
191.03413	11.7
200.07239	26.3
211.13403	15.3
214.08849	17.1
215.08276	35.9
231.11401	17.5
240.41350	11.3
243.07727	34.2
256.08658	12.2
257.09375	15.9
299.14102	67.0
300.14673	11.2
335.13995	17.5
336.09924	26.3
337.15408	13.3
350.11371	48.5
351.11951	15.9
352.42313	11.7
378.14392	25.3
385.71109	13.0
405.13159	15.3
422.13278	15.0
423.14310	21.5
465.15417	38.4
501.21301	12.5
515.23114	20.6
529.24451	52.6
553.24518	24.5
554.23273	12.9
555.22650	50.9
571.25714	26.4
573.23358	64.8
597.22858	13.4
615.24316	66.2
615.40112	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	614.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49734	0.6
61.98832	100.0
70.17220	2.0
78.95899	3.7
96.97047	0.7
152.99574	3.2
154.92363	0.6
255.23401	1.4
310.95596	0.7
353.32562	0.8
538.23059	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32623	1.6
55.74337	1.6
61.98833	8.3
66.62712	1.5
69.56378	1.7
69.59644	11.6
71.01373	15.9
71.01659	1.4
71.51649	1.4
79.94257	1.6
96.96018	4.0
98.20564	2.0
115.00367	24.8
119.05019	40.5
133.01434	47.3
135.04518	7.1
163.04008	100.0
179.03511	2.0
181.05008	1.7
279.05212	5.7
299.23984	2.1
335.07782	2.7
393.13394	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	615.1369
Annotation	Unknow
Peak:m/z	Relative Intensity
58.94233	0.5
59.01382	4.6
59.40115	0.5
61.98840	2.9
67.34086	0.5
69.38430	3.5
71.01389	8.5
72.99308	1.2
73.02933	0.8
79.95732	8.7
80.96518	6.1
83.01371	0.7
84.18991	0.6
85.02956	1.1
87.00856	3.6
89.02431	1.5
93.65781	0.5
96.96014	46.3
98.19888	0.6
101.02440	4.0
101.94088	0.5
109.02965	1.1
109.06598	0.7
113.02451	2.5
115.00377	12.4
119.05003	0.9
121.02957	2.2
133.01431	24.0
133.02985	2.3
134.03738	0.8
135.04509	6.0
137.02408	0.7
137.06058	2.7
138.97073	2.8
145.02910	0.6
145.06194	0.6
147.04520	0.5
149.06104	0.5
150.97029	0.8
166.96619	4.3
174.01811	1.4
174.03233	3.7
177.01962	1.6
177.05591	0.7
179.03496	3.1
181.05095	6.3
187.07597	1.3
196.05292	1.1
200.04788	1.4
201.09183	1.3
202.06371	1.0
211.07622	2.2
213.09248	0.9
215.10728	0.9
229.08714	6.4
231.10193	1.7
241.00229	100.0
242.00562	1.9
255.06636	5.9
256.07294	1.4
257.08261	1.2
259.09805	1.0
267.06586	1.4
269.08167	2.4
273.07742	2.1
275.09268	1.0
277.10773	1.8
280.07434	0.7
281.08163	0.7
283.09595	1.5
295.09680	0.6
311.09241	1.8
321.10980	1.4
328.09543	0.9
340.09573	3.5
343.11829	5.4
349.14587	0.9
355.12054	2.6
359.25668	0.7
373.12918	0.9
393.13507	1.9
411.14722	4.3
437.12393	4.3
455.13495	1.2
481.39151	0.6
521.01569	0.6
548.67285	0.7
587.18036	0.7
615.14124	8.5
615.24707	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.88256	1.3
69.44321	1.3
69.44691	10.3
78.95915	9.6
85.28742	1.4
94.37386	1.3
96.96986	1.6
104.32591	1.4
105.20891	1.2
152.99582	10.4
182.27640	1.7
215.84720	1.4
237.67914	1.9
255.23250	5.0
256.23627	2.5
314.90549	1.3
315.14575	6.9
316.14767	1.6
335.98245	1.7
362.89877	1.7
379.11447	2.4
488.26688	1.6
502.60959	1.4
551.35883	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	611.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.1
61.98829	2.3
69.73621	2.7
71.01382	1.0
93.93377	0.6
105.30894	0.7
106.04241	0.5
107.05025	1.0
115.00405	0.7
120.42251	0.5
121.02938	1.1
126.21629	0.5
132.02159	1.6
133.01465	0.7
133.02954	26.2
134.03740	9.6
135.04527	52.5
136.04901	1.3
137.02448	6.0
139.03995	2.6
150.03218	1.0
151.04070	0.5
161.02440	79.8
162.02795	2.1
178.02747	3.3
179.03494	25.8
232.56905	0.5
431.24368	10.1
449.25412	46.4
450.25934	3.4
479.26340	0.6
540.58844	0.7
611.28534	100.0
612.29041	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	613.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80289	0.7
61.98833	0.8
70.46542	0.7
71.01382	18.6
72.99315	4.7
76.42159	0.8
89.02455	1.6
94.08272	0.8
96.95998	0.6
112.98592	1.4
115.00376	51.2
117.03539	1.0
125.02443	0.8
133.01431	100.0
133.03033	3.3
134.01755	1.3
134.03741	17.7
135.04527	69.4
136.04829	2.6
136.98570	8.7
137.02460	1.0
149.02420	0.8
154.99632	7.4
161.02463	10.3
163.03983	1.2
175.02550	1.4
177.01871	0.8
179.03500	69.5
180.03862	2.2
187.02248	0.7
189.01688	12.3
201.01691	86.0
202.02097	2.5
219.01563	1.5
229.08588	0.9
252.99590	1.3
271.00705	2.8
273.03952	11.3
289.01859	2.0
295.04556	4.3
317.02771	69.0
318.03128	3.7
325.26968	0.7
335.03912	3.7
365.14096	1.1
409.13290	1.3
421.18289	0.7
433.03882	1.1
451.05093	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	614.282
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	37.9
61.98833	100.0
71.01390	9.3
71.52181	1.5
73.02943	6.7
79.40902	1.3
83.01404	2.1
83.06181	2.4
85.02943	1.5
87.00845	1.5
89.02454	2.5
99.67873	1.1
99.92591	1.5
101.02458	9.1
102.43652	1.1
102.81493	1.0
113.02451	3.4
115.92088	1.8
116.92853	4.6
118.98106	1.7
133.01442	2.4
133.02966	1.6
135.04517	2.8
148.04070	1.8
149.04587	2.4
150.05574	1.4
159.05905	1.7
161.04631	3.9
173.03487	2.3
174.04292	2.5
200.07166	2.1
243.07674	1.9
393.18503	1.9
394.18127	1.7
454.19836	2.5
465.15283	2.4
543.22211	2.4
615.24316	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00453	0.8
59.01389	1.7
61.98831	29.1
70.86187	1.7
70.86521	1.3
71.01376	1.6
80.33332	1.0
91.20440	0.7
96.96046	1.0
101.02445	1.3
115.00371	1.3
119.04987	1.4
133.01433	2.4
214.08748	13.4
258.46655	1.1
268.13397	12.6
277.10788	1.4
284.16742	1.2
300.16046	100.0
301.16360	4.4
314.17941	1.0
342.17139	8.6
507.74997	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05775	0.7
58.86037	0.7
59.01387	1.5
61.98832	9.7
67.05775	0.7
71.01373	1.5
71.52039	0.9
74.23094	0.8
79.95730	4.7
96.96012	78.2
113.02428	0.9
127.67978	0.8
133.01440	2.1
135.04549	0.9
145.02974	2.3
175.04025	0.9
177.01918	3.0
202.43031	0.8
210.36353	0.8
221.00879	3.7
227.03508	1.1
255.02908	2.6
271.02405	1.2
284.03137	1.7
289.11145	100.0
290.11520	4.2
300.03009	1.1
301.03015	1.3
302.03339	1.9
429.85510	0.8
477.07977	1.4
538.13684	1.8
611.15100	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	609.343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67547	0.5
53.51621	0.6
59.83639	0.6
61.98821	1.3
98.19855	1.5
117.03465	35.1
119.05025	46.8
120.05381	0.8
121.02956	8.4
123.04502	3.2
127.75136	0.7
133.02957	2.1
134.03743	1.1
135.04549	0.8
139.07690	1.0
143.13899	0.7
145.02950	88.4
146.03270	2.9
162.03188	2.0
163.04007	24.0
164.04379	0.8
200.96268	0.6
212.26738	0.8
374.19199	0.6
401.31198	0.7
424.10910	0.7
445.29541	21.3
446.29965	1.5
463.30469	7.3
609.34296	100.0
610.34583	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	609.5099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01354	9.5
61.98820	41.2
71.51637	13.1
74.93666	9.0
78.95895	32.8
109.06583	25.2
123.50258	11.0
143.07233	9.6
152.99573	25.7
199.29010	8.2
255.23216	32.2
279.23328	100.0
310.67612	9.5
609.34399	18.2
622.34473	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	609.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	6.8
59.01379	74.7
69.03436	6.0
69.22868	40.3
71.01382	52.8
73.02935	7.2
79.06739	3.7
83.01382	11.1
85.02957	30.0
87.00874	4.7
89.02448	4.4
91.55493	4.1
94.53564	3.8
95.01392	10.3
97.02910	8.3
101.02449	20.6
106.03886	4.6
113.02475	20.8
115.03968	3.9
124.01617	10.6
125.02444	24.8
143.03465	13.7
161.04526	4.5
228.84944	3.9
254.03746	4.8
287.22253	33.3
327.90591	3.8
399.16946	4.1
413.25690	4.2
431.26440	100.0
432.26785	8.8
449.27490	28.1
465.28513	11.3
473.27573	81.5
474.27795	11.7
491.28641	27.7
506.76178	4.1
556.35541	4.0
609.32764	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	609.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04275	2.3
56.22264	2.6
57.03478	2.3
59.01382	100.0
60.99299	2.9
61.98832	18.9
62.15516	2.4
67.11046	2.3
69.03456	2.6
69.81090	8.7
69.81502	4.6
71.01377	27.1
73.02955	14.8
78.95886	2.6
79.01925	2.3
79.95751	3.8
80.96507	17.7
83.01394	3.6
85.02943	10.6
86.63490	2.6
87.00855	2.6
88.98798	10.8
89.02438	5.3
94.98093	3.3
96.95978	3.9
101.02452	19.5
113.02444	11.5
115.00462	2.3
115.92025	2.0
119.03456	3.6
130.49496	2.4
133.01390	3.4
135.04489	3.4
147.90112	2.6
161.04593	2.4
163.03955	4.4
164.98677	2.6
171.98448	2.4
225.00667	6.5
279.55820	2.4
280.62283	2.5
324.77661	2.7
360.28406	4.5
361.28604	5.0
386.90280	2.6
413.25476	5.4
431.26508	3.4
455.26309	8.5
473.27338	3.8
534.99109	2.8
553.73846	2.6
591.27557	3.4
609.25494	31.6
610.26697	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53695	3.3
59.01379	100.0
66.18410	3.6
69.31040	33.1
71.01382	34.7
73.02955	9.7
75.23800	3.6
78.95886	3.7
80.95319	3.2
85.02961	15.2
89.02448	4.4
96.96024	8.7
101.02425	18.7
113.02452	11.8
116.92877	18.3
119.03519	4.3
124.01657	5.5
125.02454	8.0
128.51593	3.4
135.04591	4.3
161.04625	6.2
192.62692	3.8
238.69272	4.0
269.21259	4.4
287.22321	40.1
321.93826	4.2
329.23459	4.0
406.23044	9.0
413.25378	6.2
427.23517	10.2
431.26379	94.8
432.27029	6.2
449.27435	31.8
473.27490	90.5
474.27896	7.6
491.28687	24.5
609.14734	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	609.2696
Annotation	Scortechinone P
Peak:m/z	Relative Intensity
53.96466	1.3
59.01374	3.3
61.98817	3.1
71.01373	2.8
81.82481	1.3
86.22520	1.3
87.00862	2.0
101.02434	1.5
117.03464	1.7
127.05861	1.2
133.02965	27.6
134.03755	14.1
135.04529	75.6
136.04822	2.2
137.02444	5.3
143.37660	1.2
147.49931	1.2
161.02437	100.0
162.02776	1.9
178.02687	1.6
179.03496	34.3
249.18535	2.8
296.74023	1.6
319.11292	1.5
323.09787	3.1
341.10818	3.1
429.22827	8.6
447.23886	41.6
448.24146	3.9
468.99445	1.4
577.19989	2.3
586.02814	1.5
591.72980	1.6
609.27051	94.3
610.27649	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16589	0.3
59.01369	0.6
61.98859	0.4
63.02379	0.4
65.00333	0.6
65.42744	0.3
83.01370	0.4
92.48888	0.3
107.01391	1.2
107.31062	0.4
108.02168	1.3
115.00382	0.5
121.02961	1.1
125.02445	0.5
133.01459	0.5
135.00909	0.7
148.01660	1.3
151.00365	6.4
163.00378	0.8
174.33679	0.4
178.99863	4.2
199.04044	0.8
203.03482	0.4
208.57994	0.4
215.03508	1.0
216.04289	0.8
223.73979	0.4
226.02783	1.4
227.03511	2.6
238.95673	0.4
243.02974	10.6
244.03621	0.8
254.02229	2.2
255.02977	26.2
256.03342	0.9
271.02472	56.7
272.03024	3.3
273.03894	0.5
292.00122	0.3
299.02017	2.9
300.02737	100.0
301.03372	10.0
325.03470	0.5
355.04489	0.6
411.07321	0.5
447.09421	0.5
609.14594	86.6
610.14948	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	609.1462
Annotation	Quercetin-3-O-beta-glucopyranosyl-7-O-alpha-rhamnopyranoside
Peak:m/z	Relative Intensity
54.77981	0.6
56.87206	0.6
57.06559	0.7
59.01373	0.8
63.02393	1.0
65.00342	1.1
70.31563	2.0
70.31911	0.9
72.70035	0.7
76.22801	0.7
83.01419	0.7
83.33080	0.7
86.34618	0.7
93.03469	0.9
107.01404	2.1
109.02953	2.1
113.02450	1.0
117.03445	0.9
118.15101	0.7
119.01411	0.6
121.02930	2.1
125.02448	1.0
133.02988	1.3
133.06032	0.7
133.09711	0.7
134.03775	0.7
135.04503	1.5
137.02451	1.1
149.02406	1.1
151.00374	11.6
159.04500	0.8
171.04471	1.0
175.00359	1.8
175.03989	1.2
177.01979	1.4
178.99756	1.1
183.04472	1.4
187.04030	1.9
189.05458	0.7
194.16249	0.9
199.04001	4.0
201.01962	1.4
203.03497	0.8
211.04030	3.0
215.03531	1.3
217.01552	0.9
226.02629	1.7
227.03494	6.6
227.07065	0.7
229.04959	0.8
239.03465	1.2
243.02974	5.1
255.02971	24.7
256.03549	1.6
271.02466	48.4
272.02902	2.1
275.64194	0.7
281.04449	0.8
283.02478	46.8
284.03146	7.1
285.04019	39.1
286.04504	2.0
297.04068	1.3
299.01959	80.5
300.02631	14.2
301.03519	70.1
302.03885	1.6
309.04022	5.8
313.03458	1.4
327.04971	2.0
343.04468	1.9
353.02872	1.9
420.92212	0.7
446.08466	9.6
447.09280	46.5
448.09708	2.0
462.08066	24.7
463.08786	29.1
464.09088	1.0
489.10663	3.3
609.14594	100.0
610.14783	7.3
613.77722	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02680	0.3
50.23862	0.3
54.42083	0.3
63.02390	0.6
65.00320	1.5
83.01392	1.1
83.15341	0.3
93.03465	0.4
98.20711	0.6
100.65893	0.3
107.01374	2.7
108.02177	1.5
109.02938	1.5
116.70035	0.3
119.01439	0.4
121.02925	1.7
125.02405	0.4
133.84087	0.4
135.00899	0.8
137.02406	0.4
148.01646	1.7
150.99188	0.7
151.00369	11.2
151.01590	0.6
163.00368	1.9
163.04021	0.4
164.01099	1.2
171.04475	0.4
178.99869	6.1
183.04468	0.5
187.03871	0.5
189.01924	0.4
192.00591	0.5
198.03250	0.4
199.04033	0.7
201.05481	0.5
211.04042	1.4
215.03442	0.4
216.04274	0.7
217.01337	0.6
226.02763	2.0
227.03540	3.6
229.04974	0.9
239.03540	0.6
243.02983	10.5
244.03664	0.6
245.04527	1.2
254.02309	2.3
255.02977	28.1
256.03476	1.7
266.02304	0.4
271.02469	61.8
272.03012	4.0
273.04047	1.0
283.02487	1.3
299.01947	1.2
300.02740	98.6
301.03482	39.4
302.03873	1.7
309.04062	1.6
343.04501	0.7
353.03131	0.8
355.13995	0.4
399.19135	0.3
438.00394	0.4
447.09326	0.6
463.08344	0.5
609.14581	100.0
610.14886	8.8
623.37933	0.4
629.59052	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25975	0.4
59.01380	4.0
60.93625	0.4
61.98831	100.0
69.04095	0.4
69.70888	2.7
71.01388	2.1
73.02939	1.0
78.03745	0.5
80.96581	0.4
81.03468	1.3
95.05007	0.4
96.96047	0.5
98.20629	0.9
101.02469	1.3
110.34973	0.5
113.02519	0.7
125.02487	1.4
134.03714	0.5
135.04572	0.7
151.31441	0.5
159.04686	0.5
212.45305	0.4
249.17711	0.6
341.39291	0.5
355.19287	0.7
357.00278	0.5
373.20514	1.1
609.28741	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.5
63.02401	0.9
65.00317	1.3
67.11722	0.2
71.01371	0.4
83.01402	1.0
91.01872	0.3
93.03465	0.5
95.01411	0.3
96.95983	0.3
99.84872	0.3
107.01400	3.2
108.02167	1.9
109.02964	1.5
115.00381	0.3
115.16299	0.2
119.01389	0.5
121.02945	1.7
123.00920	0.4
124.01675	0.4
125.02415	0.6
133.01398	0.3
133.03009	0.3
135.00900	1.3
135.04512	0.3
137.02435	0.7
147.00903	0.3
148.01645	1.8
149.02466	0.6
151.00374	12.9
152.01138	0.3
159.04451	0.4
161.02463	0.4
163.00391	3.5
163.03999	0.4
164.01131	0.9
165.01849	0.3
169.01381	0.5
177.01952	0.5
178.99873	6.6
179.03497	0.3
183.04524	0.7
185.06172	0.3
187.03998	0.5
189.01933	0.4
190.99974	0.2
192.00650	0.5
193.06841	0.3
196.31419	0.2
198.03072	0.3
199.03964	0.9
201.01923	0.4
201.05510	0.4
208.68018	0.2
211.03995	1.6
211.05841	0.3
213.02016	0.3
215.03528	0.7
216.04169	0.7
217.01378	1.6
226.02739	2.1
227.03470	3.7
229.01326	0.2
229.05042	0.7
229.48575	0.3
237.05560	0.8
239.03615	0.5
243.02974	12.2
244.03508	0.8
245.04497	1.4
253.05006	0.5
254.02158	2.3
255.02975	31.5
256.03497	1.2
257.04517	0.3
265.04938	0.4
271.02466	66.5
272.02951	4.2
273.04047	1.0
281.04407	0.6
283.02533	1.2
299.01941	1.9
300.02731	95.1
301.03473	38.1
302.03729	1.6
309.03995	5.6
310.04474	0.3
311.05313	0.5
335.01874	1.0
343.04538	1.1
353.03094	2.3
354.03372	0.3
355.04559	0.9
427.28336	0.3
447.09238	1.1
459.01526	0.3
609.14563	100.0
610.14874	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	607.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50484	2.8
57.03462	3.4
59.01379	100.0
59.48619	2.7
65.47356	2.7
67.13866	2.9
68.99567	6.2
71.01384	32.5
71.51443	2.8
73.02953	9.9
73.39375	2.7
81.18777	2.8
83.01397	5.1
85.02954	11.7
89.02456	10.5
95.01380	3.5
96.96010	3.7
99.00857	4.3
101.02438	16.6
104.74749	3.0
112.98588	4.4
113.02476	17.9
119.03497	6.1
124.01606	4.0
161.04504	7.6
179.05742	3.8
341.26825	4.1
359.28058	11.1
408.93207	3.4
503.32333	76.7
504.32355	8.7
521.33197	32.0
537.48157	3.3
563.33850	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68330	3.5
59.01379	100.0
69.22974	34.7
71.01379	35.9
73.02947	13.9
78.90372	3.6
85.02945	15.5
86.93224	3.3
87.00851	4.6
89.02437	15.1
90.48668	3.2
95.01389	4.8
95.79559	3.5
99.00893	5.2
101.02431	26.9
113.02440	27.7
118.04333	3.7
119.03477	11.2
143.03519	7.1
150.62422	3.8
161.04590	18.1
173.92557	3.7
179.05580	8.1
187.53491	3.7
205.46988	3.4
213.14865	4.2
229.18060	13.3
341.27048	9.4
359.28113	12.9
503.32266	76.4
521.33081	23.2
563.34167	4.6
566.86523	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	607.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35530	1.3
57.03432	3.9
59.01377	36.4
61.98832	28.3
71.01386	9.1
71.52594	1.5
73.02940	4.8
78.73885	1.3
78.95907	3.0
80.38958	1.3
83.01376	2.7
85.02942	3.4
88.98787	1.6
89.02431	2.7
101.02431	6.3
113.02421	4.4
113.09661	1.8
125.02374	2.2
131.54300	1.4
135.04530	1.5
135.96817	1.5
141.12814	2.5
143.03531	1.3
161.04524	2.5
169.12314	1.6
185.15424	4.5
229.18048	4.6
237.76956	1.4
341.26697	3.9
359.28006	100.0
360.28143	7.2
383.28049	9.1
487.32785	12.1
505.33871	2.9
563.34332	2.7
607.25812	2.4
607.36908	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	607.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56637	5.2
53.45005	5.9
53.64474	5.9
58.51262	6.0
59.01378	52.9
61.73288	5.4
61.98811	7.3
69.63047	20.3
69.63475	16.1
71.01369	25.7
73.02930	8.7
73.67615	6.6
80.19535	5.3
89.02473	9.5
101.02416	15.0
115.00274	7.4
209.11891	12.4
262.59894	5.8
311.09375	11.8
326.11465	9.8
327.12396	9.9
327.69061	6.3
341.13721	9.9
350.37958	5.7
375.83813	5.9
377.95984	6.1
415.14709	7.1
488.16223	8.2
503.19165	100.0
503.32269	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	607.203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90723	6.1
61.04464	5.8
61.55708	5.4
66.03476	5.6
69.68398	24.2
71.01381	5.9
72.48360	5.7
82.16842	5.4
86.31439	6.7
121.02924	6.4
125.02466	38.5
161.02432	11.5
165.05316	6.0
172.07016	6.5
190.99739	5.6
267.06387	6.5
269.08115	23.2
281.04446	5.9
281.07877	6.2
283.09610	8.1
299.09357	20.8
311.09244	17.5
314.11703	33.4
326.11572	16.3
329.13934	100.0
330.14499	7.1
332.75751	6.0
341.13898	46.5
433.09070	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.4587
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	10.1
61.98831	100.0
89.59245	2.1
98.19918	4.3
105.17711	2.0
106.89499	2.0
117.03460	8.3
118.03767	2.7
119.05024	9.1
139.51666	2.0
145.02945	21.5
146.03308	7.1
153.20428	2.0
163.03976	4.9
164.04462	2.4
442.26431	4.4
527.58453	2.6
606.31738	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	7.6
62.74507	1.0
69.85442	3.9
71.01374	1.8
77.47565	0.9
88.98808	1.0
89.02456	1.9
92.34619	1.1
96.96011	3.6
98.20631	2.0
101.02481	1.6
113.02422	2.4
113.81755	0.9
117.98935	1.1
140.51233	0.9
143.99080	1.0
145.02927	1.2
207.18140	0.9
224.04770	1.4
255.10185	4.4
269.11700	1.8
270.12613	1.3
283.09750	17.4
284.10135	1.4
294.08823	1.4
295.09744	2.9
296.10516	1.6
298.12036	2.8
309.11212	2.1
311.09235	47.4
312.09619	2.8
325.10809	6.2
326.11591	42.7
327.11777	2.4
341.13922	100.0
342.14282	6.1
563.21631	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74669	2.4
52.04159	1.9
59.01376	8.6
66.20476	1.8
69.41794	15.0
71.01385	8.1
73.02924	2.4
95.01439	1.9
101.02457	3.0
113.02467	2.8
113.78668	1.9
114.80136	2.1
138.05127	1.6
183.99010	2.4
197.49348	1.9
280.07422	2.9
282.09167	2.7
293.08170	2.7
295.09814	3.5
311.09317	3.4
314.08136	2.6
326.11752	11.5
327.12305	6.2
341.13919	13.3
355.11902	5.2
396.35422	1.9
473.14529	3.8
488.16629	6.0
503.19205	100.0
504.19638	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	605.321
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58885	0.2
55.25888	0.2
59.01387	0.3
61.98831	100.0
62.95905	0.2
63.14066	0.2
69.30944	1.4
69.99007	0.2
78.95922	0.6
93.96404	0.2
96.88251	0.2
117.03450	1.7
119.05033	2.5
120.08365	0.1
121.02954	0.4
133.02988	0.2
145.02956	4.5
152.99614	0.5
163.04028	0.7
168.44202	0.2
183.47992	0.2
210.93648	0.2
250.37297	0.2
295.80933	0.2
303.23364	1.7
304.23730	0.6
305.23965	0.3
306.24408	0.3
349.06659	0.2
441.26440	0.5
459.27686	0.4
528.31122	0.7
531.32239	0.3
605.31317	4.5
605.40894	0.3
606.31934	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.277
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85634	0.2
59.01373	0.6
61.98830	100.0
69.54739	0.2
69.76273	0.8
71.01375	0.2
119.05138	0.2
133.01436	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26208	2.1
59.01378	32.4
61.98825	4.8
69.36060	18.0
71.01382	13.4
73.02947	6.4
85.02932	5.6
89.02433	5.0
98.57318	2.2
101.02435	9.5
102.11754	2.1
104.80080	2.4
104.86181	2.1
110.32272	2.7
113.02421	5.8
114.89257	2.4
156.47688	2.3
170.61761	2.3
177.01993	2.6
185.11824	4.5
297.60385	2.7
299.10123	2.4
339.25223	9.2
357.26294	18.2
375.29355	2.3
519.31769	11.0
561.32782	100.0
562.32843	6.6
633.84381	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	605.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	4.6
59.01381	37.1
61.98814	4.0
69.15853	44.6
71.01377	15.9
73.02931	7.5
85.02927	4.7
87.76450	3.9
96.95998	6.6
101.02482	6.5
113.02398	3.8
185.11792	14.2
199.39990	4.1
283.01315	5.8
339.25284	11.8
357.26413	80.3
358.26804	4.7
381.26254	5.8
501.30484	10.0
519.31281	20.6
561.32721	100.0
562.32733	7.1
628.29449	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	605.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64758	1.5
55.01873	2.7
57.03451	2.9
58.66311	1.5
59.01379	78.1
61.98814	7.5
71.01380	25.8
71.51903	2.9
72.99295	3.3
73.02940	10.3
74.19026	1.4
77.96805	1.6
83.01384	4.6
85.02946	10.2
87.00859	1.9
88.98799	1.6
89.02435	4.9
95.01412	1.9
96.96009	4.0
97.02974	2.0
99.00917	2.6
101.02440	13.2
113.02447	7.2
119.03490	2.2
119.04997	6.6
124.96442	1.4
125.09738	1.7
135.04529	3.3
159.02968	1.7
159.08163	4.0
161.04556	4.7
163.04022	7.1
177.01956	2.2
337.20599	1.9
357.26416	12.7
369.16034	1.8
457.31381	3.9
475.32724	4.2
506.98593	1.7
519.31580	3.0
561.32739	100.0
562.33325	8.3
605.29419	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	605.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89307	2.4
51.78383	2.1
57.03430	4.6
59.01109	3.6
59.01380	52.5
61.98822	9.8
66.98331	1.8
67.99706	2.2
69.53634	15.5
71.01382	20.2
71.98303	2.2
73.02940	5.9
76.31158	2.5
85.02967	6.4
87.04510	14.6
89.02447	8.6
96.96033	3.1
97.06569	2.8
101.02431	9.7
113.02448	11.6
127.11298	11.3
135.04518	2.3
139.11284	7.9
145.92085	2.1
151.53339	2.6
161.04491	3.8
169.12405	4.3
171.13875	19.6
200.14226	3.1
201.14903	4.7
209.04604	3.1
229.18144	3.6
280.91345	2.5
290.10403	2.1
311.25879	21.7
313.27499	4.5
357.26447	100.0
358.26743	3.9
381.26563	5.2
501.07996	2.6
545.29578	11.3
561.32434	6.2
563.30652	14.1
605.27539	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	605.318
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01395	1.4
57.03439	3.4
59.01379	81.1
60.01703	1.7
61.98800	2.2
69.22675	6.0
69.23111	8.0
71.01376	14.8
73.02937	6.6
73.86331	1.8
82.31120	1.5
83.01388	4.4
85.02946	6.2
88.71577	1.7
89.02441	4.8
90.89762	1.6
96.96012	1.6
101.02421	9.0
111.24998	1.7
113.02430	8.4
127.57748	1.5
135.04549	2.3
161.04601	1.8
165.05524	5.9
169.84778	1.8
198.39418	1.7
313.27405	3.8
317.43668	1.5
357.26382	17.6
453.19955	1.6
475.33081	1.8
501.30429	2.1
519.31677	5.6
548.60107	1.7
561.32813	100.0
562.33234	7.9
622.88287	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.318
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.6
59.01383	23.5
61.98830	47.5
70.60847	2.6
70.61176	4.9
71.01388	10.4
88.98835	3.0
111.08160	11.2
113.02441	2.5
113.09736	2.5
125.06113	4.6
127.11256	3.0
141.01788	3.5
141.12862	2.8
166.40904	2.0
171.10229	4.9
180.34393	2.7
183.13913	4.2
190.47560	2.4
198.90381	2.1
260.47974	2.5
313.23856	2.7
339.25409	3.3
357.26456	100.0
358.26895	6.2
381.26675	12.8
382.12079	2.6
443.31284	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	605.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52445	0.4
54.23312	0.5
59.01391	0.5
61.98810	0.6
69.44857	0.9
69.45262	2.3
74.01130	0.4
78.78606	0.4
84.15757	0.4
93.03447	0.5
117.03468	37.1
118.04265	0.6
119.05029	45.6
120.05372	1.0
121.02958	7.7
121.03771	0.7
123.04498	2.4
133.02969	1.8
134.03694	1.2
141.63626	0.4
145.02956	100.0
145.43491	0.5
146.03276	2.4
162.03246	2.5
163.04019	23.8
305.24844	1.6
306.25146	2.2
352.88138	0.5
441.26453	14.8
442.26944	1.0
452.21375	0.5
459.27530	8.4
460.28146	0.8
531.32941	1.4
605.31189	92.0
606.31464	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	605.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62369	0.9
59.01376	6.8
61.98827	9.6
71.01384	3.9
71.52151	1.5
96.96017	1.3
113.02467	1.3
115.00348	1.1
116.92909	1.2
121.05338	1.1
133.01486	1.3
134.06139	1.7
135.04535	2.1
136.07683	24.7
136.08665	2.0
149.10832	3.3
157.07742	4.0
162.05638	2.5
171.10477	1.2
173.07188	10.9
175.07373	1.5
175.08768	18.5
176.10739	1.2
187.12389	2.4
189.06688	2.5
190.11101	2.3
201.10283	2.3
203.11836	2.3
205.13449	45.1
206.13882	1.4
213.10295	2.8
229.09828	3.8
231.11389	100.0
232.11700	2.3
243.11325	1.5
337.60361	1.1
354.21759	1.6
380.19775	88.8
381.20300	6.4
398.20810	49.7
399.21182	4.1
519.25684	1.0
528.73199	1.0
561.26752	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	605.277
Annotation	Unknow
Peak:m/z	Relative Intensity
63.68111	1.5
65.54565	1.4
71.26132	3.6
71.28892	1.4
78.95889	6.4
99.06254	1.6
152.99562	2.5
255.23103	2.5
341.64185	1.8
342.49088	2.0
429.16989	2.5
430.18088	9.3
444.19287	2.4
445.20319	100.0
446.20264	7.6
459.21725	18.4
460.22400	5.6
473.19666	2.6
487.21097	2.8
489.07449	1.7
503.21069	1.8
504.21646	63.9
505.22000	3.9
518.23291	13.8
519.24017	83.6
520.24146	7.8
569.22803	1.6
573.25085	4.7
605.27655	64.9
606.27881	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	605.2405
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
59.01391	0.4
61.98833	0.4
64.15289	0.4
70.37445	1.2
78.95898	2.3
85.27132	0.3
87.28086	0.3
132.66312	0.3
152.99556	1.0
199.58949	0.3
255.23254	1.5
264.71951	0.3
316.10892	0.4
413.17575	0.5
415.15295	0.5
428.16193	0.4
429.17120	0.6
430.17871	1.6
443.19305	0.6
457.20798	1.8
459.17740	2.8
459.93005	0.4
468.19656	0.4
469.20511	0.5
470.21042	0.7
471.18015	1.5
472.18823	0.7
473.19766	4.9
474.20190	0.4
485.18521	2.3
485.24265	1.0
486.20947	2.9
487.21988	0.6
496.18820	0.7
499.17584	1.8
501.23682	3.0
502.20505	0.4
511.21472	2.5
512.21881	0.4
513.19397	2.9
514.20154	8.7
515.20361	0.7
517.18872	0.7
518.19519	1.6
527.21112	0.5
528.21747	0.5
529.22424	100.0
530.22754	10.2
530.28656	0.3
532.21063	2.1
533.21967	2.6
561.25061	0.7
573.21301	1.2
587.29688	0.6
605.23938	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31833	4.7
59.01374	46.9
64.25311	4.7
71.01385	20.5
73.02966	5.1
80.83186	4.8
89.02421	6.0
96.96021	10.8
100.25861	4.3
101.02428	6.2
113.02448	8.2
115.00343	9.4
128.50763	4.7
133.01401	8.0
133.02940	8.6
135.02995	9.4
135.04543	13.8
136.01656	32.1
137.02467	6.6
145.02898	7.3
151.04015	46.1
152.36945	6.2
179.03590	6.2
183.01207	14.3
204.21616	5.7
222.70305	4.5
229.45697	6.8
233.09451	5.3
283.09586	27.9
289.10632	6.8
311.09232	53.9
326.11575	32.7
327.08670	8.8
328.09192	5.9
341.13885	100.0
357.13577	46.0
361.84784	5.6
383.15231	18.0
401.09787	12.6
485.14075	5.4
561.24030	38.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
69.16038	10.7
69.16468	12.7
71.01392	22.0
72.99316	4.4
75.00862	3.3
77.30972	2.0
86.76369	2.1
88.73717	2.0
92.25343	2.3
99.38769	2.3
103.66837	2.1
115.00385	38.7
117.03451	2.5
129.40065	2.3
133.01436	100.0
134.01768	2.8
134.03746	34.7
135.02960	9.6
135.04535	21.3
149.06125	3.6
174.60167	2.2
177.01825	3.1
179.03508	24.9
183.91774	2.9
193.05063	51.6
213.53963	2.5
295.04800	3.0
309.07681	2.7
353.06647	7.6
364.61804	2.5
371.25763	2.3
429.82364	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	605.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35522	3.1
59.01379	63.5
60.01715	3.7
69.94836	11.9
71.01382	11.1
81.54276	3.2
91.05188	3.6
101.02475	6.3
109.02969	3.8
133.01408	8.9
133.02969	7.3
134.90155	3.9
135.02986	6.1
135.04483	6.6
136.01657	67.3
143.78712	4.0
145.02899	4.8
151.04001	93.5
179.03409	4.6
189.69926	3.1
196.72723	3.6
215.10295	3.3
219.85762	3.6
258.16895	3.4
274.72406	3.7
308.57050	4.0
311.09235	6.7
327.08710	9.0
329.09384	5.7
341.13989	8.3
357.13403	100.0
403.52261	3.4
485.30435	4.8
531.62567	3.8
561.23798	4.9
579.56134	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	604.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16863	0.9
59.01385	29.0
60.01688	1.3
71.01389	8.6
71.06779	0.9
71.51817	1.9
72.99336	0.9
79.62984	0.9
85.02933	1.6
87.00843	1.0
89.02443	1.8
93.03378	1.1
101.02441	1.3
107.42490	0.8
113.02461	2.2
115.00356	4.1
116.14307	0.9
117.02650	1.5
117.03468	23.6
118.03803	1.8
119.04408	0.9
119.05036	10.0
121.02941	4.2
123.04545	1.1
133.01436	3.2
133.02921	2.9
134.03694	0.9
135.02966	2.2
135.04462	2.2
145.02956	100.0
146.03273	6.0
151.00356	4.0
161.02467	1.9
161.06039	1.6
162.03148	1.7
163.03998	9.7
179.03406	1.2
187.03989	1.0
197.04236	1.0
205.05067	1.1
227.03473	1.1
243.03003	5.4
244.03499	1.1
247.78278	1.0
254.02162	1.5
255.02975	15.5
271.02460	29.4
272.02927	4.6
283.09592	3.0
284.03329	1.1
284.10071	3.9
290.99561	1.0
294.05270	1.7
295.05762	1.1
299.01910	2.7
300.02728	45.3
301.03317	7.1
327.08633	2.9
328.09116	3.2
339.04816	1.2
353.06458	5.4
354.06982	5.5
437.14349	1.7
458.05020	1.9
458.11417	34.9
458.61670	10.4
482.28055	1.3
483.29456	1.1
484.29922	1.1
524.21680	1.0
531.13196	36.2
531.63464	18.6
532.13147	2.8
627.23987	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	15.4
60.99313	0.8
61.98832	100.0
69.52219	4.1
71.01386	13.2
73.02954	1.1
73.43262	0.5
75.66966	0.7
88.98827	2.8
89.02428	0.7
89.06123	0.6
96.67361	0.6
101.02436	0.8
113.02448	0.8
114.19125	0.6
116.20461	0.6
121.02991	1.4
135.04532	0.6
137.36040	0.6
165.33784	0.7
166.96826	0.6
171.10217	0.8
190.81723	0.6
192.43207	0.6
206.76738	0.6
244.42496	0.6
291.08853	2.1
357.26486	8.1
381.11932	6.1
381.26312	0.7
387.64810	0.7
404.07504	0.6
423.13220	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
68.94920	1.0
71.01386	9.9
71.39499	1.0
73.02939	2.0
75.00900	1.0
82.98106	1.0
83.01416	1.9
85.02958	4.7
89.02433	3.0
95.01416	1.4
96.96014	1.7
99.00903	1.1
101.02432	5.9
105.57730	0.9
111.47411	1.0
113.02439	9.8
115.00405	2.5
116.82783	1.1
133.01398	2.7
133.02953	2.5
135.04503	3.8
137.02538	1.4
137.06081	1.1
161.04510	1.8
177.01941	1.5
179.03503	2.6
181.05075	5.3
187.07619	1.8
287.45535	0.9
327.08728	2.4
328.19916	0.9
339.25244	1.6
483.29608	44.2
484.30206	5.0
499.29034	2.2
501.30688	11.9
543.31982	6.2
625.21588	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.4841
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05731	0.4
52.26952	0.4
52.58127	0.4
54.14141	0.4
59.01379	100.0
60.01698	0.8
61.98829	6.3
71.01390	1.4
78.95914	0.8
79.95744	0.9
80.96513	7.1
85.02977	0.7
85.65314	0.4
87.00884	0.7
89.02461	1.2
94.98089	1.0
101.02471	1.1
112.98623	0.6
113.02472	0.9
134.97629	0.7
148.99162	1.0
192.68423	0.7
225.00743	1.2
243.50117	0.5
279.23355	1.5
305.24957	1.6
341.10785	1.0
341.37030	0.4
361.26031	0.5
561.82129	0.6
585.05780	0.6
603.28461	8.5
604.29248	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02532	3.1
59.01374	43.6
61.98806	8.9
65.48933	3.2
69.17178	35.0
71.01379	20.3
76.49875	3.0
78.34079	3.0
83.05045	4.7
85.02932	7.3
87.90047	3.1
89.02435	13.4
97.02974	3.7
101.02439	14.2
113.02429	8.3
119.03468	4.0
123.04556	4.6
123.67480	4.7
125.09744	7.2
130.54700	3.7
161.04518	6.4
163.11287	7.6
185.11787	7.8
191.14415	10.1
209.11830	24.3
237.11398	5.5
245.19048	17.0
246.13986	3.4
253.09230	48.0
263.20056	5.3
271.16965	5.9
289.18100	100.0
307.19153	88.5
308.19601	4.5
345.86414	3.5
387.74802	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	603.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93029	1.1
53.53745	1.0
59.01380	100.0
61.98816	1.2
63.46092	1.3
69.96340	5.5
71.01378	11.1
72.99342	1.0
73.02927	1.6
83.01362	1.5
85.02970	5.6
87.04499	1.4
89.02444	5.9
90.44249	1.1
99.00871	1.8
101.02451	5.9
113.02459	14.4
125.02475	1.2
161.04510	4.5
179.05577	2.1
201.11932	1.0
349.74423	1.4
355.24759	2.4
381.05450	1.4
395.24530	2.5
407.24307	3.8
483.29611	28.4
501.30716	7.1
543.31689	3.9
559.31464	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77547	1.6
55.01850	1.5
57.03450	2.6
59.01379	100.0
63.20203	1.4
71.01393	14.3
71.52443	2.3
73.02958	3.2
82.97621	1.4
85.02982	8.0
85.03403	1.4
89.02435	6.8
101.02432	5.6
113.02451	13.7
116.92834	3.0
119.03468	2.3
135.04486	2.9
143.03488	2.0
161.04550	4.8
179.05597	2.8
196.04668	1.6
201.97731	1.5
355.24982	8.3
375.92133	1.6
407.24606	3.8
483.29550	24.9
501.30652	6.3
543.31494	2.4
559.32001	2.7
603.35699	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	603.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98837	2.1
65.38678	0.5
69.19849	3.3
69.20267	0.8
71.01383	9.2
72.10390	0.4
72.99312	0.5
73.02955	1.6
75.00899	0.4
83.01415	1.1
85.02959	3.1
89.02448	6.0
95.01396	0.9
96.30514	0.4
97.02920	0.5
101.02450	5.1
105.03508	0.4
106.06634	1.7
111.00948	0.6
113.02446	7.7
115.00389	1.2
119.03453	2.5
119.87826	0.5
133.01472	1.4
133.02988	2.3
134.03752	0.9
135.04553	1.1
137.02501	0.5
143.03511	1.5
149.06126	0.6
150.05632	1.3
161.02478	0.5
161.04584	2.5
164.07198	0.7
177.01984	1.9
178.02695	0.8
179.03535	1.0
179.05643	1.4
248.13574	0.4
264.67911	0.4
327.08713	2.7
339.05273	1.4
371.07889	0.5
398.11246	0.6
399.10925	0.6
447.27899	1.0
465.28949	1.6
483.29675	10.7
484.30356	0.6
501.30447	3.9
543.29059	3.3
561.29303	0.5
603.28839	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.1
55.77354	1.8
57.83592	1.8
59.01378	38.5
61.98835	10.3
62.43855	1.8
71.01391	14.7
71.08974	3.8
73.02953	2.6
81.03484	1.9
83.01391	3.8
83.05004	3.1
85.02943	3.1
87.00906	2.7
88.98799	2.2
89.02448	7.3
97.02946	2.1
97.06596	4.9
101.02442	13.0
113.02455	7.6
119.03485	2.5
121.35286	1.8
123.04532	2.1
125.09708	7.2
135.04497	3.4
137.09747	4.0
143.03523	2.3
161.04585	5.5
163.11252	6.7
181.12381	2.2
182.79373	2.2
185.11783	6.5
191.14410	8.5
207.10274	2.7
209.11859	21.7
225.11348	2.3
237.11307	4.1
245.19078	19.4
253.09279	52.7
263.20172	4.9
289.18088	97.7
290.18423	4.9
307.19135	100.0
308.19531	5.1
360.72498	2.6
365.47672	2.5
460.10049	2.0
480.58160	2.1
518.29578	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	603.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
69.98822	14.0
71.01395	28.9
73.02956	11.3
78.95908	9.2
85.02958	12.8
89.02445	11.2
98.20001	5.1
101.02409	19.5
102.83379	4.4
108.90028	3.6
113.02422	21.0
115.00346	4.3
125.09750	7.9
133.01534	5.8
135.04541	4.9
152.99568	8.0
156.02112	3.7
206.11104	4.6
311.14075	4.4
355.24850	14.8
359.18002	5.1
378.18237	6.2
408.17639	4.3
422.17145	8.2
423.45346	4.6
440.18430	6.3
489.80817	4.4
499.29230	29.0
517.30194	18.6
541.30219	4.6
559.31305	10.7
575.29504	4.1
603.25275	11.0
625.64948	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	603.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59457	2.0
59.01378	100.0
60.01701	2.8
64.40783	2.3
67.16454	1.9
69.76347	2.0
69.76654	11.4
71.01376	18.6
73.02956	3.4
83.01385	3.9
85.02970	6.6
87.01907	2.3
89.02448	5.5
98.20599	2.2
101.02450	6.3
110.46775	1.9
113.02427	10.0
115.00396	2.7
131.50026	1.9
133.01427	3.9
133.02963	3.7
134.03728	2.1
135.03023	2.4
135.04521	4.0
141.39056	2.2
149.38483	2.4
161.04565	2.3
172.79338	1.9
179.03578	2.3
181.05145	3.7
203.10849	2.0
256.00381	2.0
310.55124	2.1
337.10962	3.9
349.86621	2.5
463.27087	3.2
481.28271	23.0
483.29425	12.7
499.29169	6.4
501.30408	3.1
541.30084	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98805	4.4
67.26084	2.5
69.15270	12.5
69.15691	15.9
71.01378	25.0
73.02955	4.4
80.65285	2.8
80.83666	2.6
83.01392	6.4
85.02958	10.3
89.02448	11.9
93.39047	2.9
95.01411	3.9
96.95974	2.9
101.02448	6.1
113.02444	21.1
115.00391	5.5
116.92879	3.6
119.03482	2.8
123.87424	3.1
133.01396	8.1
133.02942	9.3
135.04543	5.0
161.04544	5.2
177.01947	3.5
179.05606	3.3
231.44553	2.7
255.25604	2.9
268.07327	3.8
288.88852	3.2
327.08777	13.9
353.06500	6.6
395.50937	3.5
411.23834	5.9
423.23929	7.8
440.36838	3.3
478.41092	3.4
481.27740	5.4
499.29068	27.3
517.30286	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	6.0
58.00580	2.2
59.01384	27.1
61.98819	3.5
71.01380	10.7
73.02948	8.2
83.01361	2.3
85.02943	4.5
87.04528	22.5
89.02428	2.0
96.95991	3.9
101.02475	8.6
101.06052	2.0
101.67583	1.6
107.62254	1.7
111.08160	2.9
113.02471	4.0
115.00398	2.1
115.92020	1.7
123.08134	2.1
125.02459	2.3
133.01416	5.0
137.02509	2.5
139.11295	3.6
141.09305	2.4
142.25691	1.9
151.11290	3.1
161.04585	2.1
168.11514	3.9
169.12354	15.1
183.13846	3.2
215.08257	3.5
222.09915	1.7
222.49542	1.8
241.09819	3.6
251.20140	9.2
253.21805	2.6
254.10677	2.5
256.58774	2.2
303.09451	2.1
316.83722	1.6
355.24887	100.0
356.25079	5.8
379.24844	3.8
520.00781	1.8
559.24493	2.0
559.31531	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	603.284
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34340	0.9
59.01356	2.8
61.98586	1.0
61.98828	10.7
70.19019	1.0
71.01385	6.7
71.35925	1.9
73.02929	1.8
78.95897	1.3
78.98593	4.6
79.95733	10.5
80.96516	60.4
81.03449	1.2
85.02936	1.9
87.00871	2.8
94.98091	14.4
96.95984	1.8
97.02947	1.8
101.02441	2.3
103.94834	0.8
106.98059	4.0
122.97593	5.5
125.02426	4.0
127.74723	1.0
134.97546	3.7
136.99063	1.5
141.80357	1.0
148.99110	5.1
150.37982	1.0
152.98621	6.3
164.98592	8.8
182.91264	1.0
182.99725	1.2
206.99670	3.0
225.00761	15.9
243.01729	1.1
253.21664	1.6
299.04333	2.7
303.79642	1.2
343.52917	1.0
468.05179	1.2
603.28461	100.0
604.28778	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	603.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	8.8
59.01369	9.1
59.37603	2.3
69.87398	13.4
71.01397	4.0
73.02941	2.9
74.25268	2.6
78.27311	2.5
83.01362	3.3
127.11298	24.5
139.11256	8.4
155.10814	4.7
171.13911	28.7
193.82787	3.1
200.14177	4.8
229.18056	7.1
311.25980	25.7
355.24878	100.0
356.25220	7.8
379.24939	9.8
380.46130	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	603.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76895	1.9
59.01380	100.0
61.98819	3.8
67.61933	2.1
70.03443	4.9
70.03832	4.4
71.01379	24.1
72.99282	2.1
73.02955	6.7
73.53598	2.0
78.95925	3.1
83.01385	2.2
85.02947	8.8
89.02428	11.1
96.96027	4.6
97.02975	2.6
101.02443	15.6
109.02912	2.5
113.02448	14.7
115.00391	5.2
116.92815	2.4
118.98080	5.1
119.03532	2.6
121.45139	2.3
125.02377	2.4
133.01414	8.9
133.02879	2.6
135.04504	5.8
135.78941	2.2
136.07635	7.3
137.02443	2.6
143.03494	3.3
145.43176	2.1
151.03918	2.3
161.02460	2.5
161.04582	5.0
162.05658	2.4
177.01924	4.1
179.03458	2.9
179.05647	2.7
187.29922	2.6
215.08324	10.3
232.08472	3.0
235.18573	2.2
241.09805	6.2
261.88843	2.5
303.41562	2.2
378.18164	8.0
383.67880	2.4
396.19556	10.3
405.26596	2.1
414.70230	2.3
434.80289	2.3
440.18192	5.4
483.29858	3.6
499.29147	7.9
543.28540	2.5
559.31689	5.3
603.25354	6.4
604.32727	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81707	0.8
59.01369	3.6
61.98820	2.7
65.55435	0.9
69.18813	8.3
71.01385	25.5
72.99292	4.6
73.02934	1.7
89.02430	3.8
91.01879	1.8
96.96006	1.2
98.19854	2.0
101.02455	0.9
108.02159	1.8
109.02983	1.1
113.02411	0.9
115.00373	59.3
121.02948	1.2
123.04459	1.7
133.01431	100.0
133.03018	2.6
134.03705	2.3
135.02969	0.9
135.04536	1.8
136.01602	1.1
145.02896	1.4
146.03726	10.5
147.04512	3.0
159.04527	11.2
177.01904	1.4
193.05045	2.5
236.04796	1.2
237.05649	1.9
239.07108	1.5
248.04805	1.4
249.05577	2.0
250.06271	0.9
251.07217	1.1
253.05006	3.2
264.04279	5.0
265.05014	3.0
266.05832	7.5
267.06583	15.3
268.07397	28.9
269.07584	1.2
276.04074	2.4
277.05048	3.0
277.31406	0.9
281.08148	2.2
283.09750	74.2
284.10052	3.5
292.03735	3.3
292.98795	0.7
293.04593	13.1
294.05289	5.6
309.07681	17.7
310.08041	0.9
327.08728	44.0
328.08969	1.7
335.05606	10.1
353.06635	24.4
357.13135	1.0
371.07742	12.1
407.07483	1.1
431.82611	0.9
487.08771	2.6
514.14557	0.9
562.14874	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	10.0
61.98538	7.2
61.98834	100.0
63.54258	3.5
77.50997	3.8
78.95881	6.5
84.63786	4.2
98.20772	7.8
108.52325	3.9
135.78302	4.2
152.99483	5.0
157.39796	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.099
Annotation	Unknow
Peak:m/z	Relative Intensity
57.90600	0.5
58.76637	0.5
61.98820	1.5
68.79345	0.6
69.79247	1.3
69.79647	2.0
71.01380	20.0
72.99310	4.0
83.90538	0.6
87.00872	1.0
89.02431	2.3
91.01893	0.7
95.86638	0.6
96.06982	0.5
96.95998	0.6
108.02180	1.3
109.02955	1.0
115.00375	56.2
116.92859	0.7
123.04467	1.7
126.01888	0.5
130.78360	0.5
133.01431	100.0
134.01782	1.7
135.04507	0.6
145.02991	0.8
146.03737	8.2
147.04527	1.4
149.02258	0.6
151.04065	0.6
159.04532	9.2
197.06227	0.7
203.03609	0.7
211.07533	0.8
224.04715	0.7
236.04764	0.9
237.05424	1.1
238.06377	0.7
239.07123	0.7
247.04150	0.9
248.04892	1.0
249.05484	1.2
250.06453	0.8
251.07161	1.1
253.05011	3.3
263.03629	0.8
264.04285	5.1
265.05002	2.5
266.05798	6.7
267.06570	12.8
268.07391	22.7
269.07837	1.3
276.04175	3.5
277.05048	2.8
281.08350	1.4
283.09750	61.1
284.10107	2.8
292.03772	2.3
293.04565	14.2
294.05310	7.2
309.07675	17.6
310.08154	1.0
312.06711	0.7
327.08749	30.2
328.09177	1.7
335.05606	8.3
347.05621	0.6
351.04730	0.7
353.06613	18.0
354.07166	0.9
363.08728	0.8
371.07684	7.2
381.09979	0.8
407.07809	1.2
426.08456	0.7
445.94565	0.7
487.08694	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51598	0.5
59.01377	22.7
61.43699	0.4
62.04692	0.5
71.01389	0.5
71.08765	0.5
71.09095	0.8
78.95902	9.3
83.05017	0.7
84.53663	0.4
152.99597	2.5
168.04269	2.6
205.19588	1.3
224.06900	1.3
242.07974	4.8
247.16600	0.4
259.24249	5.8
259.65421	0.4
268.81833	0.4
273.87894	0.4
285.22342	0.5
303.23279	100.0
304.23584	4.7
344.88538	0.4
376.50394	0.4
528.30902	33.0
529.31274	1.8
553.30695	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27340	0.7
51.29270	0.7
57.23018	0.6
59.01382	36.7
61.98830	1.5
69.21143	1.0
69.21545	6.1
71.01373	1.6
71.42327	0.7
71.86658	0.7
78.95904	39.9
83.04952	0.8
86.00974	0.6
91.45161	0.6
94.37546	0.7
98.19936	1.5
100.61070	0.7
122.98527	1.3
131.07043	0.6
152.99565	5.8
168.04279	6.0
205.19583	1.6
219.62473	0.7
220.11906	0.8
224.06923	15.7
242.07962	4.5
259.24326	4.7
293.11914	0.9
303.23285	97.6
303.54086	0.6
304.23721	5.0
445.86096	0.9
508.21396	0.8
528.30945	100.0
529.31281	7.5
539.96130	0.8
560.95319	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4685
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01693	1.0
61.98829	1.0
70.29182	3.0
78.95890	1.6
96.96014	2.7
99.25118	0.7
120.19258	0.7
128.65587	1.0
131.36165	0.9
132.13489	0.8
156.05681	0.9
163.34753	0.7
184.77347	1.0
253.09258	3.3
271.23026	1.8
305.24823	18.4
453.38867	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.7
61.98832	100.0
66.76089	0.4
69.20667	0.7
69.21069	2.9
69.85273	0.3
80.96523	0.6
84.85069	0.3
98.20634	0.9
161.57666	0.4
182.18500	0.3
304.23730	0.5
305.24054	0.5
421.75061	0.4
491.35098	0.4
496.07019	0.5
603.28943	1.2
632.89203	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.8
61.98830	100.0
72.98999	0.5
77.04094	0.4
80.22449	0.4
80.96541	1.4
106.79016	0.4
221.86124	0.6
225.00633	0.6
229.48224	0.6
341.66272	0.5
603.28058	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	601.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26162	0.7
52.97184	0.8
53.38836	0.9
57.03439	3.7
59.01374	1.7
61.98830	3.1
62.28725	1.0
73.48566	0.8
81.13923	0.8
83.05021	1.1
83.15707	0.8
85.30822	0.9
91.82118	0.8
95.95457	0.9
97.06586	11.0
105.07103	1.0
123.08176	6.0
125.09724	100.0
126.10056	2.4
139.75133	0.8
143.10748	1.5
156.00064	1.0
169.08702	2.5
187.09752	69.9
188.09996	2.0
221.29753	0.9
225.11189	1.1
243.12361	2.5
261.11343	1.0
261.13449	9.7
431.22864	26.4
517.35608	0.9
583.31421	1.6
601.32275	72.3
602.32629	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	601.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98729	0.9
55.90807	0.8
59.01380	100.0
61.98825	1.4
69.20385	8.6
70.77444	1.0
71.01380	20.7
73.02940	7.1
77.30789	0.8
83.01396	1.7
85.02947	6.5
87.00831	1.0
89.02455	10.8
91.61292	0.9
95.01364	2.5
98.20647	2.0
101.02450	12.7
101.93298	0.9
113.02454	16.7
115.00346	1.0
117.67590	1.0
119.03497	4.2
130.89008	0.8
131.03453	1.6
133.01445	1.4
133.02921	1.0
143.03491	2.0
144.49628	0.9
161.04562	5.0
177.01974	1.2
179.05603	4.0
230.43951	1.1
276.67630	1.0
353.23380	4.4
357.93216	0.9
451.27460	1.4
463.26999	8.7
481.28046	17.5
482.28464	1.3
499.29306	3.6
523.28876	1.2
557.29443	3.5
569.71655	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	0.8
57.03461	0.8
59.01378	100.0
60.01707	1.0
61.98829	1.9
71.01385	10.4
71.40031	0.7
73.02958	2.2
83.01389	1.6
85.02946	4.9
89.02441	4.0
95.01396	0.9
96.96024	5.1
99.00900	1.0
101.02437	4.5
109.02998	0.7
113.02448	5.6
115.00362	3.6
119.03553	3.2
125.02452	0.7
133.01439	4.1
135.04530	1.8
137.02480	1.0
137.12270	0.7
143.03510	1.4
161.04634	2.0
177.01942	1.4
179.05725	1.3
365.14185	0.9
397.16345	0.9
409.13208	0.9
441.15921	1.0
463.27347	1.0
481.28052	27.7
481.34998	1.4
482.28748	2.4
499.29001	7.0
541.30475	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	600.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	5.6
61.98830	100.0
69.21487	17.7
69.21904	6.1
78.28772	2.2
91.19459	2.1
98.20708	5.7
142.52043	2.4
144.00060	2.4
147.31145	2.4
248.35991	2.7
352.42203	2.7
610.37091	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	601.0272
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01725	0.9
61.98827	1.6
62.34555	0.9
69.44157	6.3
72.47378	1.0
74.96885	0.9
87.79153	0.9
115.02515	7.8
117.00447	5.6
132.98180	1.3
143.95900	0.9
156.99834	1.2
157.03473	2.7
159.01491	67.5
160.01582	2.8
174.99246	15.2
176.98080	8.2
201.02539	23.0
206.70714	0.8
217.00296	49.8
219.70453	1.1
225.65166	1.0
259.01556	2.6
270.18536	0.9
274.99335	2.6
301.02652	54.3
302.02747	3.6
317.00409	39.3
318.00482	1.5
332.98441	1.4
359.01431	20.1
360.01599	1.6
374.99423	1.6
459.01605	11.5
460.01477	1.7
503.14929	1.0
541.00604	33.1
542.01117	4.5
596.36615	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	5.8
58.58831	4.2
59.01383	63.7
69.03433	4.5
69.58628	24.0
69.70213	4.6
71.01378	19.2
73.02940	13.3
83.01380	5.0
85.02972	5.5
89.02436	6.5
92.64375	4.2
93.45016	3.7
98.19917	4.2
101.02430	21.9
101.06091	11.0
102.86949	3.6
107.89873	3.4
111.08163	6.8
113.02454	7.3
115.00332	4.8
139.11311	6.5
168.11588	3.8
169.12331	10.7
178.02644	6.2
183.13869	11.2
209.48337	4.4
235.77676	4.2
251.20206	12.4
298.21289	3.9
309.24347	14.4
329.44357	3.8
353.23312	100.0
354.23474	5.7
373.16357	4.4
377.23071	9.8
397.22336	10.9
557.29425	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01717	0.7
61.98827	0.7
65.27122	0.6
69.36794	5.4
71.01385	8.7
73.02964	3.0
74.71540	0.6
83.01395	1.5
83.93710	0.8
85.02941	3.3
89.02465	3.8
95.01409	0.9
96.96038	1.8
99.00919	0.9
99.04568	0.7
101.02425	4.9
113.02431	5.7
115.00356	3.4
119.03497	1.2
133.01437	6.0
134.28922	0.6
135.03023	1.2
135.04532	2.1
137.02464	2.1
145.27708	0.7
161.04593	1.8
177.01974	0.8
179.03531	0.8
197.53741	0.9
221.06097	0.8
337.24057	0.7
441.16037	0.9
481.28036	23.7
482.28506	1.2
499.29187	9.0
541.30084	5.7
557.29602	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
58.72794	0.7
59.01379	21.7
61.98829	1.1
71.01378	5.0
75.76560	0.7
78.95921	0.9
85.02933	1.7
89.02449	3.3
101.02457	4.5
113.02428	2.0
119.03520	0.8
154.39847	0.7
154.96564	0.9
161.04538	2.5
167.92354	0.7
184.23848	0.7
205.19655	0.9
249.51860	0.8
253.06662	1.3
253.09294	19.5
259.24249	3.4
285.22217	1.0
303.23285	100.0
304.23550	5.9
342.40295	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4528
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.98824	1.7
69.37641	5.5
69.38051	1.9
75.26772	1.0
78.95905	2.6
95.03054	1.0
97.88923	0.9
152.99577	1.8
285.20840	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62376	1.1
61.98830	100.0
62.75083	1.1
70.95155	1.0
71.52500	2.2
73.84492	1.1
77.06039	1.2
84.35722	1.3
134.41347	1.1
466.87860	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62638	0.4
61.98830	100.0
74.75666	0.4
80.96511	0.7
84.97836	0.3
195.72530	0.4
277.21814	0.6
302.22006	0.7
319.62064	0.4
346.25369	0.4
356.67633	0.4
398.78152	0.4
480.50894	0.4
511.26917	0.4
601.27124	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63454	2.4
58.88306	2.5
61.98831	100.0
69.15311	2.5
70.37424	3.2
70.37762	5.8
78.95933	3.9
176.01276	2.7
255.23241	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	10.7
61.98835	4.4
62.32775	1.0
63.80424	0.8
65.99055	0.8
70.02023	1.6
70.02429	3.0
71.01381	3.0
77.22601	0.9
96.04529	4.3
98.20537	1.8
101.02407	1.3
105.92348	0.9
125.03586	1.2
133.01389	1.2
134.06158	1.6
136.07693	7.6
150.05499	0.9
150.09251	2.1
161.07210	27.2
162.05608	3.6
172.01024	0.8
173.07198	19.1
174.07994	6.3
176.10783	3.3
183.10248	2.1
185.07173	3.8
187.08752	4.0
189.10327	39.2
189.12041	1.9
190.10652	1.3
197.07201	1.3
197.11775	4.6
200.05908	1.6
204.10249	3.7
206.06839	3.0
211.08781	1.1
212.09543	2.7
213.06676	28.3
213.10304	3.2
214.07335	3.1
214.11079	1.2
215.08250	100.0
216.08525	3.6
221.69196	1.0
225.06628	3.1
225.10196	1.1
233.09305	16.0
239.08238	3.3
240.08980	11.2
241.09868	8.3
242.10538	2.5
243.11433	1.3
244.55943	0.9
253.06406	1.7
253.09091	1.5
266.37302	0.8
267.07758	17.0
268.08527	35.3
269.09274	7.5
285.08719	3.7
286.09579	2.6
292.32294	0.9
312.07455	2.8
346.19339	2.0
372.17093	5.8
373.16397	1.0
374.18735	1.6
390.17993	2.3
400.16364	1.1
418.17719	82.9
419.18137	6.9
436.18744	73.1
437.19119	5.5
462.16650	7.0
581.23779	1.3
599.25000	30.0
600.25305	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	598.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46478	0.4
58.02705	0.7
58.02973	6.8
59.01369	0.8
59.81459	0.5
61.98835	0.5
65.12953	0.4
66.03477	0.8
67.31877	0.5
69.23215	3.8
70.02950	0.6
72.00891	0.9
74.02472	16.3
75.22617	0.4
81.04587	1.3
82.02976	1.8
84.04553	0.7
86.02483	6.1
86.99104	1.5
87.05635	3.3
88.04034	0.5
90.00175	1.4
95.02563	0.5
95.06138	0.5
96.04545	0.7
97.04075	1.8
99.05641	13.8
101.07197	2.6
102.05604	2.1
107.06160	1.1
109.04069	2.0
109.07714	1.1
111.05631	1.1
112.04044	1.6
113.03558	0.6
113.07169	0.4
116.01785	1.1
120.01204	0.5
121.04047	0.6
123.05643	1.6
124.03985	1.0
125.03561	1.5
126.04319	0.5
127.05114	2.9
128.03539	41.1
129.03816	0.5
129.99673	0.6
135.05647	3.9
137.07191	1.0
141.06737	3.1
143.04622	53.5
144.05008	0.5
145.06175	2.0
146.04578	5.0
151.04991	0.4
153.06676	3.8
155.04611	0.5
155.08215	0.5
160.00745	15.8
163.58902	0.5
166.09843	2.3
167.04607	3.6
167.08250	2.1
170.03334	0.6
171.04129	0.8
177.03386	5.4
179.04630	10.7
181.06157	1.6
184.10916	0.6
185.05684	2.0
192.07780	1.3
197.05663	1.5
198.08737	0.5
210.08846	11.7
213.03311	0.7
228.09760	1.0
231.04411	0.5
242.07808	0.9
252.26965	0.6
254.07813	18.1
255.08220	0.4
272.08859	29.5
273.09195	0.8
288.06564	8.5
297.02588	0.5
306.07654	100.0
307.07971	4.0
352.42953	0.5
406.11188	0.5
580.26807	0.8
598.27997	6.7
599.26599	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62446	0.3
59.01370	1.0
61.98830	100.0
71.01390	1.6
71.52702	0.4
78.95918	1.2
96.96012	3.0
115.00389	1.4
126.44008	0.3
133.01404	2.4
135.03020	1.3
135.04526	1.5
147.04649	0.4
192.65691	0.4
199.58609	0.4
211.13374	2.2
253.09337	0.4
284.03275	0.5
343.11807	0.6
348.05865	0.4
356.10156	0.4
420.21179	0.4
524.28766	0.4
535.18097	0.5
598.23004	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.4
61.98829	100.0
71.01380	0.3
71.51267	0.3
87.35948	0.2
115.00441	0.2
117.03436	0.3
133.01448	0.2
135.04547	0.3
145.02928	1.1
146.03287	0.4
147.03563	0.2
148.10063	0.2
165.05603	0.2
194.63103	0.2
211.13347	0.9
217.01404	0.2
227.03619	0.3
228.03864	0.2
243.03242	0.2
253.09225	0.2
255.03001	0.5
264.84573	0.2
284.03372	0.5
285.03812	0.4
304.47696	0.2
373.59024	0.2
524.63788	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58974	0.4
59.01373	1.8
61.98827	2.7
69.51820	1.7
71.01366	0.7
75.61808	0.3
81.02115	0.4
81.03457	11.6
83.05025	37.7
84.05341	0.5
90.53831	0.3
100.07685	5.2
126.05616	1.0
127.04067	0.8
133.01422	0.5
133.02931	0.8
135.04538	0.6
159.45673	0.3
177.01929	0.5
182.15454	0.5
199.18155	6.8
200.18431	0.3
207.15039	0.5
211.13387	0.6
224.23561	0.3
225.16060	8.2
226.14490	0.7
243.17113	18.7
244.17419	0.8
269.15030	1.3
309.21832	1.7
335.19467	0.4
349.20056	0.3
351.17651	0.3
353.20810	6.5
354.21021	0.4
403.01520	0.3
433.32095	0.4
451.32962	2.2
469.33908	16.0
470.34311	1.0
579.37482	3.2
580.38684	0.6
597.38666	100.0
598.39014	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	597.4372
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
69.20899	11.3
78.95889	1.6
98.20634	2.4
198.29019	1.2
217.52266	1.2
267.19632	2.0
555.44427	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3647
Annotation	Sarcohydroquinone sulfate A
Peak:m/z	Relative Intensity
50.78539	0.4
53.81752	0.4
55.01882	0.8
56.25452	0.4
59.01380	34.2
61.98820	2.4
68.99583	0.7
71.00077	0.6
71.00417	0.8
71.01382	8.0
72.99322	0.8
73.02953	3.5
78.56427	0.5
83.01382	1.4
85.02953	4.6
86.00100	0.6
87.00915	1.0
89.02439	0.8
90.81234	0.4
95.01391	0.6
96.96004	0.8
99.00852	0.8
101.02439	7.4
112.98563	1.1
113.02473	3.3
125.03467	0.5
133.02934	0.7
134.03644	0.5
135.04485	0.7
137.02454	0.5
161.04532	0.7
165.06894	0.4
183.07855	0.5
225.05226	1.0
227.06750	0.9
253.04625	1.5
375.29181	0.6
393.30157	4.2
429.24457	0.5
537.34552	2.1
597.36426	100.0
598.36627	7.6
615.51794	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.344
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
71.51024	1.6
78.43899	1.1
83.29718	0.9
97.72114	0.9
115.11489	0.9
115.65062	1.0
125.81829	1.0
142.81662	0.9
154.51790	1.1
216.96939	0.9
260.14804	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	44.8
59.67328	1.5
69.61619	10.7
93.03442	1.6
121.02936	5.5
122.03790	3.3
135.14209	1.6
136.05315	2.1
146.03740	7.0
149.02434	39.2
150.03215	25.8
155.07939	1.9
163.04025	1.9
164.04784	14.5
165.05566	35.2
166.05957	1.6
179.07173	12.8
180.04207	2.1
195.06619	36.1
196.06941	3.1
280.07346	2.2
312.10022	22.7
327.12354	100.0
328.12695	5.4
343.11829	2.4
344.12198	2.0
345.12540	5.6
375.14456	24.3
391.13910	3.0
392.14301	3.1
393.14243	4.0
443.34454	2.1
610.61334	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.1894
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	22.3
61.98836	6.7
68.99574	94.3
69.50073	1.3
69.61652	1.4
71.01389	7.2
71.91733	1.2
73.02938	2.9
73.88511	1.2
83.01392	1.5
85.02950	3.7
88.98845	1.6
96.11116	1.4
96.96044	1.4
101.02438	5.2
112.98565	100.0
113.02480	3.1
121.31119	1.2
135.04507	3.2
145.41124	1.5
277.40271	1.2
347.05304	2.0
389.25110	1.9
390.25797	2.7
413.25357	3.1
414.25644	5.1
431.26569	1.8
432.27011	1.6
497.09460	1.6
564.09802	1.5
596.13959	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	595.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.8
57.03443	3.8
59.01379	100.0
61.98822	3.1
68.99579	2.7
69.03472	1.4
71.01379	31.6
71.51630	1.2
72.99303	2.4
73.02943	10.3
78.95899	1.7
80.91675	0.9
83.01385	6.9
85.02945	21.8
86.03305	0.9
87.00872	1.9
88.98815	5.3
89.02442	3.8
91.83411	0.8
95.01385	3.7
96.96014	4.3
97.02959	1.6
99.00887	4.5
101.02441	24.8
111.00874	1.1
112.01680	2.2
112.98579	2.8
113.02448	13.1
115.00358	1.2
125.02407	1.7
129.01941	1.2
133.01418	1.8
135.04509	3.2
143.03503	3.1
159.02948	1.9
159.04289	1.1
161.04579	6.7
161.05820	1.4
179.03429	0.9
187.07658	1.1
229.08723	1.5
231.10153	1.0
240.55865	0.9
241.00250	1.9
269.21179	1.3
275.09177	1.1
330.04974	1.1
331.24805	2.0
369.25989	0.9
371.24323	5.2
389.25403	42.2
390.25626	1.3
413.25406	67.9
414.25543	2.8
431.26450	25.0
449.27502	11.4
465.51904	1.0
535.32623	1.2
553.32056	1.1
574.29620	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2917
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
59.01380	4.1
61.98828	3.9
70.31779	1.3
70.32128	1.4
71.01382	1.5
77.90462	0.9
101.02430	0.9
117.03471	5.3
119.05022	10.6
121.03001	1.9
127.97470	0.8
133.02068	1.7
133.02966	22.1
134.03751	10.2
135.04530	39.5
136.04778	1.3
137.02477	6.0
139.03995	2.7
141.74170	0.9
145.02963	18.5
161.02448	48.7
162.02925	1.2
163.04027	8.8
178.02696	2.8
179.03508	19.6
191.62415	0.8
324.31503	0.9
359.22327	3.4
377.23340	2.6
431.24429	21.6
432.24930	1.1
433.25946	2.8
449.25473	21.4
450.25546	1.0
507.97345	1.0
595.29175	100.0
596.29480	9.7
618.23633	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39325	1.1
59.01373	1.4
61.98816	3.1
78.95907	14.4
88.32174	1.0
94.37017	1.1
96.96972	3.7
98.20671	2.0
108.85700	1.0
119.87456	1.0
121.02968	1.5
131.93582	1.0
132.02199	1.8
133.02966	27.5
134.03735	10.7
135.04529	33.6
137.02431	6.2
139.04007	1.8
152.99583	14.7
161.02446	92.2
162.02818	2.9
178.02692	2.0
179.03497	18.4
186.56270	1.0
229.42122	1.2
241.01207	5.7
267.64590	1.1
279.23279	13.5
297.11136	1.3
315.04892	2.0
328.94647	1.2
415.25327	2.0
433.25940	100.0
434.26212	7.2
595.29071	84.6
596.29309	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	595.2887
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
54.65922	0.6
55.33890	0.6
59.01374	1.3
61.98808	0.6
70.53407	1.7
70.53815	1.3
76.66716	0.6
77.01790	0.7
78.95901	68.1
80.91683	2.0
96.96960	13.7
98.19975	0.8
106.22697	0.6
135.04539	1.0
150.98013	0.9
152.99576	100.0
153.99889	1.4
161.02437	1.7
171.00668	2.6
176.93079	0.7
223.00095	11.5
241.01189	23.7
259.02203	2.4
260.44919	0.7
279.23279	62.2
280.23749	3.3
315.04846	17.2
333.05817	1.8
381.41980	0.7
399.53772	0.8
433.25723	1.5
511.32761	0.7
595.28857	90.9
596.29236	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	595.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32007	1.8
55.27732	3.0
59.01379	85.2
61.98817	9.4
66.53571	2.0
67.39905	1.9
71.01379	8.2
71.52477	1.9
73.02956	3.8
83.01355	2.8
84.31961	1.7
85.74183	1.9
92.68397	2.0
93.03468	3.4
96.96027	5.1
101.02415	3.9
108.02168	5.5
109.02945	2.6
113.02425	2.5
117.03429	2.3
121.02948	8.2
122.03746	4.4
123.04498	3.6
133.01440	2.7
133.02956	4.8
134.03716	7.6
135.04538	18.6
136.01663	32.0
137.02446	2.6
145.02914	5.6
147.04514	3.5
149.02444	22.4
149.06044	10.5
150.03223	74.9
151.04008	39.1
152.14708	1.9
159.04463	5.6
160.05267	4.6
161.02455	2.1
161.06070	4.2
162.03169	4.7
164.04771	9.7
165.05571	70.3
172.05338	3.7
173.06065	2.8
175.03954	4.2
175.07626	3.7
176.04849	5.2
177.01794	2.5
177.05551	5.8
187.03940	4.5
189.05460	5.5
190.06381	4.8
191.07108	8.4
195.06705	3.9
201.05531	2.8
203.07062	4.0
205.08713	3.1
214.82458	2.3
237.05624	3.3
239.07083	4.4
240.04199	2.3
241.00177	4.1
241.04916	2.8
252.04231	2.6
253.04976	5.9
253.08832	2.8
263.06943	2.5
265.05017	3.6
266.05667	2.8
267.06644	15.0
268.07306	4.3
269.04678	2.6
275.06989	4.0
277.08356	2.4
278.09540	2.7
279.06659	8.9
280.07245	5.4
281.04510	11.7
281.07892	4.0
282.05835	3.3
282.08905	15.3
283.09647	2.4
291.06509	4.3
293.08133	8.7
294.08975	8.3
296.06799	9.6
297.08124	4.3
297.11246	19.7
303.06595	2.2
304.07364	2.5
305.08179	5.3
307.06134	2.5
307.09335	2.7
308.07175	3.5
308.10587	3.8
309.07843	4.4
309.11276	42.4
310.08493	5.5
311.09204	23.8
312.09622	3.0
319.09430	3.4
320.06796	4.4
321.07571	11.6
321.10950	2.8
323.09161	5.8
323.12857	7.7
324.09952	5.1
325.10727	3.7
333.07950	3.0
335.09131	5.5
335.12836	4.9
336.09991	11.2
337.10895	2.8
339.12341	4.4
351.12213	6.1
369.13348	3.9
411.12299	3.8
424.09375	2.4
427.12140	4.9
433.22531	2.3
439.11572	3.1
455.15057	2.4
457.11853	13.4
460.78540	2.1
472.15240	14.0
475.17621	38.3
476.17810	4.5
487.17667	100.0
488.18060	6.1
499.18207	3.0
505.18640	13.9
517.18555	29.5
535.19666	32.5
547.19818	18.3
548.20306	2.6
562.18036	2.8
565.20691	37.7
577.20728	45.9
578.21173	6.9
595.24432	5.4
595.34528	3.0
612.38873	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	595.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	12.6
65.73725	0.6
69.18586	6.1
71.01381	4.3
73.02940	4.3
77.22583	0.6
83.01370	2.7
85.02979	0.6
87.83684	0.6
89.02422	1.9
93.03423	1.6
98.19862	1.2
101.02422	4.1
105.03448	0.7
108.02151	1.5
113.02428	1.2
119.04987	0.9
121.02948	11.0
121.06560	0.8
122.03738	5.8
123.04530	5.4
124.01633	0.8
125.02454	1.1
132.02200	1.6
133.02982	3.7
134.03757	1.6
135.04546	4.2
136.01645	0.8
136.05287	16.7
137.06055	2.9
143.03476	0.9
148.01666	0.6
149.02426	25.5
149.06056	2.9
150.03218	64.0
151.04025	11.9
151.07596	2.1
161.05981	0.6
162.03212	1.2
163.04010	1.0
164.04774	9.7
165.05563	40.1
166.05844	0.8
180.04303	2.9
181.05045	8.8
194.05775	0.9
195.06612	46.3
196.06964	1.5
204.04218	1.1
210.04724	0.7
219.06641	1.5
237.07666	1.5
239.07217	0.8
253.08801	0.9
254.09474	0.7
269.08081	1.5
283.09814	6.0
284.10422	2.2
299.09225	1.3
307.99930	0.6
308.10266	1.3
310.08490	0.9
311.09229	11.9
316.09375	1.1
323.13196	0.7
325.10794	4.7
343.11838	90.7
344.12234	6.4
352.09448	0.9
355.11737	0.7
367.11847	8.1
373.12866	1.1
378.65094	0.6
385.12955	2.5
391.13968	100.0
392.14368	6.9
415.14182	1.1
433.15030	0.7
454.54504	0.7
595.29309	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	12.3
71.01374	0.7
73.02952	1.1
87.53829	0.7
93.03448	0.8
95.01350	0.6
101.02435	0.9
108.02174	1.7
119.05015	1.7
121.02953	7.2
122.03740	5.1
123.04533	5.9
124.01645	1.0
131.36003	0.6
132.02179	1.4
133.02953	3.6
134.03700	2.8
135.04544	6.8
136.05292	18.6
137.06117	3.1
147.04488	0.9
148.01654	1.0
149.02432	17.3
149.06073	2.8
150.03218	60.9
151.04012	17.2
151.07607	3.7
162.03183	0.7
164.04787	5.9
165.05560	33.1
166.05882	1.6
180.04286	1.4
181.05054	10.3
193.05034	1.3
195.06609	46.3
196.06917	2.0
219.06570	1.0
241.08720	1.2
243.02829	0.9
255.02946	1.7
268.07193	0.7
269.08069	1.4
271.02481	4.5
283.09760	5.5
284.10501	2.2
299.09360	1.2
300.02661	5.8
301.03415	1.1
311.09235	12.2
316.09644	1.1
325.10699	2.0
343.11832	91.9
344.12253	6.2
357.13354	0.9
367.11850	2.8
373.12299	0.9
391.13956	100.0
392.14261	7.5
415.13901	0.8
595.12469	4.4
595.20746	7.2
596.13000	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24779	0.7
57.47686	0.6
59.01373	2.8
59.65141	0.7
61.98842	1.2
69.33908	6.7
70.98954	0.7
71.01379	1.0
78.95902	66.9
83.98552	0.8
85.50385	0.7
85.86266	0.8
87.58180	0.7
94.42393	0.7
96.96959	10.0
98.19939	1.7
106.42755	0.7
116.52612	0.7
119.05024	0.9
137.81593	0.8
144.90813	0.8
150.97992	1.5
152.99585	100.0
163.03929	1.8
171.00609	3.8
186.27267	0.8
223.00122	9.5
230.22552	0.8
231.97157	0.8
241.01180	27.3
259.02377	1.3
277.21713	48.9
278.22067	2.7
315.04834	16.8
333.05978	1.4
593.27325	93.0
594.27490	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	594.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84567	4.3
55.57999	4.4
57.09623	4.2
58.23026	4.3
60.53870	4.8
71.01378	13.1
71.51859	5.2
83.89294	4.4
115.00376	37.2
133.01436	100.0
133.02946	5.3
134.01743	6.5
135.02971	8.9
135.04535	24.9
136.04846	5.7
167.75813	4.1
179.03526	25.8
193.11502	4.8
274.27884	4.7
362.10385	5.1
415.14392	4.3
416.81808	5.0
439.18289	6.9
551.01349	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	593.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
69.45555	2.7
69.45952	0.6
74.11823	0.4
78.06779	0.4
92.46586	0.4
93.03436	1.9
106.04226	0.7
109.02934	0.4
111.00938	0.5
117.03477	1.1
119.05037	0.9
121.02955	9.7
122.03752	4.3
123.04588	0.4
124.01619	0.6
130.10158	0.4
132.02150	0.6
133.02905	2.0
134.03741	50.4
135.04607	2.0
136.01695	0.5
137.02448	7.0
139.03987	1.9
146.00591	0.4
147.04454	0.5
148.01729	0.5
149.02432	14.5
149.06081	11.2
150.03220	34.4
151.03687	0.8
164.04797	3.8
165.05565	37.6
166.05858	0.9
178.02710	27.5
179.03122	0.7
180.04268	2.3
181.05127	0.5
192.83159	0.4
193.05045	100.0
194.05370	2.8
195.06618	26.5
196.06926	1.3
205.06519	0.5
221.06076	1.1
223.07780	0.4
233.06050	0.9
234.06750	0.6
238.06256	0.5
239.07152	2.7
249.05539	0.4
250.06337	2.9
251.06863	0.4
252.07951	0.4
253.08675	1.4
254.09424	0.8
265.08789	0.4
267.06577	1.5
281.07993	0.5
282.08948	8.0
297.11237	1.2
309.62338	0.4
326.07816	0.4
341.10275	41.4
342.10602	2.3
370.17398	0.4
371.11359	0.8
389.12424	20.6
390.12744	1.2
473.66125	0.4
517.31995	0.4
593.18323	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	5.7
61.98824	1.6
70.70242	1.7
70.70588	0.8
96.96006	1.6
98.20550	0.8
101.02441	1.4
107.01380	2.0
132.02190	1.4
135.00935	1.2
135.04512	1.1
137.02423	1.7
137.06076	0.7
146.56114	0.7
151.00383	2.4
151.04059	0.9
159.04553	1.0
161.06110	0.8
163.00377	1.1
165.05496	0.9
174.43996	0.7
178.99881	1.2
181.05148	1.2
185.06158	0.7
187.04065	1.6
187.07635	0.9
201.05547	1.0
202.06345	2.6
209.04596	1.4
211.03951	2.1
227.03476	38.4
228.03839	1.1
229.05043	2.4
231.10258	2.3
239.03491	1.1
255.02983	74.2
256.03592	5.8
257.04486	2.1
275.09204	2.0
283.02628	1.2
284.03253	100.0
285.03964	21.9
290.84177	0.9
314.11179	0.8
413.08688	3.7
533.30170	0.8
593.15082	96.4
593.31165	3.6
594.15430	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	593.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.4
61.03746	0.5
67.93039	0.6
69.55814	2.9
69.56223	1.4
71.01398	1.0
73.02954	0.8
79.56699	0.5
81.03455	0.7
92.17165	0.5
92.90659	0.6
93.03471	1.6
98.00408	0.6
98.19937	1.1
105.03490	0.7
106.04207	0.7
108.02271	0.9
111.00889	1.2
119.05003	1.6
121.02962	10.1
122.03759	6.6
123.04523	5.8
125.02475	0.8
129.71805	0.6
132.02188	2.3
133.02962	5.1
134.03743	78.5
135.03053	1.0
135.04471	4.4
136.01654	2.4
137.02440	9.6
139.04018	2.5
147.04552	3.5
148.01712	0.6
148.05310	0.6
149.02446	19.3
149.06073	18.6
149.92534	0.6
150.03229	45.3
151.04015	19.6
153.05661	0.6
160.01678	6.4
161.02403	0.8
163.03966	0.9
164.04788	3.9
165.05568	42.6
166.05930	0.9
175.03996	7.9
176.04768	3.5
177.01884	1.1
178.02711	33.7
179.03041	0.9
180.04240	2.9
181.05075	16.3
191.07143	4.2
192.04327	2.9
193.05060	100.0
194.05469	3.4
195.04826	1.3
195.06616	25.2
196.06900	1.0
207.06610	1.9
217.05133	0.6
220.03709	0.8
235.06067	10.2
239.07253	1.3
250.06363	1.8
251.07040	0.9
252.07935	0.7
266.05276	0.8
267.06653	2.9
267.10370	0.6
282.08942	8.8
297.07593	1.2
297.11472	1.9
298.08405	0.8
341.10287	34.4
342.10797	1.7
345.02426	0.6
355.12061	0.9
371.11478	0.7
383.11420	3.8
384.11877	0.6
389.12421	60.8
390.12625	3.6
431.13586	2.2
533.17145	0.9
566.33264	0.7
593.18707	13.6
594.19141	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13097	0.4
51.30058	0.3
59.01385	0.8
65.00323	0.5
70.33211	0.8
72.32322	0.3
73.09412	0.3
83.01418	0.5
87.19363	0.4
91.01886	0.4
93.03458	1.1
96.04830	0.4
101.02452	0.3
107.01392	2.0
108.81708	0.4
109.02937	0.9
117.03538	0.4
119.01363	0.3
121.02921	0.4
132.02174	1.0
135.00899	1.6
137.02475	0.6
143.05042	1.1
145.02939	0.6
151.00365	3.5
159.04483	1.0
163.00365	2.0
164.01118	0.5
169.06590	0.7
171.04439	1.0
173.06146	0.6
182.03766	0.4
183.04575	0.7
185.02377	0.5
185.06099	1.6
187.04005	2.8
189.05547	1.3
190.99928	0.4
195.04489	0.5
197.06061	1.0
199.03984	1.2
200.04753	0.4
201.05534	0.7
202.06485	0.4
209.04544	0.7
211.04033	2.2
213.05531	2.4
215.03552	0.6
220.55293	0.4
227.03485	32.4
228.03975	1.1
229.05034	12.7
239.03477	1.5
240.04175	0.9
241.05066	2.0
255.02972	59.2
256.03607	5.5
257.04517	7.0
267.02969	0.9
283.02475	0.7
284.03250	69.1
285.04016	100.0
286.04416	4.3
321.25803	0.4
327.05023	1.5
345.14331	0.5
396.59262	0.4
468.10010	0.4
538.41180	0.4
593.15088	93.1
594.15472	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	593.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00637	0.2
59.01364	0.4
61.98843	0.4
70.10936	0.3
70.11332	0.6
71.01372	0.2
77.03964	0.3
91.01904	0.5
93.03450	0.4
98.30843	0.2
102.54170	0.2
110.28136	0.2
120.02138	1.1
120.02907	0.2
121.02956	100.0
122.03275	1.6
133.02919	0.2
135.04530	0.3
135.17067	0.2
136.01659	0.3
165.01927	5.0
179.03484	0.5
179.04921	0.2
180.05756	0.4
181.05077	0.3
181.06569	2.3
197.06053	2.1
199.07626	0.2
207.04482	0.8
209.04544	57.2
210.04878	1.6
225.05586	1.9
231.79974	0.2
257.09784	0.6
261.87604	0.2
301.08713	0.3
313.07300	1.6
319.08307	0.2
329.08276	0.3
329.11862	0.2
357.06158	1.0
373.10565	0.2
383.07709	1.3
401.08737	0.2
412.36761	0.2
417.09802	1.4
487.10284	0.2
505.11340	2.8
549.10382	8.2
550.10718	0.5
593.13000	10.3
594.13361	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01352	2.5
59.11071	0.9
71.01360	2.1
71.18755	1.7
73.02940	1.3
78.56026	0.9
85.02904	0.9
93.03450	3.7
100.80913	0.9
109.02964	0.8
117.03458	4.7
119.05000	2.3
121.02951	10.4
122.03760	5.5
123.04514	2.9
132.02167	1.1
133.02917	3.6
134.03741	60.2
135.04546	4.6
136.01669	2.2
137.02457	7.4
139.04002	2.4
147.04474	2.4
149.01292	1.3
149.02428	19.5
149.06084	16.9
150.03229	41.3
151.04030	9.8
160.01680	5.6
161.02374	2.5
162.68399	0.9
163.03943	2.5
164.04732	2.8
165.05565	40.9
166.05920	0.9
175.03995	8.3
176.04764	3.0
177.01863	2.2
177.05516	1.3
178.01233	1.7
178.02710	28.2
179.03542	1.4
180.04317	1.3
181.05069	8.6
191.07072	2.9
192.04230	1.4
193.05049	100.0
194.05301	3.0
195.06619	25.6
197.06000	1.1
205.04901	1.1
207.06566	1.5
217.05032	1.0
221.06100	1.0
224.08252	0.9
235.06018	8.5
238.06351	1.3
239.07031	2.9
245.04527	1.0
250.06256	2.1
251.07001	1.3
253.08607	1.4
267.06601	4.3
268.07181	1.0
282.05460	1.7
282.08865	6.7
283.05853	2.9
283.08661	1.0
295.06088	4.7
296.06735	1.6
297.07715	16.1
297.11044	1.8
298.07996	1.9
307.05893	1.8
309.07544	2.1
311.05423	2.5
322.04883	1.1
323.05377	2.0
325.07159	6.9
328.05823	2.2
335.05557	2.0
337.07199	2.6
339.04929	2.7
341.06409	1.5
341.10257	37.2
342.10416	2.5
353.06653	34.4
354.06992	2.1
355.07870	1.3
355.11938	1.4
356.05255	1.1
365.06412	3.9
383.03122	1.4
383.07614	19.5
383.11530	1.7
384.07822	1.5
389.12421	38.6
390.12567	2.4
395.07828	2.1
408.03375	0.9
413.08734	1.7
431.13538	1.4
442.09778	0.9
457.07712	1.2
473.10904	12.8
479.23679	0.9
479.45441	0.9
503.11591	2.0
593.14966	78.5
594.15149	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	592.261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23933	0.5
59.01379	43.8
61.98830	100.0
65.32477	0.5
71.01379	8.5
72.96459	0.5
73.02945	9.8
73.03345	0.6
83.01385	2.5
84.29590	0.5
85.02959	1.6
89.02444	7.9
101.02445	10.4
113.02438	5.5
119.03496	3.3
131.03497	0.9
143.03534	1.5
149.04602	1.5
157.58101	0.5
161.04564	3.8
162.35410	0.6
162.44061	0.5
179.05708	1.6
222.50372	0.5
368.75980	0.5
398.16531	0.5
485.27228	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24974	0.6
52.92131	0.6
59.01383	1.3
61.98831	100.0
71.01389	1.3
71.52823	0.8
74.42770	0.6
75.04532	0.6
75.26884	0.7
85.84673	0.6
104.02155	0.6
133.01489	0.7
133.02960	1.0
135.04549	3.0
177.01868	0.9
178.05127	1.0
179.03435	1.7
250.38257	0.7
308.79907	0.7
362.96204	0.8
594.15576	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56369	1.5
69.48661	4.8
69.49088	5.3
71.01380	9.5
72.99326	2.6
75.00870	15.2
87.45371	1.5
87.65396	1.3
89.02441	3.1
95.05038	1.6
96.32652	1.3
115.00373	29.9
128.99283	1.5
133.01439	100.0
133.02908	12.1
134.03711	2.7
135.02986	62.0
135.04517	23.2
161.02454	2.9
177.01924	7.8
179.03503	27.0
207.06549	1.6
295.04440	3.5
297.06174	9.8
571.00031	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.0
59.01379	100.0
61.98831	94.6
69.03436	2.1
71.01382	34.0
73.02946	63.7
83.01383	18.9
83.14268	1.6
85.02940	2.2
89.02444	11.2
95.01356	3.1
98.19893	6.9
101.02444	55.2
105.05923	1.7
113.02447	16.3
119.03478	4.8
119.24220	1.4
131.03505	4.9
136.06784	1.6
143.03494	4.9
149.04564	5.6
150.95309	1.6
161.04590	16.2
170.46135	1.5
221.06586	1.7
327.99188	1.6
471.79312	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16352	1.2
51.32301	1.0
59.01377	77.3
60.01699	2.2
61.98828	100.0
69.25719	10.5
71.01383	5.7
79.13265	1.2
80.21852	1.2
83.01422	1.4
85.02901	2.6
87.00863	1.0
89.02438	3.1
95.75951	1.1
96.95984	1.1
98.73891	1.3
101.02415	4.5
113.02430	4.0
161.04562	2.5
177.01596	1.4
192.00659	2.0
197.20981	1.2
224.17184	1.2
357.42953	1.2
379.44766	1.4
425.25256	2.6
443.26169	2.5
466.57303	1.5
485.27383	1.8
487.32462	1.6
488.33206	6.7
506.34113	1.8
513.49176	1.2
554.10156	1.4
592.15302	3.7
593.29132	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30340	2.6
59.01379	100.0
60.99310	2.3
61.98820	11.4
69.54629	5.7
69.55029	13.4
71.01385	20.6
72.99306	2.4
73.02940	5.8
75.72874	2.4
78.64606	2.5
82.98333	2.2
85.02960	7.6
88.98822	7.5
89.02449	6.1
96.95989	4.1
99.00895	3.2
100.85060	2.2
101.02445	14.9
113.02465	13.0
119.03499	2.2
120.79845	2.5
140.97011	2.9
161.04552	9.1
213.18629	5.8
307.76306	2.5
343.28665	5.3
487.32687	24.8
505.33664	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	591.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86458	1.8
57.03446	2.1
59.01379	100.0
61.98830	32.1
71.01376	15.2
73.02931	5.1
83.01391	2.9
85.02962	9.3
89.02448	4.7
95.01363	2.2
98.20660	3.6
99.00935	1.8
101.02444	9.6
113.02466	10.1
135.04520	1.9
143.03505	2.3
159.03032	2.0
161.04506	5.0
176.01085	4.0
192.00572	3.7
223.75856	1.8
243.15852	2.6
470.33487	2.0
487.32767	37.3
488.33139	3.4
505.33859	18.7
591.14783	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	591.2614
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
50.66447	0.5
59.01376	0.7
61.98841	2.5
63.56966	0.6
65.43668	0.6
78.95900	1.0
85.65379	0.4
98.20763	1.0
106.99128	0.5
110.04481	0.6
131.13934	0.5
133.23586	0.5
152.99565	1.1
167.86588	0.5
255.23233	2.4
396.17029	0.6
441.20743	0.5
443.22253	2.2
445.20435	2.0
455.22180	0.8
456.23334	0.7
457.20428	0.9
459.21912	1.9
469.23758	0.6
471.20987	1.5
471.25775	2.1
472.23132	1.5
473.23871	1.3
482.21246	1.9
485.19870	2.1
487.25696	2.6
488.22476	0.6
496.22876	0.6
497.23285	3.7
499.21597	3.7
500.22195	12.7
501.22287	1.1
504.21875	0.7
514.23566	1.3
515.24506	100.0
516.24908	8.3
518.23291	1.0
519.23608	0.6
522.89917	0.6
559.23206	4.2
606.17175	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47531	1.8
55.01877	2.2
57.03474	2.6
59.01379	100.0
60.01687	2.0
61.98834	15.2
65.03964	2.0
71.01379	26.7
71.52396	2.1
73.02943	9.9
75.00906	2.1
77.14176	1.8
83.01396	6.3
85.02961	12.3
87.00859	4.0
88.98803	13.3
89.02438	12.7
91.05542	3.6
91.09202	2.0
92.81545	2.1
95.01413	3.2
97.02934	2.4
99.00866	3.2
101.02442	14.0
107.05021	3.7
109.02956	2.0
113.02473	16.4
114.02869	2.1
125.02416	3.5
125.09733	4.2
128.62807	2.2
128.78970	2.1
133.01433	2.5
135.04477	6.3
137.02452	2.4
137.97742	1.9
143.03465	3.8
148.04077	2.4
159.11737	2.9
161.04556	6.9
175.07759	2.2
175.42970	2.0
176.01106	2.4
185.09663	3.7
192.00667	3.1
259.30499	2.1
297.97379	2.5
355.19016	4.1
487.32816	38.0
488.32916	2.8
491.83878	2.6
505.33664	14.2
591.14972	3.9
591.27863	15.7
591.38171	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	589.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96679	5.4
59.01376	69.4
61.98819	22.6
65.84892	6.1
67.86369	5.0
71.01372	34.9
71.52837	9.9
72.99254	5.4
73.02942	13.1
78.95901	20.1
85.02950	5.9
89.02456	10.5
98.78814	5.3
101.02431	18.6
113.02466	7.2
132.07518	5.5
135.04530	11.9
141.01631	7.4
154.64743	5.8
178.61377	6.3
182.81630	5.4
233.24580	5.8
323.25879	10.0
341.27148	12.4
503.31885	21.2
545.33276	100.0
546.33344	14.0
589.27698	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	589.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	3.4
57.93700	2.5
59.01379	100.0
60.01717	3.4
61.01810	4.4
61.98820	16.5
66.65076	2.5
71.01397	15.7
71.51913	4.3
71.52284	2.9
73.02945	8.1
78.95924	3.5
83.01384	2.9
85.02949	9.0
87.78342	2.4
88.98816	5.8
89.02455	4.1
89.40764	3.1
96.96032	3.2
99.56953	3.1
101.02436	11.1
105.03450	14.3
109.02981	7.3
113.02461	7.0
115.00398	5.7
121.30566	2.8
133.01563	2.5
133.02921	15.0
135.04498	4.1
136.04819	3.7
148.01717	2.8
149.02440	10.5
177.01910	23.3
179.03419	3.1
183.01219	24.5
209.04533	36.4
221.00880	3.2
253.09224	3.1
257.09329	3.8
277.11005	3.0
323.16998	3.2
339.05185	3.8
341.17938	4.5
503.23291	15.0
545.24164	46.5
545.33252	45.5
546.24432	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3511
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.8
59.01380	7.3
71.01377	1.9
71.05023	1.3
74.76920	0.6
78.95907	21.1
83.05021	1.0
83.67342	0.6
86.09159	0.6
93.07095	1.1
95.05029	2.3
96.96977	0.8
99.38212	0.6
109.06577	2.2
110.98531	15.0
111.08149	0.9
116.28469	0.8
119.08657	0.7
121.10239	5.8
127.07660	10.8
139.11336	1.1
152.99590	4.7
153.09225	2.8
155.10753	1.0
157.05011	1.7
165.09203	15.9
167.01129	6.6
171.10161	1.1
183.10258	100.0
184.10577	2.9
229.49181	0.7
255.23282	70.1
256.23627	3.6
281.24973	2.6
333.10992	1.7
405.24194	1.9
423.25204	11.0
532.04095	0.8
589.35114	22.0
590.35120	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70331	1.5
52.36291	1.2
59.01383	1.7
71.01381	16.0
72.99322	1.8
89.02415	1.7
99.38342	1.5
115.00376	31.4
121.02947	4.4
128.45544	1.3
133.01430	65.7
133.02911	11.1
134.03755	3.2
135.04515	24.3
137.02321	1.5
161.02432	14.6
162.88882	1.3
163.03990	2.9
177.01929	8.4
178.02618	2.4
179.03503	25.0
195.08157	2.1
211.07574	2.0
222.06773	2.1
223.07629	4.0
237.05620	2.1
239.07126	2.6
251.07152	2.8
261.39072	1.4
266.05685	1.4
267.06512	7.4
269.08157	10.5
273.14978	1.3
277.05121	2.2
288.94147	1.3
295.06110	10.8
311.05692	3.5
313.07205	15.9
330.95932	1.4
339.05078	100.0
340.05383	5.0
391.14108	1.6
429.08237	1.7
498.24203	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08689	1.0
69.78787	4.4
71.01376	11.9
72.99312	1.3
74.46062	1.0
89.02453	2.0
93.78704	0.9
115.00365	28.2
121.02962	4.5
133.01428	61.9
133.02885	5.6
134.01773	0.9
135.04517	13.3
152.12981	1.0
159.04523	0.9
161.02454	6.9
177.01921	2.5
178.02695	2.0
179.03500	9.9
193.06531	1.6
195.08157	2.6
211.07626	1.6
221.06023	1.9
223.07787	4.4
224.04796	1.4
237.05527	1.3
238.06412	1.1
239.07127	3.0
249.05527	1.8
250.06073	1.7
250.46092	1.4
251.07155	5.8
265.05060	1.2
266.05768	1.2
267.06570	8.7
269.08118	6.9
277.05026	1.5
295.06076	8.0
311.05490	3.7
313.07147	7.3
339.05066	100.0
340.05447	4.9
391.14050	1.2
392.20782	1.3
490.99963	1.0
491.95007	0.9
602.06653	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.0837
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	7.0
70.68573	2.8
70.68927	2.0
71.01382	36.0
72.99326	5.4
73.02988	1.5
78.98577	1.6
80.98162	1.6
82.69997	1.3
85.02907	1.3
87.00882	1.7
89.02438	2.6
95.05016	1.6
97.82953	1.4
104.34000	1.5
105.03490	9.0
105.04163	1.7
111.94702	1.3
113.02424	2.1
115.00377	64.9
121.02985	4.0
133.01433	89.6
133.02960	52.9
134.03748	12.3
135.04524	98.0
136.04794	1.9
137.02509	6.5
143.04985	1.2
149.44637	1.4
161.02443	85.7
162.02815	1.9
175.00381	1.9
176.01207	2.3
177.01921	37.3
178.02690	14.4
179.03499	76.6
180.03760	1.4
196.43169	1.5
251.07184	3.2
269.08179	11.6
295.06015	4.7
313.07205	45.5
314.07590	2.3
316.42126	1.3
339.05087	100.0
340.05386	4.1
369.05655	1.4
429.08194	3.1
569.72992	1.5
589.28845	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	588.23
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14901	1.4
55.92232	1.5
56.38200	1.3
59.01378	25.0
60.01709	1.7
61.98830	100.0
68.99571	3.9
69.21246	4.9
69.21661	9.8
71.01367	8.5
73.02934	4.5
79.15597	1.5
85.02957	1.6
89.54931	1.7
100.03430	1.4
101.02421	2.9
103.12334	1.6
104.93945	1.5
106.31884	1.6
112.98559	2.8
113.02419	3.0
125.02404	2.3
126.03003	1.5
134.23463	1.4
135.04509	2.9
150.20767	1.6
162.05412	1.6
183.01288	3.2
213.16502	3.1
259.11276	1.6
259.16998	2.0
277.18073	63.3
278.18378	3.0
301.18127	13.7
303.67300	1.5
319.19025	2.5
341.18225	2.3
344.89227	1.7
460.16312	1.7
523.73657	2.3
545.24139	10.7
586.36621	1.7
610.38281	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	588.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98212	0.7
61.98829	100.0
64.32596	0.7
67.64794	0.7
71.08964	1.4
71.09285	1.0
78.13954	0.7
78.95870	1.7
80.35012	0.7
87.44360	0.8
145.50131	0.8
152.99565	0.9
165.00325	0.9
192.52626	1.0
238.43799	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	19.5
71.01376	27.2
72.99291	2.2
73.02953	5.8
74.68848	1.4
83.01395	2.2
89.02442	4.4
89.52144	1.0
95.04996	1.5
96.96025	1.4
97.41090	1.4
98.20765	2.3
101.02461	6.9
102.94955	1.2
105.03462	5.4
113.02422	3.3
115.00367	37.8
119.03510	1.5
119.05000	1.8
121.02966	7.3
133.01418	48.1
133.02945	41.6
134.03740	9.8
135.04521	100.0
136.04877	2.0
137.02444	8.7
139.03998	1.8
149.04599	1.7
161.02448	18.2
161.04514	2.4
177.01917	32.3
178.02698	13.6
179.03485	99.9
180.03819	2.1
186.69795	1.3
223.07588	1.4
239.06953	2.7
251.07140	2.7
269.08096	10.8
283.05911	1.6
295.06207	5.7
311.05521	2.1
313.07147	26.3
337.18845	1.3
339.05060	33.7
340.05347	1.8
390.20053	1.3
429.08203	1.3
589.28314	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64133	0.3
59.01379	100.0
60.01712	0.4
61.98834	1.3
69.72309	1.8
71.01376	2.6
73.02956	1.1
83.01399	0.6
85.02966	1.3
87.00875	0.3
89.02467	0.4
95.01435	0.3
98.20038	0.6
99.00914	0.4
99.82978	0.2
101.02432	1.5
113.02479	1.3
118.98072	0.4
123.80711	0.3
150.72145	0.3
161.04514	0.5
180.59152	0.3
279.33182	0.3
371.91061	0.3
467.30109	8.9
468.30765	0.6
485.31363	4.2
527.32172	3.9
528.32788	0.4
614.37500	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75933	0.4
59.01378	100.0
60.01714	3.0
61.01809	1.8
61.98826	2.9
69.85188	2.2
71.01398	1.6
73.02948	0.6
80.40247	0.4
81.39586	0.4
83.01394	0.4
85.02950	0.6
98.20631	0.7
101.02447	1.1
113.02470	1.0
115.00318	0.6
133.01483	0.7
135.04549	0.7
317.22879	0.4
318.65286	0.5
467.30103	2.3
485.31381	1.5
511.60211	0.5
527.32068	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33487	0.5
59.01379	100.0
60.01709	0.6
61.84821	0.5
61.98834	2.2
64.38036	0.4
69.32862	3.8
71.01382	4.1
73.02951	0.8
80.96527	0.7
83.01398	0.6
85.02971	1.8
89.02441	2.1
96.57640	0.4
96.96017	4.6
101.02438	2.1
113.02483	1.6
115.00382	1.7
119.03527	1.4
133.01454	2.3
135.04553	0.9
142.63036	0.5
151.53000	0.4
161.04645	0.8
179.03517	0.8
179.05635	0.4
187.04124	0.5
231.27162	0.4
267.06503	0.6
304.66339	0.5
427.14157	0.7
437.71362	0.4
467.30054	3.6
483.29779	1.5
485.31113	3.0
527.32483	2.4
543.31873	0.6
587.26184	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62347	0.4
59.01382	100.0
60.01713	1.9
60.43852	0.4
61.01792	0.6
61.98828	1.7
66.84667	0.4
70.98267	0.7
70.98610	0.6
71.01400	1.4
73.02923	0.8
85.02960	0.9
88.98801	0.7
89.02493	0.5
101.02460	1.1
113.02473	1.2
115.00405	0.5
133.01422	0.7
135.04581	0.8
171.10278	0.5
181.29584	0.4
189.47162	0.4
406.96558	0.4
467.30139	4.2
485.31345	3.0
486.32028	0.6
527.31995	2.3
582.75940	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40923	4.5
51.54396	5.2
57.03448	10.8
59.01382	92.2
61.98829	35.1
70.38966	15.4
71.01391	14.1
80.24571	4.5
87.00879	5.6
101.02463	5.6
111.08141	4.5
113.02444	6.1
116.92867	25.9
117.91981	5.3
117.92871	14.6
118.92672	12.1
125.33077	5.2
127.11316	8.9
158.34589	5.3
167.14366	5.7
185.15413	6.5
210.54559	5.3
211.16974	9.4
215.08101	5.2
231.11435	10.7
246.10579	6.1
253.09160	5.6
257.09286	34.5
279.23285	16.1
291.19611	11.3
295.26453	29.7
338.21182	5.2
339.25421	100.0
340.25623	8.5
363.25439	9.6
424.18738	12.2
587.17072	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	587.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
69.26553	6.6
69.26939	1.6
71.01382	3.3
73.02961	1.0
85.02977	2.6
89.02482	1.4
95.01452	1.1
101.02451	1.4
113.02464	2.0
115.00393	1.0
119.03527	0.8
133.01462	2.6
133.68907	0.7
135.04448	0.7
152.01753	0.7
179.03542	1.4
281.24707	0.9
409.12979	0.7
433.75287	0.9
467.30136	8.5
485.31171	3.9
527.32361	2.9
587.28772	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.7
59.01380	100.0
60.01719	4.1
61.98831	16.1
71.01389	16.5
73.02950	5.4
78.95903	14.8
79.74856	1.5
80.91682	2.0
83.01421	2.0
85.02954	4.8
87.00876	2.0
88.98795	1.8
89.02449	7.3
96.96970	1.8
101.02444	10.8
113.02460	9.2
115.00377	2.1
116.92875	1.7
119.03463	4.1
125.02406	2.5
133.01421	2.6
133.02965	2.2
135.03056	1.8
135.04535	2.1
143.03471	1.8
143.07118	1.9
161.04575	4.1
171.10228	1.6
179.05634	4.0
192.99043	1.7
207.10284	2.9
221.06731	1.7
404.21024	2.0
425.30606	2.8
443.31772	5.1
451.17136	3.2
467.29425	2.1
483.29755	7.3
485.31760	4.0
501.30695	4.2
543.31042	1.8
587.20801	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	587.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01720	2.9
63.35653	2.0
71.01378	11.5
71.28745	2.5
73.92230	2.1
85.02949	5.0
89.02442	4.9
90.58736	1.9
101.02448	4.5
113.02452	10.8
121.42149	2.1
143.03593	2.8
146.46828	2.1
200.13965	2.1
232.14996	2.2
242.19960	2.3
395.24030	3.2
395.93039	2.3
483.29111	10.7
501.30664	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	586.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76478	0.7
59.01373	2.2
61.98831	100.0
71.08764	1.3
86.99379	0.8
133.02950	0.9
134.03789	2.0
135.04524	65.9
136.04861	1.1
161.02480	1.1
179.03494	72.0
180.03825	1.3
180.92909	0.7
183.72900	0.7
423.29108	0.6
523.29102	28.9
524.29523	2.6
586.29620	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97507	2.7
54.56321	2.3
59.01377	100.0
61.33509	2.5
61.98812	3.8
69.27631	4.7
69.28033	21.4
71.01395	14.2
73.02959	4.3
84.65810	2.6
85.02960	4.6
89.02446	2.8
96.95993	4.8
98.20616	5.1
101.02423	9.8
101.32222	3.2
113.02444	5.8
115.00385	7.6
115.32687	2.8
133.01428	12.3
135.04524	8.2
143.03505	2.7
145.20441	2.6
155.18491	2.8
187.03963	4.1
389.25421	20.9
483.29431	15.8
501.30737	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	587.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36979	3.7
55.96111	3.2
59.01378	100.0
64.95247	3.7
69.22854	6.8
69.23263	28.8
71.01378	15.0
73.02942	5.3
78.89147	3.6
80.52121	3.6
85.02930	11.1
89.02426	5.7
101.02451	8.0
113.02453	10.2
115.00408	5.0
116.92854	7.7
119.78370	3.7
133.01439	5.3
135.04564	6.0
153.02310	3.9
160.01579	3.7
389.25113	6.4
476.97476	4.0
483.29688	44.3
483.36292	7.2
501.30707	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	585.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	0.3
57.03452	0.5
59.01379	100.0
60.01720	0.5
61.98832	1.3
64.68357	0.2
69.47519	2.0
71.01381	3.4
73.02943	1.5
78.95899	1.7
83.01404	1.0
85.02943	1.9
85.06612	0.4
87.00925	0.3
87.88165	0.3
89.02463	0.7
95.01424	0.6
96.96020	0.3
99.00895	0.6
99.92617	0.3
101.02441	2.2
113.02448	2.7
113.03019	0.2
115.92075	0.5
116.92838	2.0
145.95273	0.3
158.07434	0.3
161.04581	0.7
277.21768	0.6
400.11548	0.3
415.72568	0.4
465.28540	15.4
466.29245	1.4
483.29584	5.8
483.35895	0.4
484.29752	0.5
525.30597	2.6
541.30560	0.9
556.45862	0.3
585.30396	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01718	2.3
60.41230	1.5
61.98825	11.2
62.37220	1.3
66.85265	1.8
69.53922	11.4
71.01391	9.9
73.02940	4.3
85.02959	2.3
89.02450	5.1
96.96043	1.7
100.63258	1.6
100.93246	1.6
101.02453	7.9
109.81034	1.7
113.02433	6.5
113.80862	1.7
130.30547	1.4
133.01477	1.8
146.57010	1.7
161.04483	3.1
198.88712	2.0
463.27017	3.1
481.28351	2.6
585.31512	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	585.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00559	0.4
59.01379	100.0
60.01718	0.7
61.98833	0.8
62.61380	0.4
69.17940	4.7
71.01383	1.8
73.02972	0.6
74.70126	0.4
74.73381	0.5
78.95916	0.5
85.02947	1.1
89.02482	0.5
101.02444	1.4
103.53561	0.4
113.02461	1.0
116.92889	1.4
161.04564	0.7
163.24040	0.5
215.08424	0.5
260.76920	0.5
410.69370	0.5
465.28558	7.3
474.46820	0.5
483.29767	3.3
525.30499	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96084	2.9
59.01379	100.0
61.98820	11.9
69.53227	5.2
69.53628	17.5
71.01387	14.9
73.02956	5.5
85.02959	6.8
89.02457	9.3
96.96003	3.8
101.02422	5.2
113.02422	4.6
115.00340	5.2
133.01414	9.6
135.04546	5.4
176.37634	3.2
187.07545	3.4
278.40973	3.3
283.09875	3.6
391.46167	3.2
481.28104	22.1
499.29242	14.3
585.13776	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	585.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54044	1.8
57.03448	2.3
59.01381	100.0
60.01717	2.5
61.01802	1.6
61.98829	3.8
71.01386	9.1
71.09590	3.5
71.09932	1.8
73.02948	5.0
83.01403	2.5
83.26419	1.7
85.02957	2.4
88.30009	1.8
89.02448	3.7
96.92991	1.7
96.96042	3.0
99.00973	2.4
99.92557	8.7
101.02441	7.8
113.02454	5.7
113.09541	1.7
115.92076	16.1
116.92866	62.6
117.92903	3.6
119.03478	2.7
123.04543	3.0
125.09735	3.2
137.09756	6.0
151.11247	13.5
153.12846	3.1
161.04564	2.2
162.47104	1.7
167.10724	2.5
169.12361	4.8
283.10773	1.9
337.19995	3.4
337.23871	55.8
338.24249	2.5
373.70587	2.0
465.28220	2.2
481.28061	2.0
541.17694	2.4
541.30444	8.5
585.16486	17.0
586.16040	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	585.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30177	2.4
52.20079	2.3
57.03445	2.7
58.78240	2.3
59.01377	100.0
61.98814	2.5
69.18095	11.6
69.18533	12.9
71.01387	22.2
73.02956	6.8
74.29640	2.5
83.01392	3.9
85.02950	8.6
89.02455	6.3
95.01411	2.2
95.73867	2.4
99.04455	2.2
101.02444	6.9
111.78506	2.6
112.45483	2.3
113.02472	11.6
115.00343	4.1
119.03590	2.3
133.01437	6.3
146.04408	2.5
296.27740	2.4
315.32889	2.1
442.65009	3.1
480.30219	2.4
481.28052	49.7
499.29370	16.5
527.99860	3.0
581.34216	3.0
585.29810	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	585.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27581	0.7
57.40133	0.7
59.01389	3.7
61.44243	0.7
61.98829	37.6
71.01369	3.6
71.52127	1.1
73.02937	0.8
79.79356	0.7
89.02452	1.3
93.03447	1.5
95.35860	0.7
95.60275	0.7
101.02416	1.0
108.02165	1.2
109.02973	1.1
115.00385	2.3
119.05022	1.0
121.02972	4.0
122.03745	2.3
123.04515	2.9
132.02196	0.7
133.01418	2.2
133.02962	3.0
134.03741	61.5
135.04614	1.5
136.01659	2.8
137.02451	10.2
139.04010	2.4
145.02924	1.6
147.04469	1.0
149.02446	7.7
149.06084	18.0
150.03238	14.9
150.06413	1.0
151.04018	10.0
157.78572	0.7
164.04745	2.1
165.05571	9.4
178.02705	37.4
179.03484	1.5
179.07132	2.3
181.05064	5.8
187.03931	0.8
190.50250	0.7
192.04277	6.3
193.05049	100.0
194.05342	2.4
195.06564	2.8
201.47379	0.8
207.06619	7.8
224.53310	0.8
241.00197	1.6
282.08936	1.1
297.11282	1.1
313.10785	0.8
329.10349	2.9
341.10336	2.3
359.11328	2.1
389.12500	2.7
407.11481	1.4
425.12112	1.1
433.16663	0.9
442.43280	0.8
443.13519	2.6
451.10437	2.0
489.16135	0.9
537.17963	2.9
549.17767	3.1
567.18445	6.4
585.19800	10.7
585.28650	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39934	0.3
59.01379	14.7
60.42750	0.2
61.98820	0.9
69.27427	0.4
69.27814	2.0
70.13358	0.2
71.01385	0.8
82.29926	0.2
84.93917	0.3
89.02445	0.3
91.12180	0.2
96.96001	2.2
98.20747	0.2
98.95592	1.9
99.00860	0.4
99.92580	17.0
100.92631	0.4
100.93376	0.8
101.02438	0.5
103.00385	0.4
114.93423	0.3
114.94872	0.4
115.92073	19.1
116.92858	100.0
117.92853	3.1
117.93541	0.3
140.92879	1.5
141.93628	0.7
142.94415	0.8
143.97781	0.2
156.92355	1.0
158.93927	0.7
159.04443	0.3
165.53938	0.3
170.93944	0.3
173.92679	0.3
174.93355	0.6
184.91811	3.7
184.95399	0.3
185.92548	0.7
186.93430	0.9
196.95457	0.8
321.11539	0.6
353.10611	0.4
376.60434	0.3
423.76419	0.3
428.69244	0.3
463.14355	0.5
481.15314	2.2
482.16302	0.6
499.16418	1.0
511.16275	1.1
523.16479	2.0
541.17590	2.3
585.16461	11.2
585.25818	0.6
586.16614	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88602	0.5
59.01382	1.1
61.98830	100.0
68.86592	0.6
71.01393	0.6
71.52818	0.8
80.09316	0.5
89.88663	0.6
90.68275	0.5
120.85751	0.5
127.66745	0.5
175.04105	0.9
220.80916	0.5
340.73242	0.5
363.39624	0.6
414.67249	0.6
521.31128	1.3
551.92542	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94336	0.6
59.01372	2.3
61.98832	100.0
71.09331	1.7
77.10695	0.9
78.03138	0.7
78.29378	0.9
78.95918	3.6
108.31096	0.6
133.67625	0.7
152.99615	1.8
213.53743	0.7
255.23306	2.5
318.63062	0.7
521.31592	1.0
584.20496	1.9
584.30560	2.4
585.37878	0.8
609.35840	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65244	0.3
59.01389	3.6
69.36152	0.3
69.36481	2.4
70.38266	0.3
71.01385	0.5
79.95722	0.4
93.20271	0.3
95.51418	0.3
96.96017	2.1
96.96986	0.3
98.95589	2.0
99.00851	0.7
99.92587	17.2
100.93366	2.4
103.00370	0.6
114.94917	0.4
115.92079	25.0
116.92863	100.0
117.92879	2.8
127.49078	0.3
132.92464	0.4
140.92860	0.5
141.93642	0.4
142.94421	1.5
158.93875	0.5
170.93961	0.5
174.93480	0.5
184.91824	2.0
184.95430	0.4
196.95485	0.5
202.13200	0.3
244.97739	0.3
259.96307	0.9
301.97501	0.4
321.11765	2.2
353.10471	0.6
442.09067	0.4
463.14319	1.0
464.14746	0.5
481.15356	6.5
481.22122	0.5
482.15710	0.7
499.16425	3.4
500.16458	0.5
511.16275	0.6
523.16357	2.3
541.17395	5.0
542.17377	0.4
549.14551	1.1
567.15338	0.6
579.49078	0.3
585.16431	12.4
586.16614	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80282	0.3
59.01379	100.0
60.01715	0.7
61.98830	1.3
69.73877	0.3
70.53720	1.2
71.01379	3.7
71.70518	0.4
72.99300	0.5
73.02958	1.3
73.51890	0.3
83.01411	0.4
85.02970	1.5
87.00879	0.4
89.02438	1.8
99.00907	0.3
101.02441	2.0
106.06674	0.3
109.06654	0.3
113.02449	2.9
119.03505	0.7
135.04576	0.6
135.08238	0.4
137.06087	0.4
146.85742	0.3
161.04588	1.0
177.56049	0.3
179.05647	0.4
201.42166	0.4
208.41158	0.3
319.22797	0.5
419.24780	0.4
463.27106	6.0
464.26785	0.4
481.28076	2.1
523.29297	0.6
565.24280	0.4
583.37531	0.7
588.76526	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06688	0.6
56.16615	0.6
59.01379	100.0
60.01726	0.9
61.98828	3.0
62.23208	0.6
64.13459	0.6
71.01386	4.1
73.02943	1.7
78.95911	1.6
83.01418	1.3
85.02959	1.9
89.02460	1.2
96.96007	5.1
101.02429	3.0
113.02474	2.1
119.03547	0.8
149.66031	0.6
161.04587	1.4
162.38768	0.6
230.29662	1.0
231.89769	0.6
335.22519	1.0
419.23834	0.8
463.26923	6.7
481.28055	3.3
523.29132	0.9
539.29553	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45400	1.2
55.14961	1.3
57.03442	5.4
59.01378	53.0
61.98827	20.8
65.61111	1.3
68.99479	1.5
69.25974	12.7
71.01375	13.2
73.02941	5.7
75.07328	1.3
83.01373	2.7
85.02943	5.8
87.00874	2.5
87.37137	1.1
89.02451	3.6
101.02456	5.0
113.02406	4.1
125.02441	1.7
225.55418	1.4
265.17984	2.4
291.23065	1.6
299.63681	1.4
317.21155	1.3
335.22287	13.9
408.67947	1.7
427.23593	1.7
479.26541	8.6
497.27527	35.1
498.28198	3.0
539.28577	100.0
540.28815	8.6
547.58685	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.5
59.01382	100.0
61.98837	14.8
69.64494	4.7
69.64912	2.8
71.01381	9.8
73.02941	5.7
73.03308	1.4
76.14352	1.6
85.02948	3.3
85.06590	1.3
89.02437	2.5
101.02431	6.6
112.36824	1.5
113.02441	3.9
133.01488	1.9
135.04579	2.7
137.02417	2.2
161.04628	2.4
172.56955	1.5
177.01926	2.0
204.23090	1.5
209.04558	2.0
247.02992	1.3
250.56194	1.3
263.14603	1.3
279.62012	1.4
281.19522	1.2
287.84381	1.5
323.70200	1.3
335.22211	5.4
479.26593	4.2
497.27512	14.3
539.28540	52.8
540.28864	3.6
543.77985	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	7.1
61.98828	100.0
63.73183	0.3
71.01391	1.0
71.51945	0.5
73.02958	0.4
85.02921	0.4
89.02454	0.3
96.95995	0.4
101.02461	0.8
113.02468	0.4
135.04552	0.8
192.78957	0.3
205.21127	0.3
249.33548	0.3
266.58951	0.3
288.63254	0.3
387.75015	0.3
396.48804	0.3
463.80106	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19649	0.5
57.03448	10.9
59.01376	1.0
61.98826	7.4
64.48969	0.5
68.49313	0.5
70.97007	0.9
71.01010	0.9
71.01381	13.6
77.60565	0.5
81.03471	0.6
83.01379	1.6
89.01601	0.6
93.03462	0.6
94.42936	0.5
94.86483	0.6
96.96020	0.8
108.02154	0.8
108.08207	0.9
109.02961	3.0
115.00374	27.1
115.79227	0.6
116.00724	0.8
119.04975	0.6
121.02940	0.9
123.04530	1.4
125.02444	100.0
126.02804	1.8
128.39725	0.5
133.01421	4.5
133.02925	1.2
135.04527	8.0
137.02492	1.3
145.02933	4.0
147.04578	1.3
149.02438	1.5
150.03172	2.2
151.03989	2.1
159.04544	0.7
161.02444	7.9
161.06088	0.6
162.03029	0.7
164.01112	1.9
165.01898	1.1
175.03979	2.6
177.01901	7.1
178.02672	1.0
179.03444	1.0
183.18988	0.5
185.06067	0.6
187.03995	2.5
198.69897	0.5
202.06360	0.5
202.43707	0.6
215.07135	0.8
243.06606	0.9
257.08243	0.8
271.06113	14.8
279.06741	0.8
287.05630	5.2
297.04630	0.7
297.07697	4.2
301.07278	1.9
313.07220	2.4
344.39954	0.6
349.07941	0.6
358.11575	2.0
382.65228	0.5
423.10825	41.5
424.11215	2.6
583.10950	1.9
584.10516	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02553	0.9
59.01379	100.0
61.98824	3.6
67.41940	1.0
71.01369	1.3
71.52587	0.9
77.61631	0.9
78.57224	0.8
78.85243	0.8
94.98106	2.6
205.30862	0.8
270.42200	1.0
425.46240	0.9
444.87741	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.9
59.80565	0.2
61.98828	100.0
71.01379	0.6
75.32963	0.2
78.95913	1.4
82.96108	0.2
83.64378	0.2
95.50085	0.2
115.00406	0.8
116.72337	0.2
133.01422	0.7
152.99579	0.4
177.24139	0.2
224.06937	0.4
229.41257	0.2
277.21677	0.3
279.23355	1.4
280.23697	0.7
290.58252	0.2
298.16202	0.3
303.23285	0.3
304.23682	0.7
313.02731	0.2
313.94183	0.3
383.49368	0.2
474.68085	0.3
500.28278	0.3
504.31143	1.0
507.32111	0.5
529.31720	1.1
581.26624	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.3
61.85683	0.2
61.98829	100.0
62.98516	0.2
70.53490	0.5
71.01401	0.2
78.95908	0.3
83.81753	0.2
102.02351	0.2
114.83184	0.2
152.99626	0.5
196.59590	0.2
206.33832	0.2
279.23303	2.2
280.23712	0.7
281.23907	0.4
282.24414	0.2
403.58780	0.2
504.31192	0.6
507.31589	0.3
520.16614	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
58.26991	0.6
59.01374	1.0
60.18859	0.5
63.96237	1.6
69.03456	1.1
70.97236	0.7
70.97581	1.2
71.01379	7.3
71.43571	0.5
73.02941	1.5
78.98589	5.4
79.95731	11.0
80.96515	67.3
85.02949	3.1
87.00879	2.2
94.98087	16.4
97.02956	1.8
99.00924	0.5
101.02447	3.3
106.77107	0.5
106.98075	3.3
122.97588	3.0
125.02456	2.7
127.04012	1.0
134.97601	4.7
136.99139	1.4
138.97900	0.5
148.99118	5.8
152.98639	5.3
164.98633	11.2
174.38982	0.5
206.99634	2.6
212.69896	0.5
224.98459	0.7
225.00719	15.6
281.24832	2.4
299.04388	3.3
333.13251	0.6
581.29956	100.0
582.30225	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01695	0.8
61.95385	0.4
61.98825	1.2
63.78723	0.4
71.01382	1.6
71.52183	0.8
73.02955	0.5
74.03609	0.5
89.02489	0.7
101.02428	0.6
106.06639	0.7
113.02470	1.1
121.02983	1.2
128.90257	0.5
133.01436	0.6
147.04582	1.1
152.07162	0.6
161.04657	1.1
182.31993	0.5
255.10385	0.7
269.08185	8.7
281.08264	1.8
282.08783	0.6
283.09900	3.2
283.13312	1.0
299.09268	6.4
299.14209	1.3
301.14511	1.6
311.09229	9.6
311.21680	0.5
312.09848	0.5
314.11581	12.7
315.12250	0.6
325.11050	1.5
326.11575	8.7
326.14975	0.7
329.13925	49.0
330.14188	2.7
341.13913	29.0
342.14435	1.7
343.13031	2.8
513.14038	0.5
520.32318	0.8
521.32660	1.4
581.28955	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1823
Annotation	Crinemodin-rhodoptilometrin bianthrone
Peak:m/z	Relative Intensity
59.01376	1.7
61.98825	3.5
62.96396	1.4
69.79987	3.8
69.93076	1.2
78.95902	100.0
82.34628	1.1
96.95997	2.2
96.96957	5.4
99.92567	11.4
100.93350	2.6
115.92075	38.8
116.92123	1.6
116.92860	28.3
123.01134	1.0
123.84740	1.0
142.94443	1.5
150.98001	3.3
152.99576	21.3
155.95203	1.4
164.90488	2.3
171.00647	14.1
172.95462	7.6
178.88419	15.1
179.89211	38.1
180.90018	25.7
194.87961	3.8
195.00739	1.3
196.87685	2.7
196.89474	49.9
197.89551	2.0
204.90074	1.9
205.90753	5.4
206.91547	3.5
208.51988	1.3
208.89445	2.7
212.89081	1.4
218.91599	1.6
221.90312	1.6
234.91100	1.6
235.91754	8.3
236.92612	28.9
252.92052	3.2
253.92812	1.7
270.93130	2.1
276.95700	4.2
278.93686	5.2
281.81366	1.2
292.95346	2.5
308.94589	1.4
310.96384	8.4
326.95624	1.4
473.13931	6.0
490.14157	6.3
533.16083	5.7
545.16156	6.0
563.17023	8.7
581.18219	73.0
582.18066	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	581.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	2.9
59.01375	1.3
64.25643	1.2
68.99832	1.4
69.03461	2.0
69.19054	6.2
69.19482	6.1
71.01379	3.8
73.02943	1.9
73.49948	1.2
76.95589	1.2
81.03459	14.1
81.91538	1.2
83.01382	12.5
93.01157	1.2
93.03433	2.8
95.01390	4.3
95.05009	6.3
97.02950	11.3
99.04515	7.7
101.02387	1.7
101.50198	1.3
107.05037	3.2
109.02946	7.6
111.04509	3.6
113.02462	3.9
117.03479	4.2
119.05045	3.7
121.02973	6.0
121.06596	1.4
123.04526	28.2
125.02449	45.7
125.06118	1.7
135.04532	5.8
137.02444	16.9
137.06090	3.7
138.03221	1.4
139.03999	5.6
147.04550	3.8
149.02431	3.3
149.06039	1.6
151.03986	8.5
153.05579	4.5
155.03494	2.6
163.03990	4.1
164.01173	1.7
165.01932	3.1
165.05556	4.6
166.02658	1.3
167.03493	57.4
175.03992	1.5
177.01862	1.7
177.05568	3.1
179.03534	16.2
181.05034	3.1
191.03535	4.0
193.05138	4.2
197.04552	21.0
203.03342	1.3
207.03104	1.8
209.04546	100.0
210.04898	3.7
221.04468	5.2
223.05975	1.5
239.05598	97.0
240.05916	2.3
251.05458	6.0
263.05582	1.5
267.06265	1.2
269.06656	48.2
276.37946	1.4
281.06631	10.9
293.06738	1.5
297.11334	2.3
299.07751	20.4
299.11331	2.8
307.04675	1.8
311.07736	10.6
329.08835	15.1
341.08719	3.4
359.09854	4.9
371.07709	40.5
372.08237	3.7
383.07819	1.7
401.08685	31.9
402.09320	1.9
419.11914	14.0
431.09814	10.8
443.09863	3.1
461.10931	19.3
462.11664	1.8
473.10855	5.3
491.12039	10.3
503.11838	1.5
521.13019	1.8
563.14374	2.6
581.15320	11.3
609.42688	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.4397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	15.1
59.64241	1.1
61.56538	1.1
61.57866	1.1
61.98826	3.3
71.01382	10.0
71.52379	1.8
73.02935	1.9
78.98595	7.0
79.95735	9.3
80.96516	63.4
83.01383	2.5
85.02944	2.5
87.00878	2.8
87.60421	1.1
93.57096	1.3
94.66932	1.2
94.98089	14.3
97.02985	1.4
97.31045	1.3
100.83802	1.2
101.02431	3.2
102.13219	1.2
104.40431	1.2
106.98094	3.7
121.98045	1.1
122.97533	3.3
125.02434	3.5
134.97627	5.7
136.99060	1.5
148.99164	7.2
152.98613	5.0
164.98605	8.7
169.62285	1.5
193.07059	1.7
198.15573	1.1
206.99704	2.1
225.00716	12.6
255.23170	1.6
279.23444	2.5
299.04449	2.4
303.23230	3.1
343.78735	1.4
447.27795	1.4
479.30222	6.3
579.28430	100.0
580.28564	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	580.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94673	0.4
58.00061	0.5
59.01380	13.3
61.98829	10.5
63.99248	0.7
70.93698	0.8
71.01381	1.3
75.16016	0.4
78.95908	6.2
78.98573	0.8
79.95734	1.1
80.96520	8.0
94.98072	1.8
101.02458	0.8
122.97546	0.6
148.99213	0.7
152.99609	1.1
164.98615	0.9
168.04324	1.3
224.06903	0.7
224.10829	0.4
225.00725	1.3
226.00896	0.6
230.36769	0.4
236.92606	0.5
242.07971	1.2
281.24847	100.0
282.25177	5.0
326.23260	0.5
454.98734	0.5
479.30243	0.6
506.32495	29.9
507.32822	2.5
580.28760	14.9
581.18365	0.7
581.28729	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.4
57.03449	4.5
58.00598	2.5
59.01381	100.0
60.01717	0.8
61.98828	3.7
62.51112	0.6
69.03458	1.4
71.01383	49.6
71.52325	1.2
72.10068	0.5
72.99313	2.8
73.02946	12.2
75.00862	0.6
78.48837	0.5
81.03456	0.7
81.07118	0.8
83.01389	6.5
83.05025	1.0
85.02953	15.2
85.06594	0.8
87.00883	4.4
87.04510	0.7
89.02444	29.3
93.07113	3.4
93.31966	0.6
95.01390	4.7
96.96017	0.6
97.02961	1.4
97.06554	1.2
99.00880	2.8
101.02446	29.0
105.04240	0.6
111.00871	1.9
111.08166	0.8
113.02453	26.9
119.03509	12.3
125.02431	3.9
127.07626	0.8
129.01968	0.7
131.03549	1.4
131.49960	0.6
133.01434	1.0
135.04565	0.7
136.01691	1.5
137.02390	0.5
140.96187	0.5
143.03481	4.6
149.04558	1.2
151.04018	1.9
159.03024	0.9
161.04562	8.7
171.13860	1.3
176.65211	0.6
179.05637	6.3
188.04868	0.7
203.07172	0.9
227.16505	1.6
229.14366	0.8
243.16025	2.1
245.17555	14.4
246.17995	0.8
255.02913	0.9
257.17545	1.9
284.03229	0.8
285.04004	0.6
303.14752	0.7
327.12360	0.8
339.12378	2.9
344.12225	0.7
345.13092	1.0
357.26437	7.2
374.13678	0.5
375.13925	0.8
375.27505	9.8
389.21817	7.6
399.27652	1.2
407.22723	2.7
471.09390	0.5
501.30475	1.3
519.31732	96.4
520.32092	8.4
537.32770	33.5
537.41223	1.1
538.33197	2.7
561.21387	0.6
579.33850	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	579.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09998	0.3
57.53348	0.3
59.01366	0.7
61.98829	100.0
69.30457	2.9
71.01382	0.5
78.95918	0.8
172.45961	0.3
181.82904	0.3
230.97166	0.3
277.21838	1.1
278.22223	0.6
401.63657	0.4
502.29669	1.2
504.29715	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.4
57.03449	4.5
58.00598	2.5
59.01381	100.0
60.01717	0.8
61.98828	3.7
62.51112	0.6
69.03458	1.4
71.01383	49.6
71.52325	1.2
72.10068	0.5
72.99313	2.8
73.02946	12.2
75.00862	0.6
78.48837	0.5
81.03456	0.7
81.07118	0.8
83.01389	6.5
83.05025	1.0
85.02953	15.2
85.06594	0.8
87.00883	4.4
87.04510	0.7
89.02444	29.3
93.07113	3.4
93.31966	0.6
95.01390	4.7
96.96017	0.6
97.02961	1.4
97.06554	1.2
99.00880	2.8
101.02446	29.0
105.04240	0.6
111.00871	1.9
111.08166	0.8
113.02453	26.9
119.03509	12.3
125.02431	3.9
127.07626	0.8
129.01968	0.7
131.03549	1.4
131.49960	0.6
133.01434	1.0
135.04565	0.7
136.01691	1.5
137.02390	0.5
140.96187	0.5
143.03481	4.6
149.04558	1.2
151.04018	1.9
159.03024	0.9
161.04562	8.7
171.13860	1.3
176.65211	0.6
179.05637	6.3
188.04868	0.7
203.07172	0.9
227.16505	1.6
229.14366	0.8
243.16025	2.1
245.17555	14.4
246.17995	0.8
255.02913	0.9
257.17545	1.9
284.03229	0.8
285.04004	0.6
303.14752	0.7
327.12360	0.8
339.12378	2.9
344.12225	0.7
345.13092	1.0
357.26437	7.2
374.13678	0.5
375.13925	0.8
375.27505	9.8
389.21817	7.6
399.27652	1.2
407.22723	2.7
471.09390	0.5
501.30475	1.3
519.31732	96.4
520.32092	8.4
537.32770	33.5
537.41223	1.1
538.33197	2.7
561.21387	0.6
579.33850	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	579.3044
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04269	0.1
56.69001	0.1
59.01379	0.8
59.55564	0.1
61.98830	100.0
62.96006	0.1
63.41144	0.1
69.24738	1.2
78.68290	0.1
78.95921	0.4
84.89146	0.1
85.66909	0.1
128.78316	0.1
129.68745	0.1
132.09998	0.1
135.04515	0.1
140.36620	0.1
148.03784	0.1
152.99588	0.4
277.21710	2.1
278.22141	0.9
279.22479	0.4
280.22604	0.2
325.16388	0.1
502.29626	0.8
505.30478	0.4
579.31268	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.5
59.01373	0.8
63.96229	0.8
67.63959	0.4
69.03464	1.0
69.48782	2.9
71.01007	0.6
71.01382	6.9
72.00318	0.4
73.02964	1.8
73.74567	0.3
78.95918	0.6
78.98585	4.9
79.95741	10.6
80.96519	64.0
81.03490	0.5
85.02954	2.2
85.88057	0.4
87.00879	2.7
94.98086	14.0
96.96014	1.7
97.02970	1.2
98.19987	0.8
99.04498	0.5
101.02437	2.4
106.98087	3.0
113.02413	0.5
122.97588	3.3
125.02488	2.2
127.03993	0.6
133.02963	0.6
134.97595	5.1
135.04515	0.5
136.99130	1.4
145.02873	0.9
146.97670	0.5
148.99130	5.6
152.98640	5.2
152.99725	0.5
161.02414	1.2
164.98634	10.4
166.32570	0.5
167.00171	0.5
206.99687	2.1
225.00739	12.6
226.01027	0.4
239.86891	0.4
255.23250	0.6
279.23276	2.0
281.24658	0.5
282.65356	0.4
290.45004	0.5
299.04391	3.3
415.24982	0.4
433.25958	1.1
506.32358	0.6
579.28448	100.0
580.28827	6.8
591.47070	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.258
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	19.2
61.98835	20.4
65.26071	3.2
66.83286	2.9
69.18249	3.5
69.86589	13.9
71.01381	4.6
78.95900	100.0
96.96968	8.4
113.21620	3.7
135.04494	7.3
137.02466	4.1
152.99565	19.2
170.47945	4.0
171.00699	20.5
186.71776	4.0
192.05817	3.5
286.16263	3.5
307.19092	4.3
578.30322	3.9
579.23230	4.4
579.31500	61.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.208
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83406	0.4
61.97434	0.5
62.98241	0.4
66.30591	0.4
66.34692	0.5
66.75169	0.5
67.17702	0.5
69.08017	0.5
69.39474	4.4
76.57066	0.5
79.76617	0.5
108.02164	1.1
109.02950	20.4
109.03704	1.1
109.31106	0.5
118.65195	0.5
121.02937	1.6
134.55359	0.5
136.01654	20.4
137.02365	0.4
145.02954	1.4
147.45502	0.5
148.05247	0.7
148.66145	0.5
150.03255	0.7
151.04004	25.4
158.03802	0.6
158.18922	0.6
159.04500	1.3
160.05222	1.1
161.05984	0.7
163.04044	1.0
175.07584	1.5
178.06302	0.5
221.06049	0.5
238.06534	0.5
239.07152	4.0
249.05573	1.2
250.06310	1.2
266.05676	0.9
267.06607	44.1
268.06870	1.7
282.08969	46.1
283.09323	2.2
297.11304	100.0
298.11682	5.5
315.12350	5.8
327.12500	0.7
345.13412	46.4
346.13715	1.9
357.13434	12.2
358.13596	0.9
375.14447	5.1
477.53323	0.6
577.15802	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.208
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34343	0.9
62.10558	1.0
70.85919	2.2
94.80843	1.0
108.02197	1.2
109.02938	21.5
113.35452	1.0
121.02929	2.8
122.03699	1.8
123.00947	1.4
136.01654	28.5
143.32161	1.2
145.03070	1.6
149.02423	1.2
150.03271	1.6
151.04008	29.8
159.04521	2.2
160.05344	1.8
165.05531	1.1
175.03981	1.5
175.07564	1.1
176.04678	1.3
178.06390	1.2
189.05534	1.8
190.06340	2.1
191.07124	1.9
239.07076	4.4
250.06429	1.4
266.05847	1.5
267.06595	42.3
268.06924	3.2
279.06570	3.7
282.08948	43.5
283.09186	2.6
294.08960	1.8
297.11292	100.0
298.11542	3.9
309.11246	1.3
312.09979	4.4
315.12473	3.3
324.46875	1.0
327.12320	21.6
328.12543	1.0
335.79449	0.9
338.20236	1.2
342.10986	1.7
345.13406	48.1
346.13748	2.8
357.13391	19.2
375.14468	13.7
481.13641	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40050	2.4
59.01373	15.9
66.85060	2.3
70.63819	2.3
70.64143	5.4
71.01357	2.2
74.10425	2.3
76.93692	2.2
88.89749	2.3
89.51875	2.4
101.02397	2.3
109.02948	12.6
121.02918	8.3
122.03764	4.8
135.04504	2.7
136.01637	13.4
146.03745	5.6
149.02448	42.6
150.03229	42.5
151.04008	21.7
160.05254	3.3
161.06024	3.5
164.04773	11.6
165.05556	45.8
176.04805	2.7
179.07111	9.6
180.04243	2.5
191.07198	4.0
195.06633	28.1
251.70876	2.0
264.16107	2.1
267.06601	19.0
268.07169	4.4
277.16183	2.3
279.06384	5.3
282.09015	19.8
294.08749	3.0
297.07898	3.6
297.11282	53.0
298.11368	2.5
299.01993	2.7
309.11240	2.7
312.10043	23.0
327.12338	100.0
328.12820	5.4
339.12009	2.2
345.13321	25.0
357.13406	12.6
369.13437	9.1
375.14362	8.0
394.26129	2.4
468.50754	2.4
470.81287	2.8
474.10498	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	579.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33498	0.7
59.01367	2.1
64.76947	0.5
69.51918	1.8
69.52353	1.9
98.19868	0.8
108.02167	1.0
109.02953	21.6
109.03701	1.1
119.19675	0.6
120.99636	0.7
121.02942	2.6
122.03772	1.3
123.00909	1.5
123.04518	0.6
133.02948	0.7
136.01654	20.8
137.02455	0.9
145.02965	2.3
146.03729	4.2
147.04547	3.1
149.02443	2.8
150.03224	8.3
151.04013	23.0
152.04355	0.9
158.03827	0.7
159.04527	2.6
160.05347	4.1
161.06082	2.3
162.06773	0.6
163.04050	0.6
164.04742	1.5
165.05569	9.0
171.04526	0.6
172.05338	2.9
173.06029	0.9
174.03223	0.8
175.04002	7.4
175.07657	1.1
176.04799	6.3
178.06323	1.5
179.07117	1.3
187.04034	0.8
188.04836	0.7
189.05598	6.0
190.06343	6.7
191.07161	8.1
193.08675	2.4
193.50687	0.6
195.06631	6.3
205.08676	0.8
214.81302	0.6
215.56314	0.5
223.07697	0.8
239.07137	2.7
249.05476	1.0
250.06335	1.3
251.07111	2.6
261.05597	2.2
262.06262	1.3
263.07092	0.8
266.05820	1.8
266.09390	1.1
267.06607	26.7
268.06967	1.4
270.32050	0.6
278.05872	1.4
278.08862	0.6
279.06598	11.2
280.07056	0.7
282.08984	24.5
283.09265	1.1
293.08212	1.8
294.08926	7.6
297.07864	3.4
297.11292	49.6
298.11578	3.8
309.11267	2.2
312.06387	1.0
312.10028	18.6
313.10431	0.9
315.12402	5.2
327.12360	100.0
328.12738	5.7
345.13419	30.3
346.13525	0.8
357.13403	20.5
358.13715	1.7
375.10187	0.7
375.14551	9.4
387.14590	0.9
489.17587	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41258	1.3
55.01884	1.6
57.03445	1.5
58.00583	1.9
58.71174	1.3
59.01379	100.0
61.98825	5.5
68.81883	1.2
69.03453	2.7
71.01382	68.4
72.04541	2.9
72.99303	4.7
73.02946	72.2
78.83963	1.3
78.95940	1.2
78.98583	3.1
79.95742	3.7
80.96521	20.0
81.03468	1.6
82.96062	1.5
83.01390	26.7
84.04549	1.3
85.02960	10.7
87.00880	3.9
89.02441	20.6
94.98089	4.4
95.01382	3.4
97.02967	2.5
98.19903	4.3
99.00879	2.4
101.02442	66.0
113.01719	2.2
113.02449	30.2
119.03508	12.4
120.06593	1.4
125.02430	4.3
131.03505	4.8
143.03506	6.1
148.99031	1.7
149.04526	3.8
152.98651	1.7
154.20703	1.4
155.03461	1.6
161.04558	16.5
164.98656	2.6
176.79562	1.3
179.05612	2.9
203.05531	1.6
221.06564	1.4
223.20624	2.5
225.00661	3.0
225.22235	21.7
226.00902	1.6
243.01521	1.4
253.21591	4.1
271.22754	19.2
291.64764	1.3
303.23233	2.5
308.25577	1.5
326.26990	53.0
327.27405	3.0
356.27933	10.1
374.29129	13.1
518.33325	29.3
527.82404	1.3
536.34363	25.4
578.27081	33.2
578.35553	17.9
579.26703	3.5
579.35614	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	579.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
57.94070	1.4
59.01373	3.7
67.05145	1.2
71.51420	2.3
94.03819	1.1
109.02948	23.2
110.03317	1.3
119.05026	2.9
121.02971	6.3
123.04456	1.6
134.03740	2.4
135.04533	8.9
136.01659	25.3
136.05301	16.9
145.02928	2.2
146.03693	1.6
151.03990	28.4
159.69139	1.2
160.05312	3.4
161.06032	3.2
162.03227	2.3
163.04134	1.7
171.04495	1.5
172.05360	1.3
175.04005	3.6
175.07555	2.0
176.04781	3.6
177.01883	6.5
177.05557	10.4
189.05545	3.6
190.06342	1.8
191.07130	4.1
193.05049	1.5
193.08711	1.4
195.04851	2.3
195.06618	45.1
195.46938	1.4
239.05359	11.3
249.05743	2.8
251.07115	1.7
267.06592	45.0
268.07071	1.8
279.06497	6.8
282.08963	43.7
283.09366	3.7
294.08896	3.2
297.11285	100.0
298.11868	3.0
309.11334	1.6
312.10059	10.2
315.12393	2.2
327.12350	38.1
327.16245	1.9
328.12708	1.8
339.07080	1.6
345.13412	42.2
357.13379	18.0
375.14484	27.4
376.14758	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	578.346
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37194	0.5
59.01379	23.7
59.36773	0.5
61.98820	2.6
63.96250	0.5
70.52839	1.0
70.53227	0.9
71.01385	1.9
76.58685	0.5
78.95902	25.9
78.98619	1.1
79.95743	2.1
80.74493	0.5
80.96516	13.4
81.00898	0.6
85.02942	0.5
91.28368	0.5
94.98086	2.4
97.02957	0.6
101.02439	0.7
105.23409	0.6
106.98058	0.7
116.57869	0.5
122.98547	0.7
125.02438	0.8
134.97559	0.8
148.99251	0.8
152.98505	1.0
152.99590	3.1
162.43304	0.6
164.98599	2.0
168.04298	3.9
224.06923	9.8
225.00775	1.5
242.07957	2.8
259.24298	0.8
261.22241	0.8
279.23273	100.0
280.23605	5.1
303.23306	10.5
304.23627	0.7
311.85999	0.6
383.00211	0.5
504.30954	66.2
505.31400	4.4
528.30884	12.3
528.43488	0.6
529.31384	1.1
578.27136	20.3
579.26819	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	578.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	4.4
61.98825	7.9
62.25325	0.7
70.57649	2.2
71.01379	1.7
78.55518	0.7
78.95903	100.0
96.96961	10.6
101.43285	0.8
118.69068	0.8
118.89601	0.7
122.98534	0.7
135.04527	1.1
140.01187	0.9
152.99582	17.0
167.14456	1.9
168.13866	0.9
171.00633	21.3
180.14558	0.7
211.13394	2.3
228.09987	0.7
241.17902	1.7
268.09628	3.9
366.16791	2.3
380.20712	0.8
578.30957	64.0
579.31213	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	578.318
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52477	0.4
59.01388	2.4
61.98830	100.0
69.27641	2.4
69.28043	1.1
71.01366	0.6
78.95921	1.5
78.98576	0.7
79.95736	1.0
80.96516	7.1
85.02959	0.5
88.93032	0.4
94.98096	1.4
101.02477	0.5
102.53191	0.5
140.35948	0.4
148.99146	0.5
152.98628	0.6
164.98615	0.8
224.07016	0.7
225.00844	1.2
279.23260	7.1
279.25995	0.6
280.23718	1.0
281.24252	0.6
299.04626	0.5
428.65723	0.5
455.15805	0.5
466.69711	0.5
504.30991	4.7
519.23309	0.5
579.28375	10.9
579.36603	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	14.6
69.44360	1.3
71.01407	0.3
76.40380	0.2
78.95901	5.8
79.95713	0.4
80.96516	2.8
94.98090	0.6
98.20612	0.4
101.80013	0.2
126.19409	0.3
148.99110	0.3
152.99596	1.0
168.04332	1.3
178.49295	0.3
180.01028	0.2
188.91699	0.3
224.06931	0.9
225.00771	0.4
238.30275	0.3
242.07893	2.4
244.42157	0.2
261.22083	0.3
279.23267	100.0
280.23584	4.5
314.60657	0.3
372.64752	0.3
504.30939	30.7
505.31171	1.9
530.10651	0.3
578.27130	4.4
578.35406	0.5
579.27118	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12897	0.7
57.03443	4.4
58.00595	1.2
59.01378	24.5
61.98825	5.3
65.83778	0.7
69.03448	2.3
71.01386	8.7
71.51494	1.3
73.02943	8.5
75.00851	1.3
83.01385	2.0
85.02943	2.3
87.00846	0.9
89.02419	0.8
96.95988	1.0
97.06583	0.9
101.02445	7.1
101.08669	0.8
109.06664	0.8
111.08168	6.8
113.02451	2.9
113.09687	1.1
125.09744	1.1
127.11301	10.7
137.09705	1.3
140.92601	0.8
149.09720	0.8
149.44301	0.8
153.09242	6.7
155.10692	1.0
164.55571	0.8
165.09219	1.4
167.10793	1.3
171.10263	100.0
171.13812	5.1
172.10582	1.4
183.10342	1.1
183.13951	1.0
195.10240	1.4
199.13260	0.9
201.11290	5.8
201.14960	25.4
209.04604	1.1
215.12758	1.9
229.27379	0.8
329.23303	2.8
337.23550	1.1
345.19070	2.4
355.24902	7.2
373.25925	54.9
374.26297	1.8
415.26715	1.0
457.27768	0.9
517.29999	1.3
533.29651	3.5
535.31055	1.7
577.32440	19.4
578.33099	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86741	1.2
55.01871	4.7
57.03429	2.8
58.00582	1.7
59.01377	100.0
60.01707	1.6
61.98820	5.4
70.03680	1.4
71.01383	50.3
71.51466	2.1
72.99292	3.2
73.02946	13.3
82.72853	1.3
83.01404	8.7
85.02957	17.9
87.00848	3.5
87.04503	2.6
89.02445	41.6
95.01372	2.9
96.96007	2.7
99.00834	2.9
100.55618	1.3
101.02438	34.9
101.81765	1.3
108.02156	2.1
109.02940	2.6
111.00882	2.7
113.02450	20.1
114.02739	1.5
115.00314	2.7
119.03506	18.0
120.01254	6.7
121.02953	4.7
123.00825	2.0
125.02402	2.8
129.01923	1.6
131.03496	2.8
133.01454	2.6
135.04564	2.8
136.01660	6.5
137.02455	3.9
143.03517	3.4
145.02867	1.6
147.04573	2.3
151.04012	11.3
152.01204	1.9
152.07190	1.6
153.04436	1.3
161.04558	11.1
163.04004	2.6
167.03462	2.7
177.02101	1.4
179.05624	13.9
188.04773	2.4
189.05528	1.7
231.10130	2.8
239.07233	2.6
255.06624	2.4
256.03723	1.7
267.06580	6.3
267.19681	2.6
268.07318	2.5
269.08139	4.7
281.08121	1.7
283.09720	3.7
285.07455	2.2
286.15784	1.4
298.08310	1.8
299.13028	1.7
311.09238	3.0
311.13043	2.0
313.10812	5.2
328.09531	1.8
340.09390	6.1
343.11838	24.4
355.07867	2.1
355.11871	16.1
355.25125	2.9
358.10510	2.8
373.08496	1.8
373.12936	28.1
374.13382	1.9
376.73877	1.5
427.13986	4.0
429.24817	9.7
441.24921	9.2
445.14752	5.3
481.28134	2.1
499.28714	10.4
517.30127	73.4
518.30493	3.7
533.20630	5.0
578.26410	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	577.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65001	2.9
57.03452	6.2
59.01383	87.1
61.98809	10.5
67.29096	2.6
69.37221	16.2
69.37642	6.5
71.01373	24.9
73.02953	16.7
83.01379	5.5
85.02944	5.9
87.00868	5.4
89.02453	10.9
96.96009	5.7
100.00130	2.4
101.02457	17.3
106.81645	2.7
111.08108	5.7
113.02424	9.2
127.11261	5.4
133.01411	3.1
135.04498	4.3
153.09213	3.3
161.04601	4.2
171.08818	4.2
171.10268	72.1
201.11246	4.1
201.14983	10.2
240.26958	3.2
294.50690	2.7
311.22153	3.1
329.23340	26.4
345.19043	9.0
355.24936	6.6
361.45474	3.1
363.20132	5.0
373.26126	20.2
473.27502	10.2
491.28461	25.8
517.29889	6.9
533.29645	100.0
534.30005	6.0
535.31030	3.0
577.32330	44.8
578.32343	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	577.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12897	0.7
57.03443	4.4
58.00595	1.2
59.01378	24.5
61.98825	5.3
65.83778	0.7
69.03448	2.3
71.01386	8.7
71.51494	1.3
73.02943	8.5
75.00851	1.3
83.01385	2.0
85.02943	2.3
87.00846	0.9
89.02419	0.8
96.95988	1.0
97.06583	0.9
101.02445	7.1
101.08669	0.8
109.06664	0.8
111.08168	6.8
113.02451	2.9
113.09687	1.1
125.09744	1.1
127.11301	10.7
137.09705	1.3
140.92601	0.8
149.09720	0.8
149.44301	0.8
153.09242	6.7
155.10692	1.0
164.55571	0.8
165.09219	1.4
167.10793	1.3
171.10263	100.0
171.13812	5.1
172.10582	1.4
183.10342	1.1
183.13951	1.0
195.10240	1.4
199.13260	0.9
201.11290	5.8
201.14960	25.4
209.04604	1.1
215.12758	1.9
229.27379	0.8
329.23303	2.8
337.23550	1.1
345.19070	2.4
355.24902	7.2
373.25925	54.9
374.26297	1.8
415.26715	1.0
457.27768	0.9
517.29999	1.3
533.29651	3.5
535.31055	1.7
577.32440	19.4
578.33099	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	5.8
61.98830	1.6
71.01371	2.5
71.52611	1.4
73.02932	2.9
102.64883	1.2
104.87022	1.1
113.09745	2.1
123.08238	1.3
125.09720	4.8
127.11249	2.4
138.97415	1.2
153.09190	2.1
155.10822	1.6
157.12402	1.3
171.10263	10.7
179.46910	1.1
185.11848	2.9
186.12553	2.4
229.14578	1.6
304.42078	1.3
311.22269	2.8
329.23322	100.0
330.23611	3.9
330.75604	1.3
343.24689	2.6
371.24081	2.0
556.19299	1.2
577.32465	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	2.9
61.98829	8.4
63.96230	1.3
65.00296	0.4
68.40456	0.4
69.03437	0.5
71.01381	7.0
73.02939	1.6
75.00449	0.5
78.95898	2.5
78.98586	6.3
79.95737	10.7
80.96515	69.8
81.03453	0.6
85.02957	2.9
87.00878	2.8
94.98083	15.4
96.95972	1.1
97.02950	1.5
99.00869	0.5
101.02442	2.4
106.98089	3.1
108.80730	0.5
113.02467	0.5
122.97569	3.0
125.02440	3.3
132.38991	0.5
134.97588	5.3
136.99141	0.9
148.99124	6.9
152.98618	5.6
152.99715	0.5
164.98621	11.3
167.00197	0.5
206.99678	1.9
224.06973	0.5
225.00723	13.4
251.56461	0.4
277.21790	1.6
279.23288	11.9
293.81839	0.5
299.04254	2.6
301.24509	0.5
303.23367	1.6
344.95023	0.5
504.30905	6.6
528.30811	1.5
577.26831	100.0
578.27155	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	577.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22300	0.5
57.09836	0.7
57.24847	0.6
59.01383	3.9
61.98832	18.2
63.96230	1.3
67.96525	0.6
70.52891	0.7
70.84016	1.9
71.01382	7.0
73.02943	1.0
78.95905	1.6
78.98601	5.7
79.95738	9.7
80.96517	65.8
81.03456	0.7
85.02940	2.2
87.00875	2.3
94.98082	15.7
96.96012	1.0
97.02948	1.3
101.02429	2.8
101.03013	0.7
106.98096	4.2
121.02985	0.9
122.97594	5.6
125.02438	2.0
134.97575	4.7
136.99144	1.5
148.99117	4.4
152.98630	6.8
164.98618	10.8
182.99646	2.5
206.99672	2.9
209.33693	0.7
209.55424	0.8
225.00745	14.7
229.25461	0.6
242.07938	0.9
243.01822	1.4
246.43726	0.6
277.21637	1.5
278.91278	0.8
279.23291	26.3
299.04440	2.7
303.23239	6.7
313.71069	0.6
504.30914	6.3
528.30719	3.6
577.26868	100.0
578.27148	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	577.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	7.0
59.10567	1.0
62.67030	1.1
66.28753	1.0
66.65019	1.3
70.89092	3.1
71.01367	2.6
73.02936	5.2
75.29114	1.0
78.15726	1.0
79.95704	1.1
83.51839	0.9
92.02771	1.2
101.02464	1.8
108.02173	1.6
121.02970	10.5
123.04514	2.6
134.44591	1.0
135.04535	3.3
145.02979	2.5
147.04506	2.9
181.37181	1.0
225.05495	1.9
237.05447	1.7
237.07660	2.2
239.07068	2.5
240.04303	1.7
241.05008	1.6
241.08745	1.9
251.07069	1.8
252.07838	1.3
253.05022	2.6
253.08662	2.8
254.05791	2.0
255.06575	7.1
267.06580	12.5
268.07327	5.7
269.08167	25.0
270.08713	1.6
280.07358	4.7
281.08157	7.1
282.08755	1.1
283.09747	15.2
284.10635	5.5
295.09723	8.7
296.10803	2.3
299.12949	2.2
310.08444	1.5
311.09207	14.2
311.12646	1.8
312.09772	1.7
313.06033	1.7
322.08328	1.5
325.07101	2.3
328.09494	8.8
339.08820	1.5
340.09494	19.6
343.11835	100.0
344.12082	4.9
355.11844	64.7
356.12265	3.3
357.13379	3.1
373.12881	10.7
385.12875	5.8
397.12836	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	577.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.5
60.02176	0.3
71.01377	0.5
73.02928	0.8
79.10031	0.3
89.02397	0.3
93.03450	0.8
101.02442	0.3
104.63998	0.3
108.02156	1.1
109.02975	0.3
121.02958	11.3
123.04514	2.1
134.03662	0.4
135.04500	1.7
145.02936	2.5
146.03763	0.5
147.04515	2.6
149.06084	0.7
154.05312	0.3
162.06804	0.9
168.86755	0.3
174.03203	0.5
175.07660	0.6
180.04372	0.3
183.04417	0.3
194.05827	1.0
210.06851	0.4
211.07571	1.3
213.05467	0.4
225.05582	0.9
225.09074	0.8
226.06393	0.8
227.07135	1.1
235.07607	0.4
236.04715	0.3
237.05540	1.1
238.06366	0.6
239.07077	2.3
240.04356	1.5
241.05037	1.6
241.08714	0.9
251.07155	1.0
252.07915	1.0
253.05057	2.2
253.08716	1.3
254.05852	1.7
255.06609	7.4
256.07300	0.7
257.08264	0.5
263.07083	1.2
264.07755	0.5
265.08652	1.2
266.05826	0.8
266.09537	0.4
267.06622	13.8
267.09595	0.7
268.07385	4.7
269.08182	23.0
270.08557	1.1
271.09888	0.4
279.06439	0.5
279.10266	0.8
280.07370	3.9
281.08179	7.5
282.08850	1.4
283.09760	11.4
284.10510	4.2
295.09723	6.8
296.07043	0.7
296.10455	3.2
297.11356	0.6
298.08533	0.4
299.12885	1.6
310.08441	1.4
311.09247	17.9
312.09805	1.2
323.09198	1.2
325.07190	1.6
325.10440	0.6
328.09509	8.4
335.26392	0.3
340.09515	24.4
341.09833	1.3
343.11850	100.0
344.12210	5.8
355.11856	65.3
356.12195	3.8
373.12897	12.5
374.13083	0.6
577.19165	4.2
581.32867	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86982	0.6
56.93680	0.5
57.87296	0.6
59.01110	0.8
59.01382	12.1
61.98809	0.9
69.60676	3.1
71.01379	5.3
73.02961	4.5
83.01376	1.3
85.02938	2.3
89.02444	1.3
93.03468	0.6
95.01367	1.2
96.95979	0.9
101.02453	4.1
108.02174	2.3
109.02917	0.9
113.02442	3.5
119.03482	0.8
121.02959	13.0
121.41511	0.7
123.04521	2.6
129.92107	0.6
134.03728	0.8
135.04529	2.5
136.01640	1.4
137.02455	1.7
143.03462	1.0
145.02925	2.6
147.04517	2.2
151.04002	1.2
161.02338	0.7
161.04593	0.6
162.06824	0.7
177.05539	1.4
194.05862	0.9
211.04132	0.8
211.07724	0.7
225.05563	1.6
225.09152	1.3
226.06174	0.6
227.07137	0.8
237.05536	2.2
237.07565	1.4
239.07120	2.8
240.04271	1.8
241.05046	2.2
241.08597	1.5
251.07074	0.7
252.07874	1.4
253.05043	2.2
253.08778	2.2
254.05836	1.9
255.06593	5.3
256.07260	0.7
263.07242	1.1
264.07846	1.1
265.05313	0.6
265.08783	1.7
267.06622	14.9
267.09720	0.6
268.07373	4.8
269.08200	25.7
270.08676	1.7
271.09863	0.9
280.07352	6.2
281.08160	9.8
282.08826	1.7
283.09753	15.7
284.10464	4.9
295.06400	1.3
295.09720	9.8
296.07324	0.7
296.10416	3.0
298.08478	0.9
299.12985	2.3
308.12183	0.5
310.08383	1.4
311.09262	16.6
311.12723	1.5
312.09781	1.0
313.05820	0.6
322.08481	1.3
323.09167	1.6
325.07104	1.7
325.10751	2.2
328.09497	8.6
337.11053	1.4
340.09494	23.8
341.09879	1.9
343.11844	100.0
344.12134	5.0
355.11865	71.3
355.16525	1.4
356.12152	4.0
357.13400	2.4
367.11908	0.9
373.12924	14.7
385.12979	5.3
397.12927	4.4
415.14038	0.8
499.29172	6.0
577.19141	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67485	0.7
53.22645	0.6
56.01865	0.7
57.65947	0.6
59.01379	31.8
61.98828	1.7
71.01375	2.8
77.58761	0.8
78.95902	32.0
80.59084	0.8
80.96524	3.5
87.77785	0.7
89.02466	0.8
94.98100	0.7
98.19871	1.9
107.46643	0.7
115.00364	0.7
122.98515	0.7
133.01486	1.2
141.87433	0.7
152.99571	4.5
168.04330	3.3
186.09181	0.7
202.22226	0.6
209.11539	0.6
209.80336	0.7
220.12221	0.6
224.06915	12.2
225.07068	0.8
233.22687	1.6
242.08035	4.2
259.20721	0.9
268.63330	0.8
277.21713	100.0
277.49078	0.7
278.22101	3.7
293.81219	0.7
342.31714	0.8
381.30219	0.7
445.01248	0.8
502.29395	80.1
503.29980	4.7
503.56635	0.7
504.21817	0.8
577.26935	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	12.8
69.37096	67.5
71.01363	12.6
75.00868	17.3
80.78954	8.0
88.45480	7.5
98.19807	13.3
98.20423	32.4
115.00337	14.5
119.05019	50.0
133.01408	29.9
134.03691	11.7
135.02992	100.0
135.04492	9.1
160.01630	12.9
163.04007	98.9
163.14421	8.4
175.04007	16.0
193.04987	18.1
208.96098	8.4
309.04120	11.9
335.02090	10.2
355.10165	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	576.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98137	0.3
59.01379	17.9
62.51289	0.3
69.20872	3.0
71.01356	0.3
78.95907	7.0
127.07642	0.3
152.99570	1.5
168.04303	1.7
224.06955	1.2
242.08012	2.7
259.20621	0.5
275.20297	0.4
277.21710	100.0
278.22058	5.0
502.29385	28.6
503.29538	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	25.6
61.98816	1.6
70.81980	1.4
71.01365	0.6
77.02046	0.4
78.95905	24.6
81.74778	0.5
90.96428	0.4
91.26094	0.6
96.96950	0.6
122.98570	0.5
138.63492	0.4
152.99571	3.9
168.04321	2.7
207.86310	0.5
224.06923	8.8
242.08002	2.9
259.20651	0.7
277.21716	100.0
278.22006	3.1
378.88324	0.4
413.20923	0.6
448.85715	0.5
456.72614	0.5
502.29404	68.1
503.29810	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	0.4
61.98829	100.0
67.58413	0.4
69.40125	1.3
69.40553	1.6
70.86447	0.3
71.01414	0.5
79.95753	0.4
80.96528	3.0
94.98082	0.4
152.98615	0.4
164.98653	0.4
182.37787	0.4
225.00764	0.5
226.97719	0.3
234.03496	0.3
278.22134	0.5
307.35291	0.4
424.76822	0.4
577.26904	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	576.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
58.97358	0.7
59.01078	1.0
59.01379	39.7
61.98829	100.0
71.01388	4.5
71.52267	1.3
71.69141	0.9
73.02940	2.8
78.63641	0.9
78.95894	1.1
85.02936	0.9
88.98784	1.3
89.02422	1.7
101.02447	4.1
113.02433	2.5
135.04475	1.5
161.04541	1.1
173.69543	0.9
187.35043	0.8
221.37904	0.8
409.25876	1.9
427.27332	1.9
469.28015	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	576.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30221	0.3
52.70721	0.3
59.01380	0.4
61.98832	100.0
62.36275	0.3
63.72778	0.2
69.24617	2.1
69.25029	0.6
71.01393	0.3
77.22865	0.3
79.95744	0.3
80.96513	3.3
89.81408	0.3
94.98110	0.6
98.20618	0.5
134.97572	0.3
137.47678	0.3
141.07932	0.3
148.99162	0.4
152.98752	0.3
164.98637	0.6
225.00882	0.5
277.21780	0.8
278.22244	1.1
279.22400	0.5
280.22818	0.5
291.94574	0.3
311.26331	0.3
383.53543	0.3
430.36490	0.3
577.26807	6.1
577.34882	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01711	1.5
61.72546	0.6
61.98829	98.1
65.99303	0.8
71.01375	9.6
71.11986	0.8
71.12355	0.7
71.52107	0.9
73.02929	2.4
77.38007	0.6
78.49519	0.7
78.95881	1.6
81.49117	0.6
83.01346	1.0
85.02946	3.5
89.02419	1.2
95.01344	0.7
99.00850	1.5
101.02461	4.5
113.02405	2.2
120.99652	1.1
135.04482	1.2
152.99519	1.1
161.04601	3.5
201.09076	1.9
253.09116	1.5
261.14578	1.3
265.09818	0.8
279.15866	1.6
279.18839	0.9
280.16113	1.0
327.25293	1.3
366.83368	0.7
371.24347	5.3
372.24213	3.2
409.13611	2.2
427.14621	3.2
469.16373	5.1
515.31726	1.1
516.32178	0.8
551.54681	0.8
575.34302	1.5
576.33624	2.7
577.30164	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01393	0.8
59.01381	15.3
61.14494	1.0
71.01375	3.8
73.02943	0.9
73.61058	0.7
76.02976	0.8
80.96500	0.8
89.02449	3.6
98.20683	1.5
101.02456	4.6
105.52379	0.7
106.50832	0.8
113.02433	1.7
119.03439	1.5
122.95564	0.9
141.67345	0.8
161.04576	1.7
235.08197	1.5
253.09315	13.8
279.23294	100.0
280.23663	4.5
286.72601	0.9
508.71313	0.9
529.34174	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2988
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	26.1
68.83018	5.0
69.45197	4.6
71.01415	7.5
71.52163	7.8
74.38746	4.4
84.85597	5.0
89.02435	9.3
98.18269	4.9
101.02444	5.2
129.65524	6.8
140.15804	6.0
206.13103	5.5
253.09248	19.0
279.23346	100.0
513.28284	5.5
548.22748	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	575.3358
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48060	0.9
59.01362	2.5
59.39766	0.9
68.46367	1.0
69.60017	7.1
71.05006	1.8
78.95903	80.3
81.63143	0.9
96.96008	1.4
96.96968	6.7
98.20589	1.3
109.06612	1.1
110.97947	0.9
110.98552	9.6
116.42629	1.2
121.10265	1.1
125.09688	1.3
127.07634	4.4
131.59758	1.1
143.07144	13.6
152.99580	58.6
163.95689	1.0
167.01164	7.8
169.08670	5.6
171.10268	71.2
183.10246	23.3
185.02206	2.3
253.21771	5.2
255.23280	100.0
256.23557	4.4
281.24866	6.8
319.09592	6.6
337.10699	1.7
339.12106	40.3
391.22549	27.1
409.23599	15.3
423.24948	1.6
575.33502	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	575.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36924	2.1
52.64065	1.8
59.01381	22.9
59.25057	2.6
60.08172	2.2
61.98820	9.6
70.81397	4.4
71.01385	10.1
73.02946	3.4
85.02928	3.8
89.60400	2.4
97.06572	2.2
98.15357	2.1
101.02451	5.2
105.03464	6.7
107.05016	2.0
109.02966	2.6
111.08178	3.0
112.04029	3.0
112.98560	2.5
113.02496	2.2
115.00369	2.5
125.09689	4.4
133.02971	3.7
134.03772	2.0
135.04491	12.4
137.02434	10.2
137.09706	3.1
148.04001	4.8
149.02419	3.1
149.04829	7.0
150.05612	12.8
161.04549	2.5
164.03499	3.3
165.09184	2.4
171.10228	7.3
177.01868	8.5
181.05038	3.2
185.48012	2.3
209.04547	16.6
217.09846	3.1
221.00856	2.1
243.10249	2.7
244.08377	3.0
245.09053	2.8
262.09592	5.2
299.14050	7.9
309.20621	4.2
327.21790	100.0
327.25388	7.3
328.22040	4.4
353.23608	2.8
368.43228	2.1
371.24387	11.6
394.17609	4.1
412.18747	28.5
413.20340	2.5
575.23853	3.3
575.31848	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15607	1.4
59.01372	3.4
60.99313	7.1
61.98818	4.9
63.94305	1.4
69.27345	11.2
71.01379	2.7
78.95906	2.0
79.35232	1.4
82.21997	1.3
83.55891	1.2
87.00895	3.0
87.99979	1.6
88.00414	15.6
88.04037	2.7
88.98270	2.8
88.98806	48.4
89.02448	100.0
98.04736	1.4
123.02921	1.5
148.90910	2.5
162.38965	1.5
182.38327	1.4
257.99997	1.6
321.93240	1.7
322.35907	1.6
324.97742	2.1
335.05237	1.6
460.40250	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71154	1.6
54.41693	1.3
59.01383	7.3
59.01617	1.2
59.41042	1.7
69.19364	14.0
70.03606	1.3
71.01391	2.3
73.02951	1.3
81.27469	1.4
83.05137	1.2
89.02495	1.4
97.78428	1.5
101.02435	2.1
130.08740	73.4
135.04546	3.1
145.02902	2.5
154.08710	2.1
177.39183	1.4
266.05899	1.8
267.06595	4.1
280.07468	3.5
281.08197	4.5
295.09650	5.3
295.12607	1.7
307.05972	2.7
322.08401	6.5
337.10770	8.2
366.16846	2.3
376.96210	1.6
377.16275	2.3
392.18484	3.4
394.16302	8.6
409.18948	2.1
424.21271	1.7
436.17401	3.9
453.17917	6.2
456.20746	2.6
468.20255	100.0
469.20908	6.6
486.21234	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	573.3926
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99543	28.1
70.75409	52.5
78.95898	75.3
82.64661	20.5
84.37955	23.7
96.96018	34.3
103.02877	20.7
103.53008	20.0
110.41645	25.1
112.98573	26.9
143.07137	70.0
152.99512	26.3
169.63046	23.5
196.89391	23.8
259.99631	21.3
276.40991	22.8
279.23309	100.0
282.57446	21.9
358.92838	23.7
380.85391	24.9
507.03403	23.0
573.32794	43.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
66.13855	4.6
67.95764	3.9
69.72643	9.0
69.73055	13.9
71.01378	17.6
89.95451	4.2
93.03455	24.6
96.73767	4.0
98.20625	8.3
114.64712	4.1
115.00339	28.0
119.05009	25.2
125.02439	5.8
133.01442	100.0
135.02965	8.3
135.04547	29.0
147.04449	9.2
149.06088	88.9
161.06090	10.2
163.04016	51.8
165.05666	4.9
175.03993	7.6
179.03502	22.8
184.51132	4.1
237.09010	4.9
255.10266	44.7
270.40799	4.2
295.04562	5.0
299.09286	43.8
303.93887	4.5
317.76865	4.4
343.08267	88.4
459.09448	4.5
470.60284	4.8
533.21655	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51101	3.1
71.01368	14.4
82.48518	2.8
115.00391	33.4
119.05005	18.0
133.01437	100.0
135.04536	20.9
136.19421	3.3
140.80162	3.3
149.06100	3.4
163.04031	32.5
179.03474	15.7
241.46622	3.0
250.86337	3.3
255.10289	5.6
279.05194	4.0
303.39166	3.1
343.08252	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	575.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	5.0
60.99008	1.0
60.99308	17.2
61.98818	1.1
62.74225	0.4
70.33495	0.4
71.01373	0.7
71.52076	0.8
88.98807	100.0
89.02441	0.9
101.02485	0.8
151.09006	0.5
361.76233	0.5
399.23755	0.5
411.33633	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19032	1.3
59.01109	2.4
59.01381	33.0
59.69578	1.3
60.99305	15.6
61.98829	18.3
65.35072	1.4
69.20292	6.8
69.20715	6.7
71.01383	4.3
74.25517	1.2
75.93730	1.4
88.98805	100.0
89.02457	2.2
93.93099	1.3
98.20743	1.5
98.58471	1.8
101.02424	4.1
130.05521	1.4
135.04521	1.8
140.29559	1.5
148.79066	1.3
188.73424	1.5
270.22443	1.4
395.77646	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.312
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69737	2.0
50.77337	1.7
59.01377	100.0
61.98837	2.2
71.01382	10.5
71.52496	2.3
72.60952	1.6
73.02955	5.0
74.56154	1.9
78.91895	3.9
83.01362	2.1
84.86924	1.5
85.02931	5.5
89.02435	2.9
96.96006	3.1
101.02425	5.2
107.19534	2.0
113.02460	3.3
115.00387	5.9
131.81229	1.8
133.01410	7.0
133.02960	2.3
135.02994	2.3
135.04529	6.8
166.74348	1.9
171.10349	2.8
176.21675	1.8
179.03485	3.9
190.62006	1.9
195.06557	2.3
196.63982	2.3
241.82312	1.9
310.02866	1.8
317.06540	4.6
329.23352	2.1
337.45108	1.9
354.52228	1.9
367.21033	3.7
373.25937	8.6
385.28796	2.2
411.13010	1.9
455.13409	1.9
467.30112	9.8
485.31091	7.7
511.28598	2.4
571.29230	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	572.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	32.3
60.99310	21.7
61.98844	5.8
69.17807	24.8
69.18233	18.9
71.01380	13.4
74.02470	6.6
83.77962	3.7
87.00882	12.2
88.00433	10.8
88.98802	90.8
89.02438	100.0
89.69050	4.2
92.05083	4.2
96.96024	9.0
98.19868	7.7
99.05611	4.7
101.02468	6.6
101.34124	4.1
115.00363	4.2
128.03580	5.4
133.01427	8.9
135.04523	10.1
143.04567	5.9
193.65274	4.1
272.09213	4.9
275.51025	4.6
279.29794	4.9
303.08829	5.2
307.08023	8.3
308.07507	11.9
317.06375	8.4
329.08557	4.9
348.51566	5.0
537.56909	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29103	2.5
59.01382	100.0
61.98838	14.0
69.26355	23.8
71.01385	10.8
73.02951	3.3
77.36496	2.5
78.95908	7.0
79.81467	2.2
83.01430	3.0
85.02933	5.9
89.02453	4.1
96.96014	4.4
96.96970	8.1
101.02462	6.0
113.02448	6.6
114.44563	2.4
126.90418	7.2
133.01416	4.1
133.02921	2.8
135.04486	3.9
177.01921	4.2
179.93892	2.9
186.72168	2.3
209.04504	2.5
302.91672	2.3
331.95670	2.7
365.78381	2.4
366.08511	2.7
390.94742	2.4
467.29999	7.0
527.31897	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	571.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53094	1.4
59.01378	100.0
61.98826	7.6
70.99711	2.6
71.01379	14.2
73.02945	4.3
83.01418	1.9
85.02955	7.2
87.04510	3.7
89.02445	4.9
101.02438	8.2
113.02448	12.4
135.04515	1.7
161.04538	2.1
211.13518	1.4
467.30124	44.5
468.30386	2.4
485.31046	10.4
527.32410	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	29.4
61.98825	23.7
69.51615	2.5
71.01385	3.7
71.52425	4.1
73.02968	3.3
78.95906	7.4
89.02473	3.0
89.06232	2.6
101.02487	5.4
105.06967	2.4
135.04523	2.9
135.18793	2.6
152.99539	4.7
253.09254	20.9
259.81033	2.7
261.22079	2.8
275.20142	100.0
276.20255	3.6
290.62955	3.2
357.50296	3.1
571.28979	5.5
572.32074	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17186	1.5
59.01380	100.0
60.01717	1.6
61.98830	2.6
69.03424	1.7
71.01384	35.8
71.51524	2.5
72.99294	3.1
73.02945	20.8
75.00869	2.7
83.01391	8.9
85.02953	7.2
87.00877	2.0
89.02438	13.0
96.96004	6.4
99.80241	1.6
99.92607	3.9
101.02457	27.8
113.02444	9.2
114.99584	1.7
115.00329	9.1
115.92044	2.0
116.92831	8.8
119.03493	4.2
125.02451	2.5
133.01427	14.8
133.02956	4.5
134.03746	3.5
135.02980	8.2
135.04503	17.6
137.02406	3.1
141.05522	2.0
143.03523	1.9
161.02376	1.8
161.04564	4.8
165.05539	1.6
171.11794	2.4
179.03497	14.7
231.10278	2.6
239.94737	1.7
243.17442	2.6
256.24414	1.8
264.55280	1.7
269.08099	2.6
277.10687	2.7
293.83063	1.7
357.18964	2.2
367.21112	8.5
373.25735	2.4
381.09460	1.8
405.55380	2.1
409.12714	2.0
411.14389	5.0
423.24051	2.7
527.24841	8.9
571.28204	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	571.2887
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
71.28432	0.9
78.95902	67.2
96.96361	1.2
96.96955	13.2
112.24858	0.5
137.63104	0.5
152.99580	57.6
174.31067	0.6
223.00174	2.8
241.01184	30.8
255.23286	68.8
256.23639	3.4
259.02081	0.8
315.04895	8.9
332.45145	0.6
333.06122	0.6
355.15900	0.6
385.62521	0.6
391.22604	6.1
571.28845	100.0
572.29236	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.20610	1.6
61.98810	2.8
69.37392	1.4
69.48311	1.3
71.01388	7.6
71.11823	3.3
73.02941	2.1
78.11330	1.4
83.01386	2.9
85.02946	4.3
89.02416	1.6
90.58464	1.4
96.95979	2.0
101.02412	3.6
113.02454	3.4
130.08728	16.0
133.01401	2.5
135.04517	3.8
147.38219	1.4
179.03511	4.1
197.60274	1.7
275.66193	1.5
337.10446	1.7
467.30136	8.7
467.36060	2.0
468.20273	19.7
471.31598	1.8
485.31070	6.9
527.32050	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.98827	12.9
64.70386	2.6
71.01379	10.9
71.51927	5.0
73.02939	3.2
78.95907	4.9
85.02961	3.8
96.95975	3.1
96.96966	3.3
101.02428	4.8
113.02455	4.4
119.03516	3.1
126.90424	10.6
128.03503	3.6
133.01413	5.5
135.04527	6.0
138.56641	2.6
177.01872	4.0
179.03410	2.5
181.05063	3.1
199.44722	2.6
209.04271	3.2
239.99927	2.8
245.97409	3.3
467.30011	7.6
485.31503	3.5
543.12878	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17186	1.5
59.01380	100.0
60.01717	1.6
61.98830	2.6
69.03424	1.7
71.01384	35.8
71.51524	2.5
72.99294	3.1
73.02945	20.8
75.00869	2.7
83.01391	8.9
85.02953	7.2
87.00877	2.0
89.02438	13.0
96.96004	6.4
99.80241	1.6
99.92607	3.9
101.02457	27.8
113.02444	9.2
114.99584	1.7
115.00329	9.1
115.92044	2.0
116.92831	8.8
119.03493	4.2
125.02451	2.5
133.01427	14.8
133.02956	4.5
134.03746	3.5
135.02980	8.2
135.04503	17.6
137.02406	3.1
141.05522	2.0
143.03523	1.9
161.02376	1.8
161.04564	4.8
165.05539	1.6
171.11794	2.4
179.03497	14.7
231.10278	2.6
239.94737	1.7
243.17442	2.6
256.24414	1.8
264.55280	1.7
269.08099	2.6
277.10687	2.7
293.83063	1.7
357.18964	2.2
367.21112	8.5
373.25735	2.4
381.09460	1.8
405.55380	2.1
409.12714	2.0
411.14389	5.0
423.24051	2.7
527.24841	8.9
571.28204	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	571.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.3
59.01380	100.0
61.46162	1.8
61.98823	4.0
68.31955	2.0
68.99542	2.4
69.44283	8.9
69.44696	4.5
70.38158	1.9
71.01381	30.1
72.99325	2.2
73.02943	14.6
83.01387	5.6
85.02950	6.8
87.00882	2.2
89.02433	13.3
96.95975	2.8
98.19901	4.0
99.00848	2.4
99.92609	1.9
101.02453	18.5
101.11092	2.1
109.02979	4.2
113.02477	8.8
115.00415	11.7
116.92865	3.6
133.01453	17.9
133.02954	4.2
134.03712	2.3
135.03020	5.4
135.04520	22.4
135.13029	2.1
136.36646	2.2
137.02426	3.0
146.03568	2.0
149.06087	1.8
151.03981	2.6
151.11668	1.8
159.04492	2.6
161.02528	2.5
161.04636	2.7
165.05571	2.0
175.07837	2.0
177.01926	7.2
179.03522	21.2
196.78488	1.8
203.10777	2.2
231.10168	4.6
268.11688	1.9
277.10785	4.5
373.26019	3.2
411.14243	4.8
455.13379	9.6
468.23001	2.2
527.25183	5.9
557.57861	2.2
571.28241	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	570.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88280	0.4
61.98830	100.0
69.32075	3.5
73.74552	0.4
78.95911	1.0
79.40961	0.5
98.19871	1.1
104.88616	0.4
129.70381	0.6
152.99690	0.9
232.68639	0.5
253.14702	0.6
309.05826	0.5
461.26114	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55804	1.2
59.01360	2.1
61.98829	100.0
70.57319	2.9
91.42178	1.0
101.02587	1.1
103.90232	1.1
116.40713	1.0
125.09712	1.0
211.71684	1.3
375.82312	1.1
380.05261	1.2
460.44464	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90947	0.5
54.11492	0.5
59.01384	2.5
61.49090	0.5
61.98832	100.0
64.44068	0.5
67.16162	0.5
68.23413	0.6
68.58031	0.5
71.52368	0.9
74.67915	0.5
78.95929	0.6
86.32368	0.6
92.50135	0.5
94.59650	0.5
114.82700	0.6
125.32788	0.6
153.41637	0.5
155.19576	0.6
167.07854	0.5
408.44632	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.5
61.98822	2.2
71.01382	4.4
78.95902	100.0
94.99068	2.2
98.59160	2.2
99.92585	31.8
110.98534	16.0
115.92075	17.6
116.92861	19.8
143.07137	6.6
151.01639	2.5
152.99577	4.6
157.46857	2.4
164.99562	3.0
167.01149	10.7
178.88440	24.1
179.89229	38.2
180.89981	14.6
181.90857	4.0
193.89102	3.4
193.90773	51.5
194.87813	3.5
194.91591	18.6
195.92293	2.4
196.89478	94.3
210.91014	4.6
235.91797	2.7
248.92659	2.6
249.93422	5.8
250.94177	36.7
251.94641	2.9
252.92159	3.2
255.23322	2.5
260.91397	2.1
266.93567	4.2
267.94574	3.7
277.21783	4.7
303.23145	3.0
324.42099	2.0
376.70270	1.8
389.93213	1.7
403.02148	4.8
416.03345	4.4
553.16711	23.3
567.14569	5.9
571.17749	39.7
572.18005	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	570.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
71.01385	8.2
78.95916	8.2
79.69578	2.9
95.81493	2.8
111.17485	2.8
133.02971	7.4
135.04518	5.7
152.99565	5.0
161.02437	40.4
175.67560	3.3
229.56119	3.1
241.01183	4.7
255.23228	8.7
283.19592	2.9
353.17123	3.1
415.24844	18.4
507.29614	52.4
570.40692	4.4
571.28668	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.0
59.01380	100.0
60.01705	2.6
61.01812	2.1
61.98844	6.4
71.01393	8.3
71.52788	1.3
73.02937	3.9
85.02944	3.1
89.02449	3.1
96.96018	1.7
97.02916	1.0
101.02439	6.2
104.69179	0.9
113.02439	4.0
119.03467	1.4
119.04981	0.8
126.33747	0.8
129.11267	0.9
133.01381	1.1
135.04475	3.3
141.01862	1.0
143.03575	1.0
150.30023	1.0
179.03471	1.1
215.07077	1.0
333.20755	1.7
465.28485	3.1
509.40042	1.1
569.21698	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01704	0.7
61.98832	0.8
64.28572	0.2
65.85218	0.2
66.74052	0.2
69.67583	1.1
71.01379	0.6
73.02944	0.2
85.02898	0.3
100.85362	0.2
101.02426	0.4
113.02468	0.3
135.04582	0.3
149.05304	0.2
161.04665	0.3
252.72299	0.2
326.48190	0.2
336.20316	0.2
346.44479	0.2
467.30362	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.4
59.01379	100.0
59.75699	0.4
60.01716	0.6
61.98831	3.1
67.15330	0.4
71.01389	1.2
71.51987	0.6
73.02954	0.7
82.95425	1.8
85.02955	0.5
85.50057	0.4
89.02448	0.5
90.55188	0.4
96.96021	0.5
101.02483	0.9
123.30544	0.4
133.64828	0.4
135.04614	0.6
163.44937	0.5
193.38971	0.4
199.35040	0.5
211.11130	0.4
212.93756	0.5
239.73508	0.5
241.83032	0.4
333.21143	0.5
492.91577	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98813	4.9
62.24255	1.3
67.08454	1.3
71.01378	8.1
73.02925	3.1
78.95903	1.7
85.02951	3.7
85.06581	1.8
89.02453	2.1
95.01398	1.4
96.96021	1.4
101.02435	5.9
113.02441	6.1
133.01425	2.1
135.04494	3.8
137.02382	1.5
141.43683	1.3
174.03276	1.7
178.02657	1.6
211.19279	1.4
230.28784	1.8
293.53134	1.3
298.96555	1.4
327.45065	1.6
374.87827	1.6
421.15140	1.3
460.91855	1.4
465.28647	11.2
483.29565	7.5
495.80118	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07204	1.4
59.01379	100.0
61.98815	9.1
62.43891	1.6
69.44068	13.7
71.01386	10.0
73.02937	4.6
78.95898	3.5
83.01391	2.1
85.02944	3.3
86.34740	1.8
89.02417	3.9
95.01412	1.8
96.96004	3.8
101.02425	8.2
113.02446	5.7
115.00377	2.4
121.06550	1.9
133.01408	2.3
134.03745	2.9
135.04460	4.6
153.60844	1.8
161.02365	2.4
164.67325	1.7
177.01961	1.8
188.65331	1.4
194.78545	1.9
349.57431	1.8
465.28482	4.8
483.29886	4.6
569.33643	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	569.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98819	2.8
62.06182	1.7
71.01376	11.2
71.52235	2.2
73.02939	2.4
83.01379	1.8
85.02949	3.9
87.60180	1.9
89.02435	3.4
91.42181	1.5
101.02416	4.6
113.02439	4.4
115.00375	5.7
128.91345	1.6
133.01436	10.4
133.02946	1.9
135.04518	8.0
177.01753	2.1
179.03430	4.2
203.69958	1.6
267.06439	2.4
312.06284	2.0
313.39438	1.7
344.56213	1.8
409.12802	5.5
465.28619	11.6
483.29355	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	569.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	14.0
61.98822	1.9
69.66711	5.4
69.67135	2.9
71.01376	4.7
73.02943	1.8
93.03449	5.6
95.33941	1.4
96.95996	1.6
101.02419	1.7
105.03426	1.8
108.02164	4.0
109.02941	2.3
115.00373	6.4
121.02959	18.5
122.03758	14.0
123.04513	9.3
128.97221	1.5
132.02185	1.4
133.01428	10.1
133.02951	4.1
134.03746	18.4
135.04533	15.0
136.01694	1.5
136.45645	1.4
145.02917	4.7
146.03705	3.6
147.04506	6.1
149.02451	21.3
149.06056	15.8
150.03221	100.0
151.04012	21.9
151.07762	1.4
151.36517	1.4
159.04523	2.3
161.02473	1.6
161.06075	2.7
162.06938	1.4
163.03972	2.3
164.04793	6.8
165.05571	75.6
166.05875	2.0
174.03137	2.3
175.03888	1.5
177.01868	2.4
177.05545	1.4
178.02664	1.7
179.03574	6.4
179.07137	17.2
180.04311	7.5
181.05055	19.9
181.74890	1.3
193.05138	2.2
195.04813	2.6
195.06616	44.8
207.06453	2.4
209.06001	1.9
211.07565	3.4
214.25342	1.3
225.05571	2.1
225.09264	1.6
227.07043	1.5
237.05499	3.2
239.07114	2.7
240.04243	5.6
241.05093	2.3
241.08586	2.2
251.07036	2.5
251.09448	1.8
253.05025	1.7
253.08821	2.2
254.05632	2.3
255.06593	7.9
259.32162	1.3
265.04950	1.9
265.08585	4.1
267.06586	17.3
267.10147	5.6
268.07297	4.9
269.08176	22.1
280.07416	2.7
281.08179	7.8
282.08856	4.0
283.09662	10.1
284.10312	4.0
295.05991	3.8
295.09708	7.1
296.06729	1.5
296.10330	1.3
297.07593	2.4
297.11276	4.1
298.08502	7.1
298.11420	1.8
310.08389	2.4
311.09238	17.0
312.09900	2.5
313.10822	6.5
323.09247	2.4
325.10757	4.2
326.07822	3.4
327.08487	3.5
328.09583	8.6
338.07840	2.3
340.09540	21.8
341.10251	25.3
342.10953	5.2
343.11859	86.6
344.12146	5.3
353.10391	6.2
354.10751	2.9
355.11865	54.3
356.12231	4.5
371.11197	4.7
373.12695	4.4
397.12799	5.6
409.13144	5.9
417.13275	4.3
423.57291	1.3
427.13943	5.3
427.50122	1.6
431.14954	20.1
432.15472	2.7
491.17154	35.2
492.17297	4.1
503.17123	16.5
521.18170	74.5
522.18469	5.2
533.18213	4.0
539.18915	3.9
551.19263	17.1
569.11670	2.6
569.20166	35.0
570.20258	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06630	1.6
59.01376	10.5
61.98822	3.1
71.01376	29.2
71.52187	1.7
72.99299	4.1
84.67896	1.7
85.02943	1.8
89.02438	4.5
96.96001	4.9
101.02433	2.3
101.03935	1.9
109.02935	3.2
115.00370	66.7
119.05050	3.6
129.03465	4.1
130.04178	2.2
131.04971	2.0
133.01434	91.7
133.02943	2.7
134.03716	4.0
135.04533	25.1
137.06044	2.2
145.02875	2.6
146.03746	4.2
147.04523	38.9
148.05345	8.6
149.06059	4.8
158.03700	9.2
159.04524	14.4
159.08125	1.6
160.05298	11.2
161.02415	4.4
162.03246	4.1
162.89587	2.2
162.91103	1.5
163.03993	2.0
172.05339	3.9
173.02444	6.4
173.05984	3.5
174.03165	11.2
174.06792	3.1
175.03996	91.2
176.04778	13.2
177.01929	3.2
177.05524	11.4
177.09258	2.8
179.03476	6.3
185.83008	1.6
187.03967	5.5
187.07587	9.2
189.05617	2.8
189.09224	41.7
190.09464	2.0
193.05023	4.1
201.09280	3.2
203.07199	2.2
211.07588	4.4
213.09395	1.6
215.07138	3.5
219.03001	2.8
220.03769	2.1
222.58708	1.8
225.09290	2.0
229.06210	2.6
229.08705	3.8
231.10217	1.7
267.06635	1.9
293.08151	4.0
302.05942	2.0
307.09808	2.0
317.08112	6.7
318.08762	4.3
321.11145	2.3
331.09680	2.8
332.10699	5.4
336.09921	2.1
337.14420	19.9
345.11023	2.2
347.12860	100.0
348.13348	5.7
365.14020	17.5
391.11914	16.3
409.12833	6.8
435.10635	2.7
443.95477	2.0
453.12463	2.1
509.23630	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	569.13
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82091	1.4
59.01375	8.1
61.98832	5.2
64.37640	1.5
69.20515	14.7
71.01382	32.0
72.99313	5.7
89.02460	3.2
90.40029	1.4
96.96040	1.9
101.02405	1.7
101.04012	1.5
109.02946	2.5
113.02416	3.2
115.00375	72.4
117.03445	1.5
119.05048	3.8
123.04522	2.1
125.02423	1.5
129.03465	4.7
133.01434	100.0
135.04535	15.0
145.02953	4.1
146.03720	4.8
147.04520	34.9
148.05324	7.6
148.06326	1.5
149.06097	5.4
150.03189	2.0
157.02992	5.1
158.03761	11.0
159.04524	17.5
160.01700	2.1
160.05312	10.4
161.02464	5.2
161.06009	1.9
162.03276	3.8
163.04115	2.4
172.05347	1.6
173.02379	4.5
173.06059	4.6
174.03247	10.8
174.06839	2.4
175.04008	86.4
175.07555	2.3
176.04776	16.3
177.01955	2.1
177.05603	12.8
179.03493	4.6
186.06828	1.5
187.04042	6.7
187.07608	8.7
189.05577	4.2
189.09225	40.0
191.06912	1.6
201.09225	2.2
203.03467	2.2
203.07059	2.3
211.07608	3.8
215.06985	1.9
219.02914	2.2
220.03645	1.8
229.08640	1.9
249.26413	1.5
293.08078	3.4
302.05881	2.4
303.06555	2.6
304.07095	1.6
317.08148	8.6
318.08621	2.3
332.10638	4.7
337.10696	3.0
337.14346	18.6
338.69565	1.6
347.12845	93.1
348.13208	5.2
357.08780	1.8
358.08481	2.0
365.13867	23.3
391.11960	14.2
409.12802	12.7
435.10733	5.2
453.12115	3.6
469.27737	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66129	0.9
54.71324	0.7
57.97555	2.9
59.01379	100.0
71.01385	7.1
73.02948	4.2
83.01384	1.7
83.06134	5.4
85.02955	3.1
91.40682	0.7
95.84604	0.7
98.20731	2.2
99.00883	0.8
101.02451	4.6
111.51133	0.7
113.02443	3.0
161.01743	1.9
161.04559	1.9
170.03941	5.3
204.02344	1.6
247.07874	4.8
317.17233	6.5
350.58459	0.9
359.18198	16.5
360.18597	0.9
402.19495	0.8
439.15359	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01172	1.2
56.00320	1.3
59.01387	6.3
71.01366	2.5
72.51753	1.2
83.84573	1.2
106.72007	1.2
109.02954	100.0
110.03316	1.9
114.27834	1.3
116.04793	1.4
118.65924	1.3
119.05042	2.6
121.02935	3.8
135.04503	2.9
137.06078	7.8
163.04027	1.4
181.05049	4.9
191.13194	1.3
202.93822	1.2
225.04030	19.2
562.22485	1.4
586.75153	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.98829	7.1
66.83903	2.2
71.01376	4.6
71.51568	2.5
73.02946	2.5
76.56313	2.5
80.25802	2.2
81.76039	2.5
114.39742	2.7
116.43554	2.8
130.82312	3.0
135.04573	5.0
159.04524	7.5
167.27145	2.3
177.48558	2.6
178.46991	2.4
201.03653	5.1
239.03189	3.0
319.22784	18.1
385.58804	2.6
436.05438	3.4
592.28918	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61219	0.3
51.67158	0.3
59.01378	100.0
60.01725	0.5
60.66750	0.3
61.98830	2.1
69.71198	0.6
69.71608	1.2
71.01385	1.7
73.02951	1.6
75.51531	0.3
83.01385	0.6
85.02971	0.4
89.02455	0.8
96.95998	0.3
101.02422	2.1
109.69222	0.3
113.02493	0.8
121.03004	0.4
134.03792	0.4
135.04549	1.0
141.05414	0.3
143.03505	0.3
161.02412	0.5
161.04610	0.5
177.01933	0.4
280.36581	0.3
309.42746	0.3
312.08810	0.3
490.24747	0.3
567.31946	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47885	0.6
55.95083	0.6
57.03449	11.2
59.01377	2.2
61.98816	2.2
65.03947	0.7
69.36803	1.9
69.37220	3.0
71.01385	16.5
79.36842	0.7
81.03465	1.0
83.01404	1.5
89.03968	0.9
93.03459	4.4
106.42252	0.6
107.05029	1.3
109.02951	3.3
115.00376	25.1
119.05023	7.7
121.02947	2.6
123.04492	2.3
124.01665	0.8
125.02447	100.0
126.02727	1.2
133.01422	5.1
133.02937	3.6
135.04532	2.5
137.02426	4.2
145.02940	0.9
147.04588	1.0
149.02428	4.6
150.03192	5.1
151.04012	9.1
159.04541	2.7
161.02444	12.0
162.18977	0.6
163.00505	0.7
163.04062	1.1
164.01180	12.8
165.01964	4.3
168.99554	0.6
169.06544	1.0
171.04515	2.8
173.06041	1.3
174.03181	1.0
175.03986	4.0
177.01927	47.6
178.02509	0.9
179.03494	1.9
185.01910	0.7
185.06052	0.8
187.04028	1.0
189.05553	0.8
197.06223	0.8
199.07710	1.0
211.07661	2.2
213.05452	0.8
215.07057	2.3
225.05621	0.6
231.06644	1.0
243.06941	0.7
255.06635	12.6
256.07053	1.3
257.08258	3.0
269.08087	0.7
281.08044	1.2
283.06223	2.1
284.06897	14.8
285.07675	31.0
286.07935	1.5
287.05573	2.7
305.08344	1.0
363.12393	1.9
407.11356	68.8
408.11703	4.8
451.10300	11.0
452.10660	0.8
567.29645	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81898	0.3
59.01379	100.0
60.01700	0.7
61.98831	20.3
63.99257	1.5
69.03443	0.4
71.01379	6.0
71.52666	0.6
73.02944	3.7
78.95905	20.7
83.01401	1.5
85.02951	1.2
89.02454	0.8
96.96958	6.0
99.00852	0.7
101.02440	3.4
113.02442	1.3
115.00375	1.4
119.03495	0.4
119.05056	0.4
125.02422	0.6
131.03520	0.4
133.01439	1.7
135.04562	1.4
137.02504	0.7
143.03496	1.0
161.01825	1.3
161.04626	0.8
170.03929	5.1
177.01868	0.4
178.02696	0.5
189.10393	0.4
191.99982	0.4
204.02397	1.7
205.03181	0.6
212.13663	0.5
234.61043	0.4
247.05290	0.7
247.07831	12.9
248.08450	0.7
259.35284	0.4
385.32217	0.4
403.22690	1.3
404.22824	3.0
421.14282	0.4
481.16382	2.7
565.27966	1.2
566.21613	0.5
566.28473	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	565.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.7
58.00583	0.7
59.01378	72.8
60.01703	0.6
60.94207	0.5
61.98831	6.4
69.03453	2.4
71.01380	22.4
71.51565	0.8
72.99314	2.1
73.02931	3.5
75.00875	1.0
78.95914	2.0
80.91695	0.7
81.03458	1.5
81.20081	0.6
83.01368	3.4
85.02950	7.0
86.00105	0.8
87.00860	3.2
89.02456	2.2
91.04009	0.6
95.01374	1.7
96.96014	1.1
96.96964	0.6
97.02961	1.7
99.00883	1.6
101.02454	6.5
112.01663	2.5
113.02453	5.4
115.00319	0.7
119.03447	0.7
124.01659	5.0
125.02464	6.0
133.01372	1.0
135.04535	1.9
137.02431	0.7
137.92209	0.5
143.03497	1.6
143.10779	0.7
161.04605	0.8
171.98947	0.6
177.01979	0.8
242.01851	0.6
256.09677	0.6
258.23666	0.5
258.27121	0.6
269.21146	3.7
271.22855	0.9
285.20697	1.6
287.22263	36.0
288.22531	1.3
299.22226	0.7
301.23898	1.4
329.23297	2.9
366.62759	0.7
413.25446	3.8
431.26468	100.0
432.26794	6.2
449.27527	20.4
449.33969	0.7
450.27863	0.9
473.27536	55.3
474.28226	4.0
491.21786	1.1
491.28613	17.0
492.28735	1.2
505.33130	2.0
523.34204	1.2
565.27155	1.0
565.35779	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	565.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51770	1.0
57.03456	1.3
58.00595	0.9
59.01379	82.5
60.01708	0.9
61.17284	0.9
61.98830	8.8
69.03456	2.7
70.27508	3.1
71.01382	27.2
72.99316	2.4
73.02940	4.8
75.00880	1.0
78.95901	3.0
80.91724	1.0
83.01394	4.1
85.02962	8.7
87.00873	3.0
89.02446	2.8
93.04504	1.0
95.01388	1.7
96.21940	1.0
97.02933	1.9
98.19869	1.2
99.00851	1.4
101.02441	8.2
112.01676	1.8
113.02462	6.9
115.00363	1.4
115.88807	0.9
124.01699	4.2
125.02437	7.0
127.11303	1.1
133.01459	1.8
135.04471	1.9
137.02464	1.0
143.03476	2.6
148.63748	1.0
159.04486	0.9
168.11145	0.9
201.62457	1.0
269.21149	3.4
285.21051	1.6
287.22281	38.4
288.22604	1.4
299.22192	1.2
301.23700	0.9
329.23273	4.0
413.25330	3.7
431.26486	100.0
432.26996	6.3
449.27591	20.2
450.27148	1.3
473.27542	57.1
474.27948	3.1
491.28522	18.6
505.32776	4.3
565.35913	4.1
566.88409	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2862
Annotation	Gypsophilin
Peak:m/z	Relative Intensity
57.03444	2.4
59.01379	11.6
61.22965	0.6
61.98822	1.8
71.01383	9.9
71.05019	0.7
71.52477	1.3
72.02744	0.6
73.02943	3.6
83.01379	1.9
83.05027	1.2
85.02928	4.3
86.47246	0.7
87.00904	0.9
89.02433	2.6
95.01388	1.0
96.95979	0.7
97.06537	1.2
99.00884	1.0
101.02431	5.6
113.02451	3.4
119.03521	1.0
134.15382	0.7
144.57213	0.6
161.04541	0.9
180.88618	0.6
251.61353	0.6
261.22095	1.3
277.21591	1.0
293.21088	0.8
305.21204	1.8
307.22821	2.1
323.22275	3.3
325.23746	1.3
339.21695	1.3
341.23389	1.1
342.40060	0.8
358.79245	0.7
367.21350	0.7
369.23392	0.9
403.23401	1.0
473.27240	0.7
485.27570	2.2
501.27396	1.8
503.28452	2.1
505.33777	0.8
519.27869	1.1
529.26398	2.6
547.19232	0.9
547.27527	14.8
548.27899	1.0
565.28589	100.0
566.29083	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	565.0479
Annotation	UDP-D-galactose
Peak:m/z	Relative Intensity
52.27884	0.3
55.83360	0.3
59.01369	0.3
60.99541	0.3
62.96413	0.9
69.71216	1.9
78.56832	0.3
78.95905	100.0
96.96962	37.2
107.35734	0.3
109.79507	0.3
111.02003	8.2
115.67190	0.3
120.96968	1.6
129.32347	0.3
138.98038	3.8
150.97993	3.1
158.92543	14.7
164.03516	0.4
174.98029	0.8
176.93628	1.0
185.75294	0.3
192.99088	1.4
211.00125	4.5
241.01167	8.0
266.19897	0.4
272.95715	4.2
280.02322	1.9
305.01755	1.1
320.97708	2.6
323.02838	60.1
324.03119	2.3
378.81158	0.4
380.80811	0.5
384.98364	5.0
402.99365	1.4
420.82465	0.6
421.82532	0.3
422.81970	0.8
472.68079	0.4
535.17560	0.3
565.04730	22.1
566.05389	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98822	16.3
64.07104	5.1
69.45156	36.7
71.01385	30.2
73.02946	23.2
85.02946	12.2
89.02451	6.7
93.46138	4.7
96.95973	9.0
97.29591	5.0
101.02475	14.0
113.02448	12.8
119.05026	7.3
133.01451	6.5
135.04486	9.2
146.15482	5.5
161.02298	4.9
161.04590	4.7
163.03979	6.6
231.64003	5.4
385.46512	6.2
445.53973	6.1
505.33325	11.2
565.27075	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	564.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.2
60.01715	0.3
61.98829	100.0
71.01367	1.3
73.02943	0.7
78.95901	6.7
85.02983	0.3
87.00892	0.2
89.02457	0.4
91.33344	0.2
96.96964	2.1
98.19909	0.9
101.02451	0.7
113.02508	0.3
133.01448	0.5
135.04535	0.2
165.05643	0.3
178.02751	0.2
182.09224	0.2
224.63766	0.2
403.22449	1.2
504.31863	0.3
564.34393	1.1
565.27765	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	563.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64998	0.6
55.01873	3.2
57.03444	3.0
58.00594	1.1
59.01380	100.0
61.98817	1.1
68.78979	0.5
69.03472	1.0
69.26226	5.0
71.01382	40.0
71.05010	1.2
72.99314	1.9
73.02949	15.6
78.91898	0.6
78.95918	0.7
83.01389	5.0
85.02951	15.1
85.73911	0.6
87.00892	2.9
89.02448	17.3
93.07132	1.2
95.01395	3.3
96.96038	1.5
97.02969	1.3
99.00872	3.1
100.83626	0.6
101.02443	24.0
111.00919	1.0
111.08162	1.0
113.02455	22.8
117.18473	0.5
119.03493	8.0
121.10278	0.7
124.01657	0.9
125.02467	1.9
131.03490	1.4
135.04501	1.1
143.03491	4.9
149.04559	0.9
149.13353	1.4
155.10855	0.7
155.14442	0.8
159.03008	2.2
161.04558	15.3
173.11827	1.7
177.01945	1.0
179.05579	5.3
183.13962	1.5
213.14931	1.5
227.16542	1.4
229.18063	6.3
231.85046	0.7
299.26157	0.7
306.98755	0.6
341.27057	5.6
355.43304	0.6
359.28058	11.2
383.28210	2.1
401.29321	1.4
429.24768	1.0
503.32245	61.3
504.32794	4.7
521.33319	23.4
522.34076	1.9
563.25598	3.0
563.32928	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20145	0.5
55.01871	1.7
57.03444	2.0
58.00613	0.9
59.01380	100.0
60.34576	0.6
61.98835	3.2
64.14027	0.6
69.03476	0.6
71.01382	33.0
72.99313	1.5
73.02943	10.9
78.91882	3.3
78.95917	1.3
80.91679	3.8
83.01389	5.9
83.01762	0.6
85.02956	13.2
85.62978	0.6
86.00082	0.7
87.00901	2.4
87.04496	0.7
89.02442	17.1
95.01414	2.1
97.02980	1.7
97.06606	0.9
99.00886	3.1
99.04510	0.7
101.02441	21.8
111.00918	1.8
112.01692	0.7
113.02453	17.9
119.03500	6.2
124.01680	1.2
125.02480	3.1
129.01944	0.8
131.03554	0.8
135.04572	0.8
135.37885	0.6
143.03468	3.6
157.08945	0.7
159.02966	1.5
159.10306	1.4
161.04559	8.6
162.15756	0.6
177.02010	1.3
178.68660	0.6
179.05621	3.4
211.17081	0.7
217.28802	0.6
225.30569	0.6
229.18449	0.7
286.31863	0.6
299.25909	1.4
311.26141	1.1
327.21786	0.9
329.27203	0.7
341.27036	4.3
359.27997	9.0
371.27875	0.7
401.29437	0.8
443.30490	1.1
455.30280	0.7
473.31680	1.7
485.31384	2.4
503.32272	61.9
504.32721	4.8
521.33295	29.0
522.34204	2.3
563.33466	2.5
584.18481	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44057	0.4
53.88209	0.4
53.93485	0.4
55.01879	2.0
57.03444	3.7
58.00586	1.9
59.01378	100.0
59.52755	0.4
60.01720	0.4
61.98833	1.1
69.03464	1.3
69.29519	2.7
71.01381	37.2
71.05051	0.6
72.99329	1.4
73.02945	12.6
75.00871	0.9
81.03461	0.5
83.01401	3.9
85.02950	15.6
85.55742	0.4
86.52978	0.4
87.00875	2.5
87.04531	1.4
89.02445	21.9
93.07088	1.9
95.01372	4.3
95.05060	0.4
97.02966	0.9
98.20614	0.7
99.00878	5.5
101.02440	22.6
106.02312	0.4
109.06591	0.5
110.11253	0.4
111.08167	2.8
113.02448	29.9
119.03497	11.2
119.04327	0.5
123.08170	0.6
125.02455	2.0
131.03526	1.1
133.06548	0.6
135.08209	1.5
137.69780	0.4
141.09264	0.4
143.03496	5.4
149.04549	0.9
153.09251	1.4
155.14378	3.8
159.03026	1.7
160.11111	0.4
161.04550	20.4
171.10295	0.4
178.04880	0.5
179.05609	9.7
183.13908	3.5
211.17204	0.4
213.14989	4.2
227.16505	4.4
229.18068	12.3
278.21094	0.4
283.22821	0.4
284.60364	0.4
323.25949	0.7
327.21759	0.5
327.25525	0.7
329.27115	1.0
341.26950	7.9
342.27332	0.7
357.26590	0.8
359.23520	0.6
359.27994	13.6
360.28415	0.5
383.28323	1.4
401.28879	0.8
425.29474	0.6
455.30334	0.5
503.32254	42.0
504.32727	2.7
521.33264	16.3
522.34137	1.5
563.25964	0.9
563.34583	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66882	1.3
56.07053	1.4
59.01381	13.0
61.98836	6.7
62.33515	1.3
70.53049	1.4
70.53365	2.4
71.01378	5.4
73.02950	2.7
82.54898	1.2
85.02948	1.8
89.02419	2.1
96.46761	1.3
99.92560	2.2
101.02476	2.1
104.83112	1.3
112.35197	1.4
113.02409	1.5
115.92052	1.6
116.92838	10.8
202.62329	1.3
216.10915	1.5
297.24124	3.0
313.23743	3.3
315.25388	100.0
316.25558	5.1
329.26849	3.3
357.26443	2.3
563.34070	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.5
59.01380	100.0
60.97193	2.6
61.98539	3.4
61.98830	50.5
69.30786	6.4
69.31210	16.4
71.01377	30.8
73.02970	14.5
73.24491	2.3
77.23109	2.2
78.95894	7.1
83.01398	3.5
85.02944	10.3
87.00895	3.7
89.02449	9.5
96.96004	2.8
99.00883	2.9
101.01854	3.0
101.02425	14.8
113.02433	9.1
115.00402	5.8
116.92879	3.8
133.01434	3.4
134.03679	2.7
135.04536	2.9
150.06874	3.5
161.04607	2.5
167.01794	3.1
209.11884	2.6
215.12976	2.6
228.51578	2.7
276.35324	2.6
315.25476	15.5
325.63290	2.8
326.02240	2.8
327.21710	5.4
341.26987	4.7
357.26260	5.8
358.26791	5.2
359.27948	13.6
429.24899	2.8
459.29575	4.9
477.30728	21.9
493.86304	3.2
503.32169	6.7
519.31787	71.6
520.32202	5.3
521.33081	9.0
563.25903	4.1
563.33954	40.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66093	3.4
59.01387	37.9
61.98830	13.4
65.00878	3.9
71.01392	9.1
71.52148	4.5
109.02986	3.8
113.02410	4.4
115.00412	5.3
119.64547	3.5
121.02962	20.1
134.03781	4.8
135.04532	10.5
137.02408	7.6
151.04059	4.4
159.04486	6.3
177.01921	8.7
181.05138	5.5
185.16618	3.7
187.07681	4.2
189.05553	7.0
202.06381	4.4
209.04573	6.4
231.10312	7.9
247.29176	4.2
254.05943	5.8
269.08139	40.3
270.09027	4.8
271.09937	4.9
281.08151	18.2
283.09708	12.3
299.09305	26.4
311.09195	36.7
314.11560	38.9
324.19287	3.5
326.08081	5.3
326.11511	17.3
329.10239	26.9
329.13947	100.0
341.10175	23.5
341.13943	47.2
356.12619	9.3
359.11353	14.1
371.14954	21.1
372.14984	3.4
383.14987	11.5
403.09833	4.2
503.15662	6.4
506.84985	3.7
563.18182	4.0
563.30280	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2992
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40598	0.6
57.03436	0.9
59.01381	3.7
60.99302	1.2
61.20099	0.8
62.98712	0.7
71.01374	1.5
72.02155	1.2
78.95903	45.1
83.05033	1.1
85.02958	6.1
85.06574	1.7
93.03434	0.9
95.05029	81.2
96.05381	0.9
96.95984	0.7
96.96950	4.0
98.20650	2.0
110.98537	16.1
111.08183	1.5
113.05361	1.4
113.06088	17.2
113.09698	0.9
125.70657	0.8
129.93275	0.7
134.98492	0.9
139.04019	3.9
143.07129	3.0
152.99583	21.8
157.05066	65.5
157.08693	36.6
167.01149	9.9
171.10255	17.2
185.02168	1.2
227.85391	0.9
242.26857	0.7
253.19142	0.7
255.23276	100.0
256.23633	3.3
261.75082	0.7
269.24686	1.3
307.09464	3.2
340.22540	0.8
353.20703	0.7
379.63937	0.6
389.48758	0.8
391.22507	7.5
405.24600	1.0
409.23767	4.0
423.25143	21.0
424.26324	0.8
563.32642	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96448	0.4
55.01869	1.4
56.95845	0.4
57.03445	3.7
58.00597	1.0
59.01378	52.1
61.98830	4.4
62.17535	0.5
69.03449	0.7
71.01381	18.8
71.51541	0.5
72.99296	1.2
73.02953	4.5
74.66152	0.5
75.00868	1.0
81.03452	0.5
83.01375	3.1
84.02071	0.5
84.77075	0.4
85.02951	8.4
85.06564	0.7
87.00855	3.4
88.98808	0.5
89.02441	6.6
93.07085	0.9
95.01385	1.4
96.95975	0.8
99.00875	4.0
99.08141	0.6
101.02438	11.8
111.00912	0.8
111.08136	0.5
113.02447	10.5
115.00375	0.6
119.03487	2.3
125.02419	0.9
135.04536	1.1
143.03427	0.7
143.10762	0.8
145.01903	0.5
145.02934	2.3
147.04535	0.7
149.71902	0.5
161.04541	5.5
177.01967	0.5
178.04599	0.6
185.93762	0.5
191.96614	0.6
193.39728	0.4
224.30235	0.5
229.18115	5.3
249.05461	0.6
265.05066	0.5
265.08777	0.9
266.05826	0.6
267.06635	1.6
267.10059	0.5
268.07410	1.0
275.07452	0.6
280.07370	1.7
281.08087	0.9
282.08951	3.4
283.09637	2.5
293.08228	3.0
294.09058	0.7
295.09778	4.2
309.11288	0.7
311.09140	3.7
312.09982	1.5
313.11053	0.9
314.07941	2.2
325.10703	0.9
326.11572	12.5
327.12265	7.5
340.09335	1.9
341.13925	10.2
341.26999	1.5
355.11911	6.0
359.28085	3.8
369.13419	1.5
380.38327	0.5
383.28018	0.9
401.28934	0.6
413.75375	0.6
445.15176	1.7
471.25192	0.6
473.14365	5.6
488.16922	7.4
489.17352	1.0
503.19232	100.0
503.30853	12.7
504.19531	6.9
504.32083	0.9
521.33411	4.9
564.09851	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53033	0.9
53.28169	0.9
53.75216	1.0
55.01863	1.3
59.01384	17.3
60.99305	16.5
67.03703	1.1
70.57453	0.9
71.01376	7.5
71.51434	1.5
73.02943	2.6
81.23237	1.1
83.01394	1.3
85.02946	3.8
87.61568	1.2
88.98808	100.0
89.02406	1.3
90.56179	1.1
91.76049	1.1
101.02464	2.9
109.02924	1.7
113.02438	3.1
115.00390	1.4
119.05012	1.9
121.02946	2.7
125.02454	1.6
132.41443	1.0
135.04492	1.7
150.03261	1.3
151.03996	1.3
163.04015	2.0
165.05620	1.7
175.03854	1.5
177.01924	1.8
209.04510	1.5
231.10165	1.6
258.25430	1.5
269.08118	2.4
281.08218	3.9
282.08847	1.5
283.09698	1.4
311.09299	2.5
314.11404	1.7
315.12460	1.5
326.11508	2.9
329.10275	7.2
329.13849	2.2
341.06509	1.4
341.10236	3.2
341.13855	2.3
353.06497	1.3
355.11826	1.3
359.11285	2.1
473.18240	11.8
476.16382	1.5
485.18091	11.0
486.56796	1.4
488.16614	1.7
491.19302	7.2
503.19263	11.0
519.19177	3.2
533.20178	9.7
545.20374	5.8
546.19666	1.3
563.13776	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	563.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	4.2
61.98824	1.1
70.84754	0.7
70.85083	0.7
71.01380	1.2
73.02920	0.4
79.14553	0.4
81.11175	0.5
88.98800	0.4
89.02441	0.5
89.71204	0.4
93.03462	0.9
101.02444	0.9
104.53592	0.5
106.06642	1.5
107.06969	0.7
108.02141	0.7
108.08191	0.6
109.02971	2.9
115.00385	0.5
121.02957	10.7
123.04494	1.0
124.16322	0.4
133.02902	0.5
134.03778	1.1
135.04539	4.8
137.02426	1.3
139.00412	0.6
145.02951	2.3
146.03674	0.6
147.04549	0.8
148.05293	3.1
149.06047	0.9
150.05608	0.9
151.05922	0.9
151.81062	0.5
155.33382	0.4
157.76532	0.5
159.04442	0.5
160.34792	0.4
161.06078	1.1
162.03214	1.0
163.07634	2.8
174.03276	0.4
177.01920	1.2
180.04283	0.8
194.04564	0.5
195.06644	0.7
202.06215	0.5
209.04552	1.0
225.05598	0.8
225.09114	0.8
226.06323	0.8
227.06833	0.6
231.10207	0.8
236.08351	0.5
237.05576	1.1
238.06372	0.9
239.07256	0.7
240.04167	0.7
241.04996	1.0
241.08708	1.1
242.05812	1.0
252.07901	0.8
253.05118	1.6
253.08649	2.6
254.05827	4.5
254.08623	0.5
254.09369	0.4
255.03116	0.8
255.06630	2.3
256.07379	0.8
257.08191	1.0
263.07150	0.7
265.08716	1.2
266.05829	1.5
267.06613	3.1
268.07172	1.3
269.08182	26.8
270.05417	0.6
270.08936	9.1
271.06137	0.7
271.09094	0.6
281.08182	24.7
282.08871	5.7
284.03323	0.6
284.06900	0.7
285.07648	1.1
285.11325	1.9
295.09576	0.6
296.06924	1.8
297.07620	0.8
297.11014	0.8
311.09225	16.5
312.09622	1.1
314.07834	2.3
323.09351	1.2
326.07916	6.4
327.08395	0.5
329.10291	100.0
330.10617	6.0
341.10291	45.9
341.14734	0.5
342.10693	2.8
346.14630	0.5
349.04257	0.6
358.10522	0.5
359.11353	20.1
360.11847	0.7
371.11154	0.6
401.12164	0.6
475.76501	0.5
485.14432	0.5
503.15546	0.5
533.16638	5.9
540.64014	0.5
545.16577	1.3
563.17682	7.0
563.26251	0.8
564.18152	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1404
Annotation	Neoisoschaftoside
Peak:m/z	Relative Intensity
59.01373	1.5
69.53313	1.3
69.53719	2.0
69.88636	0.5
71.01379	1.6
87.09942	0.5
91.38879	0.5
93.03446	1.4
95.34644	0.6
96.14767	0.5
109.02895	0.7
113.43600	0.5
115.00375	0.5
117.03445	4.6
119.05027	2.3
123.34742	0.6
129.98038	0.5
133.01398	1.6
134.03734	0.6
135.04521	2.4
149.02409	0.9
149.06015	0.8
150.03252	0.6
159.04471	0.8
161.02441	2.2
163.03958	2.1
171.04488	0.5
175.03996	1.8
177.01933	0.9
177.05542	1.3
179.03499	1.1
182.38110	0.6
189.01927	0.9
191.03534	1.1
202.06493	0.6
203.03438	1.5
205.04979	0.9
217.05147	0.5
221.04425	0.8
239.07083	0.6
245.04375	0.6
267.06671	0.6
268.07413	1.7
279.06586	0.6
282.05252	1.8
283.06165	3.8
295.06055	4.3
296.06784	2.2
297.07657	16.4
298.08145	1.0
307.06091	2.1
309.04196	0.9
309.07709	1.7
311.05585	3.5
311.08936	0.8
323.05606	3.6
324.06253	0.6
325.07172	8.0
328.06015	2.5
335.05563	1.2
337.07111	2.5
341.06781	1.2
345.10721	0.7
353.06647	36.7
354.07007	2.5
355.08075	1.3
356.05328	0.8
359.11230	1.0
365.06665	5.0
383.07724	24.9
383.12646	1.3
384.08133	1.1
395.07596	2.6
407.07590	0.7
413.08688	2.8
425.08954	0.8
437.08435	0.9
443.09805	9.7
455.09891	0.8
473.10910	7.3
473.17361	1.2
491.19815	0.6
503.11972	1.3
503.18854	0.6
545.12939	1.1
563.14026	100.0
564.14349	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	562.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97559	27.0
59.01387	2.8
61.98826	7.5
69.95586	8.5
71.01385	2.6
79.95744	7.8
80.96514	4.6
87.00872	2.6
90.40345	1.4
90.76495	1.4
96.96011	76.6
101.02431	5.2
113.02469	2.7
138.97055	4.4
149.83839	1.5
150.97098	1.6
156.11299	1.6
187.80298	1.8
220.93555	1.4
237.14081	1.8
238.98630	3.1
241.00232	35.1
256.99707	6.4
313.05991	99.1
314.06317	2.6
323.44678	1.7
330.62698	1.8
342.08527	12.9
356.27386	1.7
372.04221	17.2
397.12799	13.8
488.65506	2.1
562.15295	100.0
563.15619	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	563.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90049	0.4
59.01363	0.6
63.11481	0.4
69.79412	1.3
69.79839	1.3
71.01389	0.8
73.02958	0.5
81.92117	0.5
93.03465	1.4
95.01362	0.5
95.72064	0.5
96.89366	0.5
101.50712	0.5
106.72633	0.5
117.03445	4.9
119.05023	1.5
127.23100	0.5
131.05055	0.7
135.04576	2.6
147.04544	0.7
149.02434	1.1
159.04414	0.8
161.02386	2.3
163.03989	2.4
173.06027	0.7
175.03949	1.0
177.01880	0.8
177.05588	1.5
179.03548	1.0
189.01822	1.0
191.03560	1.0
203.03470	1.3
205.05078	0.7
253.08641	0.9
267.06390	0.9
275.05505	0.6
281.04556	1.0
282.05255	1.4
283.06161	2.8
293.03989	0.5
295.06110	5.9
296.06924	3.0
297.07645	18.1
298.08102	1.0
307.06061	3.6
309.07574	2.0
311.05600	3.9
311.09012	1.1
323.05591	3.7
325.07150	7.6
328.05936	3.3
335.05539	1.9
337.07233	3.7
351.05026	1.0
353.06647	35.3
354.07022	1.7
355.08102	1.4
356.05237	1.6
365.06680	6.1
367.07950	0.5
379.08221	0.9
381.06119	1.0
383.07715	26.6
384.07919	1.3
395.07523	2.8
407.07587	1.6
413.08789	2.4
425.08554	2.3
443.09821	6.9
473.10904	7.9
503.12064	2.6
545.13306	1.4
563.14026	100.0
564.14447	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	561.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77197	1.4
55.01877	2.5
57.03430	1.6
59.01379	100.0
61.98830	8.7
66.55235	1.3
66.63139	1.5
71.01382	41.8
71.52195	2.3
71.52580	1.2
72.87003	1.2
73.02950	16.0
75.00869	1.8
78.44560	1.3
79.99030	1.4
83.01387	6.2
85.02960	16.9
87.00887	1.9
89.02436	15.7
89.98047	1.5
92.68754	1.2
95.01393	3.9
96.96014	6.1
99.00873	4.4
99.92564	5.5
101.01806	1.8
101.02450	33.2
111.00932	2.0
113.02438	20.3
114.02791	1.5
115.00365	2.6
115.92066	5.6
116.92110	1.8
116.92867	26.1
119.03474	5.2
121.02977	1.7
125.02428	2.7
126.90417	2.0
131.03490	2.0
133.01440	2.1
133.02914	4.9
135.04488	3.8
140.61076	1.3
143.03542	2.1
149.04514	1.7
150.05669	1.3
151.03986	4.7
152.07166	1.9
159.02969	5.5
161.04556	25.8
174.04388	2.1
177.01891	3.9
179.03448	2.6
179.05611	2.3
180.73366	1.3
189.06664	1.9
190.07402	3.6
211.13443	1.7
231.07729	1.6
232.08481	4.6
251.06972	1.3
283.09653	2.8
309.03970	4.9
309.07513	3.0
327.12317	2.9
339.08716	2.1
339.12357	4.7
398.17120	6.2
483.29660	9.3
501.30667	88.1
502.30728	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	561.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.8
57.03444	1.7
57.54542	0.5
57.97559	1.2
58.00583	0.6
59.01378	30.8
61.98830	32.4
69.03460	0.9
70.80703	1.4
71.01383	16.7
71.05016	0.6
72.99309	1.1
73.02954	6.1
73.52618	0.5
83.01392	2.3
85.02956	7.1
85.06614	0.6
87.00884	3.3
89.02442	4.1
94.27985	0.6
95.01377	1.3
97.02940	0.9
99.00860	1.5
101.02444	8.1
111.08182	2.5
112.01621	0.6
113.02444	5.8
119.03513	1.1
124.01677	0.8
125.02415	1.6
127.11324	1.2
135.04477	0.8
139.11266	1.6
141.12840	1.5
143.03464	0.7
157.08656	1.4
161.04604	0.9
171.10228	2.7
181.12424	0.8
185.10316	0.8
185.11775	3.6
203.05379	0.6
213.13860	0.5
239.11946	1.9
265.09430	0.5
278.22211	0.6
290.60593	0.5
321.24335	1.3
337.23950	1.0
339.25391	10.6
357.26422	19.2
358.26797	0.8
378.17889	0.6
381.26263	0.9
399.27667	0.7
483.29532	0.9
501.30719	21.2
502.31168	1.1
517.29913	1.9
519.31738	25.3
520.31757	1.5
561.32758	100.0
562.32983	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	561.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.7
57.03449	0.9
58.00600	0.5
59.01378	25.2
61.92978	0.1
61.98831	1.5
63.49895	0.1
64.65631	0.1
69.03469	0.5
71.01380	12.0
71.05033	0.2
72.99319	0.8
73.02946	6.8
73.99660	0.1
75.00868	0.2
83.01389	2.1
85.02947	3.7
86.00111	0.2
87.00875	2.2
87.32852	0.2
89.02443	4.2
89.95117	0.1
95.01394	0.9
96.96038	0.2
97.02946	0.4
98.51463	0.2
99.00884	0.9
101.02443	8.5
111.00901	0.1
111.08160	0.6
113.01712	0.3
113.02445	3.5
119.03482	1.2
122.60171	0.2
124.01657	0.3
125.02467	0.5
127.11281	0.5
129.53047	0.1
131.03523	0.3
139.11261	0.9
141.12825	0.8
142.02734	0.3
143.03502	0.4
155.10750	0.4
161.04565	0.4
169.12360	0.4
171.10268	0.4
171.13896	0.3
185.11804	4.3
187.13458	0.2
196.63974	0.2
203.97900	0.1
214.12151	0.2
321.24380	0.7
337.23969	0.4
339.25360	13.2
340.25742	0.7
357.26447	8.5
358.26758	0.5
369.26303	0.3
381.26227	0.3
399.27628	0.2
409.96063	0.2
471.29965	0.2
483.29501	0.2
501.30655	6.4
502.31085	0.6
517.30182	0.4
519.31714	16.0
520.31989	1.4
543.31744	0.4
561.32745	100.0
562.33105	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	561.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11232	0.4
58.00565	0.4
59.01380	100.0
61.98812	0.4
64.31986	0.5
65.97092	0.5
69.74171	2.2
71.01386	12.5
72.99326	0.5
73.02949	9.8
79.43050	0.4
83.01386	2.8
84.76276	0.4
85.02967	2.4
89.02452	8.0
95.01404	0.7
96.96033	1.6
101.02445	11.4
113.02460	11.1
119.03500	3.7
125.02491	0.9
131.03526	2.1
135.04527	0.6
136.01715	1.7
143.03519	2.1
149.04597	2.0
151.03984	2.5
161.04567	5.1
179.03743	0.4
179.04218	0.5
179.05586	2.9
221.06662	0.8
357.13730	1.6
441.24942	5.9
459.26053	1.4
501.27463	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87275	1.4
54.23083	1.6
57.03429	1.8
57.74765	1.3
59.01381	31.4
60.96541	1.6
61.98830	20.0
69.95960	1.5
70.81576	3.5
71.01365	9.5
71.96718	1.2
73.02947	5.5
78.95860	1.4
83.01392	1.6
85.02934	3.1
87.00928	1.6
89.02450	2.4
93.02600	1.4
96.96009	3.7
101.02441	4.5
113.02441	2.3
142.50151	1.5
213.40430	1.4
219.14374	1.4
225.90953	1.6
234.16214	1.8
265.17999	2.9
295.22830	2.1
311.22269	2.3
311.97757	1.6
313.23822	100.0
314.24203	5.3
327.25381	6.8
339.25388	4.2
357.26352	4.8
384.29263	1.5
501.30490	3.9
519.31720	3.3
561.25439	2.8
561.33002	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	561.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.7
61.98830	2.3
68.99570	0.5
69.81593	1.7
71.01387	0.5
72.99308	2.3
75.00874	100.0
78.95912	0.9
87.00875	0.7
98.19958	0.9
112.51711	0.5
115.00295	0.5
135.04518	0.7
152.99643	0.7
228.44327	0.5
250.65599	0.5
365.26871	0.7
561.28827	0.9
562.31439	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.7
63.90209	0.7
65.05781	0.6
69.67609	3.9
71.01380	0.9
76.94242	0.6
77.19670	0.6
83.24568	0.6
108.02187	1.6
121.02950	5.5
122.03756	3.6
125.22192	0.6
136.01660	66.8
137.02307	2.4
151.04005	100.0
152.04335	3.0
160.05281	1.7
162.03217	1.5
163.03966	1.1
167.52332	0.6
177.05530	1.4
189.05605	0.7
203.07077	0.7
245.82677	0.6
342.11023	4.6
357.13409	64.2
358.13730	4.6
472.56897	0.9
474.00079	0.8
556.82019	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97567	0.9
59.01378	17.2
61.98828	5.4
66.18533	0.7
69.18429	8.2
71.01375	4.5
73.02959	1.5
82.02899	0.8
85.02975	1.4
89.02436	1.9
90.53954	0.9
93.03500	1.3
96.96001	4.7
98.19956	2.2
101.02443	3.9
108.02196	1.4
109.02955	1.3
113.02456	3.1
121.02986	6.7
122.03769	1.9
123.00891	1.2
125.02434	1.7
130.20857	0.8
134.03734	2.1
135.04524	1.6
136.01659	66.4
137.02477	6.3
145.82687	0.7
151.04004	77.5
152.04292	1.9
159.04501	1.6
160.01668	1.2
160.05281	1.7
161.04634	0.8
162.03218	2.5
163.04019	4.7
175.04005	3.4
175.07686	1.9
177.05562	1.8
179.03430	2.4
187.04039	1.0
193.59421	0.8
241.00197	2.2
313.06006	6.2
327.08755	1.6
342.11133	13.9
343.11377	1.3
357.13400	100.0
358.13693	6.2
372.03995	1.5
397.12894	1.0
398.16782	1.3
501.30466	1.1
561.29767	1.2
562.14886	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	559.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85609	0.3
53.87102	0.3
59.01382	1.4
61.98831	100.0
67.19910	0.3
69.43597	1.4
69.44003	0.4
72.28379	0.3
75.62448	0.3
78.95924	0.4
81.65372	0.3
89.02480	0.2
120.32401	0.3
202.34750	0.3
266.46759	0.3
336.41986	0.3
359.41498	0.3
458.31345	0.3
537.18054	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28560	0.2
59.01380	4.7
61.98823	0.4
69.73887	0.5
69.74293	1.0
71.01382	2.4
73.02934	0.6
74.50271	0.2
83.01414	0.2
85.02947	1.0
95.01397	0.3
97.02861	0.3
98.19984	0.5
101.02419	1.1
104.05060	1.5
106.06623	100.0
107.06960	2.3
108.08194	4.6
113.02448	1.8
118.06635	2.7
120.08183	1.5
125.02467	1.2
127.89399	0.2
130.06615	2.0
131.03770	1.4
132.04526	0.5
133.01427	0.5
133.02934	0.2
134.06110	0.7
135.03006	0.3
135.04501	0.8
136.07689	0.6
146.06088	1.8
147.04630	0.3
148.07692	0.3
150.05600	81.2
150.55229	0.2
151.05980	1.5
152.07164	0.6
152.84862	0.2
162.05623	0.8
164.07158	19.3
165.07512	0.3
174.05591	1.8
176.07191	0.4
179.03514	0.6
183.53673	0.3
184.81818	0.3
187.02496	0.4
192.06665	12.9
194.04570	26.5
195.04912	0.7
204.06689	0.3
222.07721	0.9
234.07718	0.4
236.05630	8.0
250.07185	0.9
266.06693	0.4
278.06662	2.2
296.07718	3.7
328.08255	0.4
338.08841	2.3
356.09845	21.9
357.10193	1.1
398.10892	30.8
399.11252	1.7
426.15988	0.3
439.02957	0.2
440.11929	0.7
444.16537	0.3
500.74728	0.3
514.47626	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.8
57.03455	1.4
58.00591	0.7
59.01381	100.0
60.01719	0.5
61.98822	0.6
64.57906	0.3
69.03459	0.4
70.52872	0.9
71.01383	18.4
71.04983	0.3
71.28394	0.3
72.99328	0.8
73.02941	3.8
75.00873	0.6
76.40996	0.3
78.95919	0.4
81.03481	0.6
83.01392	3.0
85.02952	8.9
87.00896	1.3
87.04541	1.0
89.02448	12.3
95.01379	2.8
95.01875	0.3
95.05019	1.6
96.96004	0.4
97.02949	0.6
99.00903	1.3
99.04515	1.0
101.02444	9.8
101.03111	0.6
112.01639	0.4
113.02453	23.5
115.00414	0.8
115.04034	0.4
119.03506	4.7
121.02985	0.3
125.02412	3.0
131.03497	0.8
133.01465	1.2
133.02963	0.4
135.04527	0.6
143.03502	3.2
149.04628	0.4
151.04033	0.3
159.03021	0.4
161.04558	6.2
177.01971	0.4
179.03668	0.3
179.04008	0.4
179.05608	3.0
187.02527	1.1
205.16118	0.3
213.09084	0.3
221.00879	0.4
239.07123	0.5
241.08336	0.3
256.04077	0.4
262.09216	0.3
267.06631	0.8
267.19714	0.9
285.07770	0.8
286.08737	0.4
337.24072	0.4
355.24985	0.5
365.14026	0.5
411.23923	5.4
423.23834	6.2
426.16251	0.3
427.14056	1.6
429.24734	0.4
441.24985	1.9
451.27338	0.5
463.27197	0.8
481.28058	3.6
491.18765	0.4
499.29117	20.0
500.29779	1.2
503.18896	0.8
517.30212	6.5
518.30731	0.5
559.30939	1.0
573.35034	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	4.9
59.01381	100.0
61.98834	9.9
62.52187	1.4
71.01389	17.2
71.51845	2.6
73.02938	5.1
75.00855	2.0
80.91682	2.0
83.01388	5.4
85.02951	8.1
86.03232	1.7
89.02445	11.0
94.17939	1.7
95.01376	2.1
98.61675	1.6
99.04523	3.0
99.97083	1.7
101.02451	12.3
113.02454	8.4
118.29227	1.6
119.03527	3.3
123.04491	2.7
125.09678	2.7
134.06075	1.6
135.04506	2.2
136.07675	6.6
137.02466	1.9
137.09715	5.5
138.05583	1.7
141.12811	1.8
143.03532	1.6
151.11279	14.2
161.04520	3.6
162.05612	2.4
169.12254	3.6
179.05588	2.3
185.10628	2.0
185.30446	1.9
197.10788	7.0
198.11429	2.9
204.61026	1.7
213.13969	7.7
221.10899	2.8
237.10324	4.8
239.11870	50.8
239.14124	3.3
257.12918	8.3
295.19092	3.3
311.25665	2.8
337.23843	48.5
338.23959	3.9
355.24796	3.4
378.18369	14.1
386.14719	1.6
396.19299	12.9
420.19492	3.2
439.23270	6.2
499.29022	5.5
517.30194	4.6
559.31506	53.7
560.31818	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	559.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.1
55.86472	0.3
57.03458	1.5
57.81076	0.3
58.00596	1.3
59.01379	100.0
60.01709	0.5
61.98848	0.6
69.50452	0.7
69.50854	1.9
71.01382	27.9
72.01725	0.5
72.99316	1.2
73.02943	5.9
75.00867	0.4
83.01392	2.9
85.02947	11.8
87.00884	2.6
87.04507	2.7
89.02444	18.2
95.01388	4.1
97.02978	0.9
97.06601	0.3
99.00890	1.7
99.04507	0.5
101.02445	13.6
109.06617	0.7
113.02451	28.1
119.03498	6.8
121.12878	0.3
125.02474	1.0
126.63174	0.3
131.03545	1.2
133.01411	0.4
135.04547	0.5
135.08189	0.5
137.02490	0.4
139.00403	0.3
141.09232	1.0
143.03513	3.0
149.04578	0.7
153.09319	0.5
161.02502	0.3
161.04570	6.2
170.30949	0.3
173.04578	0.5
177.01999	0.9
179.05620	2.8
188.54274	0.3
237.18607	0.4
249.18723	0.9
262.50830	0.4
266.66183	0.3
267.19708	1.1
319.22739	0.8
337.24091	1.1
355.25027	1.7
411.23862	5.5
412.24789	0.4
423.24017	2.2
429.25055	1.0
441.24857	2.1
463.27142	1.0
481.28033	6.1
482.28955	0.6
499.29117	28.5
500.29413	2.2
517.30182	9.4
517.37347	0.5
559.31281	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	559.109
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31775	17.7
60.15562	19.5
70.89875	38.1
70.90229	27.4
71.01382	30.1
96.96002	54.5
98.20570	23.1
115.00354	39.4
133.01460	100.0
135.04507	42.1
148.17139	19.1
163.03983	35.1
248.12753	24.1
321.97522	20.7
327.08762	25.2
351.93781	20.1
557.54413	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	559.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70044	1.0
59.01377	16.2
61.98814	3.1
63.08551	0.9
71.01376	10.3
71.52161	1.3
73.02914	1.7
85.02939	1.3
89.02414	2.0
93.03459	47.5
94.21388	1.0
106.04193	1.2
109.30085	1.4
115.00368	8.1
119.05029	100.0
120.05436	2.7
131.05014	3.0
133.01443	5.7
133.06606	3.7
135.04501	4.7
137.02449	6.1
145.06596	18.9
161.04546	1.7
163.04012	67.8
164.04300	1.3
197.09735	1.4
221.09741	1.8
223.07668	1.4
239.10773	49.3
240.11064	3.0
248.12961	1.2
265.08658	2.4
283.09790	28.1
284.10126	1.3
327.04837	1.7
327.08740	34.0
328.08850	2.1
427.13800	3.8
443.09753	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98833	37.6
71.01387	26.0
71.52921	6.6
73.02952	10.6
83.01384	5.5
85.02947	7.9
89.02420	5.8
91.00155	3.4
96.96015	3.3
99.00821	3.7
101.02431	15.5
113.02421	8.9
135.04491	6.6
137.02518	4.5
140.63278	3.0
171.10274	5.0
177.01938	5.4
197.11826	3.3
328.05801	4.1
337.23749	20.7
398.23416	3.5
472.81628	3.2
515.28687	27.1
559.31299	28.0
560.31299	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	559.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.6
59.01377	18.1
61.98829	1.6
68.99585	0.7
71.01386	4.4
72.99306	3.2
73.02934	2.6
75.00887	1.0
83.01408	0.8
85.02946	1.9
87.00924	0.4
89.02445	2.0
89.40430	0.4
96.96015	1.8
98.19955	1.1
98.95552	1.0
99.00887	0.5
99.92587	25.0
100.92634	0.8
100.93394	1.2
101.02435	2.8
102.52511	0.4
112.98594	0.9
113.02452	2.2
115.92077	11.0
116.92863	100.0
117.92897	2.1
119.03519	0.8
135.04530	0.4
137.02339	0.6
141.93675	1.3
142.94455	0.7
158.93922	2.0
161.04536	0.9
177.01907	1.1
179.03584	0.5
179.05588	0.7
184.91812	2.5
230.24107	0.4
249.05228	0.4
255.11302	0.6
362.99527	0.7
366.02341	0.6
378.18274	1.1
407.02319	1.2
410.00876	1.0
425.03360	1.6
437.03235	1.7
439.05048	1.1
455.04233	3.1
467.04272	0.9
473.05496	2.9
485.05243	0.6
497.05511	2.8
499.29013	1.8
511.03787	0.6
515.06512	8.3
516.06641	0.9
516.28900	0.6
517.30219	0.9
538.59033	0.5
539.11658	0.5
541.04364	1.2
558.30103	1.4
559.05554	4.5
559.31287	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	558.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34450	1.1
55.01864	1.5
57.03434	2.5
59.01379	100.0
60.03469	1.1
61.18685	1.2
61.98824	2.8
70.37915	3.8
70.63519	1.2
71.01377	5.5
73.02942	3.8
78.95912	5.9
78.98573	1.6
79.95720	2.9
80.96524	17.3
80.98195	2.0
81.95311	4.0
82.96102	28.0
82.96934	3.6
83.01395	13.5
87.00861	1.3
89.02432	2.0
91.04003	2.8
94.98100	3.2
96.97652	6.4
101.02425	5.2
119.03474	2.2
124.97152	3.1
136.97179	1.9
143.07079	1.4
150.98705	1.9
152.99629	2.9
154.98123	1.8
166.82515	1.2
166.98175	4.2
175.06099	5.4
193.07124	5.0
194.90819	1.2
196.89467	4.4
197.89441	1.3
208.99319	1.7
225.00746	1.6
227.00453	5.3
228.00902	1.8
250.30499	1.3
255.23067	1.4
265.08752	1.1
271.48282	1.3
278.21997	1.6
281.21909	2.6
281.24847	43.1
282.25153	3.3
439.30444	6.1
457.31696	38.0
457.37836	2.8
458.32077	2.9
484.36295	2.6
499.32761	5.4
541.64758	1.4
558.28741	83.2
559.29126	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	557.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82736	0.3
59.01380	1.8
61.98832	100.0
68.79080	0.3
69.15214	3.3
72.62792	0.3
72.89951	0.3
76.14163	0.3
78.93601	0.3
83.01447	0.4
83.31587	0.3
104.00956	0.3
109.34270	0.3
109.74371	0.3
116.35175	0.3
125.84910	0.3
128.46106	0.3
135.04526	0.3
147.30084	0.3
160.24220	0.3
223.02364	0.3
254.05898	0.6
279.23575	0.3
280.23862	0.9
306.14490	0.4
427.74088	0.4
542.79645	0.3
564.35773	0.3
583.68024	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97552	3.9
59.01380	100.0
60.01731	1.4
61.02887	1.0
61.98828	1.5
64.76752	1.0
65.58048	1.1
69.25293	10.7
71.01379	19.4
72.99302	2.4
73.02935	2.9
83.01363	2.8
85.02943	6.0
87.00877	91.5
89.02440	3.4
92.05051	3.3
96.96008	2.1
99.00880	4.6
101.02431	7.0
105.03773	3.2
106.38655	1.1
111.00890	1.8
113.02443	5.1
116.92870	2.4
117.01908	5.1
129.01939	6.2
135.04572	1.3
136.02257	3.1
137.02452	1.3
141.01840	1.4
159.03044	1.2
161.01727	3.8
170.03932	16.6
171.09595	2.6
177.10297	2.3
198.51595	1.2
203.06497	3.2
204.02328	5.5
205.03125	4.1
205.08044	3.5
207.04305	1.1
221.07520	4.2
233.07544	2.5
235.09070	3.1
245.06303	1.7
246.06990	2.2
247.07848	55.1
248.08281	3.1
251.08649	2.7
317.17084	2.1
320.14331	22.2
321.14532	1.4
349.14249	3.9
377.11816	1.6
395.12781	14.9
480.17996	12.1
499.28613	1.1
515.25928	1.3
529.96826	1.3
558.29724	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.4
60.01696	0.2
61.98830	100.0
62.98603	0.1
63.08079	0.1
69.27580	0.7
69.27992	0.2
73.02957	0.1
77.29601	0.1
78.95915	0.6
79.95746	0.2
83.01398	0.4
83.67478	0.1
93.25446	0.1
96.96005	0.1
98.80962	0.1
101.02483	0.1
113.37670	0.1
152.99586	0.3
159.87756	0.1
175.06117	0.2
255.23309	1.7
256.23666	0.6
257.24060	0.2
279.23486	0.4
280.23645	0.4
409.23981	0.1
455.30289	0.2
456.30377	0.9
480.31076	0.9
483.31891	0.5
519.78741	0.1
557.22723	0.1
557.32257	0.2
562.13770	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	557.2961
Annotation	Tricalysioside N
Peak:m/z	Relative Intensity
51.72836	0.4
55.01866	0.9
57.03448	2.1
58.00589	0.8
59.01378	100.0
60.01728	0.5
61.98833	2.4
69.03451	0.7
71.01380	31.3
71.51571	0.5
72.99319	0.9
73.02946	5.3
80.24721	0.4
81.03453	0.8
83.01381	4.3
83.05048	0.6
85.02950	13.7
87.00866	3.2
87.04524	0.8
89.02447	20.1
95.01384	3.8
95.05014	2.6
96.96013	2.3
97.02953	1.6
98.95606	0.8
99.00858	2.5
99.04567	0.4
99.92594	6.7
100.93388	0.6
101.02447	14.5
103.00397	0.7
107.05003	0.4
109.06580	2.9
112.01711	0.5
113.02449	30.7
114.02760	0.8
115.92076	13.4
116.92857	43.5
117.92880	1.1
119.03500	6.6
121.06581	0.5
124.05290	0.5
124.06631	0.5
125.02458	1.5
127.07672	0.5
131.03493	1.4
133.01492	0.5
135.04622	0.5
135.08185	0.9
137.06081	4.7
143.03528	4.5
146.07425	0.4
149.04530	0.5
161.04552	8.0
177.01979	0.6
179.05632	5.3
184.91763	0.7
196.95415	0.6
229.16017	0.6
235.16974	0.5
242.95993	0.5
247.17088	0.6
253.04805	0.5
259.17227	0.5
259.96075	0.5
265.18167	2.1
277.18143	0.7
318.08585	0.4
335.22400	1.1
353.23370	1.3
365.19650	0.9
409.22223	6.0
410.22955	0.6
421.22281	6.7
435.10956	0.5
439.23520	1.3
449.25607	1.2
453.12363	0.9
461.25171	1.9
469.66135	0.5
471.13342	1.4
479.26447	8.5
480.26859	0.8
495.13382	0.8
497.27548	20.0
498.28360	1.5
513.14111	3.0
515.28619	7.6
516.29254	0.7
525.16174	0.5
557.13403	7.8
557.29584	6.9
558.13721	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.224
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01713	0.7
61.25331	0.3
61.98828	0.9
67.75470	0.4
69.29294	2.6
69.29700	0.6
71.01390	2.9
73.02925	0.5
74.33358	0.3
82.43124	0.3
85.02960	0.6
89.02455	0.8
98.20629	0.6
101.02463	0.9
108.38680	0.3
114.44734	0.4
115.00424	0.4
121.02978	0.6
135.04547	0.6
221.08224	1.0
335.22296	1.3
353.23260	0.7
381.11984	0.8
497.27692	0.4
507.58722	0.4
557.29907	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2964
Annotation	Tricalysioside N
Peak:m/z	Relative Intensity
57.03453	1.4
58.26748	0.6
59.01383	100.0
61.98836	1.6
68.99577	15.0
69.17677	1.6
69.18102	5.8
71.01385	12.8
72.99309	1.0
73.02948	7.2
83.01402	1.6
85.02953	4.8
87.61896	0.6
89.02443	6.0
91.40701	0.6
95.66193	0.7
96.96012	1.0
98.19834	1.6
99.00888	1.0
99.04475	0.8
101.02446	11.2
112.98571	17.4
113.02447	5.9
119.03513	2.8
125.02568	0.7
135.04567	0.8
143.03514	1.1
161.04581	3.0
179.05579	1.7
207.89624	0.7
265.18066	1.3
283.01312	1.1
335.22357	1.4
353.23395	2.1
365.37296	0.7
437.25214	1.1
455.26480	8.7
497.27466	4.1
515.28528	1.7
557.29565	23.9
558.30005	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	556.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.0
57.03447	1.7
59.01380	100.0
61.98825	0.9
69.34890	0.5
71.52299	0.6
73.02935	2.9
83.01389	14.4
83.01894	0.7
89.02456	1.1
91.04014	2.9
101.02461	3.1
119.03533	1.7
157.05066	2.4
171.73846	0.4
175.06108	5.5
175.72253	0.4
193.07155	5.2
193.08568	0.5
235.08250	0.7
279.23276	39.6
280.23672	1.9
302.96365	0.5
426.78802	0.4
437.29062	7.1
437.34729	0.5
455.30130	41.7
456.30499	2.6
482.34894	2.4
497.31253	6.3
498.31729	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.317
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.1
59.01378	31.6
61.98827	5.9
68.01677	1.8
70.32629	2.0
70.86721	2.0
71.01385	14.7
71.04988	2.0
71.52789	2.6
73.02946	3.8
75.82321	1.8
83.01373	2.7
85.02973	3.1
89.02431	10.2
99.08137	2.3
99.92548	1.7
101.02431	9.8
101.19404	1.7
113.02471	5.5
113.09721	4.1
119.03523	2.1
121.10242	3.1
121.79406	1.7
161.04576	5.0
175.14917	15.1
179.05582	2.5
219.13910	21.4
253.09259	48.3
257.22723	8.7
275.23822	2.8
289.21677	2.9
301.21738	25.1
319.22763	100.0
320.23016	5.8
351.21713	13.8
361.13141	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41150	3.8
57.97308	5.2
57.97560	68.3
59.01379	100.0
61.98821	5.4
62.20528	3.9
69.32176	12.8
69.32603	19.0
71.01372	14.8
73.02926	13.4
83.01385	5.9
83.06178	4.2
85.02932	6.8
92.16336	3.8
101.02418	12.2
113.02442	11.2
120.95600	3.6
161.04564	6.5
183.44109	3.7
223.49550	3.9
297.67145	3.6
317.16837	4.8
359.18158	15.3
388.36050	4.5
393.16855	7.5
398.35483	4.4
550.05219	4.9
556.22784	4.7
557.29419	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	555.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38805	0.4
59.01357	0.7
63.96227	1.0
69.37440	1.7
69.37862	1.9
71.01380	7.0
73.02940	1.4
78.98602	4.9
79.95736	8.3
80.96517	61.6
81.03445	1.0
85.02958	2.7
86.62546	0.4
87.00878	1.9
94.98087	12.4
96.96028	0.9
97.02980	1.4
101.02450	2.0
106.59560	0.5
106.98104	3.3
117.95707	0.5
122.97610	2.5
125.02423	2.3
127.04017	0.7
134.97575	4.1
136.99161	1.3
148.71106	0.4
148.99152	5.7
152.98625	4.3
164.98611	10.4
173.75861	0.4
206.99712	2.3
225.00745	13.4
255.23335	1.8
296.75201	0.5
299.04337	2.3
555.28400	100.0
556.28644	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	554.3695
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88125	1.2
57.03447	3.7
57.30900	1.3
59.01380	100.0
61.98821	9.0
71.01377	1.7
71.91896	1.7
73.02967	1.6
80.96519	3.7
83.01389	13.2
91.04038	1.8
98.19837	2.2
99.62546	1.6
101.02471	3.3
116.26346	1.5
122.87714	1.4
127.56944	1.4
133.89001	1.4
155.68199	1.5
157.05054	8.2
160.26147	1.5
175.06093	15.7
177.77728	1.4
193.07184	2.6
277.21716	46.0
278.21844	2.0
279.23245	5.1
281.07040	1.3
435.27649	6.8
453.28519	46.6
454.28928	1.9
480.33273	1.9
495.29532	4.1
504.31766	1.4
554.27216	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	555.2842
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
57.96748	0.4
59.01379	0.6
62.53075	0.5
63.96226	0.9
70.27444	1.5
71.01387	6.7
73.02950	1.9
78.98594	6.0
79.95731	9.0
79.96195	0.5
80.96516	62.0
83.01431	0.5
85.02943	2.2
87.00868	2.1
94.98088	14.3
96.96007	0.7
97.02959	1.6
101.02427	2.4
106.98075	2.2
106.98725	0.5
122.97604	4.7
125.02460	2.9
127.04018	0.9
134.97583	4.4
136.99117	0.8
148.98167	0.5
148.99152	5.3
152.98610	5.1
164.98624	10.0
167.00281	0.5
182.99655	1.8
206.99695	3.2
215.59958	0.5
225.00746	16.4
243.01700	1.5
255.23302	3.2
299.04309	2.3
320.61023	0.6
348.37741	0.6
477.85193	0.6
555.28406	100.0
556.28790	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	554.3694
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.0
57.03445	1.6
59.01379	100.0
60.01730	0.7
61.98840	5.0
63.71529	0.5
71.23566	1.1
72.43608	0.5
73.02962	2.5
83.01385	13.5
89.02446	1.4
91.04001	3.5
101.02477	3.5
105.77599	0.5
119.03525	2.0
135.27589	0.6
157.05040	3.0
175.06126	6.8
193.07173	4.7
254.21989	0.8
277.21707	34.3
278.22165	1.7
349.54834	0.6
424.31787	0.6
435.27475	6.3
453.28564	42.9
454.28937	2.8
480.33316	1.9
495.29541	5.0
549.94574	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86519	0.6
55.01884	0.6
56.65995	0.6
57.03429	0.6
58.16013	0.5
59.01381	44.2
61.98827	2.5
70.43041	2.0
71.01385	0.7
73.02937	1.0
75.06345	0.8
78.95906	5.7
83.01385	5.3
88.14741	0.6
91.04005	1.2
101.02422	1.4
107.43597	0.7
108.85893	0.7
119.03502	1.6
152.99562	1.1
168.04324	1.4
169.77550	0.5
175.06116	2.4
193.07231	3.0
242.08081	3.6
267.73080	0.7
277.21716	14.6
278.22159	0.9
278.53497	0.8
279.23282	100.0
280.23581	4.5
435.27557	3.0
453.28574	19.8
454.29163	1.0
472.29883	0.7
495.29715	3.3
504.30945	33.9
505.31317	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	554.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11497	0.2
59.01379	21.2
61.98807	0.3
69.24448	2.7
69.24809	0.4
69.33523	0.3
71.62553	0.3
77.06924	0.3
77.82932	0.3
78.95906	18.4
110.20252	0.3
125.27782	0.2
152.99590	2.6
168.04289	2.9
206.53287	0.3
224.06923	7.5
229.24843	0.3
242.08015	1.9
245.43805	0.3
255.23288	100.0
256.23627	4.8
480.30936	60.7
481.31207	4.3
511.55527	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91157	0.4
59.01378	16.6
61.98832	3.1
69.43136	2.9
78.95905	4.8
80.96517	1.4
94.98093	0.5
96.96045	0.5
98.19884	0.5
102.12627	0.3
106.00143	0.4
152.99583	0.8
168.04306	1.3
221.94572	0.4
224.06889	0.9
242.08006	2.2
255.23289	100.0
256.23596	4.1
342.66455	0.4
417.31732	0.4
456.66782	0.4
472.34964	1.3
480.30945	30.1
481.31335	1.4
522.91394	0.5
554.27179	2.2
554.34851	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.297
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53404	0.4
57.61846	0.3
59.01379	100.0
60.01721	0.5
61.98832	3.7
62.14311	0.4
71.01392	1.9
71.07626	0.7
73.02966	0.4
77.51027	0.4
85.02956	0.8
89.02438	0.5
101.02467	0.7
108.03254	0.4
113.02511	0.8
121.55331	0.3
135.04544	0.5
161.02483	0.7
183.62671	0.4
192.30745	0.3
215.33894	0.3
269.70279	0.5
321.59863	0.4
324.95987	0.4
350.23450	0.8
372.12976	0.4
494.27502	2.8
512.28540	0.5
554.30115	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59843	0.4
55.01870	0.8
57.03467	0.6
58.00593	0.6
58.48867	0.4
59.01379	100.0
61.98829	11.3
69.03429	0.6
70.89116	0.5
71.01382	22.3
71.08064	1.2
72.85100	0.4
72.99334	0.6
73.02944	15.8
74.02485	0.7
78.95950	0.7
83.01385	4.9
83.56219	0.6
85.02954	4.8
87.00893	0.9
89.02452	4.5
90.37141	0.5
95.01385	1.3
97.02945	0.6
99.00883	1.1
101.02445	12.5
113.02451	11.0
116.92842	0.9
119.03485	1.2
119.38338	0.5
125.02499	0.8
131.03499	1.0
135.04555	0.6
143.03513	1.4
143.99211	0.8
145.44510	0.5
161.04520	2.7
163.99100	0.5
183.07730	0.8
205.92725	0.6
223.05133	0.5
223.22981	0.5
223.91069	0.6
227.06763	1.0
228.06995	0.7
262.05829	0.9
312.91156	0.5
442.40659	0.5
494.27576	14.3
495.27579	1.3
512.28815	3.3
542.37286	0.5
554.29437	5.5
570.10675	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.4
61.98820	0.9
69.03460	10.8
71.01374	1.2
71.05024	1.8
71.41845	1.0
74.02243	0.6
77.71214	0.7
95.05030	0.6
96.96034	0.8
97.02953	1.1
97.06590	2.1
103.71482	0.6
123.08150	2.5
125.09735	5.4
137.09715	1.0
149.09680	1.3
151.11287	7.1
153.12840	1.6
161.09720	12.8
166.02328	0.7
173.40939	0.6
176.45052	0.6
179.10780	39.7
180.11020	1.0
197.11832	94.2
198.12148	2.7
223.09755	4.6
241.10793	13.5
255.23288	100.0
256.23804	3.2
296.16797	0.7
297.13425	9.2
305.34573	0.6
315.14484	17.7
316.14801	0.6
553.37469	92.6
554.37634	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	554.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.5
61.98830	100.0
63.12634	0.2
69.30117	1.4
70.51427	0.2
71.01375	0.4
72.97213	0.2
73.02950	0.3
77.88441	0.2
96.96046	0.5
101.02414	0.2
116.92877	0.4
177.01982	0.2
244.07835	0.2
249.44449	0.2
265.14807	0.2
315.27292	0.2
320.27075	0.2
332.25314	0.5
351.96689	0.2
555.28735	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
59.17218	0.2
60.01720	0.4
61.65656	0.2
61.98832	1.6
71.01380	2.3
73.02943	0.7
83.01426	0.4
85.02962	1.6
92.39427	0.3
95.01395	0.3
98.20782	0.3
101.02460	0.9
103.43636	0.3
113.02484	1.1
120.08222	0.3
135.04567	0.3
137.02461	0.4
140.97514	0.2
141.31541	0.2
148.96808	0.3
161.04364	0.2
270.26898	0.3
332.22363	0.3
350.23425	0.7
463.65146	0.3
464.26309	0.3
487.02127	0.3
494.27557	8.0
494.34692	0.5
495.28250	0.6
512.28809	1.5
554.29541	3.8
555.30304	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.259
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81247	1.3
58.02973	7.3
59.01379	11.6
61.98824	16.8
70.76107	1.2
71.01378	2.6
74.02480	17.1
80.89744	1.4
82.02994	2.1
83.01382	2.8
83.05012	1.6
85.02944	1.4
85.04073	1.3
85.66154	1.2
87.05628	6.7
89.02372	1.5
95.01460	1.5
96.04528	9.3
97.04070	9.6
98.02474	4.4
99.05640	12.9
100.00388	2.9
101.02419	3.3
106.69562	1.5
108.04523	7.6
109.04090	2.4
110.02442	3.7
111.73457	1.2
112.04053	9.9
112.07669	9.2
113.03562	4.8
115.92072	1.7
116.92867	7.2
122.06128	3.3
124.04024	5.5
125.03568	3.4
125.04797	4.9
127.05151	8.9
131.04575	1.7
134.06090	3.3
135.04523	1.4
137.02412	1.8
137.07196	5.5
138.05562	1.6
140.07173	13.1
142.03299	2.2
143.04581	3.3
143.99188	2.0
150.04314	1.5
152.03528	4.3
155.08266	25.1
160.00705	2.2
165.06674	14.9
166.05124	3.2
177.01936	1.9
177.03366	1.3
183.07744	35.4
184.08005	1.6
215.06717	2.9
225.05157	2.6
227.06718	88.0
228.07184	1.8
240.39793	1.4
260.14670	1.6
261.05484	100.0
262.05756	3.2
282.61023	1.3
387.11945	1.5
489.18466	8.7
521.21332	10.3
553.26129	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	553.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02979	8.5
59.01374	6.3
61.98824	2.6
70.02972	1.2
70.82003	1.7
70.82336	1.7
71.01386	1.3
73.02930	1.5
74.02471	17.1
76.18231	0.8
76.92361	0.7
80.05105	1.0
82.02995	4.0
83.01395	2.4
83.05011	1.3
85.04050	0.9
86.06139	0.9
87.05634	7.5
90.00209	1.1
94.72073	0.7
96.04549	9.9
97.04067	8.4
98.02467	5.5
99.05644	12.4
100.00414	2.6
101.02447	2.3
108.04549	9.1
109.04068	2.2
110.02470	3.3
111.03268	1.2
112.04037	11.6
112.07681	9.7
113.03573	6.4
114.05650	0.8
116.01739	0.9
118.29370	0.7
122.06119	3.5
124.04053	7.0
125.03574	2.6
125.04796	5.2
126.04341	0.8
126.05607	3.1
127.05122	10.4
131.04642	1.9
137.07198	5.0
138.05634	2.3
139.08765	1.1
140.07185	14.4
142.03296	2.0
143.04617	4.5
149.25223	0.8
150.04361	1.3
152.03503	4.4
154.05107	0.8
155.08266	25.9
160.00691	1.9
164.35400	0.7
165.06696	18.6
166.05054	2.6
169.06203	1.7
177.03394	2.8
179.70132	0.7
181.06129	2.1
183.07739	34.5
186.02303	2.3
197.05649	1.7
209.05627	1.1
215.06734	3.1
225.05147	2.2
227.06718	85.6
228.07068	2.0
261.05490	100.0
262.05606	2.2
291.19693	1.5
317.21048	1.0
331.19031	1.1
337.40494	0.9
368.39020	1.1
553.25995	3.7
553.34937	4.4
559.61639	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85536	0.9
56.01443	0.9
58.46112	0.9
59.01380	11.6
69.38910	6.9
71.01386	4.1
72.88242	0.9
73.02939	1.0
83.01388	1.1
85.02956	2.9
89.02447	1.8
96.96040	3.5
101.02450	2.7
108.02158	1.5
113.02442	4.8
119.05072	1.5
121.02981	8.6
122.03748	5.5
123.04525	4.7
132.02225	1.6
133.02977	3.7
134.03758	2.1
135.03026	1.4
135.04533	6.9
136.01672	1.2
136.05307	16.5
137.06119	3.0
147.04442	2.0
149.02437	22.8
149.06087	3.2
150.03224	63.4
151.04037	13.5
151.07634	2.6
161.02425	1.5
163.04007	2.2
164.04819	5.6
165.05580	40.9
166.05943	1.2
174.31146	0.9
177.05600	1.6
180.04292	2.2
181.05101	8.0
195.06633	43.7
196.07022	1.2
269.08307	1.3
283.09720	7.1
284.10385	1.8
299.09201	1.5
306.07608	2.2
311.09207	10.9
325.10757	2.3
340.26224	1.1
343.11874	79.3
344.12198	4.3
357.13611	1.3
367.11826	4.1
385.12872	1.2
391.14001	100.0
392.14328	6.4
415.13727	1.2
467.15503	1.3
509.16971	1.5
553.19934	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	9.1
60.01477	1.0
60.55328	0.7
62.94601	0.9
70.67381	2.7
71.01383	1.6
72.11286	0.9
72.99341	0.9
73.02921	1.0
83.01432	1.3
88.98803	2.0
89.02432	1.6
101.02415	1.3
103.00513	0.8
108.02161	2.0
113.02412	2.0
119.04989	2.2
121.02950	9.6
122.03765	4.4
123.04533	6.2
132.02202	1.8
133.02966	2.5
134.03706	3.5
135.04552	6.1
136.05298	17.2
137.06064	2.6
143.76956	1.0
147.04532	1.4
149.02441	18.2
149.06096	3.5
150.03223	57.0
151.04022	16.2
151.07648	2.9
152.04236	1.0
153.19154	0.9
163.03983	1.5
164.04774	6.0
165.05571	34.9
166.05876	1.4
175.52852	0.9
177.05663	0.9
178.02661	1.3
180.04245	1.8
181.05096	7.6
193.05029	3.6
194.05508	2.7
195.06622	41.6
196.06960	2.2
199.00580	1.0
204.04259	1.0
211.95717	0.9
250.54201	0.9
269.08023	1.8
283.09784	6.9
284.10336	2.4
311.05746	1.3
311.09229	11.3
312.09326	0.9
325.10822	1.3
329.06949	1.0
343.11847	79.0
344.12082	4.2
367.11798	4.1
373.12918	2.3
385.12747	1.6
391.13971	100.0
392.14328	6.1
415.13693	1.8
433.14944	1.1
553.19208	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	552.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.5
61.98831	2.1
69.33389	3.8
78.95907	5.5
98.21775	0.4
117.07697	0.4
128.85507	0.4
135.04556	0.5
152.99503	1.2
159.04482	0.6
165.55106	0.4
168.04300	1.7
224.06886	1.0
242.07982	3.3
251.36340	0.4
259.20706	0.6
275.20187	0.5
277.21710	100.0
278.22043	5.6
399.08322	0.5
450.04022	0.5
502.29413	34.5
503.29431	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	552.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	21.1
61.98831	6.9
71.31698	1.1
74.68578	0.9
78.95910	18.0
96.96065	1.1
109.02950	1.0
116.20461	0.8
118.31614	1.0
119.96056	0.9
152.99557	3.6
168.04288	2.6
169.96434	0.9
224.06882	8.0
253.21719	100.0
254.22084	4.4
285.66705	1.0
478.29379	54.7
479.29721	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	552.0781
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78278	1.5
55.20396	1.3
59.01384	14.3
61.98831	36.7
62.13791	1.4
69.54995	9.8
71.01381	7.0
73.25145	1.2
79.61275	1.7
83.01383	2.0
85.02953	1.9
89.02408	1.9
96.96004	3.1
98.20609	1.8
101.02408	2.3
108.02163	1.8
109.02949	12.4
110.74740	1.6
113.02471	1.6
123.24339	1.3
125.15432	1.4
133.02939	4.8
135.04509	13.0
145.02965	1.7
149.06125	2.2
159.04520	20.8
161.02419	5.1
167.05019	1.4
171.04529	9.0
171.10257	2.7
172.05342	2.0
173.02328	1.9
175.04073	1.5
182.03683	2.1
185.06096	2.9
197.06073	3.5
198.03180	7.1
199.03998	25.7
203.03413	3.5
209.06143	2.4
211.03705	1.7
212.04674	1.9
213.05542	5.3
214.02727	1.5
217.04948	3.6
221.06139	2.8
224.04871	1.5
227.03551	3.1
237.05534	2.2
240.04300	10.3
241.05042	46.1
242.05431	1.9
243.02652	2.6
245.04303	2.9
249.05473	2.0
253.04994	1.5
265.05093	3.5
267.02957	2.6
267.06570	2.3
274.44659	1.4
277.04956	1.8
278.05493	1.6
279.06528	1.5
281.04544	2.3
283.06104	28.3
285.04053	4.7
291.06589	4.3
292.42456	1.5
296.92279	1.3
307.05972	2.7
308.06873	4.9
309.04077	13.6
317.08130	2.2
323.05496	7.9
329.23468	1.6
335.05563	13.6
336.06244	2.3
347.99786	1.3
359.09332	1.9
401.10541	1.7
403.08182	21.9
431.43253	1.7
445.09280	100.0
446.09406	7.1
489.08224	4.2
494.32056	1.6
507.28067	4.3
508.28323	4.4
551.30865	2.6
552.31305	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	551.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70745	2.5
59.01381	50.9
61.98826	8.4
71.01387	22.3
71.52055	3.4
72.99316	3.7
73.02940	6.4
76.39866	2.6
83.01395	4.2
85.02943	4.7
87.00836	2.7
89.02451	3.3
96.96014	10.2
101.02440	14.3
113.02397	4.7
115.00344	4.4
127.31130	2.6
133.01453	6.6
133.02956	4.9
134.03665	3.3
135.04529	12.7
155.52892	2.6
159.04543	3.4
161.02463	2.7
171.10258	3.7
177.01929	5.7
178.02626	4.0
179.03494	7.8
189.01912	4.4
195.06577	2.8
221.00883	7.2
233.00922	4.5
283.01279	4.9
285.20615	3.8
288.96384	2.7
303.21802	25.9
435.10822	4.1
447.25916	10.3
465.27121	28.0
466.27338	2.9
507.28046	100.0
508.28369	6.6
551.19556	3.7
551.31299	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	551.3072
Annotation	Capisterone B
Peak:m/z	Relative Intensity
51.39936	0.4
55.01874	0.6
57.03431	1.0
58.00568	0.5
59.01114	0.6
59.01378	10.4
61.98838	0.5
69.69930	0.4
71.01377	6.8
72.99312	0.6
73.02946	5.7
74.01658	0.3
83.01373	1.5
83.04999	1.1
85.02942	3.5
87.00825	0.4
89.02440	3.7
95.01360	0.4
97.62573	0.4
98.19946	1.1
99.00871	0.5
101.02437	5.5
109.06586	0.4
113.02451	3.1
113.06122	0.4
119.03496	1.1
125.09753	0.5
130.70854	0.4
137.09698	1.5
139.11241	0.4
155.14378	0.7
183.13869	0.4
187.09731	0.5
213.14905	1.5
221.19028	0.5
223.20531	0.4
227.16682	0.5
231.12314	0.5
249.18530	0.7
259.15536	2.5
261.18661	0.5
263.20187	0.8
279.19559	0.5
293.21188	1.2
295.22824	1.9
305.20929	0.4
307.22830	2.3
309.20697	0.4
309.24286	1.5
359.24408	1.2
371.24298	1.2
373.25906	3.5
378.83249	0.4
389.25497	1.7
507.28082	0.5
521.29657	1.6
529.87952	0.4
551.30688	100.0
552.31134	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	551.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13746	2.5
55.01885	2.1
59.01380	42.2
61.98827	3.1
65.89709	2.2
69.68861	12.1
71.01382	15.8
73.02921	4.5
77.07602	2.2
81.22530	2.1
83.01390	2.2
85.02969	5.8
85.74500	2.2
89.02431	3.6
96.96000	3.5
101.02435	11.4
105.26411	2.3
113.02456	2.6
115.00379	3.4
133.01443	4.9
133.03011	3.4
135.04509	4.8
138.67491	2.3
147.72571	2.3
156.72707	2.3
159.56592	2.3
177.01921	3.2
179.03384	2.9
189.01939	3.3
195.06639	5.1
221.00949	3.5
283.01343	3.7
284.77170	2.6
285.20685	3.2
298.08221	2.9
303.21741	23.6
435.10614	4.9
447.25909	12.5
465.26978	27.8
507.28009	100.0
507.35587	5.1
508.28235	6.8
551.31439	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70934	1.2
55.01874	1.8
56.86806	1.4
58.00571	1.3
59.01380	74.4
61.98833	2.9
69.53207	1.1
71.01381	12.7
73.02939	5.6
83.01369	2.8
83.29855	1.4
85.02934	6.7
87.00861	1.4
89.02443	2.0
96.95998	3.2
99.00915	1.9
101.02459	9.8
106.34018	1.4
113.02434	4.3
115.00371	3.3
130.69417	1.2
133.01433	4.5
135.04533	3.5
148.38333	1.4
157.08679	1.4
175.07693	1.5
177.01984	1.9
179.03500	2.0
198.45558	1.4
213.18166	1.4
229.43333	2.2
285.20605	3.4
303.21750	7.5
405.24792	1.5
435.10663	2.0
447.25995	6.9
462.64340	1.6
462.99857	1.4
465.27020	11.1
466.27563	1.7
489.26852	5.2
507.28073	100.0
508.16541	2.1
508.28595	8.6
551.30768	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	551.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44623	0.7
57.03450	1.2
59.01381	16.7
69.74483	3.7
71.01378	7.1
71.49200	0.7
72.99299	0.7
73.02933	1.2
78.95897	2.8
79.95731	1.1
80.05058	5.6
83.01356	1.0
85.02959	1.4
89.02444	2.1
92.05048	1.2
92.50665	0.7
94.06619	5.6
96.96008	23.4
96.96971	3.2
97.95920	1.4
98.95587	16.2
98.96399	2.6
99.00847	1.1
101.02413	2.8
106.06630	7.0
108.04573	4.4
108.08186	10.3
113.02460	2.1
115.00341	0.8
118.06646	2.2
119.03542	0.8
120.08191	32.9
122.06123	2.4
131.03691	0.8
132.04526	2.0
134.06111	4.5
135.04526	0.7
136.07706	7.3
143.10703	1.0
146.06094	1.5
148.07686	38.3
149.08055	1.0
150.09222	1.6
152.07169	25.4
153.07567	0.8
159.03101	0.9
163.11304	2.0
164.07169	3.9
166.08667	1.1
167.33656	0.8
174.05602	2.4
175.06386	1.8
176.07092	2.4
180.06657	19.4
180.62404	0.7
183.09306	0.7
185.10806	1.0
192.06816	0.7
196.06166	4.4
201.10150	0.9
211.08647	1.0
213.10345	1.9
213.13995	1.4
219.97493	0.8
225.10152	0.8
226.11136	0.7
227.11897	3.2
229.13353	1.1
240.09192	0.6
241.13414	3.7
245.12936	2.7
254.10583	2.1
255.11389	6.5
259.15665	1.0
265.13361	0.9
267.11374	5.2
273.12415	3.2
283.14459	1.6
299.14066	2.3
309.12439	2.8
317.14990	10.1
327.13519	6.3
345.14520	100.0
346.14786	6.2
350.85266	0.7
371.12302	2.4
373.26050	1.2
389.13525	61.1
390.13724	3.5
431.14566	2.3
517.00970	0.7
551.18817	18.3
551.30737	37.1
552.19330	1.4
552.30804	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1767
Annotation	Methylgrandifloroside
Peak:m/z	Relative Intensity
58.91604	1.1
59.01371	1.7
68.95430	1.4
70.88952	2.0
70.89311	2.6
71.01370	3.2
84.82850	1.2
85.02946	1.2
88.98760	1.4
93.03463	2.7
95.01407	1.6
113.02458	3.3
119.04977	1.3
121.02938	10.9
122.03716	5.5
123.04504	2.5
132.02199	2.1
133.02959	3.9
134.03735	62.8
135.04498	4.1
136.01642	1.5
137.02437	7.4
139.04010	2.6
147.04532	2.3
148.05234	1.3
149.02451	20.7
149.06084	18.0
150.02013	2.5
150.03226	50.2
151.04013	12.9
160.01642	9.3
164.04866	3.2
165.04158	2.6
165.05563	55.7
166.05838	2.0
175.03999	10.8
176.04797	4.9
178.02692	31.5
179.12679	1.3
180.04271	4.6
181.05083	6.2
191.07135	4.8
192.04370	1.6
193.05048	100.0
194.05380	2.2
195.06621	35.0
235.06041	8.3
239.07156	2.7
250.06372	2.9
254.09357	1.6
267.06592	3.3
282.08957	7.7
297.11270	2.2
341.10294	44.4
355.10666	2.1
383.11322	2.4
389.12418	50.0
390.12650	2.8
392.68185	1.3
431.13187	2.2
551.17694	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	551.1768
Annotation	Lactucaside
Peak:m/z	Relative Intensity
56.40240	1.1
57.02372	1.1
59.01394	2.5
60.10807	1.0
71.01360	1.5
82.65435	1.2
93.03451	2.3
101.48810	1.1
113.02460	2.1
121.02970	6.8
122.03750	4.7
123.04552	7.6
132.02180	1.7
133.01418	1.2
133.02957	3.2
134.03740	89.1
135.02986	1.0
135.04472	6.3
136.01653	2.2
137.02440	9.7
137.55624	1.2
139.04013	3.0
147.04512	2.3
149.02448	15.0
149.04941	1.3
149.06071	20.6
150.03223	36.8
151.04004	25.2
160.01630	2.6
163.03937	1.4
164.04807	3.0
165.05565	34.4
175.04005	3.4
176.04755	3.5
178.02710	42.4
179.03276	1.4
180.04218	2.2
181.05037	18.2
191.07138	4.1
192.04253	2.7
193.05048	98.2
194.05373	3.3
195.06598	13.6
202.02570	1.2
235.06108	15.0
239.07104	1.4
251.06937	1.1
267.06729	2.7
282.09024	7.2
297.11295	3.8
341.10300	23.5
383.11249	2.8
389.12411	100.0
390.12390	5.8
431.13434	3.8
435.10782	1.5
551.17615	14.2
552.17596	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	551.177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.8
64.17442	0.5
66.53168	0.5
70.64729	1.7
77.28368	0.6
85.77887	0.5
89.87022	0.5
93.03458	1.7
105.03477	0.6
113.02454	1.3
116.88724	0.5
119.04939	0.5
121.02958	9.6
121.45827	0.5
122.03759	3.4
133.02951	2.0
134.03743	47.6
135.04533	1.7
137.02435	5.7
139.03966	1.5
143.77151	0.7
147.04521	1.0
149.02437	14.3
149.06073	14.5
150.03229	32.9
151.03925	1.9
164.04819	3.0
165.05569	36.4
166.05852	1.1
175.03958	0.7
178.02715	28.8
179.03239	0.7
180.04279	2.2
181.05081	1.5
191.07089	0.9
193.05048	100.0
194.05377	2.4
195.06618	29.3
195.21048	0.5
196.06889	0.9
205.06549	0.6
223.07779	0.6
233.05946	0.6
234.06783	0.9
235.06021	1.4
238.10530	0.6
239.07106	2.4
244.21706	0.7
250.06276	2.4
253.08755	1.0
254.09627	0.7
265.08630	0.8
267.06619	2.0
282.08975	7.7
297.11343	0.9
341.10291	38.1
342.10571	2.2
355.56033	0.6
383.10953	0.7
389.12427	29.0
390.12531	0.8
487.59567	0.8
551.18109	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	550.214
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73008	0.5
52.01168	0.5
59.01379	51.1
60.01707	0.5
61.98829	100.0
69.51483	3.0
71.01382	4.2
73.02927	0.9
85.02964	1.3
89.02439	2.6
101.02447	2.6
105.67928	0.4
113.02440	2.3
119.03516	0.9
123.48842	0.5
143.97404	0.5
161.04558	0.7
212.09435	0.5
310.30777	0.5
381.25571	0.6
383.20816	3.3
401.21799	2.2
402.41736	0.5
443.22928	2.4
492.36731	0.5
513.68915	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.287
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.8
59.10088	0.4
61.98830	100.0
65.56877	0.4
70.66097	1.0
72.73757	0.4
73.91873	0.4
74.96624	0.4
83.04379	0.4
83.05011	0.4
113.16167	0.4
117.63343	0.5
135.04489	0.6
141.03662	0.5
142.75542	0.4
177.04240	0.5
231.62807	0.5
252.20570	0.8
369.49957	0.5
394.55530	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	6.4
69.09912	1.9
69.12038	1.8
71.50504	2.8
72.94500	1.8
77.95893	1.7
86.17867	1.9
93.03439	4.6
112.53970	1.9
121.06587	7.7
123.94257	2.1
130.40021	1.6
148.13873	1.9
165.05563	100.0
166.05853	2.0
191.05539	4.5
208.06055	3.4
209.04535	41.9
209.06395	3.8
317.52002	2.3
341.10818	3.2
401.79987	2.0
428.72772	2.0
455.32654	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	549.3197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	3.7
66.55551	0.7
69.79896	3.5
71.05015	2.4
78.67616	0.9
78.95902	10.6
80.52845	0.8
90.13598	0.9
97.06612	1.7
104.78272	1.0
110.98518	9.2
113.06058	1.7
121.02922	1.1
125.06079	3.7
141.05554	1.2
143.07138	100.0
144.07468	1.9
147.12248	1.0
152.99640	1.5
167.01115	3.5
232.84793	0.9
255.23285	48.4
256.23672	1.4
293.08017	1.1
353.00534	1.0
423.25159	7.1
549.31891	13.6
550.31641	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	17.1
61.98821	2.1
63.75548	0.7
71.01379	2.6
71.52344	0.9
71.85152	0.6
73.02967	0.7
73.31338	0.5
78.71794	0.6
78.95874	0.6
89.02431	1.7
91.98798	0.6
99.01022	0.6
101.02424	3.1
111.56811	0.8
113.02467	1.5
119.03510	0.7
161.04535	1.2
235.08235	1.3
243.05025	0.6
248.32336	0.6
253.09274	12.0
253.21715	100.0
254.22072	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	550.1533
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97557	5.2
59.01377	4.2
61.98831	2.1
69.32504	4.1
69.32847	0.7
70.62011	0.5
71.01375	3.0
73.02952	1.3
74.71339	0.5
79.95731	7.3
80.96499	4.7
83.01376	0.9
85.02948	1.2
87.00892	1.1
96.96011	76.4
98.19882	1.0
101.02453	4.4
105.03522	0.5
113.02451	2.4
129.01837	0.7
137.96272	0.8
138.97058	5.8
150.97054	1.6
163.89868	0.5
166.96558	0.9
172.80627	0.5
187.07635	0.9
188.00807	0.5
241.00229	25.3
256.99738	1.6
283.01437	0.5
302.20395	0.5
313.05994	28.6
330.08615	74.9
331.09021	2.3
355.08276	2.2
367.08322	0.6
372.04199	13.4
397.12839	42.7
398.13190	1.7
404.06720	0.6
431.11597	100.0
432.11835	6.1
449.12296	1.0
468.16983	0.5
519.90546	0.6
550.15265	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	550.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97556	6.2
59.01375	6.9
60.46698	0.6
61.38446	0.6
61.98823	3.0
70.49822	0.8
70.50175	2.1
71.01380	3.9
79.95734	9.4
80.96521	5.4
83.01389	1.0
85.02966	2.0
87.00890	1.2
89.02415	0.7
96.96011	86.6
101.02443	4.3
113.02448	2.0
122.97511	0.7
123.04515	0.5
133.01524	0.9
135.04509	1.3
137.96278	1.3
138.97067	5.2
150.48798	0.6
150.97078	1.7
166.32533	0.6
166.96635	1.0
169.28535	0.7
180.98138	1.1
187.07626	1.1
231.10196	0.9
238.98517	0.9
241.00237	27.7
242.00684	0.7
256.99759	2.3
277.10461	0.7
283.01239	1.0
299.88965	0.6
301.68039	0.6
313.05978	31.2
314.06436	0.9
330.08624	72.3
331.08969	2.6
355.08090	2.0
372.04266	12.5
397.12845	40.5
398.13184	2.3
431.11603	100.0
432.11868	5.4
449.12308	1.5
550.15308	9.8
551.16589	0.6
571.89514	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.1
58.34813	0.4
59.01381	12.5
60.99303	0.8
61.98831	2.3
66.02985	0.4
69.03436	0.4
71.01381	5.5
71.05007	0.5
71.52739	0.4
72.99318	0.9
73.02940	1.1
78.20326	0.5
83.01360	0.6
85.02962	2.1
88.98804	5.6
89.02446	3.5
90.01105	0.4
96.96014	0.6
97.06561	0.6
101.02453	3.0
112.80131	0.5
113.02429	1.5
115.00340	0.4
116.48035	0.4
119.03524	0.7
125.02408	0.6
135.04474	0.6
137.02441	1.5
177.01930	0.6
196.76355	0.4
197.15471	1.1
200.49657	0.4
213.15089	0.7
215.12886	0.9
245.22748	1.4
249.22223	0.8
261.22223	0.4
265.21747	0.5
279.23163	0.5
281.52686	0.4
289.21695	0.9
291.23276	0.6
295.22815	2.3
307.22794	2.6
309.24387	2.3
311.22180	1.9
323.22290	1.1
325.23810	4.8
327.21786	0.6
332.08630	0.4
333.20798	0.6
339.21741	1.2
341.23270	3.6
351.21637	1.7
353.23282	2.7
357.22778	0.7
369.22980	3.1
371.24234	1.9
387.23868	3.0
487.28833	0.5
501.26770	0.8
503.28506	1.5
505.26593	0.5
513.27252	0.4
519.27948	1.0
531.28027	5.2
549.29144	100.0
550.29547	7.6
552.24432	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21510	0.1
59.01379	0.5
59.26334	0.1
61.19338	0.2
69.36134	1.3
71.01376	0.5
78.95904	5.9
79.95744	2.4
96.96013	100.0
96.96919	9.6
105.03477	0.3
108.16087	0.2
109.02992	0.2
115.00393	0.4
133.01434	0.5
133.02980	0.3
134.06104	0.2
135.04550	1.2
135.88818	0.1
137.02452	0.8
177.01904	0.6
179.03513	0.3
180.97461	0.1
196.82426	0.1
209.04520	1.2
211.06093	0.2
315.08771	0.3
327.09113	0.2
343.12976	0.3
344.13382	0.2
345.09790	0.3
549.29504	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.7
61.98846	0.2
68.62289	0.2
69.94759	1.2
77.03974	1.6
84.09531	0.2
84.14777	0.2
86.37467	0.3
93.03450	0.5
94.55656	0.2
98.19806	0.3
117.99735	0.3
120.02033	0.2
121.02956	100.0
122.03236	1.4
137.02428	0.5
159.04442	0.3
165.01926	55.2
166.02271	1.0
180.05714	0.3
181.06581	2.6
188.45879	0.3
191.03392	0.3
197.06065	2.6
207.04558	0.5
225.05597	1.7
251.07193	0.3
257.09714	0.6
285.09320	0.4
301.08578	0.3
313.07013	1.3
329.07733	0.3
349.09467	0.3
357.06091	1.1
373.10849	0.3
383.08017	0.7
417.09760	2.6
505.11276	1.9
549.10376	26.0
550.10785	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.99302	11.5
61.98830	60.5
71.01381	26.4
71.52222	6.3
73.02930	6.3
81.34541	3.5
85.02943	6.0
88.98805	61.7
89.02427	8.2
90.72046	4.0
95.95387	3.7
96.96019	10.8
99.00915	4.1
101.02438	12.3
113.02435	9.8
115.00379	6.2
125.09769	6.6
133.01460	8.3
133.02963	4.9
135.04541	9.4
137.02425	6.0
150.05614	12.6
159.04565	5.8
161.02435	8.4
171.10170	4.4
177.01955	8.2
180.18680	4.0
187.09752	4.3
215.12875	8.8
240.57817	4.9
245.04488	5.3
274.45642	4.3
301.09927	4.2
355.11868	14.4
387.23822	16.6
389.18124	3.9
437.34045	3.9
463.02521	10.2
549.28809	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	549.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49221	1.2
59.01363	4.7
63.70461	1.2
69.48511	9.0
69.91409	1.1
71.01390	2.6
71.36597	1.0
78.49066	1.3
87.00887	1.4
96.96880	1.2
98.20627	2.5
107.01446	2.8
108.02183	1.3
109.02942	2.0
121.02966	1.5
135.00848	1.4
135.04530	1.8
148.01691	1.3
151.00349	11.7
151.03955	2.2
163.00368	2.8
178.99876	5.9
187.04033	1.6
226.02629	1.5
227.03389	2.5
243.02966	13.1
254.02071	2.1
255.02974	30.9
256.03625	1.6
271.02475	62.4
272.02905	3.8
299.19031	1.4
300.02740	100.0
301.03470	44.1
302.03726	1.4
312.09995	1.6
315.12167	2.5
327.12292	1.8
463.08710	2.3
505.09851	63.5
506.10062	4.6
549.29321	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	20.5
61.98831	100.0
69.49321	2.5
71.01381	2.1
73.02950	0.5
77.71232	0.4
83.01429	0.4
85.02984	0.7
89.02467	1.3
101.02443	2.1
113.02454	0.9
119.03532	0.6
377.06482	0.4
381.23154	1.7
399.23859	3.4
441.24716	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	548.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67439	0.4
55.36146	0.3
57.03471	0.5
59.01379	1.2
61.98829	100.0
62.52099	0.3
68.99587	0.3
70.20017	1.5
89.48982	0.4
94.06100	0.4
113.13092	0.4
245.04459	0.4
249.18718	0.5
261.68646	0.4
349.18808	0.4
463.11615	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29745	0.1
59.01371	0.4
60.01267	0.1
61.98832	100.0
69.29138	1.4
72.30242	0.2
80.96525	0.5
86.02338	0.2
143.10074	0.2
249.18686	0.5
250.19019	0.4
251.19270	0.3
549.24115	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.7
57.03455	1.9
58.00603	0.8
59.01379	100.0
60.01719	0.5
61.98832	2.2
68.30585	0.2
69.03468	0.5
69.18949	1.5
69.19373	0.9
71.01381	17.3
71.05039	0.3
72.99331	0.6
73.02949	5.0
75.00879	0.4
78.95909	0.3
83.01383	2.0
85.02948	6.9
87.00859	1.1
87.04532	0.6
89.02442	6.9
93.07077	1.2
95.01397	1.4
97.02972	0.4
99.00886	3.8
101.02444	11.1
106.85162	0.2
111.00941	0.3
111.08171	2.4
113.02451	12.9
119.03498	2.8
125.02472	1.0
129.01956	0.4
131.03505	0.7
131.34724	0.2
135.04538	0.5
143.03493	1.7
149.04607	0.4
159.02946	1.1
161.04553	9.0
178.04764	0.6
179.05579	2.1
179.06750	0.2
197.15414	1.1
197.86243	0.2
200.02785	0.3
212.16862	0.2
213.18602	3.5
313.27692	0.7
325.27512	0.9
327.29205	0.4
343.28488	5.0
367.28458	0.4
385.29825	0.5
390.36383	0.3
409.29617	0.8
487.32779	12.1
488.33218	1.0
505.33890	4.5
506.33987	0.3
551.24072	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	37.0
61.98830	100.0
68.41682	0.3
71.01385	7.1
73.02953	3.2
83.01405	1.2
85.02951	2.0
86.93096	0.3
87.00880	0.6
87.04536	0.5
87.63298	0.4
89.02444	5.3
95.01384	0.6
99.00874	0.8
101.02441	7.1
113.02448	2.8
119.03510	2.7
131.03461	0.4
143.03546	1.0
149.04562	1.1
161.04555	2.9
168.32971	0.4
173.78012	0.3
179.05634	3.2
208.00682	0.4
229.25925	0.4
279.19949	0.4
291.56024	0.4
322.11197	0.4
381.23056	1.2
399.23792	4.3
413.69781	0.4
441.25006	1.1
497.67081	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.9
57.03455	0.9
58.00566	0.8
59.01381	100.0
61.98833	45.2
63.35078	0.8
70.52785	0.8
70.53109	2.5
71.01379	7.8
73.02942	1.6
78.95902	2.0
82.17699	0.8
82.21741	0.8
83.01387	0.9
85.02937	2.8
89.02449	6.3
99.00845	1.1
101.02444	7.2
101.06131	0.9
113.02428	3.3
119.03490	2.9
120.38776	0.9
125.02386	1.1
135.04588	1.2
143.03577	0.9
161.04485	1.9
179.05588	3.3
215.70537	0.8
311.95410	0.8
381.22748	2.6
399.23871	5.7
441.24832	1.4
457.83951	0.9
460.05408	0.8
471.78357	0.8
510.07983	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.35
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27306	0.3
55.01897	1.2
57.03455	1.2
58.00592	0.4
59.01380	100.0
60.01712	1.7
61.01811	0.8
61.90482	0.3
61.98826	3.1
69.03450	0.3
71.01385	14.4
72.99332	0.3
73.02948	4.0
83.01381	2.5
85.02953	8.3
85.03464	0.4
87.00889	0.7
89.02437	3.7
95.01390	1.9
97.02975	0.4
98.20670	0.6
99.00873	2.0
101.02444	9.0
101.03104	0.5
109.95099	0.2
111.00913	0.8
112.01674	0.4
113.02450	10.0
119.03481	1.6
121.10241	0.8
125.02463	1.3
126.93491	0.2
143.03485	1.4
149.04643	0.3
149.13417	0.7
157.12326	1.2
159.03043	1.0
161.04567	6.4
179.05672	0.3
210.77968	0.2
301.16705	0.6
309.45050	0.2
315.34909	0.3
319.17642	0.5
325.27499	0.6
329.19785	0.6
343.28467	2.1
347.20825	0.7
367.28754	0.3
392.86432	0.3
457.31998	0.4
469.31842	0.6
487.32761	25.2
488.32956	1.7
505.33865	15.3
506.34570	1.1
547.34955	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.2
57.03441	1.2
58.00586	0.5
59.01378	100.0
60.01711	0.7
60.41626	0.4
61.98829	27.5
64.89716	0.4
65.04117	0.4
66.34756	0.5
69.03446	0.5
70.84674	1.0
71.01380	15.6
73.02944	3.7
75.00907	0.4
83.01389	2.7
85.02945	9.2
87.00878	1.5
89.02444	3.5
94.99159	0.5
95.01376	2.3
97.02943	1.0
99.00864	2.4
101.02444	9.0
103.52158	0.4
111.00901	0.6
113.02447	13.1
114.02738	0.4
115.04049	0.6
119.03468	0.9
121.10249	1.3
124.01708	0.6
125.02471	1.5
135.04517	0.5
143.03484	3.6
157.12297	0.7
159.03011	0.9
161.04555	6.2
179.05669	0.6
180.09273	0.4
185.15536	1.9
197.38870	0.5
216.56987	0.4
343.28619	2.4
413.24841	0.8
487.32730	27.8
488.33249	1.9
505.33792	11.7
506.34274	0.6
547.34839	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	20.7
61.35707	1.2
61.98845	1.5
68.99575	3.1
70.37750	2.7
70.38158	2.2
71.01382	4.5
75.08105	1.1
87.00851	1.4
89.02428	2.2
96.96012	2.2
101.02437	4.2
101.90825	1.3
112.98534	1.6
113.02419	2.4
123.04536	3.3
153.05424	2.2
154.54936	1.1
190.18887	1.2
193.95483	1.3
251.20148	100.0
252.20512	4.3
253.09236	14.0
350.85837	1.3
453.47397	1.4
533.15192	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.7
57.03455	1.9
58.00603	0.8
59.01379	100.0
60.01719	0.5
61.98832	2.2
68.30585	0.2
69.03468	0.5
69.18949	1.5
69.19373	0.9
71.01381	17.3
71.05039	0.3
72.99331	0.6
73.02949	5.0
75.00879	0.4
78.95909	0.3
83.01383	2.0
85.02948	6.9
87.00859	1.1
87.04532	0.6
89.02442	6.9
93.07077	1.2
95.01397	1.4
97.02972	0.4
99.00886	3.8
101.02444	11.1
106.85162	0.2
111.00941	0.3
111.08171	2.4
113.02451	12.9
119.03498	2.8
125.02472	1.0
129.01956	0.4
131.03505	0.7
131.34724	0.2
135.04538	0.5
143.03493	1.7
149.04607	0.4
159.02946	1.1
161.04553	9.0
178.04764	0.6
179.05579	2.1
179.06750	0.2
197.15414	1.1
197.86243	0.2
200.02785	0.3
212.16862	0.2
213.18602	3.5
313.27692	0.7
325.27512	0.9
327.29205	0.4
343.28488	5.0
367.28458	0.4
385.29825	0.5
390.36383	0.3
409.29617	0.8
487.32779	12.1
488.33218	1.0
505.33890	4.5
506.33987	0.3
551.24072	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3041
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31037	0.4
59.01379	28.7
67.01656	0.4
69.03455	11.9
69.59233	2.3
69.59640	1.1
71.01394	0.6
73.70918	0.5
78.95909	9.1
95.05001	0.6
97.06580	2.2
110.98531	8.3
111.04515	0.8
141.05582	100.0
142.05899	2.0
149.09715	1.4
159.11980	0.4
167.01175	5.3
209.39354	0.5
217.30504	0.5
255.23294	41.4
256.23636	2.0
266.66647	0.5
291.06390	0.6
309.07303	0.6
325.21445	0.6
405.24359	0.7
423.25159	8.9
547.30322	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47575	1.3
59.01382	24.8
59.15300	1.7
60.99308	15.2
69.44299	1.6
71.01396	8.3
71.47425	1.3
71.52845	2.3
73.02945	3.8
85.02954	2.2
88.98808	100.0
89.02448	4.6
93.03469	1.7
96.86228	1.3
96.96004	2.2
98.32446	1.4
101.02450	3.5
109.02930	2.2
109.83865	1.4
113.02445	4.1
119.03512	1.9
119.05038	7.0
128.13435	1.3
135.04509	4.4
136.04056	2.5
137.02451	1.6
137.06075	1.9
151.03960	3.0
161.02425	4.4
165.05496	1.8
171.33627	1.4
177.02013	1.7
179.10735	2.0
181.05064	5.4
193.56326	1.8
212.62029	1.5
231.10222	5.7
255.02997	1.9
265.08640	2.1
271.02457	2.1
275.09094	1.6
283.09854	1.9
300.02762	2.5
313.10831	3.5
325.10632	3.1
341.10596	2.3
343.11826	6.6
441.15439	4.6
466.11014	3.3
547.20422	2.9
547.28595	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	547.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14405	1.1
55.69085	1.4
57.87688	1.3
59.01379	20.5
59.36823	1.2
60.99305	13.1
69.03428	1.2
69.44077	2.2
69.44481	7.1
71.01371	9.3
72.99297	1.7
73.02946	9.5
81.35035	1.1
83.01375	2.3
85.02955	2.2
88.98807	92.0
89.02434	1.5
96.95986	1.5
98.95589	1.3
101.02423	5.3
108.02187	2.2
109.03006	1.8
113.02428	3.6
121.02942	14.5
123.04507	2.6
135.04559	2.7
136.01624	4.9
137.02475	2.1
143.03473	1.5
147.04501	3.2
151.03955	5.6
159.04576	1.5
161.04510	1.6
177.01857	1.6
181.05040	2.7
216.65067	1.3
227.07036	1.9
237.05551	5.4
241.05006	2.4
241.08670	2.0
251.07101	3.0
253.05055	2.2
254.05672	1.4
255.06653	4.2
255.35204	1.4
256.07541	1.7
257.08102	1.8
265.08670	3.2
267.06693	1.8
268.07404	9.3
269.08139	23.5
283.09735	24.9
283.16333	1.5
284.10422	7.0
298.08582	1.9
299.09180	1.6
299.12604	2.3
310.08481	4.2
311.09171	10.4
325.10815	22.2
328.09366	6.3
343.11853	100.0
344.12210	4.9
357.13342	6.0
385.12973	9.5
441.15707	1.9
487.28723	1.3
531.13220	1.5
537.54437	1.3
547.28497	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	547.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00575	1.9
59.01378	84.0
61.98832	3.6
69.23682	12.4
69.24088	3.6
69.60339	1.8
71.01010	3.1
71.01381	47.5
72.99302	2.9
73.02936	5.6
83.01405	4.2
85.02956	8.4
87.00875	7.5
89.02448	41.7
90.83780	1.6
95.01370	4.2
97.02960	2.3
101.02444	31.0
107.08628	2.6
113.02467	21.7
115.00398	1.9
119.03506	21.9
125.02460	3.6
129.36417	1.7
131.03487	2.1
133.02882	1.8
135.08128	3.5
135.11789	11.4
137.02417	4.1
143.03444	4.6
149.04517	2.7
161.02359	3.6
161.04552	9.0
161.09694	10.2
164.53603	1.5
175.11246	3.0
177.01903	3.4
179.03465	2.8
179.05606	15.6
179.10774	100.0
180.11014	3.2
184.85211	1.6
189.12860	1.8
215.10759	3.6
223.09770	18.4
233.11765	3.6
234.43997	1.9
277.10873	2.4
278.17917	1.7
295.11771	2.2
299.09061	4.8
323.09756	15.8
325.10632	3.0
341.06815	2.6
341.10873	36.1
367.13928	12.7
435.91345	1.6
503.21298	7.8
547.20294	65.8
547.27386	3.7
548.20660	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87277	0.4
59.01381	11.9
61.98814	1.1
69.42213	1.2
69.42651	1.6
71.01384	4.9
73.02551	0.7
73.02945	8.9
75.00874	0.3
83.01398	1.9
85.02945	1.0
87.00880	0.6
87.77914	0.3
89.02454	1.3
93.03429	0.6
101.02432	3.2
108.02187	1.8
109.02934	0.7
113.02442	1.8
119.03493	0.8
121.02959	12.1
123.04546	3.1
134.03737	0.4
135.04533	1.2
136.01631	0.9
137.02415	0.8
137.06023	0.4
143.03427	0.6
147.04532	3.5
151.03998	0.7
155.03497	0.6
160.05272	0.5
161.06058	0.8
162.06848	0.6
175.07591	0.8
177.01923	0.9
179.05545	0.6
179.10713	1.0
187.83353	0.4
194.05763	1.2
196.05360	0.4
197.06087	0.5
199.07722	0.5
209.06154	0.8
211.04097	0.4
212.04707	0.6
213.09279	0.5
223.07661	0.9
224.08359	0.6
225.05495	1.3
225.09196	0.5
226.06354	0.8
227.07043	0.7
232.21600	0.4
237.05550	4.1
239.07133	0.8
240.04359	1.9
241.05067	1.7
241.08746	2.1
251.07104	1.9
252.04367	0.5
252.07863	1.9
253.05006	1.8
254.05803	1.5
255.06601	5.0
256.07291	1.2
257.08069	0.4
267.06616	1.9
267.10223	1.2
268.07385	7.5
269.08160	28.5
270.08621	2.2
271.09784	0.9
273.07672	0.5
282.08923	0.8
283.09753	26.1
284.10428	7.1
295.06076	1.3
298.08405	1.0
299.09659	0.6
299.12866	2.9
310.08618	1.1
311.09222	9.9
312.09735	1.3
313.10541	0.4
316.09357	0.5
323.09543	0.5
325.10788	4.4
327.08643	0.8
327.12106	0.5
328.09445	5.4
341.10660	1.8
342.11072	1.1
343.11838	100.0
344.12164	5.9
357.13388	9.4
367.11743	1.4
370.10587	0.5
385.12845	10.8
386.13147	0.8
505.19785	1.1
547.21289	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.0734
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01509	1.8
59.01379	4.7
71.01379	22.5
71.51740	2.1
72.99305	3.6
78.95915	2.2
88.04002	2.1
89.02442	4.4
96.96003	7.9
109.02944	3.2
114.99575	2.1
115.00376	34.5
116.92886	1.7
133.01428	53.9
133.02545	2.6
133.02917	3.9
135.02989	3.1
135.04527	4.3
147.04515	3.4
159.04456	7.2
161.02428	2.6
163.04001	4.1
174.03140	2.0
175.03975	7.5
177.01976	1.8
179.03517	2.4
187.04018	16.6
191.05688	1.7
197.05939	1.8
201.01920	1.8
211.07608	2.9
224.04759	5.2
225.05475	4.6
226.02756	2.8
227.03468	3.7
237.05470	3.9
239.07057	4.7
241.04845	2.3
242.05858	1.7
248.04652	2.3
249.05617	5.3
251.03372	4.1
252.04150	3.8
255.03038	5.6
255.06528	2.5
256.03799	9.3
257.04584	2.3
265.05014	9.2
266.05804	3.9
267.06638	4.5
282.05316	2.8
283.05896	4.0
293.04443	5.9
294.05240	2.0
297.07712	6.6
298.07996	1.8
311.05557	11.7
314.04352	19.2
325.07111	19.8
326.07715	2.5
343.08228	100.0
344.08487	3.3
355.04581	2.3
369.06223	3.0
387.07184	6.5
388.07489	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.073
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10364	1.3
55.85617	1.3
59.01373	5.8
70.86320	3.5
71.01380	20.6
72.99300	2.0
78.95902	1.8
89.02430	3.0
91.67206	1.4
96.96014	6.4
109.02961	1.7
115.00372	38.2
119.03451	1.7
133.01437	58.6
133.02963	2.9
135.02979	2.8
135.04494	4.7
146.03709	1.9
147.04491	2.8
159.04515	6.5
161.02345	1.7
163.04063	2.0
174.03149	2.7
175.04028	5.4
175.68858	1.6
177.01947	3.4
183.04497	2.0
187.04013	19.9
197.06090	2.2
211.03957	2.4
211.07640	2.1
221.06081	3.9
222.06688	1.8
224.04753	5.5
225.05644	2.6
226.02705	4.9
227.03424	3.8
237.05510	3.4
239.07170	4.0
248.04797	2.8
249.05513	5.2
251.03482	5.1
252.04298	4.5
255.02887	3.5
255.06616	1.8
256.03714	7.9
265.04996	7.9
266.05807	2.2
267.06641	6.1
270.05359	1.7
281.08093	1.6
283.06070	2.1
293.04517	6.3
297.07526	1.9
311.05661	12.7
314.04312	20.6
315.04846	1.6
325.07172	22.0
326.07596	3.3
343.08240	100.0
344.08588	7.4
369.06223	4.9
387.07272	3.9
488.74771	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	12.8
61.98817	1.3
71.01383	6.2
71.51841	0.9
71.71420	0.4
73.02956	8.0
74.77574	0.5
83.01382	1.7
85.02979	0.6
89.02451	1.5
93.03451	0.8
101.02461	2.5
108.02175	1.9
108.55293	0.5
109.02990	0.7
113.02439	1.3
121.02960	12.5
123.04543	3.5
134.03703	0.5
135.04535	0.9
136.01694	0.7
137.02455	0.8
143.03471	0.7
147.04572	2.9
150.03084	0.5
151.04044	1.2
155.03453	0.8
160.05319	1.1
161.02461	0.9
162.06818	0.6
177.01982	1.0
179.10745	0.8
194.05785	0.9
209.06084	0.9
211.04015	0.7
212.04720	1.3
223.07599	1.3
224.04890	0.6
224.08374	0.7
225.05586	1.3
225.09218	1.0
226.06407	0.6
227.07042	0.8
237.05559	5.8
238.06097	0.7
240.04169	1.4
241.05008	1.3
241.08763	2.5
251.07149	2.6
252.07817	2.3
253.05043	1.8
254.05800	2.1
255.06619	5.4
256.07397	1.1
257.08313	0.5
267.06650	2.2
267.10046	0.8
268.07407	9.0
269.08170	31.3
270.08667	2.3
271.09729	0.9
273.07565	0.7
282.09064	0.6
283.09760	24.9
284.10507	7.0
285.10992	0.6
295.06335	1.2
297.10953	0.7
298.08353	0.7
299.09177	1.5
299.12906	3.7
299.18198	0.5
310.08438	1.4
311.09213	9.6
312.09625	0.9
313.10309	1.2
325.10764	4.1
327.08719	0.7
328.09531	5.7
341.10794	2.1
342.10992	1.4
343.11850	100.0
344.12195	4.8
357.13440	8.9
367.11734	0.8
385.12915	11.1
487.18564	0.6
505.20178	0.8
547.28534	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.334
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37801	1.0
58.68956	1.0
59.01380	100.0
61.98833	9.2
67.04595	1.3
68.38195	1.0
70.26363	1.1
70.61063	1.4
70.61394	2.3
71.01382	14.5
73.02942	1.5
80.91702	1.8
84.39484	1.2
85.02953	4.5
87.00865	1.1
89.01922	2.0
89.02444	21.0
101.02440	9.7
113.02432	8.0
119.03490	10.1
131.03549	1.8
135.04596	1.2
143.03493	2.9
143.42087	1.2
161.04573	3.7
162.56244	1.0
179.05573	8.5
222.83853	1.0
253.09210	2.8
309.20685	5.2
357.80933	1.1
379.24698	1.1
485.31284	4.8
501.76627	1.6
534.05109	1.1
545.24158	5.0
545.32880	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	546.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77464	0.7
55.52541	0.6
59.01378	34.4
61.98829	100.0
67.42982	0.6
69.48278	3.9
70.05630	0.6
71.01378	4.6
73.02937	1.0
85.02930	3.3
87.23987	0.7
89.02457	1.4
97.02941	0.7
98.19890	1.0
99.00896	0.8
101.02443	3.5
108.08386	0.6
113.02477	1.5
121.03035	0.7
161.04581	1.4
206.00232	0.6
253.09242	1.1
291.19778	0.9
292.20047	2.1
309.20761	2.1
310.21121	2.8
397.22449	1.8
439.23511	0.8
445.28757	0.6
513.39471	0.7
545.33636	0.9
546.33527	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	37.0
60.01713	1.2
61.01045	1.0
61.19930	0.9
61.98830	100.0
69.34281	2.4
69.34685	5.7
71.01373	7.0
73.02948	3.0
74.49722	0.9
75.00886	0.9
78.95903	1.5
81.03465	1.0
82.69998	0.8
82.79086	0.8
85.02948	1.9
89.02443	2.2
96.96010	1.2
98.19891	1.2
99.08575	0.8
101.02426	5.4
113.02466	3.2
135.04514	2.3
144.62686	0.9
152.95497	1.0
161.04506	1.6
177.24864	1.0
177.78743	1.1
326.04922	1.2
352.06116	1.3
380.05859	1.4
485.31488	1.1
486.31482	4.1
487.32770	2.6
492.88083	1.1
505.33511	1.7
546.25037	1.7
546.33612	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	545.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26731	0.4
55.01877	1.4
57.03449	1.3
58.11689	0.5
59.01378	100.0
60.01719	1.1
61.01824	0.7
61.98830	4.4
71.01382	14.7
71.53141	0.7
72.99311	0.7
73.02955	5.5
80.52868	0.4
82.03034	0.5
83.01397	3.1
85.02956	6.8
87.00895	0.9
89.02436	3.4
95.01420	1.3
97.02962	0.6
99.00884	2.6
101.02446	13.2
111.00885	1.0
113.02441	8.4
118.98100	0.5
119.03505	1.3
125.02473	0.7
129.01996	0.5
131.03496	0.5
133.24806	0.6
135.04535	0.8
136.07755	0.5
137.02477	0.5
143.03523	0.8
143.59322	0.4
148.04088	0.7
149.04781	0.6
150.05647	0.8
159.03064	1.5
161.04553	9.5
162.04872	0.5
164.03622	0.8
173.03693	0.6
174.04398	2.1
179.05714	0.9
181.05180	0.6
189.06659	2.8
190.07478	6.4
215.61850	0.4
231.07756	2.6
231.09979	0.4
232.08545	6.9
233.09349	0.9
309.20871	0.8
382.17712	9.9
382.22452	0.6
383.18338	1.1
395.15179	1.1
425.25446	0.8
427.45331	0.5
442.61823	0.4
443.27170	0.6
485.31174	50.4
486.31662	4.1
503.32779	0.9
545.23505	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	545.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22958	0.7
54.54968	0.5
55.01886	1.5
57.03446	1.3
58.00598	0.6
59.01380	100.0
61.98821	3.1
69.03505	0.7
71.01384	16.4
71.52345	1.0
72.99329	1.1
73.02949	6.2
83.01383	2.9
85.02954	9.0
89.02439	4.0
95.01398	0.7
99.00888	1.8
101.02448	14.4
101.03104	0.8
111.00913	1.0
113.02454	7.7
119.03573	0.8
132.18491	0.6
135.04570	0.9
147.94142	0.6
150.05615	1.4
159.03032	2.4
161.04538	10.0
161.05699	0.8
174.04376	1.7
177.02100	0.6
189.06760	3.5
190.07478	7.3
231.07773	2.3
232.08539	5.1
309.20807	0.8
373.84918	0.6
382.17776	12.3
383.56293	0.6
395.14825	1.3
485.31189	59.2
486.31403	3.8
536.17786	0.6
545.24164	1.4
570.57184	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.3
57.03440	0.9
59.01381	100.0
61.98830	3.2
69.39696	5.2
71.01382	19.8
72.99307	1.0
73.02940	7.0
81.03483	0.7
83.01408	2.9
85.02951	9.0
85.29797	0.6
85.41335	0.6
86.62955	0.6
87.00906	1.2
89.02450	5.3
95.01408	1.2
96.96045	1.5
98.19949	1.5
99.00896	2.5
100.54471	0.6
101.02440	17.0
111.00900	1.5
112.73829	0.6
113.02450	8.6
115.00399	1.9
119.03522	2.1
125.02472	0.8
129.01974	0.9
133.01437	3.8
133.02985	1.2
135.04541	3.4
137.06081	0.9
143.03508	0.8
159.03026	1.9
161.02437	0.6
161.04556	11.8
161.05881	0.8
177.01987	0.8
179.03568	2.6
179.05556	0.7
181.05078	1.9
444.59814	0.8
485.31192	64.8
486.31644	5.7
501.27075	1.1
527.01746	0.8
567.47162	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.1
57.03458	1.0
58.00610	0.9
59.01380	37.0
61.98831	22.6
69.03474	1.9
69.71915	4.1
71.01381	16.6
72.99305	1.2
73.02946	4.8
78.95921	0.7
79.47670	0.8
81.08607	0.8
82.09792	0.8
83.01407	2.0
84.98212	0.8
85.02962	4.1
87.00865	1.6
89.02454	14.3
90.45876	0.7
94.69198	0.7
95.01395	1.6
97.02959	1.4
98.19934	0.9
98.62549	0.8
99.00896	0.8
99.33001	0.9
100.33864	0.8
101.02437	13.6
109.06582	1.2
111.08162	15.9
111.90868	0.8
113.02438	8.2
119.03493	4.1
125.02435	1.8
127.07632	1.1
129.60179	0.7
135.04478	1.2
137.09647	0.8
143.03464	1.5
151.11255	1.5
153.12842	1.0
161.04547	5.9
169.12347	4.4
179.05713	2.1
181.12349	1.1
197.11819	74.3
198.12099	1.9
199.13387	5.5
211.13397	9.6
227.12939	2.0
253.09283	51.8
254.09674	2.2
263.20163	7.4
265.17993	2.0
273.18680	1.5
287.18396	0.8
291.19666	28.4
292.19913	1.6
309.20697	100.0
310.21060	4.2
411.23770	1.1
444.59235	1.0
485.30783	1.7
535.49481	0.8
545.33734	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01718	2.1
60.57231	2.4
61.01818	2.7
61.98829	34.3
71.01381	15.1
71.32031	2.3
73.02966	11.2
74.83118	1.7
83.01379	3.2
85.02952	7.0
89.02435	5.4
90.44885	1.9
96.96017	2.5
98.19849	3.6
99.92577	12.9
101.02484	10.4
107.05033	1.9
113.02449	12.5
115.92068	17.5
116.92858	77.1
117.92871	3.5
118.98086	4.3
119.03540	2.4
133.01410	2.1
134.82677	2.1
135.04524	14.1
137.02480	10.1
137.06075	5.3
149.96588	1.7
151.04060	3.7
158.93890	2.3
161.04552	5.8
170.11923	2.3
177.01920	8.0
178.02704	11.0
179.03467	13.0
179.05533	2.1
181.05037	6.1
300.45267	2.9
316.09427	2.6
422.16006	2.1
459.07321	3.2
485.30991	17.1
501.08154	2.8
501.27335	2.9
503.32053	3.5
545.07251	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	545.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09741	0.2
53.88044	0.2
59.01379	100.0
60.01709	0.5
66.11301	0.2
69.36417	0.4
69.36828	1.1
71.01378	3.2
73.02942	2.6
73.48211	0.2
83.01395	1.0
85.02966	0.7
89.02447	3.4
95.01392	0.3
101.02444	4.9
113.02438	2.7
119.03488	1.8
131.03534	0.6
137.55559	0.2
143.03543	0.7
149.04518	0.8
149.61140	0.2
161.04556	2.0
179.05656	0.7
190.07472	0.3
232.08575	0.5
265.36429	0.2
382.17877	0.6
465.02676	0.2
485.27563	0.2
545.24493	0.4
564.24341	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01720	0.6
61.59191	0.3
61.98824	0.8
64.18929	0.3
69.21735	2.6
69.22135	0.7
71.01391	1.2
80.01228	0.3
89.02452	1.2
101.02459	0.6
113.02486	0.9
114.63474	0.3
115.98638	0.3
119.03562	0.6
161.04576	0.4
174.04440	0.4
184.07927	0.3
189.24474	0.4
208.79080	0.4
232.08586	0.5
382.18005	0.8
400.41544	0.4
425.25653	1.1
443.26572	1.1
485.27786	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50222	0.6
55.01866	1.2
55.86383	0.7
57.03429	2.2
58.00581	0.9
59.01379	48.6
60.01733	0.9
61.98828	39.3
69.03449	1.5
69.94827	3.4
71.01379	16.2
73.02945	4.0
74.06570	0.7
75.53229	0.6
81.03425	0.9
83.01382	2.1
85.02953	6.3
85.77642	0.7
87.00858	2.1
89.02448	10.4
90.77695	0.7
95.01348	1.2
97.02957	7.2
97.06556	1.0
99.00864	1.2
101.02438	13.9
103.15897	0.7
105.03413	1.8
111.08170	5.2
113.02447	7.9
119.03481	2.5
119.08690	1.1
125.02378	1.1
125.09745	1.2
133.01419	0.9
133.02988	1.6
133.03912	0.7
137.02487	0.7
137.09708	2.0
143.03514	1.4
147.84789	0.7
149.04558	0.8
153.12796	1.4
161.04570	8.0
163.11253	1.2
165.12860	4.7
167.10762	1.0
169.12340	2.7
171.10263	3.9
171.48096	0.7
174.39058	0.8
177.01929	2.3
179.05670	1.7
179.10747	0.7
181.12303	2.6
183.13905	1.2
184.01018	0.6
197.11821	26.1
199.13423	2.1
209.04562	3.7
209.11792	2.2
211.13324	5.1
227.12828	4.7
247.20679	3.3
253.09280	40.9
263.20071	1.6
273.18585	2.2
291.19641	41.7
292.19986	2.9
309.20691	100.0
310.20996	5.0
459.33572	0.8
485.31314	7.0
503.32053	1.3
511.54239	1.0
545.25201	1.2
545.33478	18.4
546.33496	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20016	1.7
59.01381	100.0
60.01714	3.0
61.98823	4.9
69.64646	4.1
69.65050	6.6
71.01385	27.9
71.44894	1.7
73.02948	23.8
73.76428	1.7
75.00885	1.9
83.01379	5.9
85.02934	6.2
89.02458	15.3
95.01385	3.2
101.02441	25.0
107.05028	1.7
109.02934	8.4
109.59663	1.7
113.02457	15.7
115.00330	3.0
119.03474	5.4
119.05048	2.0
131.03499	1.9
133.01424	3.9
134.03658	2.3
135.04532	14.0
137.06059	5.2
145.03058	2.1
149.04462	4.0
150.03233	2.0
155.03566	2.6
159.04506	3.4
159.08095	1.8
161.04549	9.7
173.05989	8.2
174.03192	2.3
175.07617	5.3
179.03510	3.5
179.05702	2.1
181.05069	10.9
187.03996	4.9
187.07553	7.8
201.05566	4.4
202.06369	16.2
203.07085	3.2
203.10844	3.0
213.09186	4.0
221.06619	3.1
231.10263	27.9
243.06528	2.2
244.22557	2.0
257.08145	3.9
275.09244	20.5
277.10806	2.3
284.16519	1.9
300.77933	1.9
321.11340	2.4
367.11786	3.0
395.14978	2.4
413.14420	2.1
439.13602	3.7
441.24826	4.2
457.15005	5.4
503.19272	2.1
534.01752	2.1
546.11932	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	545.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01718	2.1
60.57231	2.4
61.01818	2.7
61.98829	34.3
71.01381	15.1
71.32031	2.3
73.02966	11.2
74.83118	1.7
83.01379	3.2
85.02952	7.0
89.02435	5.4
90.44885	1.9
96.96017	2.5
98.19849	3.6
99.92577	12.9
101.02484	10.4
107.05033	1.9
113.02449	12.5
115.92068	17.5
116.92858	77.1
117.92871	3.5
118.98086	4.3
119.03540	2.4
133.01410	2.1
134.82677	2.1
135.04524	14.1
137.02480	10.1
137.06075	5.3
149.96588	1.7
151.04060	3.7
158.93890	2.3
161.04552	5.8
170.11923	2.3
177.01920	8.0
178.02704	11.0
179.03467	13.0
179.05533	2.1
181.05037	6.1
300.45267	2.9
316.09427	2.6
422.16006	2.1
459.07321	3.2
485.30991	17.1
501.08154	2.8
501.27335	2.9
503.32053	3.5
545.07251	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	545.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01708	3.3
67.90190	2.9
69.23949	23.6
71.01385	30.9
73.02940	38.2
83.01371	11.9
85.02937	7.5
89.02437	6.9
97.06565	3.0
98.19933	5.3
99.00908	2.8
101.02450	30.1
113.02439	12.6
117.03458	6.8
119.05032	5.0
125.02451	3.1
125.88239	2.6
132.77043	2.6
133.01483	4.4
133.02925	3.6
134.75967	2.6
135.04530	6.9
137.02460	3.4
145.02917	25.9
145.07756	3.4
149.04642	4.8
160.01619	7.7
161.04483	6.6
175.03970	9.9
179.23338	3.4
181.05058	7.2
203.10709	4.5
231.10179	3.2
255.02866	9.5
271.02481	16.0
300.02676	18.4
309.56274	2.9
323.09155	5.1
457.14734	4.0
458.11246	7.0
473.12396	5.9
485.29956	6.3
503.19476	6.5
546.13501	7.3
551.07935	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	545.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	2.6
59.01377	100.0
60.48676	1.9
69.03481	3.1
70.02467	4.5
70.02872	7.0
71.01382	31.3
72.99283	2.5
73.02947	23.0
77.15128	2.0
83.01382	11.2
85.02953	10.9
89.02431	12.5
98.19996	4.1
99.00871	3.7
101.02446	28.3
111.00922	2.4
113.02439	15.8
116.92875	2.6
119.03497	3.0
123.50957	2.7
135.04520	5.3
145.02884	2.6
160.01955	2.1
161.04546	7.6
173.08684	2.3
177.01978	3.2
179.03583	3.3
201.03580	2.1
202.11539	2.2
267.06418	3.6
270.51913	2.2
277.71918	2.3
280.07364	4.4
282.08954	3.8
283.09677	3.6
293.08069	4.6
295.09735	9.0
309.11307	2.6
311.09229	4.5
312.09903	2.9
314.07913	3.8
325.10904	3.0
326.11600	18.5
327.12457	11.5
340.08765	2.9
341.13916	17.6
355.11835	8.1
369.13470	3.7
441.24612	3.5
455.13382	4.2
470.15881	10.5
473.14532	8.2
485.11200	3.9
485.18137	71.3
486.18423	7.2
488.16919	9.4
503.19244	92.0
504.19473	6.8
545.20148	28.4
545.76599	2.8
546.20160	3.0
568.61389	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	545.224
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
59.92077	3.1
61.56440	3.1
61.98815	5.6
69.54187	18.3
71.01389	33.7
73.02601	4.6
73.02950	40.5
83.01387	13.1
85.02946	5.2
89.02433	7.6
96.95998	3.5
99.92535	3.7
101.02440	36.2
113.02431	11.9
115.00336	4.7
116.92828	4.2
121.02961	4.1
126.90387	3.1
133.01419	4.2
135.04517	12.6
137.02402	5.3
137.06068	5.0
143.03520	3.9
146.20802	3.4
159.04494	5.7
161.04549	6.7
177.01880	11.4
179.03413	5.5
181.05148	5.9
221.08139	7.4
229.78458	3.3
236.34407	3.4
311.09149	11.6
323.09171	31.9
342.10059	4.1
342.37012	4.6
410.00116	3.6
452.37143	3.7
485.18277	8.8
506.14841	4.0
537.28558	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	545.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	15.9
60.01721	0.6
61.98830	100.0
69.40452	0.5
69.40859	1.7
71.01395	1.5
73.02951	0.5
85.02976	0.6
94.40941	0.3
101.02450	1.3
113.02486	0.7
114.19627	0.3
122.74020	0.3
142.93033	0.3
143.95828	0.3
145.55159	0.3
161.04524	0.7
230.79994	0.3
261.21637	0.3
317.17148	0.4
318.17590	0.4
319.17285	0.3
485.24368	0.6
485.30835	2.4
542.35004	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91377	1.8
59.01378	100.0
60.01696	4.7
61.82790	1.9
69.03484	1.8
69.84139	8.8
71.01376	26.4
72.25690	1.9
73.02945	26.7
83.01379	9.9
85.02936	5.2
89.02429	8.8
95.01389	2.9
96.96014	2.0
97.57961	1.9
98.19910	2.2
101.02464	21.9
109.02969	4.2
113.02444	10.5
117.03422	2.6
119.03487	3.5
121.02934	5.4
133.02971	3.6
135.04482	7.8
137.02434	5.6
143.03471	3.4
145.02966	3.0
149.02382	3.7
149.04510	2.8
151.03912	3.0
161.04550	4.8
176.04735	2.5
177.01955	20.4
178.02328	1.7
179.03485	7.4
181.05046	5.3
181.08325	2.2
187.04063	3.1
231.10204	4.9
251.06996	3.2
252.07748	4.4
265.08661	2.7
267.06604	3.1
267.10117	2.3
275.09225	4.0
279.06531	5.3
282.09116	2.9
293.08118	4.9
294.08905	2.2
295.09729	4.5
303.51144	2.1
311.09393	14.9
312.09659	2.7
314.07770	2.5
323.09100	15.0
326.11624	3.8
327.12357	6.8
341.10199	9.9
341.13910	5.1
349.31326	2.2
353.10294	2.7
355.11694	3.0
381.12985	2.3
383.11310	33.4
384.11441	3.1
470.15802	3.8
485.12216	2.5
485.18283	29.4
485.28854	4.3
488.16388	5.0
503.19220	35.6
504.19363	3.2
514.69885	2.1
545.20587	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	544.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.3
59.01381	9.9
60.01729	0.5
61.98829	100.0
70.80258	0.5
70.80597	0.4
71.01380	2.2
73.02943	0.8
80.24974	0.2
85.02953	0.7
89.02459	0.8
91.26366	0.3
95.01321	0.3
101.02461	1.1
113.02467	0.9
133.01436	0.3
135.04536	0.8
148.56738	0.3
272.53836	0.3
357.48956	0.3
484.29636	1.1
502.31000	0.3
503.25262	0.3
544.31848	0.4
545.25397	0.4
545.33319	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	9.0
61.98832	100.0
70.79781	8.8
79.54396	2.9
113.73350	2.9
121.80896	3.9
122.77734	3.1
169.12346	5.2
229.96010	2.9
234.98566	2.7
303.20569	3.0
455.97293	3.0
526.76178	3.6
544.39539	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	543.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.7
57.03447	1.4
59.01378	100.0
60.01713	0.5
60.35387	0.5
60.58651	0.4
61.98819	2.1
62.95128	0.5
69.86757	0.4
70.49095	0.4
70.84632	0.6
70.84983	0.9
71.01380	13.9
73.02947	3.3
74.33772	0.4
83.01397	2.4
85.02954	6.2
87.00880	1.0
87.04535	0.9
89.02438	7.6
95.01399	1.7
96.96017	0.6
97.02987	0.9
99.00887	1.2
101.02443	8.8
108.11107	0.4
113.02442	13.4
115.00418	0.6
119.03512	3.8
125.02415	0.6
129.84822	0.4
131.03531	0.6
133.02998	0.4
135.04547	1.0
143.03516	1.3
161.04532	4.7
166.60866	0.4
179.05646	1.8
233.15834	0.4
251.20125	0.4
253.09348	0.6
283.89926	0.4
289.18054	2.5
339.25485	0.6
395.24112	2.4
407.24371	2.3
409.22501	0.6
413.25644	0.6
425.25583	0.7
429.86780	0.5
465.29190	0.9
470.94128	0.5
483.29630	11.5
484.30374	0.8
501.30603	4.1
501.37268	0.4
502.30682	0.5
543.31671	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29572	0.1
50.39221	0.1
50.98606	0.1
55.01873	0.6
57.03444	0.5
59.01379	100.0
60.01720	0.6
61.98830	0.5
65.31411	0.1
69.45664	1.0
71.01382	7.1
72.99316	0.3
73.02948	2.2
75.00912	0.2
82.56353	0.2
83.01395	2.0
85.02950	4.5
85.06596	0.3
87.00899	0.4
89.02446	2.4
95.01399	0.9
95.12500	0.1
97.02984	0.3
99.00890	1.1
101.02447	4.8
101.03106	0.3
105.83048	0.2
111.00928	0.2
113.02452	5.9
115.00388	0.3
119.03510	0.7
125.02487	0.4
130.08769	0.2
133.01460	0.4
134.01826	0.1
143.03479	1.0
149.04495	0.2
159.03020	0.4
161.04565	2.9
161.05887	0.2
179.03503	0.3
179.05672	0.4
207.13974	0.2
229.08763	0.3
260.70557	0.2
365.03607	0.1
383.17062	0.1
390.12244	0.2
447.27496	1.1
453.28696	0.3
465.28503	1.5
466.28784	0.2
483.29617	7.5
484.29807	0.7
499.25885	0.3
501.30768	4.3
501.38269	0.2
502.31070	0.3
543.32336	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.8
57.03442	0.9
57.10370	0.2
58.00581	0.5
59.01377	100.0
60.01696	0.6
69.03427	0.3
71.01380	13.7
71.37733	0.3
71.52168	0.4
72.99313	0.6
73.02943	7.9
75.00876	0.3
83.01393	4.2
85.02945	5.5
87.00890	0.8
89.02438	6.1
89.02935	0.4
93.62104	0.2
95.01379	1.6
96.96075	0.3
97.02942	0.6
99.00891	1.1
101.02438	9.1
101.06081	0.4
113.02447	9.1
119.03528	1.9
125.02448	0.6
130.08778	0.4
131.03493	0.4
133.01350	0.5
135.04562	0.5
137.02486	0.3
143.03497	2.7
143.18964	0.2
149.04584	0.5
149.06067	0.3
159.02954	0.4
161.04544	4.2
174.03253	0.3
179.03406	0.3
179.10951	0.2
229.08699	0.9
284.12592	0.3
339.25497	0.6
409.26028	0.3
429.73706	0.3
435.27527	0.3
453.28751	0.7
465.28745	1.0
483.29626	13.7
484.30334	0.9
501.30701	5.0
502.31104	0.5
543.31653	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.7
57.03440	0.7
58.00610	0.5
59.01378	100.0
60.01725	0.6
61.98826	0.8
69.03458	0.4
69.95189	0.8
71.01379	11.9
71.05041	0.4
72.99327	0.3
73.02941	2.8
83.01379	2.2
83.71124	0.3
85.02954	6.8
85.03471	0.5
86.00150	0.3
87.00896	0.8
88.59046	0.3
89.02453	3.5
95.01376	2.1
97.02961	0.5
97.94152	0.3
99.00897	1.4
99.04537	1.0
101.02436	6.4
101.06068	1.6
103.57659	0.3
111.00887	0.5
112.01701	0.3
113.02450	11.6
114.02722	0.3
119.03515	1.3
125.02481	0.9
143.03534	1.7
161.04558	2.2
193.16116	0.4
194.81586	0.3
229.08740	0.5
295.22842	1.2
309.09824	0.3
339.25345	2.6
435.27585	0.8
453.28522	0.5
483.29614	33.3
484.29874	2.4
501.30637	11.4
502.31192	0.8
543.31787	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71487	0.3
55.01877	0.4
55.35872	0.3
57.03465	0.5
59.01378	100.0
60.01710	1.0
61.98825	0.6
69.03459	0.4
71.01384	6.1
71.51689	0.3
72.99296	0.3
73.02948	3.6
75.49020	0.3
83.01394	1.8
85.02952	2.8
87.00906	0.5
87.04512	0.3
89.02436	2.3
95.01391	0.6
99.00897	0.5
101.02439	5.4
103.74455	0.3
107.72562	0.3
113.02446	4.3
115.92059	1.9
116.92850	0.6
119.03503	1.0
125.02450	0.5
131.03551	0.4
135.04529	0.6
143.03532	0.7
148.14755	0.3
149.04549	0.4
150.66853	0.3
161.04547	2.4
163.72055	0.3
179.05563	0.4
191.10808	0.3
205.29811	0.3
317.63086	0.3
339.25302	0.4
395.24625	1.0
407.24612	1.3
425.25674	0.9
457.42383	0.3
465.28452	1.4
483.29623	7.3
483.35934	0.5
484.30276	0.4
499.33069	0.6
501.30600	2.3
507.17096	0.5
543.19006	0.5
543.31348	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.1
55.96311	0.5
57.03439	0.8
57.64279	0.5
59.01380	100.0
60.01723	0.6
61.98843	2.2
69.45451	0.5
69.63052	0.6
71.01379	11.5
73.02959	4.6
73.23536	0.5
76.02151	0.6
79.47557	0.5
83.01402	1.4
85.02956	5.4
87.28368	0.6
89.02458	3.1
95.01418	0.8
99.00904	1.1
101.02441	10.1
101.03008	0.7
111.00938	0.7
113.02467	5.7
116.92889	1.9
119.03524	0.7
125.89709	0.6
149.90652	0.5
159.03027	1.5
161.04543	7.2
174.65251	0.6
179.05533	0.8
186.79880	0.6
232.78412	0.6
295.48199	0.5
474.17130	0.6
483.29620	34.3
484.30072	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	543.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.6
57.03449	1.1
58.00591	0.3
59.01378	100.0
60.01718	0.5
61.98846	0.1
69.03460	0.4
69.32881	0.8
69.33287	0.3
71.01380	13.3
72.99326	0.4
73.02947	2.2
75.00867	0.2
83.01387	2.8
85.02950	6.6
86.00146	0.2
87.00865	1.2
87.04504	1.5
87.04900	0.1
89.02439	8.8
95.01388	2.2
97.02976	0.5
99.00861	1.2
101.02440	7.2
111.00906	0.2
112.01677	0.3
113.02448	19.9
114.02791	0.2
115.03978	0.2
119.03489	3.8
123.08175	0.3
125.02453	0.6
129.84969	0.2
131.03508	0.5
143.03502	2.6
143.44649	0.2
149.04596	0.3
159.03030	0.4
161.04544	5.4
179.05603	2.4
221.19119	0.5
233.19177	0.3
251.20235	0.6
301.73361	0.2
337.17365	0.2
339.25507	0.6
365.22900	0.2
395.24374	3.6
396.24698	0.2
407.24335	3.4
413.25583	0.5
425.25720	0.8
435.27621	0.3
447.27594	0.5
465.28424	1.3
483.29611	10.6
484.30161	0.9
486.60947	0.2
501.30710	6.0
502.30988	0.5
543.32001	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93509	1.2
57.03452	3.0
59.01381	100.0
60.01723	2.5
61.98828	5.9
69.32790	2.4
69.33199	8.4
71.01382	19.4
71.56825	1.1
72.11974	1.6
73.02948	9.8
83.01382	3.6
85.02958	5.5
87.00893	1.6
89.02433	11.1
99.00887	1.2
101.02455	13.4
103.12302	1.0
113.02461	10.8
119.03507	3.7
135.04514	1.9
143.03493	1.8
161.04550	3.6
175.50974	1.3
179.05603	1.8
221.10146	1.2
230.24236	1.2
251.92418	1.1
295.19266	2.0
395.32791	1.4
457.24329	3.1
483.29639	9.6
486.00278	1.2
499.25571	29.2
500.25452	1.9
501.30429	4.2
543.31512	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	543.281
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10373	0.4
55.55032	0.3
57.06171	0.3
59.01379	100.0
59.72375	0.4
60.01703	0.7
69.03447	0.5
69.87070	1.2
69.87477	0.7
70.89766	0.4
71.01382	6.3
73.02934	3.3
83.01389	1.0
85.02944	2.5
87.00848	0.4
87.04498	0.5
89.02441	2.1
95.01346	0.4
97.35125	0.4
98.20617	0.4
99.00892	0.7
101.02438	6.4
101.36414	0.3
103.30904	0.3
113.02439	4.1
115.92052	1.7
119.03513	1.2
135.04523	0.8
143.03476	0.5
149.04596	0.6
161.04523	2.4
179.85835	0.4
192.12389	0.5
221.06635	0.4
318.17529	0.5
395.24576	0.6
407.24194	0.6
465.28537	1.0
483.29791	5.4
499.32889	0.5
501.30835	1.5
543.19196	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	4.0
60.99305	15.7
71.01388	0.6
73.02928	0.5
87.00871	0.8
88.00398	0.8
88.98805	100.0
89.02442	5.5
89.99180	0.5
92.27855	0.4
96.96027	0.8
98.19931	1.5
113.02451	0.5
115.00390	0.7
133.01436	0.7
135.04585	0.5
137.02457	0.4
150.03267	0.5
179.03519	0.4
208.49721	0.4
222.11244	0.5
466.73920	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97560	1.5
59.01380	100.0
59.85169	0.3
60.01719	0.5
71.01379	4.4
71.52594	0.5
73.02946	1.5
75.00900	0.4
83.01406	0.3
83.06145	2.7
85.02983	1.7
89.02462	1.2
93.68307	0.3
99.00894	0.5
101.02457	2.3
113.02431	2.0
119.03508	0.6
159.02979	0.4
161.01843	0.6
161.04576	2.4
170.03951	2.0
198.93459	0.4
204.02461	0.9
247.07829	3.7
317.17163	18.4
318.17532	0.8
397.14420	1.4
477.50980	0.4
482.19904	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3014
Annotation	Tricalysioside R
Peak:m/z	Relative Intensity
55.01886	0.8
57.03447	1.0
58.00594	0.6
59.01379	100.0
60.01711	0.5
60.71209	0.4
61.98840	0.8
62.36250	0.4
69.53684	2.3
71.01383	23.2
72.99328	1.1
73.02950	4.9
83.01387	2.5
85.02951	6.8
87.00884	1.4
87.04537	0.4
89.02442	19.7
95.01387	2.6
95.12129	0.4
96.96018	0.4
97.06623	0.5
99.00890	1.2
101.02440	14.5
113.02448	18.6
119.03497	8.7
125.02452	0.6
131.03523	1.5
131.31241	0.3
135.11771	0.3
141.09235	0.8
143.03511	2.1
147.11861	0.5
149.04584	0.8
161.04532	4.1
179.05618	4.2
268.27271	0.4
301.21735	0.5
319.23001	0.6
451.27051	0.8
463.27243	2.5
469.27628	0.4
481.28058	7.6
482.29062	0.5
497.31644	0.6
499.29019	2.2
505.26190	0.3
541.30164	2.6
542.31079	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.302
Annotation	Tricalysioside R
Peak:m/z	Relative Intensity
51.23974	0.3
55.01872	0.6
57.03450	0.8
58.00603	0.3
59.01379	100.0
59.32859	0.3
60.01705	1.0
60.87537	0.3
61.98828	0.7
69.46473	2.2
71.01381	10.9
72.99325	1.0
73.02943	2.9
79.95759	0.6
83.00945	0.4
83.01366	1.7
85.02956	5.0
87.00878	0.5
89.02437	4.5
89.02932	0.3
95.01389	1.4
95.95270	0.5
96.34520	0.3
96.96010	13.9
97.02936	0.3
99.00908	0.7
99.04550	0.8
101.02438	6.3
111.00861	0.5
113.02448	8.4
115.00393	0.4
119.03531	1.6
125.02451	0.5
131.03548	0.3
133.01483	0.5
134.49043	0.3
135.04547	0.8
143.03490	0.6
159.03044	0.6
160.51259	0.3
161.04556	2.2
179.03493	0.4
179.05624	0.8
196.67766	0.3
271.05975	0.4
271.16617	0.3
273.11066	0.3
293.04318	0.4
311.05554	0.5
315.05179	0.6
316.05972	0.8
337.23999	1.7
423.24069	1.0
451.27356	0.4
455.19446	2.6
481.28076	12.0
482.28580	0.9
497.20474	6.3
499.29126	8.4
500.29276	0.7
523.18475	0.3
541.11011	0.3
541.19885	0.8
541.30365	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	541.3021
Annotation	Simplexin F
Peak:m/z	Relative Intensity
55.01656	0.2
55.01879	1.3
57.03442	1.0
58.00599	0.3
59.01378	100.0
60.01711	0.6
61.98856	0.3
69.03464	0.3
70.14813	0.5
70.15208	0.4
71.01379	11.1
71.05047	0.3
72.99323	0.6
73.02949	3.1
73.69777	0.2
83.01389	2.7
83.76810	0.2
85.02950	6.0
86.00146	0.2
87.00880	0.9
89.02444	3.4
95.01377	1.2
96.96036	0.3
97.02972	0.7
99.00881	1.3
99.04509	2.3
100.05338	0.5
101.02438	6.8
111.00915	0.6
113.02450	6.5
113.03251	0.2
115.04053	0.3
119.03531	1.1
125.02497	0.6
125.36007	0.2
131.03525	0.2
135.04539	0.4
143.03537	0.9
158.99184	0.2
159.03017	0.5
161.04555	1.7
177.01945	0.3
179.03676	0.2
179.05603	0.3
193.16010	0.6
219.17375	0.2
221.00917	0.2
235.16890	0.2
237.18695	0.7
293.21356	0.6
316.05942	0.3
337.23746	1.4
357.46161	0.2
381.23526	0.2
433.26044	0.3
481.28046	21.8
482.28564	1.5
497.11115	0.2
497.24149	0.3
499.29120	15.9
500.23080	0.2
500.29285	1.2
541.30170	2.7
542.30420	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3019
Annotation	Tricalysioside R
Peak:m/z	Relative Intensity
54.87931	0.4
55.01874	0.7
57.03440	1.0
58.00591	0.7
59.01381	100.0
60.01706	1.0
64.61081	0.5
68.83675	0.4
70.02709	1.6
71.01382	18.5
72.70455	0.4
72.99329	1.0
73.02942	8.0
75.00912	0.6
83.01373	2.5
85.02952	5.2
87.00912	0.9
89.02446	11.4
90.89435	0.4
95.01405	1.6
99.00900	0.8
101.02452	10.1
101.06081	0.8
113.02454	12.3
116.48929	0.4
119.03521	4.6
119.64850	0.4
131.03514	0.9
133.01501	0.6
143.03513	1.1
149.04686	0.6
161.04544	4.6
177.01964	1.5
179.05714	1.3
197.35727	0.5
220.00270	0.8
221.00989	1.8
235.17050	0.5
316.06122	1.0
337.23792	2.1
363.23212	0.5
364.24295	0.4
440.21881	0.5
481.28165	8.9
497.23941	11.9
498.24689	1.4
499.28928	2.8
541.29285	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	541.302
Annotation	Tricalysioside R
Peak:m/z	Relative Intensity
51.85954	0.3
55.01881	0.5
57.03445	1.3
59.01379	100.0
60.01715	0.5
61.98830	0.7
70.97695	0.5
70.98026	0.5
71.01382	10.9
72.99317	0.4
73.02944	3.3
83.01382	2.1
83.05058	0.6
85.02950	5.7
87.00887	1.0
89.02446	4.0
95.01398	1.1
96.96003	0.5
97.02995	0.4
98.95636	0.9
99.00884	1.3
101.02432	5.6
101.06100	0.4
105.21117	0.3
111.00862	0.4
113.02451	8.4
114.53512	0.3
119.03530	1.1
125.02467	0.4
133.01476	0.4
135.04562	0.4
143.03572	0.8
161.04596	2.0
161.05789	0.3
165.12794	0.3
167.35527	0.3
177.01952	0.9
220.00150	0.7
221.00969	1.3
229.96780	0.3
231.17455	0.4
248.51273	0.3
249.18848	0.5
319.22876	0.5
329.09158	0.4
337.23764	1.6
379.23862	0.4
445.26163	0.7
451.27448	0.6
463.26935	1.5
481.28064	18.7
482.28735	1.4
497.19012	0.8
499.29141	8.2
500.29721	0.6
541.19891	0.4
541.29041	4.1
542.30786	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3018
Annotation	Tricalysioside R
Peak:m/z	Relative Intensity
53.34595	0.5
53.78648	0.5
55.01881	1.0
57.03436	1.3
59.01379	100.0
59.22562	0.5
60.01717	0.7
61.98841	0.9
62.38978	0.5
69.35433	3.7
71.01382	13.4
73.02949	6.7
83.01392	2.9
85.02958	5.8
87.00904	0.8
89.02445	5.9
95.01389	1.3
99.00878	2.4
101.02447	11.8
101.03101	0.7
103.37495	0.5
111.00857	0.7
113.02455	6.5
119.03519	2.4
143.03545	1.1
159.03030	1.1
161.04541	6.4
177.01892	0.6
179.05666	1.0
201.05690	0.9
319.22980	1.5
337.24106	1.1
481.28040	37.9
482.28345	3.3
499.29257	2.5
513.37256	0.7
534.22791	0.6
541.30219	11.8
542.30957	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3017
Annotation	Simplexin F
Peak:m/z	Relative Intensity
55.01873	0.5
57.03455	0.8
58.00592	0.3
59.01379	100.0
60.01710	0.5
60.30029	0.1
61.98853	0.3
68.99812	0.2
69.03469	0.3
70.72441	0.1
71.01383	10.5
71.52247	0.3
72.99328	0.5
73.02946	2.7
74.98927	0.1
80.49937	0.2
83.01382	2.4
85.02947	5.5
86.50974	0.1
87.00888	1.2
87.04518	1.6
89.02442	5.1
95.01389	1.6
97.02961	0.3
99.00870	1.2
101.02444	6.1
101.03105	0.3
106.75365	0.1
109.03062	0.1
111.00922	0.4
113.02448	9.6
114.02818	0.2
115.00388	0.2
115.04022	0.2
119.03502	2.2
121.06607	0.6
125.02471	0.5
129.01968	0.2
131.03531	0.4
133.01471	0.3
133.03014	0.2
135.04497	0.4
143.03503	1.3
149.04602	0.4
159.02957	0.3
161.04553	2.3
177.02019	0.4
179.05605	0.8
190.54257	0.2
219.17696	0.3
220.00272	0.3
221.00978	0.5
224.41100	0.2
231.17589	0.2
249.18660	0.5
301.21835	0.2
319.22815	0.3
337.24100	0.6
350.04330	0.2
353.95276	0.1
393.22830	2.3
394.23352	0.2
405.22821	3.3
411.24136	0.5
423.23886	1.7
433.26303	0.2
441.25201	0.2
445.26328	0.5
463.26996	2.7
481.28046	10.5
482.28775	0.6
497.24023	0.2
499.29153	5.5
500.29791	0.4
541.30444	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76674	0.1
55.01880	0.4
55.25618	0.1
57.03445	0.4
58.00587	0.5
59.01378	16.8
61.98822	0.5
67.05544	0.1
69.03452	0.3
71.01380	8.8
71.23108	0.2
72.92539	0.1
72.99314	0.4
73.02943	1.2
74.11504	0.1
78.95895	0.2
81.03483	0.2
83.01389	0.9
83.05014	0.4
85.02949	2.4
87.00873	1.1
89.02443	7.4
91.04015	0.4
95.01388	0.7
97.02951	0.4
99.00873	0.4
101.02442	8.0
110.20827	0.1
113.02444	3.8
115.03996	0.1
119.03498	2.3
125.02470	0.3
127.11311	0.2
131.03535	0.3
133.05022	0.2
135.08060	0.1
143.03519	0.6
145.05089	0.1
152.99557	0.2
161.04549	3.3
163.61938	0.1
166.49046	0.1
177.09207	0.2
179.05606	1.3
187.06129	0.1
200.26994	0.1
205.15715	0.1
205.19611	1.4
217.19522	0.1
231.21216	0.4
235.08263	0.9
235.25493	0.1
253.09274	26.6
254.09619	0.6
255.23245	1.2
257.22769	0.3
259.24280	7.7
260.24582	0.1
273.22260	0.2
285.22272	0.9
303.23276	100.0
304.23627	5.4
304.70322	0.1
480.30994	0.7
544.54333	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2861
Annotation	Phoenistatin
Peak:m/z	Relative Intensity
50.46835	0.4
55.01874	1.7
57.03447	4.0
59.01379	100.0
60.01706	0.5
61.98840	0.8
66.39482	0.4
69.03474	0.6
69.35847	2.8
71.01382	15.0
72.99326	0.8
73.02947	5.3
77.21818	0.4
78.91898	0.4
79.24570	0.4
83.01393	3.7
84.76163	0.4
85.02947	8.1
86.00107	0.5
87.00883	1.7
89.02454	4.1
95.01407	1.1
96.29549	0.5
97.02973	1.0
99.00871	2.0
99.04509	2.6
101.02439	10.3
111.00885	0.6
113.02455	7.6
119.03477	1.4
125.02441	0.6
133.76852	0.4
135.04514	0.6
143.03482	1.0
159.03029	0.8
161.04553	1.6
165.12860	0.7
178.22856	0.4
179.05588	0.6
185.04179	0.4
265.18100	2.3
277.17957	1.1
291.23303	1.2
304.28696	0.4
305.44064	0.4
317.21271	0.8
335.22296	7.7
379.20834	0.7
389.43344	0.4
409.22336	0.9
427.23227	1.0
431.24335	0.5
479.26489	21.7
480.27005	1.8
497.27563	36.5
498.27942	2.6
517.31262	0.5
539.28589	57.9
540.28906	4.8
544.48352	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22831	0.8
59.01102	1.4
59.01375	13.1
61.98825	6.7
70.99818	1.1
71.00166	1.1
71.01403	6.5
73.02966	1.5
78.95953	0.9
85.02965	1.4
87.24679	0.7
89.02431	5.5
95.01334	1.0
101.02425	5.6
113.02438	1.9
119.03497	1.4
125.06265	0.8
136.06186	1.0
161.04529	2.3
253.09286	18.9
255.23274	2.2
259.24402	5.6
286.17014	1.1
303.23282	100.0
304.23624	5.6
353.88388	0.9
375.43210	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57569	1.2
59.01111	1.9
59.01382	27.9
61.98829	48.3
69.03448	1.3
69.72032	4.7
69.72440	2.7
71.01376	9.0
73.02946	10.8
75.00816	1.3
79.00266	1.4
83.01386	1.9
85.02934	1.7
86.00025	1.4
89.02421	1.4
101.02469	7.3
108.32722	1.3
113.02453	2.4
119.24194	1.3
135.04538	1.3
172.82472	1.8
174.34254	1.4
229.15938	2.4
234.19507	1.3
247.17010	48.8
248.17580	1.5
261.18521	2.8
291.16010	100.0
292.16415	4.5
315.15936	3.6
317.21045	2.3
333.17035	5.7
335.22345	1.2
347.93234	1.5
355.02643	1.5
495.22290	7.8
539.28278	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	538.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	6.6
60.01717	0.3
61.98829	100.0
67.67309	0.4
69.58493	0.8
69.58909	0.7
70.30197	0.3
71.01376	2.2
73.02953	0.9
83.01389	0.3
83.04999	0.3
85.02956	0.5
87.00892	0.6
87.93421	0.3
89.02457	0.7
95.53989	0.2
101.02473	0.9
105.58765	0.3
110.00480	0.3
113.02492	0.7
115.00359	0.4
132.22058	0.3
135.04514	0.6
137.02513	0.3
146.66850	0.3
153.09073	0.3
161.21454	0.2
285.72656	0.3
309.78583	0.3
316.16464	0.3
322.06137	0.3
479.26706	0.4
538.27704	0.9
539.28186	1.4
546.75977	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
58.72109	3.5
61.98536	6.4
61.98830	100.0
78.95905	6.8
80.96481	4.5
90.68678	4.1
95.18999	3.3
113.52865	4.3
150.42308	3.6
229.41170	4.8
268.19962	6.2
285.20828	5.1
288.38599	3.7
292.50787	4.0
327.26907	10.2
397.30954	11.4
413.34195	6.4
448.15298	4.6
450.92838	3.6
475.34256	66.7
476.34387	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	539.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08826	1.3
59.01382	31.8
59.87894	1.0
61.98822	2.5
66.53482	1.2
70.77744	3.0
71.01381	8.8
72.62239	1.2
73.02958	8.0
82.09740	1.2
83.01379	3.1
89.02415	2.2
95.04946	1.3
99.00988	1.3
101.02454	8.1
107.52828	1.2
113.02437	3.0
119.03487	1.4
135.04471	3.1
141.83281	1.1
161.04541	1.4
172.45673	1.3
229.15932	3.5
241.49760	1.3
247.17087	7.8
291.16010	100.0
292.16351	4.8
305.17618	1.7
317.21375	5.7
333.17178	6.4
335.21875	1.6
479.26407	1.6
495.22256	4.4
495.28870	1.4
539.28369	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	537.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.2
61.98837	0.3
71.01404	0.3
71.83126	0.3
84.23104	0.3
93.03446	0.6
96.96063	0.3
98.20689	0.8
106.04231	0.4
111.71351	0.3
117.03459	0.5
121.02978	1.1
125.55063	0.3
132.02257	0.3
133.02962	1.8
134.03741	48.3
135.04155	1.0
137.02448	8.0
139.04008	3.0
149.06081	16.2
150.03233	0.7
150.06429	0.4
160.01653	1.5
165.02034	0.4
175.03952	1.4
178.02708	30.1
179.03047	0.7
193.05049	100.0
194.05350	2.4
260.23935	0.3
274.20969	0.4
292.27753	0.3
445.25940	0.4
537.30615	15.4
538.30927	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92877	0.4
57.03453	0.8
58.00594	0.4
59.01379	17.7
61.98811	1.8
66.92936	0.4
71.01385	7.5
71.52338	0.5
72.99297	0.6
73.02937	1.4
75.18251	0.5
81.03457	0.4
81.40227	0.5
83.01391	1.0
83.05012	0.6
85.02943	2.2
87.00874	1.2
89.02441	8.7
91.03993	0.5
93.36195	0.4
95.01396	0.6
101.02441	7.6
113.02452	3.9
119.03478	1.9
123.34492	0.5
125.02399	0.5
133.05035	0.5
143.03450	0.7
147.25688	0.4
149.13287	0.5
158.71111	0.4
161.04535	2.8
163.15010	0.4
179.05638	1.4
202.35034	0.4
203.18007	2.8
235.08167	0.6
253.09273	27.8
254.09737	1.0
257.22726	13.1
258.22992	0.8
278.75659	0.5
283.20654	1.5
297.71481	0.4
301.21710	100.0
302.22089	5.1
391.24057	0.5
524.12915	0.6
537.33881	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69373	0.5
59.01382	43.7
61.98838	5.5
69.45341	3.3
69.45754	0.9
71.01386	6.0
72.99310	0.9
73.02951	3.2
73.24238	0.6
81.44160	0.5
83.01400	1.0
83.05048	0.7
85.02944	2.3
85.06557	0.7
86.47002	0.6
87.00867	3.4
89.02448	1.9
96.96045	0.7
98.20594	1.2
101.02458	3.8
113.02462	2.8
115.00378	1.3
118.89994	0.6
119.03477	1.0
127.11283	1.2
135.04539	1.0
161.04532	1.2
177.02080	0.6
201.05791	0.6
214.06348	1.3
229.08562	0.8
283.13409	0.6
297.24304	1.9
313.23831	2.4
315.25385	100.0
316.20148	0.6
316.25714	5.0
329.26987	1.7
333.20740	12.5
357.26465	1.9
371.14996	0.8
375.28912	2.5
389.15930	1.1
519.29150	0.7
537.26465	3.2
537.34302	7.8
538.26831	0.6
538.34827	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.7
67.99814	0.5
69.71504	2.7
71.01400	1.0
75.00864	1.1
76.64301	0.4
80.31119	0.4
87.92705	0.4
96.96007	0.7
98.26196	0.5
108.02169	0.9
109.02954	20.1
109.03692	1.1
113.02505	0.4
121.02943	1.8
122.03745	0.6
123.00906	0.5
123.04527	0.5
135.04630	0.6
136.01657	21.1
137.02419	1.1
138.14992	0.5
145.02979	1.5
146.03816	0.5
147.04536	0.6
151.04007	26.9
152.04381	0.7
158.03751	0.7
159.04518	1.1
160.05280	1.6
161.06059	0.6
163.03973	0.8
175.07622	1.6
177.05559	0.8
178.06291	0.8
193.08678	0.6
222.82193	0.5
223.07661	0.6
239.07158	3.7
249.05650	0.9
250.06311	1.8
266.05853	0.7
267.06607	45.1
268.06909	2.4
282.08963	45.5
283.09232	2.3
297.11304	100.0
298.11691	5.3
315.12384	6.2
338.70767	0.6
342.11295	0.6
345.13403	48.0
346.13696	3.3
355.39749	0.5
357.13434	12.4
358.13672	0.9
366.02759	0.6
375.14429	6.4
537.22394	1.4
542.14905	0.5
552.35724	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36167	0.7
52.61514	0.8
59.01373	1.8
71.01371	2.1
78.95872	0.8
89.91862	0.7
92.81155	0.8
93.03431	1.6
96.96004	1.7
97.53387	0.7
98.20752	1.7
101.64857	0.7
103.24732	0.6
109.02950	13.3
121.02941	6.3
122.03725	2.4
123.04494	1.4
125.02453	1.0
133.01379	0.9
135.04518	1.8
136.01653	10.7
137.02415	1.1
145.02975	1.7
146.03723	4.0
147.04494	1.9
149.02435	25.9
150.03236	15.7
151.04018	13.3
151.05121	0.7
158.03824	0.8
159.04475	0.8
160.05289	1.1
161.02499	1.4
161.06099	2.6
164.04811	6.1
165.05563	20.2
167.94603	0.7
171.04463	0.8
172.05338	2.0
175.03957	4.2
176.04765	4.4
177.01959	0.9
179.07083	3.5
180.04257	1.2
187.03986	1.2
189.05519	4.1
190.06416	3.7
191.07150	5.7
195.06631	11.7
239.07188	1.7
246.85199	0.8
249.05652	1.4
251.07085	3.2
261.05289	1.0
263.07001	0.8
266.05869	1.3
267.06613	16.5
268.07089	1.5
278.05725	1.2
279.06650	7.3
282.08972	11.5
283.09607	1.2
289.07236	4.3
293.08160	1.8
294.08963	4.3
297.07785	3.0
297.11261	29.4
298.11588	1.4
309.11374	1.6
312.10059	20.6
313.10526	0.8
315.12323	2.8
327.12350	100.0
328.12622	6.0
339.05008	1.0
345.13409	16.3
346.13696	1.6
357.13434	12.5
358.13602	1.1
375.14545	9.4
450.73907	0.8
537.21631	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86943	0.5
63.86473	0.8
67.76836	0.5
69.72994	3.5
71.01377	1.1
78.68175	0.7
84.03406	0.5
93.03445	0.7
96.96027	1.0
98.20612	1.4
108.02164	1.5
109.02954	22.0
121.02956	3.5
122.03723	0.8
123.00856	1.2
124.01601	0.9
129.67497	0.6
133.01421	1.1
135.04521	1.0
136.01662	28.3
137.02466	2.0
138.40903	0.6
145.02953	1.1
146.03720	1.7
147.04503	2.2
149.02426	0.9
150.03194	0.7
151.00266	0.7
151.04013	32.7
152.04338	1.2
159.04494	2.0
160.05289	1.4
161.06050	1.4
162.03226	0.9
163.03944	0.8
165.05557	0.8
172.05247	0.8
173.06030	0.7
175.03951	4.1
176.04774	1.9
177.05374	0.6
187.03993	1.3
189.05554	2.3
190.06285	2.5
191.07191	3.1
195.06560	1.0
211.07675	0.7
223.07657	1.1
239.07123	3.7
249.05550	1.1
250.06427	1.5
251.06889	1.2
261.05493	1.3
266.05829	1.0
267.06607	45.7
268.06931	2.4
279.06638	4.4
282.08969	40.0
283.09277	2.7
294.08994	2.3
296.10471	0.6
297.11307	100.0
298.11612	4.2
309.11264	1.2
312.10071	7.3
315.12354	2.6
327.12357	31.3
328.12683	1.9
345.13403	48.0
346.13757	2.7
357.13409	17.3
375.14484	24.3
376.14789	1.7
452.95428	0.7
521.87152	0.6
537.11511	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.7
59.47021	2.6
69.18408	29.7
69.29471	3.0
71.52668	3.2
75.00877	7.1
106.30293	2.8
119.05018	5.5
121.02955	13.2
126.40928	2.7
134.03676	4.2
135.03001	32.0
135.04544	16.2
136.05287	38.1
151.03961	4.8
151.07634	3.1
162.03275	3.6
177.05560	19.1
183.33569	2.6
188.41064	2.7
194.65509	2.9
195.06615	100.0
228.59427	3.0
239.05597	35.4
240.06046	3.3
297.11484	4.9
327.12354	4.1
419.33273	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	536.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31914	1.9
57.03452	2.2
59.01377	100.0
60.01714	2.1
61.98824	6.5
67.17195	1.7
69.03455	2.4
71.01381	31.4
72.01716	2.0
73.02944	30.2
83.01382	12.6
84.00906	19.2
85.02939	8.5
86.00111	2.6
87.00871	6.2
89.02436	14.8
95.01366	2.9
96.95998	2.4
98.20744	4.9
101.02446	25.8
111.00879	5.6
113.02452	15.5
115.00333	4.7
119.03502	4.8
119.05033	9.0
121.06580	14.4
123.04462	2.6
131.03526	2.1
141.01935	8.6
141.09203	3.2
143.03448	3.9
149.06053	3.4
155.07155	13.4
161.04530	8.2
161.05957	3.8
165.05525	3.0
176.04788	41.0
176.34312	1.8
177.05530	6.4
179.05653	3.4
179.07095	10.9
182.08159	3.0
193.08694	5.0
198.07690	26.5
203.05522	3.4
221.09720	5.0
231.13925	3.4
239.10767	36.5
240.11089	3.3
254.09439	2.7
257.11807	7.1
261.14810	4.2
271.13177	3.0
288.13528	11.0
289.14423	70.9
290.14972	3.5
300.15921	3.5
314.14084	3.5
316.15436	5.0
318.17087	5.5
332.15002	94.7
333.15161	3.5
334.16553	6.3
380.19354	2.0
433.18436	2.3
461.17963	10.2
474.22937	2.8
476.19193	5.5
492.24020	12.7
493.20874	18.3
494.20660	4.7
536.21368	37.5
536.31329	7.0
537.22101	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	536.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.9
59.01378	98.3
60.01727	3.9
60.88485	2.0
61.98819	6.1
62.90114	2.2
66.48535	2.0
71.01378	30.1
72.99277	2.8
73.02937	19.1
73.61493	1.7
78.29430	2.4
83.01398	7.4
84.00923	15.7
85.02952	6.7
86.00111	3.8
87.00878	7.3
89.02450	14.2
94.06596	2.5
95.01385	4.7
98.19881	7.7
99.00878	3.1
101.02443	30.5
111.00885	5.6
113.02457	15.5
115.00378	4.1
119.03505	8.6
119.05018	7.1
121.06586	12.1
123.04502	2.2
141.01927	8.5
141.09207	4.5
149.06134	3.3
151.07747	2.2
155.07138	8.5
161.04575	8.7
161.06046	5.4
165.05577	2.4
176.04762	31.7
177.05562	6.6
179.05681	4.4
179.07135	13.2
182.08231	2.6
193.08597	5.4
198.07680	22.9
217.03552	3.0
221.09795	2.2
229.69098	2.5
231.13834	2.9
239.10767	38.2
256.16864	2.3
257.11823	6.7
261.14996	3.9
263.63184	1.9
280.10031	2.6
288.13605	13.4
288.16309	2.8
289.14438	74.2
290.14789	3.5
300.15927	3.2
316.15442	5.5
318.17142	5.7
332.15012	100.0
333.15317	5.3
334.16510	3.6
343.15546	2.9
416.23804	3.5
434.24710	3.4
461.18036	10.3
476.19070	5.3
492.23953	10.2
493.20770	14.9
494.20526	4.9
534.68567	2.1
536.21375	34.9
536.31207	8.1
537.22119	4.4
537.32910	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27556	0.4
53.90934	0.3
55.01878	0.7
57.03438	1.0
58.00581	0.7
59.01381	19.1
61.98835	0.9
69.03468	0.5
69.26956	2.7
71.01380	8.7
71.05015	1.1
72.99319	0.7
73.02953	5.5
83.01390	1.2
85.02949	3.2
87.00865	0.6
89.02449	5.2
89.49570	0.3
95.01368	0.8
96.96020	0.7
97.06583	1.1
99.00874	0.6
101.02456	4.8
113.02454	3.0
119.03490	1.9
121.02998	0.4
123.08163	0.5
133.02983	0.4
168.13794	0.3
171.10271	0.9
209.20676	0.4
227.16574	0.8
245.17595	2.5
278.64307	0.4
295.22491	0.4
313.23767	0.7
331.24933	0.6
343.24902	1.3
355.24878	6.0
373.21405	0.6
373.25977	10.2
457.27994	0.4
475.28775	1.0
493.30133	0.7
517.18750	0.6
517.30664	0.7
535.31226	100.0
536.31665	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	535.36
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02337	0.3
59.01383	2.4
61.01810	0.4
61.98830	100.0
67.88958	0.4
69.31771	0.9
69.32195	1.9
78.95908	0.5
80.81828	0.4
82.48285	0.3
91.19847	0.3
98.19917	0.5
152.99591	0.6
183.19162	0.3
190.90001	0.3
255.23285	0.4
379.59824	0.4
502.97025	0.4
535.31531	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43839	0.6
58.45523	0.7
59.01070	0.9
59.01379	32.4
61.98829	100.0
63.53907	0.7
69.79670	3.0
71.01384	3.9
73.02945	1.1
87.70058	0.7
89.02457	2.4
98.20556	0.8
101.02445	2.5
105.12703	0.7
113.02452	1.5
117.14510	0.6
150.62259	0.7
158.75273	0.7
186.73613	0.7
201.98700	0.8
212.95703	0.7
227.94397	0.7
302.13812	0.8
369.19211	1.6
387.20337	4.9
429.21490	2.7
450.05646	0.8
477.05234	0.8
536.15887	1.1
545.59845	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52978	0.5
57.37122	0.5
57.81928	0.5
59.01381	45.9
60.01697	1.5
61.98830	100.0
71.01385	5.3
73.02953	2.0
75.40728	0.5
84.85873	0.6
85.02976	1.7
89.02460	1.3
98.19880	2.1
101.02455	2.6
113.02467	1.3
119.75642	0.7
135.04575	1.3
136.05322	1.3
191.79591	0.6
205.79202	0.6
221.01088	0.7
286.78992	0.8
288.22809	1.1
331.19159	1.1
332.19568	2.0
387.20441	2.0
432.26682	1.0
450.28308	1.7
492.29019	5.3
497.03992	0.7
536.25677	4.7
537.27875	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	32.7
60.85317	2.5
61.98824	4.1
71.01375	13.6
71.52699	2.8
73.02943	3.6
73.71500	1.8
85.02961	5.0
89.02473	3.1
98.74225	2.6
101.02438	8.1
108.14570	2.1
113.02497	3.0
114.63229	2.3
143.19061	2.5
152.99585	2.1
177.80482	2.0
204.23340	2.2
213.58907	2.3
287.22266	26.7
426.45425	2.4
431.26340	14.7
449.27548	36.9
491.28564	100.0
492.28976	7.5
535.31110	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	535.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81700	0.6
57.03450	0.7
59.01381	33.7
61.98822	3.0
71.01383	7.8
71.52876	1.1
72.02352	0.6
73.02946	2.7
78.95889	0.7
85.02953	10.3
88.98798	0.8
89.02448	1.0
99.92603	1.1
101.02442	4.6
110.11395	0.6
113.02446	3.6
116.92866	1.9
118.89902	0.7
119.03504	0.9
124.93670	0.7
125.09747	1.4
135.04514	2.0
141.31761	0.8
154.51463	0.6
161.04576	2.2
166.05280	0.7
176.66609	0.7
194.58392	0.9
201.09216	1.3
225.07678	0.7
267.23187	0.8
287.20142	0.7
295.22873	1.1
311.86954	0.7
313.23840	100.0
314.24210	4.9
327.25381	4.4
355.24832	1.8
356.21185	0.7
364.17450	0.8
367.24728	0.8
390.21524	2.7
411.22192	7.1
411.72287	2.3
469.29901	0.8
491.22495	4.5
491.28610	0.7
535.30640	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62103	0.5
52.39727	0.5
55.01861	0.6
57.03447	1.0
58.00578	0.8
58.96589	0.5
59.01379	49.5
61.98814	2.1
69.49308	1.1
69.49713	3.3
71.01382	12.1
72.99279	1.2
73.02947	4.1
73.98327	0.9
77.09295	0.5
83.01378	1.9
85.02953	5.7
87.00909	1.1
88.50832	0.5
89.02447	5.7
95.01379	1.1
98.19895	0.9
99.00874	1.4
101.02436	10.4
103.54152	0.5
111.00877	0.9
113.02448	6.0
117.97272	0.6
118.27912	0.6
119.03454	1.8
123.08138	0.9
123.99754	0.5
133.01398	0.9
135.04553	1.2
159.02925	0.9
161.04533	1.4
177.01872	0.8
238.48415	0.5
277.21689	1.9
321.69995	0.5
331.24664	0.9
373.25998	0.6
439.26935	0.9
457.28030	3.0
475.29059	3.4
517.18549	0.6
517.30109	1.2
535.31195	100.0
536.31592	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	535.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.0
59.01379	100.0
69.86287	3.5
69.86646	8.6
71.01385	25.3
73.02934	5.7
83.01367	2.8
85.02956	9.1
87.00885	2.2
89.02443	32.0
95.01403	2.2
101.02453	20.6
101.06095	2.9
110.30376	1.7
113.02452	20.7
118.08823	1.9
119.03513	12.4
131.03528	3.3
140.93155	1.8
143.03514	5.0
149.04475	1.8
161.04565	9.5
176.04832	3.5
179.05586	17.8
198.07602	2.2
239.10733	2.8
257.76712	2.0
289.14478	5.5
332.15070	9.3
343.11942	2.3
355.21216	2.9
397.22205	2.7
415.23315	11.5
433.24295	7.5
493.20676	2.8
535.31104	11.7
536.21637	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	535.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.98832	47.0
69.95576	3.8
70.65956	0.9
71.01385	12.3
73.02943	6.6
74.03044	0.8
74.77553	0.9
83.01376	3.0
83.05067	0.8
85.02940	4.2
87.00868	1.5
89.02447	3.7
99.00857	1.3
99.92577	1.3
101.02469	5.5
113.02437	2.7
115.92092	1.4
116.92838	1.8
118.58187	0.8
125.02393	1.0
133.02995	1.3
135.04494	1.8
136.05324	7.6
138.13773	0.9
146.42764	0.9
149.06046	1.8
154.61632	0.9
161.02466	1.7
161.04573	1.1
162.06793	1.1
231.10233	0.9
237.18448	1.1
249.94489	0.9
287.22375	7.2
313.23654	1.1
331.19174	12.8
373.25961	1.8
431.26501	4.2
449.27579	10.8
491.28625	25.1
492.29263	1.1
493.24228	1.5
535.25421	19.1
535.31830	1.7
536.25763	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21089	0.4
59.01381	100.0
60.01716	0.5
61.98836	2.3
62.21165	0.4
71.01398	1.1
71.53094	0.5
71.53441	0.5
73.02979	0.5
74.72208	0.4
78.95913	0.5
109.98756	0.6
116.65507	0.5
133.35623	0.5
135.04546	0.5
139.07663	1.2
146.17110	0.4
241.16066	0.4
252.04535	0.5
287.20129	2.4
299.20810	0.6
331.19113	7.9
373.75861	0.5
445.16342	0.4
475.23386	1.0
491.19302	0.5
535.25702	2.2
535.32727	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.9
57.03437	1.6
58.00576	1.0
59.01380	100.0
61.98824	2.5
69.03495	0.7
69.30904	2.5
69.31329	4.3
71.01384	17.2
73.02935	3.5
75.00864	2.5
78.95906	1.7
81.03445	0.8
83.01395	2.4
85.02937	6.5
87.00871	1.6
89.02444	13.8
90.46480	0.9
95.01375	1.6
98.19804	1.2
99.00874	0.9
99.04527	2.0
101.02444	13.5
101.06059	1.7
112.09120	0.8
113.02460	9.7
119.03504	4.1
121.02977	0.9
125.02451	1.1
132.44206	0.8
137.09764	0.9
143.07137	2.2
161.04539	6.4
179.05573	3.2
211.09787	1.7
232.50146	0.8
253.09291	2.7
269.08240	1.1
283.09711	0.8
297.18402	0.8
299.18646	4.1
315.18100	3.4
318.70163	0.7
332.99756	0.8
343.11841	3.6
355.11841	3.0
373.12891	1.2
397.22360	6.8
415.23352	20.4
416.23840	1.4
420.85941	0.8
433.24548	11.3
475.25510	2.5
535.21057	2.6
535.27448	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	535.182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	18.4
59.01659	1.9
61.98829	1.5
62.91568	0.8
65.85758	0.9
68.93350	0.9
71.01384	7.3
71.28883	1.8
73.02962	2.9
85.02959	2.7
89.02438	3.1
93.03465	1.5
101.02439	3.2
108.02160	1.7
109.02947	1.4
113.02459	3.4
121.02955	13.1
123.04464	2.6
135.04506	3.5
143.07129	1.0
147.04524	2.6
175.07541	1.0
194.05740	1.4
212.35114	1.2
225.05649	0.9
227.07202	1.3
237.05569	1.2
237.07698	2.4
239.07118	3.1
240.04259	1.2
241.05083	1.9
251.06953	2.1
253.05019	1.8
253.09155	3.6
254.05771	2.1
255.06633	5.8
263.07083	1.3
267.06601	10.8
267.10095	1.8
268.07361	4.9
269.08194	20.7
270.08566	1.9
280.07458	4.4
281.08231	9.7
283.09787	16.3
284.10507	5.0
285.20987	1.0
295.06595	1.6
295.09628	8.4
296.07156	1.1
296.10153	1.8
299.13055	1.3
299.18771	4.9
311.09225	16.2
311.12762	1.7
312.09695	1.3
323.09036	1.2
325.07230	1.6
328.09418	6.8
337.11026	1.1
340.09473	21.0
343.11859	100.0
344.12161	6.7
355.11868	59.7
356.12213	4.1
373.12827	8.1
378.83478	1.0
385.12997	1.5
397.12851	1.1
415.23215	2.5
433.24335	1.2
535.29724	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1817
Annotation	Bidenlignaside A
Peak:m/z	Relative Intensity
50.85259	0.8
59.01372	2.4
59.12337	0.8
65.77917	0.7
65.86781	0.7
69.87655	2.4
69.88065	1.5
73.02953	1.2
93.03433	0.9
98.19902	0.9
108.02161	1.4
109.02982	0.9
121.02952	11.9
123.04514	1.6
135.04529	1.7
145.02953	2.5
147.04492	1.8
162.06776	1.3
165.16087	0.8
226.03372	0.8
227.07118	0.7
237.05606	1.1
239.07047	2.1
240.04185	1.8
241.04955	1.5
241.08733	1.0
253.04903	1.5
253.08667	1.4
254.05841	1.6
255.06551	6.2
265.08627	0.9
267.06598	11.8
268.07288	3.3
269.08148	20.8
270.08578	1.0
279.10251	0.9
280.07343	4.1
281.08142	7.1
282.09097	1.5
283.09775	10.3
284.10486	5.5
295.09653	7.6
296.10507	4.1
299.12845	2.3
304.11890	0.9
310.08606	0.8
311.09274	17.3
312.09872	1.8
323.09146	1.1
328.09494	7.0
340.09436	25.9
341.09824	1.6
343.11835	100.0
344.12125	5.3
355.11829	66.5
355.16522	0.8
356.12262	3.5
373.12839	15.4
374.13300	1.0
380.70129	0.8
533.22107	0.7
535.17932	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	535.1824
Annotation	1-Hydroxypinoresinol 1-glucoside
Peak:m/z	Relative Intensity
59.01382	7.3
60.97326	0.6
61.04188	0.6
61.98822	2.6
65.89363	0.6
69.39243	4.2
71.01381	3.3
73.02950	2.2
89.02446	1.4
93.03444	0.8
101.02439	2.1
108.02190	1.0
109.02990	0.7
113.02434	2.2
121.02966	12.8
121.03782	0.5
123.04510	2.2
133.03008	1.1
135.04543	3.0
145.02989	2.0
147.04472	2.0
161.04549	1.0
162.06874	1.2
171.95868	0.6
175.07695	1.2
179.91400	0.6
194.05792	1.2
197.06047	0.7
209.06145	0.6
209.08105	0.5
209.11870	0.7
211.07600	0.8
212.04764	0.6
212.33379	0.7
225.05476	1.0
225.09161	0.8
226.06372	0.8
227.07135	1.3
237.05562	1.8
238.46089	0.7
239.07103	2.0
240.04251	1.9
241.05049	2.1
241.08812	1.2
245.10464	0.6
251.07045	1.0
253.05045	2.6
253.08849	1.6
254.05901	2.2
255.06654	7.3
256.07001	0.7
257.08231	0.7
264.07843	0.9
265.08594	1.1
266.05664	1.1
267.06583	13.9
267.09732	1.1
268.07367	5.2
269.08176	25.2
270.08490	1.5
271.09464	0.8
272.06821	0.9
280.07367	3.6
281.08212	6.8
282.08844	0.8
283.09741	13.4
284.10510	4.0
295.09705	7.5
296.10468	2.8
298.08478	0.8
299.12924	2.3
310.08658	0.9
311.09238	18.5
312.09830	1.4
323.09186	0.9
325.07135	1.9
325.10773	1.5
327.08289	0.9
328.09460	9.4
331.12274	1.5
337.10803	0.9
340.09503	26.5
341.09824	1.7
343.11853	100.0
344.12195	5.9
355.11847	58.4
355.16556	0.7
356.12201	3.8
373.12875	25.2
374.13263	1.2
385.12802	1.4
397.22101	0.7
415.14581	0.7
457.61047	0.6
535.18347	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	533.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77324	0.5
59.01381	100.0
60.01704	0.6
61.98831	1.6
69.03461	0.6
71.01401	1.0
78.95918	2.1
107.05041	1.5
109.06615	0.5
110.09968	0.5
116.92862	0.5
135.04535	5.0
138.22258	0.4
161.02521	0.6
171.48477	0.5
181.05096	1.4
181.08696	0.5
187.45024	0.4
196.03873	0.7
309.20883	0.6
336.22202	0.6
388.01776	0.5
473.33029	0.7
489.25488	0.8
533.27509	2.1
548.51215	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81572	4.1
54.02572	4.9
56.17166	4.3
58.21443	3.5
59.01376	7.5
70.26612	14.2
74.25630	4.4
90.14322	3.7
90.89384	3.9
98.20390	9.1
115.00359	16.9
115.34220	4.1
121.02968	11.4
123.76305	4.7
133.01413	52.6
134.03717	6.3
135.04526	17.8
136.05283	35.2
177.05533	17.7
179.03477	12.2
195.06604	100.0
239.05600	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	535.109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	8.8
67.02914	1.5
69.76416	6.5
71.01365	6.9
72.99305	4.2
75.00875	43.2
81.15938	1.6
89.02466	7.8
98.20628	1.9
106.04178	1.5
107.05013	1.6
108.02154	4.8
109.02961	2.9
115.00327	2.7
117.01932	4.1
117.65807	1.5
121.02960	2.4
121.06634	3.1
122.03713	4.7
123.04517	4.3
129.03400	1.8
133.01401	5.7
133.02946	3.8
134.03709	6.5
134.44246	1.8
135.03000	100.0
135.04524	7.2
136.03375	2.2
146.03716	2.1
147.04529	27.2
149.04915	3.4
149.06085	53.9
158.11354	1.6
159.04550	3.1
161.05980	3.0
163.04053	3.6
174.03223	31.3
175.02545	2.4
175.03987	34.6
177.01877	2.3
178.02740	1.6
179.03513	3.2
187.03969	6.0
193.05025	7.1
199.07777	1.8
225.05536	2.8
227.07034	2.3
237.05473	2.7
238.06290	3.2
241.05013	5.6
242.05840	6.9
249.38409	1.6
251.06946	2.1
252.07939	2.7
253.05080	2.8
254.05829	6.4
255.06584	4.8
257.08124	3.2
267.06549	3.9
268.07373	2.6
269.08176	11.9
270.09042	13.8
280.07321	1.9
285.11310	66.6
286.11661	3.9
295.06104	11.1
296.06824	5.5
311.05783	2.0
311.09225	52.7
312.09763	2.6
329.10287	82.4
330.10474	4.9
337.07062	3.8
355.08099	8.2
373.09259	38.8
374.09427	2.2
491.11728	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	533.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
58.16173	6.4
59.01368	24.3
71.01384	50.0
71.51985	9.0
72.99299	6.7
82.83350	6.3
83.04008	6.1
86.52729	5.6
89.02393	9.7
93.03468	9.9
115.00354	60.5
121.06547	10.0
122.03706	11.1
123.04554	6.8
128.03494	6.6
129.82590	6.8
133.01419	83.2
135.04483	11.4
147.04512	36.3
149.06071	56.7
165.05562	86.7
166.75165	5.6
191.05539	16.9
209.04474	42.2
231.03607	6.5
235.78223	6.1
255.99675	6.5
269.08173	13.1
285.11288	66.9
309.04089	16.3
323.13531	15.1
329.10309	100.0
335.01764	18.6
353.02637	6.6
373.09088	35.4
406.06250	6.3
533.09070	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	533.192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70371	0.6
57.97566	1.2
58.18402	0.7
59.01376	10.2
61.98829	100.0
71.01378	6.5
71.51423	0.9
71.51815	0.8
73.02970	1.4
83.01380	1.0
83.06154	4.0
85.02942	1.9
89.02449	5.2
95.01371	0.9
101.02426	4.5
113.02459	3.0
115.04033	1.4
119.76856	0.6
129.04652	0.6
135.04521	1.1
145.18016	0.8
147.45291	0.7
161.04568	2.5
187.07677	0.8
221.08369	0.9
317.17120	12.5
317.20499	0.9
351.15912	15.7
352.15930	0.7
362.03445	0.9
371.24350	1.7
385.74582	0.7
521.73926	0.9
533.29895	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	533.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30945	2.8
58.00587	3.2
59.01379	58.3
61.82042	2.2
61.98833	12.2
69.17656	8.8
69.18076	18.8
69.32005	3.0
71.01382	19.7
73.02935	6.7
75.80713	3.0
85.02942	7.9
85.04143	2.5
87.00867	6.4
89.02460	2.8
96.96003	3.7
101.02440	11.9
113.02429	4.6
116.92889	2.7
125.09641	2.9
135.04498	17.0
148.03978	5.6
150.05530	5.9
151.04016	2.7
177.01778	3.0
204.06619	5.0
210.03850	2.6
261.18610	2.4
285.20688	29.1
294.35733	2.5
311.22333	8.5
370.17831	3.4
371.24509	13.9
429.24750	11.4
447.25974	39.1
489.27045	100.0
490.27402	7.8
533.29968	5.2
542.88202	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	533.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	3.6
60.91520	0.9
61.98829	1.3
62.24717	0.8
70.22381	0.8
71.04968	0.8
71.52715	1.0
78.30492	0.8
78.95909	8.1
79.60631	0.9
95.00467	0.8
110.98521	4.8
135.86771	0.8
137.00145	0.8
156.07272	0.7
165.12874	2.0
167.01144	1.6
180.93765	0.9
181.12321	1.4
185.02208	5.2
190.84023	0.9
199.13394	21.9
199.18953	0.9
211.62737	0.8
279.19565	5.3
292.45709	0.8
298.47067	0.8
325.28864	0.8
347.25946	5.8
365.26941	100.0
366.27383	6.7
533.28931	16.3
534.29498	1.5
550.80511	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	14.7
61.98825	1.7
65.68723	0.9
70.98328	0.9
71.01389	17.1
71.51948	0.9
72.99313	2.1
73.02955	2.4
78.30544	0.9
78.95874	0.9
80.92814	0.9
83.01414	1.3
85.02954	1.1
87.00867	0.8
88.98805	3.2
89.02441	2.5
91.05546	6.3
93.03439	2.6
95.05054	1.0
96.96053	1.3
101.02433	3.4
107.05036	14.4
109.02956	2.6
113.02471	1.5
115.00376	21.0
121.02954	9.6
123.04539	2.7
124.01682	1.4
125.02508	1.0
128.03583	1.6
133.01450	20.1
133.02533	1.2
133.02936	1.8
134.03743	19.3
135.04530	100.0
136.04889	3.1
137.02463	1.1
137.06070	2.0
143.04605	2.0
147.04558	1.0
148.05305	1.5
149.06058	15.0
150.03235	2.6
151.04005	1.9
159.04517	1.0
161.02451	3.2
161.04611	1.0
162.03323	1.1
163.03999	1.5
176.01102	1.4
177.01927	1.6
181.05032	1.4
191.05565	2.3
193.05064	0.9
195.06531	6.8
225.05487	2.2
227.07234	1.0
237.05478	2.1
241.05141	1.1
241.08678	1.7
251.07010	1.1
253.08640	1.5
254.05701	2.4
255.06653	1.8
262.44614	0.9
267.06540	1.1
268.06955	1.2
269.08194	20.5
270.08884	3.8
272.09033	1.9
281.08298	1.1
283.09772	1.1
285.11191	1.1
295.06140	1.2
306.07565	3.0
309.04175	1.4
311.05780	1.2
311.09213	20.2
312.09650	2.0
314.11868	1.3
329.10291	88.5
330.10547	5.2
337.07089	3.8
355.08224	11.7
469.88385	1.0
473.18076	4.4
491.19061	3.7
533.19995	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	533.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.2
58.00561	0.2
59.01375	1.2
67.01898	0.4
69.78284	0.9
70.31651	0.1
71.01373	1.0
73.02946	0.2
77.72137	0.2
81.03442	0.3
83.05025	0.2
85.02950	8.5
87.00874	2.1
93.03461	3.1
93.85429	0.1
96.73232	0.1
98.20716	0.2
99.04492	0.4
109.02967	0.8
111.04524	0.9
113.02427	0.2
125.02410	0.1
127.04002	1.9
155.03435	0.2
171.02966	0.8
173.04543	1.2
173.09537	0.2
191.05608	100.0
192.05923	2.0
252.08693	0.2
518.51807	0.2
546.65588	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.3
69.78367	2.3
71.01382	0.9
82.79356	0.4
85.02953	8.0
87.00891	1.3
93.03467	2.7
98.19987	0.7
101.32864	0.4
109.02978	0.6
111.04530	0.9
127.04018	1.7
171.02917	0.7
173.04543	1.0
191.05611	100.0
192.05939	1.9
231.55263	0.4
254.51625	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33847	1.5
59.01379	2.9
61.06018	1.4
63.22623	1.2
71.01381	27.9
71.10794	1.8
71.11105	1.4
72.99312	1.9
89.02458	2.7
91.87775	1.3
96.96026	1.8
106.04225	1.7
108.02164	4.1
109.02898	2.1
115.00370	53.6
121.06612	3.5
122.03725	4.0
123.04476	2.7
124.01637	1.4
131.05019	2.2
132.58662	1.4
133.01434	67.3
134.03700	3.4
135.04565	3.4
147.04529	21.8
149.06078	54.9
159.04549	2.0
161.06075	3.6
174.03191	4.8
175.04010	4.8
187.03976	1.7
199.07607	1.7
225.05536	2.6
227.07135	2.0
237.05586	2.0
238.06227	3.4
238.62103	1.4
241.05064	3.6
242.05827	6.4
251.07198	2.7
252.07809	2.1
253.05003	3.9
254.05838	5.5
255.06606	4.2
257.08151	4.0
267.10248	2.4
268.07327	3.2
269.08258	11.0
270.08929	13.9
285.11328	75.5
286.11676	3.1
311.09238	6.7
329.10291	100.0
330.10660	6.7
373.09259	38.9
374.09720	2.6
403.91943	1.6
436.69901	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03122	0.5
57.03447	2.8
59.01379	100.0
61.98834	1.0
71.01396	1.0
78.95908	1.4
81.89735	0.6
83.01389	12.9
91.04026	2.9
98.20751	1.2
101.02461	3.6
151.01811	0.6
152.99625	2.5
157.05064	9.3
175.06114	12.7
175.07501	0.9
193.07230	2.7
255.23286	53.1
256.23779	2.2
279.23245	0.8
322.89801	0.7
357.09128	0.7
413.29083	6.9
431.30121	41.4
432.30225	3.6
447.25351	0.6
458.35196	2.1
473.31192	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	533.0937
Annotation	2'-Hydroxygenistein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
58.62942	1.7
59.01370	13.9
59.76430	2.2
61.43594	1.9
69.28406	18.1
71.01395	5.3
73.02968	2.0
73.16879	2.0
75.11946	2.6
78.95930	2.8
88.19053	1.9
101.02425	2.3
106.47804	1.9
106.86272	2.4
107.01421	2.1
113.02436	2.4
135.00813	2.4
151.00378	2.2
160.25838	2.4
185.05893	2.0
211.04044	3.4
218.44945	2.7
227.03528	22.6
229.05035	8.3
255.02977	58.8
256.03534	3.6
257.04535	7.9
284.03247	74.5
284.06412	4.0
285.04031	100.0
286.04242	3.4
353.10559	2.8
357.08795	2.9
371.11124	2.8
489.10379	47.4
489.22620	2.7
490.10495	4.1
533.29626	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22290	0.5
52.24231	0.5
55.01892	0.5
57.03430	0.5
59.01378	100.0
60.01728	0.9
61.98829	7.4
70.60390	1.5
70.67081	0.5
71.01385	8.6
73.02957	2.8
78.72891	0.5
78.95906	1.1
83.01396	0.8
85.02946	3.2
87.00874	1.4
89.02440	3.7
99.00887	1.1
101.02428	5.6
113.02444	3.5
119.03525	1.7
125.02476	0.7
135.04518	2.5
147.11838	0.6
159.04541	1.2
161.04613	2.5
173.06084	0.7
179.05498	0.6
187.07683	2.1
189.09314	0.6
199.07684	0.6
201.05779	0.6
202.06403	1.1
231.10280	4.8
301.14059	0.6
303.16162	0.6
319.97131	0.6
354.80658	0.5
389.15778	0.7
411.24319	0.8
429.24921	10.4
430.25409	1.0
459.03546	0.5
471.25900	0.9
481.24454	0.8
487.23526	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	12.4
61.98829	100.0
70.87560	1.8
71.01384	7.0
71.05019	2.8
72.62127	0.7
73.02943	10.5
83.01402	2.5
85.02943	1.0
87.52798	0.8
96.77280	0.7
101.02447	6.8
105.03457	2.2
113.02457	1.6
121.02977	4.1
121.77995	0.8
134.03738	2.7
147.00841	1.0
161.02446	19.9
175.71339	0.9
176.16840	0.7
177.09206	1.0
179.55164	0.8
189.01942	9.3
195.85272	0.8
219.02901	1.6
221.08182	18.1
239.96872	0.8
279.90424	0.7
329.23282	1.0
491.28378	1.6
506.19666	0.9
506.29828	0.9
533.29517	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	532.3409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23892	2.3
55.01865	5.5
57.03447	3.7
59.01385	11.6
61.98818	10.9
66.73050	2.9
71.23000	2.0
73.02944	4.4
78.95916	3.5
83.00923	4.4
83.01389	74.2
89.02550	2.3
91.03977	2.7
98.20674	6.3
157.05026	7.5
175.06155	3.2
279.23285	100.0
280.23611	3.3
303.23328	3.4
304.23602	10.0
437.29022	66.0
438.29340	4.0
473.26538	2.6
482.34830	5.1
532.27484	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	530.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.7
61.98832	0.8
71.01393	0.4
71.51681	0.4
78.95904	17.5
83.71707	0.3
84.33261	0.3
86.13648	0.4
95.83254	0.4
105.71622	0.3
123.88541	0.4
152.99602	2.7
158.31924	0.3
168.04308	2.5
217.22585	0.5
224.06923	7.6
225.34850	0.4
242.07977	1.6
255.23274	100.0
256.23596	5.2
303.23151	1.3
305.24762	0.5
382.92691	0.5
480.30917	61.7
481.31171	4.0
526.91565	0.4
531.26691	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.151
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32694	3.8
56.87137	4.6
59.01380	100.0
61.98839	8.5
66.58549	4.0
69.39069	31.5
71.01389	12.1
71.27515	3.8
85.02927	5.0
101.02442	6.3
135.04507	7.2
137.02434	12.4
177.01909	7.0
265.08679	11.9
293.08188	16.2
297.11258	4.8
305.96487	4.1
325.10626	10.6
327.08133	4.6
353.10291	49.6
368.12543	31.6
383.14996	99.3
384.15387	5.6
391.97675	5.1
399.02274	4.4
487.23325	12.8
531.27399	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	531.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.7
56.51830	0.6
57.40663	0.6
59.01383	9.6
60.65706	0.6
61.98832	1.7
71.51931	1.0
76.09190	0.6
78.95912	15.5
83.05029	0.8
94.70921	0.6
96.97001	1.2
141.13652	0.7
148.10806	0.8
152.99591	19.5
153.00841	1.3
171.00650	1.9
205.19598	1.8
207.42551	0.6
227.03394	1.5
245.04324	4.0
259.24265	5.7
289.18173	0.9
303.23291	100.0
304.23541	6.6
307.19040	0.9
355.78613	0.7
426.81488	0.6
465.61600	0.6
499.30661	0.7
514.85205	0.7
531.27252	29.7
532.27826	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
69.55726	3.8
69.56140	6.4
71.01385	25.1
71.78461	1.5
73.02950	21.4
75.54848	1.6
83.01395	7.3
85.02974	3.7
89.02448	11.4
101.02450	22.7
102.27135	1.7
105.03495	2.7
105.27221	1.9
109.02951	1.7
113.02445	13.4
119.03500	5.5
121.02944	1.8
131.03484	3.4
133.02975	2.7
135.04536	2.4
137.02454	32.2
143.03551	3.3
149.04646	1.9
150.03227	6.1
151.03990	5.4
160.01653	2.1
161.02463	3.3
161.04556	4.1
162.03273	1.8
165.05577	2.3
169.86774	1.7
174.45297	1.6
176.01216	1.8
177.01950	30.7
178.02695	7.0
179.03500	13.3
179.04935	1.6
252.44492	1.7
255.10226	5.4
271.24908	2.1
281.08096	5.3
282.08997	2.3
287.09430	1.9
299.09219	20.8
300.09937	3.1
325.07153	6.8
326.07947	3.8
344.08853	6.4
394.82404	1.6
414.73563	1.6
423.14484	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	529.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41619	0.3
59.01379	100.0
60.01709	0.8
61.98830	3.1
63.09288	0.4
65.67465	0.3
70.27273	1.0
71.01385	1.1
73.02954	1.0
81.13165	0.3
89.02446	0.6
101.02464	1.3
104.83215	0.3
112.33994	0.3
113.02474	1.0
115.00388	0.4
133.01448	0.6
133.02956	0.8
134.03723	0.4
135.04521	2.5
137.02464	0.6
161.04660	0.5
171.52299	0.3
177.02025	0.6
178.02792	0.4
179.03581	1.1
187.91011	0.3
235.13345	0.4
357.70782	0.3
369.17203	0.8
379.68329	0.3
413.15927	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	36.7
61.83594	1.0
61.98817	3.0
71.01382	5.9
71.52297	2.2
76.04401	1.0
83.01360	1.4
87.00880	1.6
89.02425	6.0
101.02468	7.9
113.02431	3.0
119.03457	1.7
135.04498	1.1
161.04515	4.6
195.13852	8.3
223.13362	4.9
224.14276	1.1
224.45413	1.2
253.09270	27.5
275.20108	5.4
293.21213	100.0
294.21469	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	529.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91393	0.6
51.73647	0.6
53.91357	0.6
59.01379	16.8
60.94339	0.6
61.98829	3.0
69.03487	0.7
70.36256	0.6
71.01381	6.6
71.51994	0.6
73.02940	1.2
78.95890	1.1
83.01383	0.7
85.02941	1.5
87.00906	0.6
89.02445	5.2
101.02432	7.4
113.02448	4.2
116.16693	0.6
119.03516	1.6
119.18301	0.6
161.04524	3.3
171.10219	0.7
179.05603	1.7
179.14458	1.0
188.43500	0.7
195.13876	8.8
205.12332	0.9
211.13380	0.6
223.13359	6.0
228.13675	1.1
235.08212	0.8
235.47351	0.6
253.09277	31.3
256.13223	1.0
275.20157	5.8
292.06039	0.8
293.21216	100.0
294.21542	4.6
304.56705	0.7
379.98590	0.9
447.13440	3.3
522.49213	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57650	1.3
53.85432	1.3
55.01883	1.4
59.01381	100.0
60.01718	2.9
61.01808	1.4
61.98816	4.6
69.36361	7.0
69.36779	3.9
71.01382	29.2
72.19287	2.0
73.02946	47.3
83.01395	10.8
84.29558	1.5
85.02966	3.5
89.02431	6.5
101.02447	35.3
113.02472	12.7
115.00275	1.8
115.44901	1.6
119.03493	3.6
125.02409	1.5
131.03467	3.2
133.02979	3.0
134.03751	2.0
135.04521	7.0
138.58179	1.5
143.03467	2.9
149.04546	2.3
161.04623	3.6
179.03497	3.5
187.68346	1.4
279.53976	1.8
349.29428	1.5
369.17020	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	529.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88311	1.8
59.01379	100.0
60.01698	2.2
69.26277	11.2
69.26702	6.6
69.34432	2.4
71.01382	24.8
73.02942	19.2
76.23294	2.2
83.01394	6.4
85.02939	5.1
87.00839	2.1
89.02435	12.0
96.96017	7.7
98.20623	3.5
101.02445	19.7
105.03464	4.2
109.02954	4.6
113.02467	11.1
119.03506	5.0
121.02943	2.3
125.02496	2.9
133.02957	2.8
134.03616	2.1
135.04517	2.9
137.02444	43.6
149.02486	3.5
150.03223	11.2
151.03958	6.0
152.04779	2.9
161.02380	5.6
161.04475	4.1
165.05569	5.0
174.89926	2.2
177.01920	33.9
178.02693	9.6
179.03506	24.4
239.68309	2.1
241.00049	2.3
255.10280	10.3
281.08255	5.3
282.09116	2.7
299.09229	29.0
300.09891	6.8
325.07169	9.0
326.07852	6.2
344.08911	10.9
406.22897	2.6
449.27173	2.2
529.23248	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04716	1.3
56.06331	1.3
59.01377	36.2
60.01722	1.7
61.98803	1.9
62.73975	1.6
70.36739	1.3
71.01375	6.1
73.02952	2.2
85.02983	1.5
89.02477	1.8
96.30084	1.4
96.96008	1.7
96.99686	1.4
98.19842	3.1
105.03447	6.8
107.04990	1.3
108.02121	1.6
109.02944	6.4
113.02438	3.0
115.00299	2.2
119.05020	2.1
121.02931	3.4
123.00850	1.6
133.01414	3.4
133.02962	7.1
135.04465	4.8
137.02444	100.0
138.02789	2.1
148.01680	2.5
149.02440	7.3
150.03233	22.7
151.04021	12.9
152.04808	9.8
160.01617	6.0
161.02425	13.3
162.03151	3.0
165.05548	4.3
176.01147	4.7
177.01929	94.1
178.02670	19.7
179.03490	47.4
194.02052	1.8
229.36835	1.8
237.09093	1.8
239.07127	3.9
241.08505	1.6
253.08723	2.2
254.09412	2.0
255.10263	18.6
256.10669	1.9
257.08191	1.9
261.09692	1.5
280.07318	2.0
281.08188	12.7
282.09024	6.8
287.39236	1.7
288.10013	6.2
299.09241	62.0
300.09924	12.3
314.07840	2.7
325.07202	19.9
326.07877	7.7
344.08969	18.4
345.09601	1.8
419.23553	2.4
423.14484	5.4
441.15567	3.0
467.13181	3.8
534.64819	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
69.26980	7.8
71.01382	20.0
72.99300	4.3
87.00916	1.0
89.02438	2.4
93.85754	0.9
94.75047	0.8
115.00376	48.1
133.01434	100.0
135.04530	25.1
144.08183	1.3
160.04112	1.3
161.02441	11.4
161.04720	0.9
173.04816	2.3
176.01198	1.1
178.32747	0.8
186.05632	2.1
187.06241	1.8
188.07169	44.9
189.07520	1.3
190.08734	13.5
214.05116	6.7
216.06653	17.6
217.06996	1.0
232.06145	28.1
233.06914	7.4
234.07698	32.3
235.08073	1.4
300.15588	0.8
350.10242	2.9
368.11353	9.5
394.09308	9.2
499.65750	0.8
516.47211	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55095	0.1
59.01379	4.9
61.16523	0.1
61.98812	0.1
62.11544	0.1
68.79294	0.1
69.91739	0.1
70.08543	0.4
71.01363	0.5
78.95905	10.8
80.96502	0.1
81.03429	0.2
83.05024	0.5
96.35938	0.1
96.95985	0.1
96.96928	0.2
97.06596	0.1
109.06603	0.2
133.06531	0.1
140.70895	0.1
141.09274	0.1
141.82779	0.1
145.62273	0.1
149.13388	0.1
152.99573	1.2
159.08098	0.1
163.07625	0.2
163.14917	0.1
168.02928	0.2
168.04309	3.0
171.00540	0.1
177.09177	0.4
191.10786	0.2
205.19618	1.5
224.06929	2.0
224.08948	0.2
231.14093	0.1
231.21152	0.4
242.07982	5.4
257.22742	0.1
259.24283	6.9
260.24603	0.3
285.22198	0.5
301.21796	0.2
303.23276	100.0
304.23624	5.3
322.49500	0.1
528.30994	6.9
529.31494	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.2
57.03449	0.3
59.01381	100.0
60.01713	0.8
61.98824	0.4
65.96030	0.1
71.01392	3.3
71.52753	0.2
72.99323	0.2
73.02946	0.8
75.13232	0.2
80.51485	0.2
83.01395	1.2
85.02945	2.0
87.00945	0.1
89.02468	0.7
95.01398	0.3
96.95976	0.2
99.00889	0.5
99.92574	0.2
101.02446	1.9
113.02444	2.2
116.92914	0.3
119.03549	0.2
125.02467	0.2
133.01443	0.3
135.04564	0.4
143.03520	0.7
159.03029	0.2
161.04552	0.9
179.03166	0.2
187.30682	0.2
207.92429	0.2
213.67070	0.2
249.07518	0.3
250.07628	0.2
285.47006	0.1
467.30151	3.2
468.30823	0.3
485.31247	3.2
486.31961	0.2
527.22302	0.5
527.32202	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01716	1.1
60.72261	0.7
61.98830	4.6
69.03475	1.1
69.59028	2.7
69.59456	2.1
71.01382	8.7
71.05032	1.8
72.24308	0.7
73.02951	2.6
78.91892	1.0
80.91699	0.9
83.01392	2.0
85.02966	3.1
89.02473	1.4
97.06597	0.7
98.19871	0.8
99.00928	1.1
101.02433	6.5
105.03469	1.0
113.02463	4.2
114.40843	0.8
118.26054	0.7
133.02905	0.7
143.03529	0.7
161.04561	3.6
167.84674	0.7
177.01970	0.8
209.04659	1.2
253.09335	1.2
278.11148	0.8
291.19629	9.4
293.99234	0.8
433.17920	0.7
467.30069	9.2
467.36133	0.8
478.13281	0.9
485.31134	10.0
486.31824	1.0
486.88596	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.3
58.00614	0.3
59.01380	100.0
60.01715	0.5
61.98827	0.4
69.03467	0.5
69.90822	1.5
71.01383	8.5
72.99323	0.9
73.02948	9.0
75.00879	0.3
75.62437	0.2
83.01378	2.5
83.01746	0.2
85.02950	2.7
89.02448	2.2
95.01398	0.4
96.95973	0.3
97.02953	0.6
97.06620	0.3
99.00865	0.7
101.02446	7.3
113.02432	3.0
115.00367	0.7
119.03513	1.1
121.30819	0.3
128.03601	0.4
131.03560	0.5
133.01433	0.6
133.03011	0.4
135.03113	0.3
135.04559	1.5
143.03633	0.6
143.04694	0.3
147.11841	0.3
159.02983	0.3
161.04568	1.8
165.03951	0.3
165.12904	0.7
171.11810	0.5
243.17670	0.9
246.11140	0.3
272.09152	0.3
290.09491	0.3
303.42157	0.3
323.09375	0.5
423.24081	0.4
467.30396	0.4
485.24994	0.4
485.31177	1.4
527.25165	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.3
58.00614	0.3
59.01380	100.0
60.01715	0.5
61.98827	0.4
69.03467	0.5
69.90822	1.5
71.01383	8.5
72.99323	0.9
73.02948	9.0
75.00879	0.3
75.62437	0.2
83.01378	2.5
83.01746	0.2
85.02950	2.7
89.02448	2.2
95.01398	0.4
96.95973	0.3
97.02953	0.6
97.06620	0.3
99.00865	0.7
101.02446	7.3
113.02432	3.0
115.00367	0.7
119.03513	1.1
121.30819	0.3
128.03601	0.4
131.03560	0.5
133.01433	0.6
133.03011	0.4
135.03113	0.3
135.04559	1.5
143.03633	0.6
143.04694	0.3
147.11841	0.3
159.02983	0.3
161.04568	1.8
165.03951	0.3
165.12904	0.7
171.11810	0.5
243.17670	0.9
246.11140	0.3
272.09152	0.3
290.09491	0.3
303.42157	0.3
323.09375	0.5
423.24081	0.4
467.30396	0.4
485.24994	0.4
485.31177	1.4
527.25165	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.7
57.03446	1.1
58.00606	0.3
59.01377	100.0
60.01709	0.8
61.01838	0.3
61.98829	0.9
62.10258	0.3
70.52901	0.6
70.53266	0.4
71.01380	12.3
72.99314	0.6
73.02946	3.7
75.78098	0.3
83.01381	2.2
83.15329	0.3
85.02949	6.6
87.00888	0.8
87.04517	3.5
89.02451	4.8
95.01394	2.1
97.02950	0.3
97.48006	0.3
99.00896	1.3
100.15048	0.3
101.02438	5.3
112.01706	0.6
113.02446	13.0
119.03510	1.3
120.60962	0.3
125.02436	0.4
135.04475	0.5
138.27925	0.3
143.03546	1.0
155.50722	0.3
161.04552	2.5
193.09679	0.3
198.03992	0.3
291.19788	0.9
323.25992	0.8
379.25034	0.4
449.28961	1.6
467.30109	27.6
468.30585	2.1
485.31201	9.6
486.31464	0.9
492.10153	0.3
527.32208	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	0.4
58.00599	0.6
59.01381	100.0
60.01724	0.6
61.98835	1.6
69.15810	0.6
69.16136	3.1
71.01384	12.9
71.05015	0.4
72.99339	0.6
73.02940	3.6
75.00892	0.5
78.37389	0.3
83.01385	1.4
83.04989	0.3
85.02953	4.4
87.00882	0.5
89.02443	7.0
95.01401	1.7
99.00884	0.8
101.02438	6.5
101.06087	1.6
113.02450	11.0
115.04076	0.3
119.03507	2.0
125.02465	0.5
131.03563	0.3
143.03531	0.6
159.03108	0.4
161.04556	2.7
179.03761	0.3
179.05653	0.5
193.79533	0.3
220.00162	0.3
236.80623	0.3
247.63385	0.3
323.25836	3.1
441.24976	0.4
467.30096	20.1
468.30569	1.8
468.36246	0.3
483.26205	0.9
485.31213	9.7
485.38171	0.5
486.31863	0.8
527.33142	2.1
528.33185	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44826	0.5
57.03460	0.7
59.01381	100.0
60.01714	0.6
69.20319	3.5
69.64057	0.6
71.01385	4.8
73.02966	1.9
83.01396	1.1
85.02962	2.5
89.02465	1.1
96.96052	1.6
99.00866	0.7
100.61269	0.5
101.02423	2.6
113.02435	3.0
130.29980	0.5
132.65312	0.5
135.04518	0.8
159.11731	0.5
161.04530	1.1
257.90656	0.5
305.14758	0.5
329.23337	11.8
329.27188	0.7
330.23718	0.7
446.21588	0.6
447.26395	0.6
467.30014	6.5
485.31277	4.5
499.38626	0.6
527.21924	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01707	0.7
61.98841	0.6
67.41438	0.3
69.19740	0.7
69.20133	2.8
71.01385	2.8
73.02956	0.9
83.01399	1.1
85.02953	1.8
86.79872	0.3
89.02452	0.4
92.93959	0.4
101.02433	1.5
111.57777	0.3
113.02436	2.3
143.03526	0.6
161.04607	0.6
241.36626	0.3
467.30139	3.1
485.31360	3.2
486.32208	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22618	0.2
55.01869	0.7
56.78504	0.2
57.03433	0.4
59.01380	100.0
60.01712	0.8
69.20443	0.6
69.20846	1.5
71.01382	4.6
73.02940	1.6
83.01382	1.6
83.01778	0.2
85.02953	3.3
87.00891	0.4
89.02437	0.4
94.04596	0.2
95.01412	0.6
99.00890	0.7
101.02443	3.1
111.00924	0.3
113.02455	3.1
130.08748	0.5
143.03496	0.5
159.03029	0.5
161.04544	1.5
202.14705	0.2
296.21689	0.3
447.83893	0.2
467.30106	7.6
468.20535	1.0
468.30582	0.6
485.31158	5.8
486.32019	0.5
527.32416	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50903	0.2
55.01879	0.5
57.03442	0.7
58.00588	0.4
59.01381	100.0
60.01709	0.8
61.98837	2.9
69.27601	0.2
70.53717	0.8
71.01381	6.3
72.99277	0.3
73.02940	1.5
82.95415	0.6
83.01393	1.8
85.02955	3.1
87.00898	0.3
89.02448	1.8
95.01391	0.6
99.00878	1.0
101.02447	3.7
101.45057	0.2
104.51221	0.3
113.02450	4.0
119.03506	0.4
143.03534	0.8
159.02989	0.2
161.04553	1.7
177.02017	0.3
179.03458	0.3
305.63922	0.3
319.26929	0.3
431.28320	0.7
437.29037	0.4
449.29102	0.8
467.30112	5.9
467.36108	0.4
468.30539	0.6
485.31158	5.1
486.31824	0.4
527.33160	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.3
59.01379	100.0
60.01722	0.6
61.98826	0.6
62.43494	0.3
67.81754	0.2
69.19839	2.9
69.45622	0.3
71.01380	4.4
72.99277	0.4
73.02950	1.6
74.67979	0.3
78.08785	0.3
83.01400	1.2
85.02951	2.9
88.49624	0.3
89.02440	1.5
95.01406	0.6
98.19730	0.5
99.00882	0.6
100.85732	0.3
101.02453	3.2
113.01707	0.4
113.02433	2.4
119.02608	0.2
119.03495	0.6
124.64313	0.3
135.04541	0.8
137.02480	0.3
142.01767	0.3
143.03508	0.6
161.04608	1.1
163.12032	0.3
179.05595	0.5
271.05981	0.3
323.18750	0.7
423.32794	0.6
439.32108	0.4
467.30069	3.9
485.31302	3.4
486.31836	0.3
527.32660	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35586	0.3
55.44710	0.3
56.79449	0.3
59.01378	100.0
60.01710	0.9
61.98830	3.3
63.46638	0.3
64.03986	0.4
70.52934	1.0
71.01383	3.5
73.02952	1.4
83.01403	0.7
84.28645	0.4
85.02956	1.6
85.84808	0.4
89.02454	1.3
95.01397	0.5
97.02991	0.4
101.02457	2.6
112.88824	0.3
113.02432	3.1
143.03502	0.5
161.04562	0.8
177.01970	0.5
223.00357	0.4
279.41455	0.4
281.04443	0.4
282.16977	0.4
291.19714	0.5
359.88431	0.4
423.67511	0.5
467.30362	4.5
468.30466	0.6
485.31488	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50903	0.2
55.01879	0.5
57.03442	0.7
58.00588	0.4
59.01381	100.0
60.01709	0.8
61.98837	2.9
69.27601	0.2
70.53717	0.8
71.01381	6.3
72.99277	0.3
73.02940	1.5
82.95415	0.6
83.01393	1.8
85.02955	3.1
87.00898	0.3
89.02448	1.8
95.01391	0.6
99.00878	1.0
101.02447	3.7
101.45057	0.2
104.51221	0.3
113.02450	4.0
119.03506	0.4
143.03534	0.8
159.02989	0.2
161.04553	1.7
177.02017	0.3
179.03458	0.3
305.63922	0.3
319.26929	0.3
431.28320	0.7
437.29037	0.4
449.29102	0.8
467.30112	5.9
467.36108	0.4
468.30539	0.6
485.31158	5.1
486.31824	0.4
527.33160	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2496
Annotation	Taxuyunnanine N
Peak:m/z	Relative Intensity
55.01870	0.9
57.03450	1.2
58.00601	0.7
59.01378	100.0
61.00124	0.5
61.98825	0.9
69.03457	1.0
71.01380	22.8
71.52161	1.0
72.07921	0.5
72.99320	1.8
73.02943	17.4
81.03429	0.8
83.01378	6.0
83.05047	0.8
83.71149	0.6
85.02946	7.2
87.00878	0.9
89.02444	10.9
89.02944	0.9
93.03476	0.9
95.01411	1.9
96.96001	0.6
97.06601	1.4
98.80753	0.6
99.00887	1.2
101.02441	18.0
109.02985	1.3
109.06548	0.5
111.00867	0.8
113.02453	9.2
119.03481	4.4
119.57642	0.5
125.02513	0.7
125.06096	1.6
127.04040	0.8
131.03537	1.7
133.01468	1.2
135.03032	0.7
135.04532	1.6
141.05582	0.6
143.03551	1.4
145.17091	0.6
149.04604	0.9
155.03537	0.6
161.04610	2.1
169.05035	0.7
174.71289	0.6
179.05684	1.3
225.61478	0.6
243.17493	0.7
261.18576	0.8
268.95090	0.5
339.18158	0.7
357.19354	0.8
365.19543	0.5
405.22971	2.3
423.23734	3.9
425.01935	0.6
449.21951	0.7
467.23102	1.8
485.24319	1.3
509.24246	2.0
527.24908	12.6
528.26166	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81136	0.5
55.19624	0.4
57.03438	0.5
59.01378	100.0
60.01727	1.1
61.01817	0.5
61.98830	1.9
65.86281	0.4
69.41329	3.5
71.01379	7.6
71.01733	0.7
73.02959	1.5
83.01395	2.0
85.02956	3.3
87.04529	1.3
89.02454	2.7
95.01358	0.9
99.00917	0.4
101.02441	4.6
107.24024	0.4
111.00876	0.5
113.02445	6.1
117.05773	0.5
119.03490	0.5
125.02492	0.7
133.01451	0.5
135.04544	0.7
143.03493	0.7
161.04547	1.1
187.04019	0.5
197.72607	0.5
209.04471	0.5
344.49072	0.4
452.27716	0.5
467.30127	15.1
468.30905	0.9
485.31161	5.5
527.32654	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44590	1.3
59.01369	5.5
61.98810	3.5
63.92031	1.4
69.86303	7.2
71.01395	2.6
81.75807	1.4
96.96021	2.0
98.19898	2.0
101.02447	1.5
121.02953	1.9
133.01466	1.5
133.02928	1.5
134.03745	47.7
135.04468	5.1
137.02437	6.0
140.62938	1.3
142.06570	1.9
149.06067	12.6
160.01633	2.3
161.02397	1.5
172.18137	1.4
174.73120	1.4
175.04018	3.4
178.02737	25.3
193.05045	100.0
194.05440	3.3
229.06044	2.8
279.08795	2.7
365.11353	3.5
370.76300	1.5
377.05917	1.5
397.11499	4.2
404.63281	1.4
451.10355	2.4
455.69751	1.5
501.15588	1.6
527.26056	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01714	0.7
61.98830	5.9
69.26012	4.9
71.01376	10.6
72.99276	0.6
73.02950	7.1
78.95904	0.8
83.01392	2.6
85.02936	3.4
89.02437	4.2
90.09274	0.5
92.05071	1.1
95.01404	1.1
96.96046	0.7
98.20648	1.3
99.00898	0.8
101.02439	7.9
109.03017	0.7
109.85384	0.5
113.02453	5.5
119.03539	1.0
121.03121	0.7
129.03961	0.6
131.03540	0.7
133.01503	0.7
135.02959	0.7
135.04559	2.1
143.03493	1.1
149.04607	0.8
154.21335	0.6
159.04567	0.6
161.04552	2.2
169.65631	0.7
177.01967	1.0
225.05090	1.3
253.04539	3.3
261.18698	0.8
267.02911	0.7
267.72592	0.6
271.05603	0.9
423.23773	1.2
435.65027	0.7
445.09525	1.1
467.23663	0.7
467.30344	1.8
485.31497	2.0
526.36975	0.8
527.24890	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	11.7
60.73569	2.5
61.98817	12.5
65.96407	2.5
69.46762	16.7
71.01367	6.8
75.71597	2.7
77.32246	2.5
83.17339	2.3
85.02934	3.5
101.02447	2.7
103.03957	8.0
107.05039	2.8
133.02966	3.1
134.03741	87.2
135.04543	17.6
149.06082	24.5
160.01636	9.6
175.03973	14.3
178.02623	7.1
186.05658	3.8
193.05048	100.0
194.05365	4.8
279.08737	4.9
295.36072	2.7
297.93976	2.3
342.88300	3.4
365.11362	5.8
397.11404	17.8
473.56573	2.7
483.13254	6.0
527.16815	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3068
Annotation	Simplexin H
Peak:m/z	Relative Intensity
51.26978	0.5
57.03438	0.8
58.00586	0.5
59.01379	100.0
60.01708	0.9
60.83585	0.3
61.98850	1.0
69.20483	0.5
69.20887	3.4
71.01381	16.1
72.99318	1.0
73.02956	3.9
83.01379	2.2
85.02948	6.4
87.00884	1.3
89.02448	7.5
94.98272	0.4
95.01385	2.4
97.02964	0.4
98.20582	0.9
99.00911	1.4
101.02451	7.7
111.08194	0.4
113.02444	12.6
119.03518	3.6
121.43628	0.4
125.02483	0.6
131.03481	0.5
141.09280	0.6
143.03479	0.8
159.03070	0.6
161.04559	2.3
179.05647	1.1
289.18204	0.5
303.23129	0.6
321.24319	2.4
465.28494	11.3
466.29324	1.2
483.29593	12.6
484.29901	1.0
507.29922	0.7
525.30884	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3446
Annotation	Hemiasterlin
Peak:m/z	Relative Intensity
51.91409	0.5
59.01376	1.9
61.98832	0.9
68.99818	3.3
69.03440	2.2
71.01381	1.5
78.95894	3.3
83.05006	0.8
95.05029	5.4
96.49902	0.5
97.02953	2.1
97.06586	2.1
107.05059	6.5
109.06560	2.0
111.04487	1.8
119.05012	0.6
121.06596	4.2
123.04517	1.8
123.08169	4.3
125.06079	24.8
126.03210	1.2
133.06564	2.2
139.04057	0.8
139.07625	3.7
147.94380	0.7
149.06093	6.2
151.03963	0.7
151.07635	4.5
153.05559	7.4
167.07118	10.2
177.05629	3.3
179.89278	0.9
180.24866	0.6
185.08130	1.1
191.60912	0.6
195.06596	5.8
196.89403	0.7
198.89381	0.7
251.09311	1.0
255.23294	41.5
256.23590	2.4
269.10263	7.3
275.70258	0.8
286.83707	0.6
287.11349	3.9
430.68347	0.7
467.17340	0.6
507.33374	1.0
525.18268	5.7
525.34302	100.0
526.34717	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	525.3069
Annotation	Simplexin H
Peak:m/z	Relative Intensity
57.03461	1.8
59.01381	100.0
61.98833	1.9
69.03455	1.0
69.16403	4.7
69.16824	1.6
71.01383	17.2
73.02950	4.3
83.01399	2.7
85.02956	12.5
89.02439	6.1
92.33283	0.6
95.01411	1.8
97.03025	0.7
97.06590	0.7
99.00889	1.7
101.02459	7.5
101.06087	0.7
103.09243	0.6
112.01693	0.8
113.02455	10.0
119.03527	2.1
125.02449	0.7
135.04547	1.0
143.03586	0.8
150.32333	0.7
161.04619	2.4
211.07907	0.6
222.46152	0.7
223.26100	0.6
225.01466	0.6
246.56244	0.6
263.20157	0.7
273.87946	0.8
274.23660	0.7
303.23499	1.2
321.24393	5.8
447.27582	2.2
465.28543	38.2
466.28745	3.8
483.29541	11.5
484.30380	1.1
525.31464	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3066
Annotation	Simplexin H
Peak:m/z	Relative Intensity
55.01883	0.7
57.03442	0.8
59.01378	100.0
60.01711	0.7
61.98826	0.3
69.03453	0.3
69.82867	0.2
69.95562	0.7
69.95955	0.5
71.01383	5.5
72.99313	0.3
73.02952	1.7
83.01387	1.7
84.07548	0.2
85.02946	4.3
85.61722	0.2
89.02460	1.0
91.07026	0.3
95.01409	0.6
98.20023	0.3
99.00886	0.9
100.98315	0.2
101.02445	3.5
101.72643	0.3
113.02456	2.8
127.29803	0.2
143.03500	0.4
159.02917	0.4
161.04601	1.1
180.84015	0.3
206.08551	0.3
213.57660	0.3
300.62616	0.3
321.24530	1.0
340.64255	0.3
435.27396	0.3
441.61963	0.2
465.28537	6.4
479.81436	0.3
483.29602	5.3
484.30130	0.4
494.25409	0.3
519.11157	0.3
525.31122	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3067
Annotation	Hythiemoside A
Peak:m/z	Relative Intensity
50.16044	0.3
51.21131	0.3
52.26984	0.3
59.01379	100.0
60.01719	1.0
61.25463	0.3
61.98810	0.8
65.96613	0.3
71.00780	0.3
71.01379	4.8
71.51620	0.4
71.52003	0.4
73.02943	2.1
83.01422	1.0
84.47111	0.3
85.02956	2.1
89.02464	1.5
95.01366	0.4
99.00901	0.4
101.02461	2.7
113.02437	2.0
123.08152	0.6
133.01379	0.4
154.22528	0.3
161.04604	1.6
341.19623	0.5
465.28772	1.5
483.29572	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	525.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28936	0.2
55.00962	0.3
55.01880	0.4
57.03449	0.8
59.01378	100.0
60.01717	0.8
61.98832	0.6
71.01382	6.6
72.99332	0.5
73.02946	2.2
83.01372	1.9
85.02950	3.5
87.00887	0.4
89.02460	1.0
92.76279	0.2
95.01406	0.8
98.19770	0.5
99.00912	0.8
101.02444	3.8
111.00902	0.2
113.02452	4.4
113.70836	0.2
119.03510	0.6
135.04529	0.3
143.03487	0.3
147.64604	0.2
161.04594	1.3
179.03488	0.3
211.13525	0.3
247.20781	0.4
277.21750	0.7
321.24582	0.7
465.28577	7.2
466.29166	0.7
483.29575	5.0
483.35901	0.3
484.30219	0.6
525.30634	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3069
Annotation	Hythiemoside A
Peak:m/z	Relative Intensity
51.38128	0.4
55.01872	0.5
57.03435	0.4
58.00586	0.6
59.01379	100.0
60.01706	0.9
61.98838	0.6
65.24877	0.4
69.45338	0.5
69.45737	2.2
71.01382	15.4
71.01779	0.8
72.99311	0.6
73.02946	8.8
76.57564	0.4
76.58333	0.3
79.83738	0.3
79.84315	0.4
83.01381	2.4
84.10271	0.4
85.02949	3.6
87.00889	0.6
89.02437	6.7
95.01418	1.4
97.02977	0.4
101.02444	9.3
113.02448	9.7
119.03499	2.3
125.02477	0.6
131.03561	0.6
142.37465	0.4
143.03529	1.5
146.88428	0.5
149.04660	0.5
156.42798	0.4
161.04541	2.2
179.05618	0.7
254.43219	0.4
369.02090	0.4
423.84656	0.4
465.28555	5.0
483.29626	2.8
525.30829	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3067
Annotation	Simplexin H
Peak:m/z	Relative Intensity
55.01877	0.6
57.03445	0.7
59.01380	100.0
60.01709	0.4
69.03469	0.4
69.32996	1.7
69.33389	0.4
71.01381	5.3
73.02949	1.6
83.01394	1.7
85.02945	2.7
89.02466	0.8
95.01414	1.0
99.00915	0.8
101.02442	3.1
101.03094	0.3
104.05094	0.2
111.00867	0.3
113.02453	3.1
119.03547	0.2
125.02459	0.3
140.81841	0.2
143.03508	0.2
159.03053	0.4
161.04556	1.4
254.87396	0.3
321.24374	0.5
328.46393	0.2
417.26218	0.3
435.27875	0.3
465.28528	6.8
466.29016	0.5
483.12177	0.3
483.29596	4.1
483.35831	0.3
484.30283	0.5
525.30890	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52186	0.9
59.01378	100.0
60.01702	1.1
60.35816	0.8
61.98826	3.4
69.20673	4.9
69.21102	3.8
71.01383	12.5
73.02939	5.7
83.01397	2.1
84.64875	0.8
85.02950	3.7
89.02447	4.0
96.95982	0.9
101.02438	6.5
113.02443	5.2
119.03477	1.7
125.65879	1.0
149.04546	1.1
161.04588	1.5
179.58661	1.0
210.24084	0.9
213.16505	1.5
277.18066	18.4
278.18301	1.0
300.20514	1.1
301.18073	4.4
383.01782	1.2
439.23254	1.5
465.28354	4.3
481.24542	5.9
483.29437	2.4
525.31653	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3068
Annotation	Simplexin H
Peak:m/z	Relative Intensity
55.01881	0.5
57.03453	0.5
59.01379	100.0
60.01700	0.7
61.43147	0.2
61.98833	1.9
69.19562	1.1
69.19997	1.3
71.01382	6.1
73.02950	1.8
73.03299	0.2
78.58804	0.2
80.91656	0.3
83.01392	1.4
85.02945	2.7
87.00914	0.3
87.04517	0.3
89.02431	1.9
95.01405	1.0
95.05025	0.2
99.00903	0.6
99.04475	0.3
101.02438	3.5
111.00967	0.3
113.02442	6.3
119.03521	0.9
139.07664	0.3
143.03514	0.4
161.04585	1.4
179.05573	0.3
207.49307	0.2
215.59949	0.3
321.24344	0.6
417.26724	0.3
465.28500	4.4
483.29565	3.5
484.29892	0.3
525.30609	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55173	0.5
59.01376	3.7
61.98831	100.0
70.33372	2.2
71.01387	1.3
95.02210	0.6
99.21391	0.5
99.57090	0.5
115.00402	1.0
123.00924	0.9
133.01472	1.0
135.04613	0.8
136.01701	1.6
149.06107	2.2
151.04030	2.1
177.01883	0.6
213.09248	0.7
294.09244	0.7
306.83386	0.6
312.10013	0.8
327.12372	12.0
357.13458	1.6
387.14645	1.0
408.14743	1.1
525.25360	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97565	1.2
59.01379	100.0
60.01705	0.4
60.77204	0.4
61.84072	0.3
69.53200	2.4
69.53593	0.7
71.01388	4.6
73.02945	7.1
79.58850	0.3
83.01376	2.5
83.06136	0.7
85.02963	0.8
86.75359	0.3
88.54887	0.4
89.02457	0.8
92.05075	0.4
95.01446	0.5
98.20625	0.8
101.02444	5.3
113.02449	2.9
143.03522	0.6
149.04605	0.6
161.01794	3.8
161.04605	1.3
170.03932	13.8
171.04324	0.5
197.93932	0.3
204.02345	4.2
205.03171	3.0
247.07840	29.3
248.08263	1.9
299.16031	0.6
439.15402	9.9
439.20953	0.6
440.15793	0.6
452.07593	0.4
524.20758	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
57.75408	0.4
59.01373	0.3
61.98832	100.0
63.43135	0.3
64.56766	0.3
69.18273	3.4
89.02492	0.3
113.43983	0.4
115.00394	0.4
179.63467	0.4
258.99219	0.4
300.16122	1.7
301.16443	1.4
302.16714	1.3
303.16989	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98820	3.1
67.47297	1.0
69.41118	5.8
69.41545	2.7
70.54124	1.0
71.01380	12.8
73.02942	5.8
74.95663	1.1
83.01398	2.7
85.02940	3.9
89.02451	5.3
92.54603	1.2
95.01382	1.5
101.02444	6.6
113.02467	6.5
119.03508	2.6
156.04543	1.0
161.04623	2.6
213.16475	2.3
229.64227	1.1
252.65437	1.1
277.18063	15.6
291.66431	1.2
301.18039	3.2
315.32367	1.0
354.73645	1.4
465.28543	4.9
481.24350	6.1
482.24118	1.4
483.29578	2.3
525.29877	1.3
527.28412	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.8
57.03442	0.7
58.00589	0.4
58.07397	0.4
59.01378	100.0
60.01730	0.5
61.98836	1.1
70.18382	0.4
70.27312	1.6
71.01379	9.6
72.99319	0.4
73.02946	3.3
83.01395	1.7
85.02947	5.1
87.00921	0.5
89.02438	5.7
90.74583	0.4
91.33817	0.4
95.01409	1.6
95.05023	1.0
97.02934	1.0
99.00902	1.0
101.02448	5.3
109.06588	2.1
113.02440	11.1
113.45476	0.4
119.03491	1.9
122.08645	0.4
131.03546	0.4
135.04596	0.5
135.08174	2.7
137.06107	1.2
143.03525	0.8
161.04602	1.8
179.05617	1.5
201.05449	0.4
226.21651	0.4
229.68036	0.5
283.20648	0.6
301.21829	0.6
319.22696	1.5
354.05328	0.4
356.50027	0.5
363.76218	0.4
405.97610	0.4
463.26889	4.0
464.27454	0.4
481.27902	2.7
523.28223	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
57.94384	2.2
58.90150	2.3
59.01380	3.5
61.98831	100.0
69.62148	4.4
69.62545	9.2
78.95892	6.4
101.92999	2.1
115.03979	9.1
116.04332	3.3
125.09732	2.2
138.27994	2.4
196.89442	2.8
255.23152	3.6
256.23550	3.3
262.43417	2.3
436.60370	2.5
453.70163	2.8
523.17700	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1768
Annotation	Xanthorrone
Peak:m/z	Relative Intensity
61.98827	2.8
70.84657	2.2
71.01376	1.4
78.95902	68.4
79.89906	1.1
99.92582	15.6
100.93375	1.4
110.98528	12.1
115.92076	28.8
116.92856	15.6
135.05418	0.9
150.73912	1.0
150.98021	1.5
155.95177	1.7
163.89873	1.3
164.99580	2.1
178.88434	16.5
179.87605	1.6
179.89214	36.8
180.90045	10.8
193.90761	42.6
194.87886	1.5
194.91566	21.1
196.89479	43.2
218.91577	1.1
219.92462	1.0
226.90443	1.1
236.92628	2.1
248.92625	3.5
249.93376	3.9
250.94234	1.8
255.23283	8.4
266.93658	4.3
295.69003	0.9
321.65146	0.9
355.16125	1.5
371.15836	1.1
411.18451	6.7
475.15469	3.1
488.26697	1.2
505.16660	2.0
523.17676	100.0
524.17944	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	523.291
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94943	0.1
59.01380	0.9
61.98835	0.3
69.19978	0.6
69.20406	0.9
91.05525	0.4
93.83260	0.2
107.05033	1.1
117.03471	0.4
133.02945	0.7
134.03757	3.4
135.04526	92.8
136.04839	2.1
152.96233	0.1
161.02460	1.7
170.26349	0.2
179.03494	100.0
180.03828	3.0
215.20479	0.2
319.23004	0.2
338.26288	0.2
344.83124	0.2
449.25580	0.2
523.29053	12.7
524.29504	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07927	0.3
55.01884	0.9
56.32827	0.3
57.03450	1.4
58.00609	0.5
59.01380	100.0
60.01726	0.7
69.17503	1.0
69.17915	2.0
71.01379	7.7
72.99336	0.4
73.02944	2.4
83.01389	2.1
85.02953	4.9
85.06619	0.7
87.00900	0.9
89.02443	1.5
95.01406	0.9
98.01518	0.3
98.19926	0.7
99.00899	1.4
101.02442	4.7
110.05914	0.4
113.02448	6.0
113.03165	0.5
119.03539	0.4
119.73615	0.3
121.89079	0.3
125.54690	0.3
127.80320	0.3
143.03514	0.4
154.48865	0.3
161.04594	1.4
173.06143	0.4
178.85510	0.3
201.05687	1.1
249.18758	0.6
319.22937	1.0
378.64554	0.3
393.22717	0.8
463.27057	10.6
463.33527	0.6
464.27966	1.1
481.28082	7.9
482.28387	1.2
523.29327	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79874	0.4
57.19609	0.4
58.66782	0.3
59.01378	6.1
61.98829	100.0
71.01377	1.9
73.02949	0.9
76.31519	0.4
85.02951	0.7
87.00899	0.6
89.02462	0.8
101.02467	1.4
113.02467	0.7
115.00407	0.6
133.01424	0.4
135.04539	0.5
161.04604	0.5
198.55499	0.4
211.21207	0.5
327.16394	0.4
345.17410	0.5
428.22214	0.4
435.97321	0.4
522.33661	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10910	0.3
59.01379	2.1
61.98830	100.0
63.71813	0.4
69.33655	1.9
69.34060	0.9
71.01407	0.4
71.27872	0.3
73.83738	0.3
83.37756	0.3
89.02450	0.6
114.77478	0.3
119.05030	0.7
151.21057	0.4
179.77786	0.4
192.16365	0.3
202.38371	0.4
276.05344	0.3
300.16272	0.5
348.97812	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
71.01382	0.7
77.78938	0.9
78.95912	1.0
101.97981	0.8
133.02960	3.5
134.03764	2.4
135.04517	9.2
137.02448	1.8
161.02444	7.7
178.02699	1.4
179.03528	3.7
208.36624	0.7
209.74506	0.7
459.27499	33.9
460.27844	2.6
532.55920	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50853	1.2
53.13102	1.4
59.01386	1.6
59.17701	1.2
61.98833	100.0
71.35304	2.4
74.71920	1.2
88.04017	1.3
107.19227	1.2
133.02931	2.7
134.03748	2.5
135.04492	6.3
137.02469	2.1
146.73465	1.2
161.02489	6.2
179.03429	4.2
199.74640	1.3
225.57805	1.4
234.02420	1.5
366.84601	1.4
459.27493	32.3
460.28180	2.7
504.34125	1.6
517.31274	1.5
522.34796	1.5
534.33069	1.2
545.76794	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.3
61.98830	100.0
62.21292	0.3
62.33250	0.3
69.30550	1.6
69.30974	0.7
71.01379	0.7
96.95994	1.2
101.02497	0.4
120.67955	0.2
133.01472	0.4
135.04521	0.4
137.02469	0.5
172.60022	0.2
175.06441	0.3
209.04581	0.4
380.61642	0.3
382.22488	0.3
522.21161	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	6.6
60.58162	0.6
69.03448	0.6
69.96611	2.8
86.75460	0.7
98.20575	0.9
135.04466	0.9
141.17393	0.5
198.09280	1.0
214.08743	13.7
215.08893	0.7
240.10413	0.7
268.13437	13.8
269.13776	0.7
288.42758	0.6
300.16031	100.0
300.36697	0.6
301.16440	6.2
360.99066	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.1
61.38020	0.4
61.98830	100.0
71.01372	0.9
71.51427	0.7
89.02444	0.5
101.02460	0.5
115.00411	0.6
135.04572	0.7
157.90286	0.5
161.04675	0.6
163.25597	0.4
299.54056	0.5
323.00262	0.5
350.34814	0.5
522.21747	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	12.9
61.98830	100.0
66.74321	0.6
69.25790	4.5
71.01383	3.7
73.02946	4.2
76.03130	0.6
83.01392	1.3
85.02972	0.9
89.02467	1.0
101.02438	5.3
109.39412	0.6
113.02471	2.1
119.03522	1.7
143.03525	0.9
146.51875	0.7
149.04573	0.8
161.04552	2.0
213.05600	0.7
255.06734	1.4
267.10498	0.6
271.59714	0.6
458.75989	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12668	0.9
59.01380	52.7
61.98832	100.0
69.15954	5.4
69.16376	3.7
71.01382	12.6
73.02943	3.0
78.02293	0.8
83.01427	1.1
83.11602	0.8
85.02946	3.7
87.00871	1.4
88.97399	0.8
89.02437	6.3
96.95997	1.0
98.19868	1.7
99.00883	0.9
99.79934	0.8
101.02440	5.5
102.02801	1.1
108.08481	0.9
113.02431	5.2
115.00388	1.2
116.92808	1.1
119.03504	3.6
133.01436	0.9
134.03726	1.0
137.02502	0.8
161.04526	2.4
194.86475	0.8
201.45830	0.9
229.18024	1.2
289.92953	0.8
327.15909	2.9
345.17072	1.9
359.27866	3.2
360.28232	3.6
373.22144	1.2
391.67569	0.8
415.23239	3.0
431.26483	1.3
521.33289	5.6
522.27002	0.9
522.33868	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	522.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98834	47.9
67.05153	4.6
70.97631	9.5
71.01376	25.4
73.02942	4.9
79.05555	5.6
80.05075	10.3
85.02939	7.1
86.02171	4.3
87.00887	11.3
89.02457	8.9
101.02441	11.5
106.06637	22.8
113.02430	10.8
120.67516	4.6
122.06105	14.6
127.33733	5.0
135.75160	5.4
136.18152	5.1
137.42007	4.2
148.04034	9.7
153.47646	4.8
161.04561	5.2
174.72667	4.6
181.67163	4.9
188.05293	3.8
203.07057	4.3
211.08792	19.7
238.08780	9.6
247.07857	5.9
267.06583	11.3
281.08200	9.0
294.12881	4.4
295.09793	7.7
296.10669	5.6
340.09448	19.8
355.11862	57.2
359.28125	8.7
385.66602	4.6
388.13275	4.9
396.40747	4.8
416.16235	22.9
430.37445	4.9
460.15112	12.1
462.31738	5.8
521.33270	13.8
522.15216	18.2
522.33850	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	522.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01838	1.0
56.42237	1.2
56.59016	0.9
57.03449	1.1
57.45837	1.1
57.97559	5.8
59.01380	80.2
60.01707	1.4
61.98822	8.3
69.03459	7.4
71.01385	25.4
71.51975	1.1
71.52419	1.3
72.99312	1.8
73.02943	6.3
75.00860	1.6
83.01371	4.3
84.51505	1.1
85.02949	4.7
87.00878	100.0
88.01217	1.5
89.02450	3.5
92.05048	4.7
95.01388	2.1
97.02936	1.8
99.00872	3.0
101.02437	9.4
105.03787	2.4
111.00883	2.8
113.02440	6.0
114.05599	2.3
118.98039	2.5
119.03477	1.2
122.10036	1.1
125.02426	1.2
129.02000	1.5
133.01410	1.1
133.06578	1.3
135.04503	1.2
136.02303	6.6
141.01958	2.7
147.08138	1.2
161.01785	6.6
161.04543	3.1
170.03935	27.1
171.09612	2.9
177.10368	1.6
187.11272	1.8
199.23450	1.0
202.05663	1.4
203.06534	7.4
204.02374	8.7
205.03120	7.0
221.07565	9.2
226.89221	1.0
231.10318	1.5
233.07533	3.7
235.09109	1.9
244.90730	1.1
245.06244	3.3
247.07845	66.7
248.08183	2.6
251.08723	1.5
256.87119	1.1
271.11267	2.1
275.09174	6.6
277.08881	1.5
305.09750	2.3
320.14343	41.5
321.14676	1.9
343.13107	1.1
360.28162	1.7
377.49350	1.3
390.14691	2.2
395.12686	1.4
437.13925	17.5
480.17920	2.1
521.33112	4.1
522.19116	30.1
522.33521	5.1
523.19336	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	521.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46923	0.8
54.92571	1.0
55.01866	3.0
57.03430	3.4
57.45788	0.7
58.00584	3.3
59.01375	80.0
61.98827	10.8
70.85797	2.4
71.01377	55.1
72.99303	3.3
73.02937	16.2
75.00863	1.3
78.95894	1.1
83.01389	6.6
85.02943	17.4
87.00866	3.9
87.04504	1.0
88.55185	0.9
89.02441	32.0
95.01375	4.1
96.96004	2.8
97.02940	1.2
97.06597	1.1
99.00877	3.9
101.02442	36.1
109.02959	1.0
113.02443	21.8
115.00355	1.8
119.03500	12.3
125.02450	1.6
129.01917	1.0
131.03513	1.6
133.01448	3.4
135.04520	3.0
143.03455	3.3
149.04507	1.4
159.02997	2.5
159.04475	0.9
159.10243	3.0
161.02406	1.2
161.04546	9.7
171.09184	1.5
173.11829	1.9
179.03537	1.1
179.05620	7.4
241.13429	2.4
270.13492	0.9
273.16086	1.3
285.04529	1.0
299.13922	1.2
299.25821	2.1
317.11798	1.4
317.15030	6.2
329.26706	1.0
341.26904	1.2
359.27994	39.3
360.28400	2.0
405.10086	1.9
521.33368	100.0
522.33783	10.0
534.42505	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64866	1.0
55.01873	4.8
57.03437	5.4
57.70435	1.0
58.00597	3.0
59.01381	72.6
61.98833	13.5
69.03485	0.9
69.42970	6.8
71.01381	63.8
72.99323	5.8
73.02947	16.8
73.04144	0.9
73.97820	1.1
74.02301	1.0
75.00887	1.3
83.01392	5.7
85.02950	21.9
87.00858	5.3
87.04531	1.5
89.02444	41.4
93.07109	1.7
94.13074	0.9
95.01408	5.8
95.64984	0.9
97.02941	1.1
99.00848	4.7
99.08163	1.4
101.02441	42.1
111.08192	1.6
113.02454	23.7
119.03510	22.1
123.08105	1.0
125.02466	1.6
131.03482	3.0
133.01408	2.2
134.06114	1.8
135.04520	3.3
141.65350	1.1
143.03481	4.7
148.69234	1.1
149.04510	1.5
155.14459	1.9
159.02945	3.0
159.04594	1.2
161.04539	12.9
179.05594	8.0
180.25995	1.0
183.13869	2.5
201.71486	1.1
213.14969	4.7
227.16521	4.9
229.18056	12.4
259.45364	0.9
273.12607	1.3
329.26843	2.3
336.60162	1.1
341.27109	2.3
359.28015	48.5
360.28250	2.2
477.20911	1.9
477.27216	3.8
503.17102	1.5
521.33380	100.0
522.33759	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	521.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.6
57.03442	4.1
58.00594	3.1
59.01381	87.0
61.98830	22.2
66.79455	1.0
70.96680	1.0
71.01381	66.3
72.99311	4.1
73.02948	16.5
75.00868	1.4
78.95896	2.2
83.01385	7.2
84.16182	1.1
85.02947	20.8
87.00881	4.1
89.02448	32.8
95.01407	4.8
96.95998	3.2
96.97028	1.3
97.06605	1.1
98.20648	3.3
99.00883	3.9
101.02446	41.4
104.32039	1.3
108.08187	1.3
109.02898	1.2
113.02451	21.4
113.03181	2.1
115.00387	3.5
119.03500	18.0
125.02426	2.3
131.03543	1.9
133.01450	5.6
135.04530	4.1
143.03497	4.1
149.04570	2.1
159.02965	2.0
159.10245	2.8
161.02499	1.9
161.04572	11.1
173.11838	1.9
177.02003	1.5
179.03502	2.1
179.05626	7.5
187.88242	1.3
199.07753	1.5
218.78503	1.2
227.29185	1.3
241.13628	1.3
257.48547	1.2
273.16827	1.2
273.20496	1.1
299.25885	2.7
317.15042	7.1
327.13525	2.0
341.27234	2.6
359.28018	37.3
360.28497	2.0
368.09506	1.3
405.10040	2.3
407.39413	1.3
461.31390	3.1
521.33417	100.0
522.34015	8.4
531.93042	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3119
Annotation	20-Hydroxyecdysone 2-acetate
Peak:m/z	Relative Intensity
57.03447	2.8
59.01368	4.4
61.98825	1.6
65.51083	1.0
71.01371	2.4
71.31042	1.0
71.31403	1.1
83.05026	2.1
87.00881	1.6
97.06597	3.2
99.04532	2.1
108.36009	1.0
111.04511	1.8
111.08168	1.8
123.08176	5.9
128.20091	1.2
133.02975	7.6
134.03716	3.8
135.04526	21.8
135.08153	1.3
137.02458	2.4
137.06079	1.4
137.09706	1.9
139.07671	1.3
141.09265	1.6
149.06027	3.2
150.05684	1.4
150.06868	26.2
152.08383	1.1
152.99532	2.3
155.10703	1.0
159.91782	1.0
161.02440	29.9
162.06866	59.8
163.07651	9.5
164.08380	3.6
174.06732	1.0
176.08398	6.4
177.09210	20.2
178.09850	1.4
179.03510	9.1
179.10742	3.3
201.11279	2.9
235.35548	1.3
255.18021	1.3
261.18506	3.0
272.17703	1.5
279.19559	1.3
285.20532	2.9
317.21188	4.2
343.21225	42.4
344.21356	1.5
363.42566	1.1
385.24109	1.2
429.22684	8.6
442.26981	1.8
447.23843	5.7
503.30103	27.5
504.30307	2.2
508.25937	1.1
521.31891	100.0
522.31903	9.6
535.87103	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51190	0.6
59.01382	2.9
61.82633	0.5
71.01370	1.0
74.87067	0.5
77.03954	1.1
78.95915	1.5
80.96529	1.1
89.02435	1.0
91.03992	1.0
93.03539	0.5
95.05011	2.7
102.65580	0.6
105.03463	11.9
106.03792	0.7
108.72587	0.5
111.45377	0.6
113.44667	0.5
117.03470	0.9
118.11637	0.6
121.02988	0.8
122.90299	0.6
123.04552	0.9
132.02156	4.6
133.02959	43.0
134.03757	10.7
135.04547	4.7
137.02415	3.7
139.04030	1.3
142.78226	0.6
147.04504	1.3
148.05310	4.0
149.02495	0.6
149.06093	1.4
150.03230	1.0
158.07341	1.2
160.01665	26.2
161.02440	19.5
161.06079	4.2
162.02980	1.0
171.08185	0.6
175.03998	66.6
176.04346	1.9
177.01857	2.8
178.02670	2.9
179.03503	3.0
193.05032	5.4
194.02185	0.9
196.89432	0.6
219.57126	0.6
233.08241	1.5
247.09744	2.3
261.11316	1.7
271.13403	0.9
271.22787	8.3
275.12772	1.6
289.14429	2.0
303.15875	1.6
317.17535	1.5
317.80246	0.6
327.19705	1.3
331.19098	2.1
345.20612	4.5
347.25818	1.6
359.22040	1.3
361.27448	3.7
376.73935	0.6
387.25516	1.1
388.25873	0.6
398.35443	0.6
415.24890	9.7
429.26443	25.6
430.26544	1.8
433.25934	3.8
447.27493	44.3
448.27979	4.2
506.29031	3.6
521.31183	100.0
522.31421	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.6
62.35249	0.4
63.77087	0.4
69.19904	4.1
70.69380	0.4
71.01388	0.6
77.03957	1.0
80.98151	0.4
89.02448	0.7
89.03974	0.5
91.04012	1.2
95.05038	1.6
105.03463	10.4
117.03445	0.8
121.02947	1.4
123.04550	0.7
125.08838	0.4
132.02164	4.3
133.02957	38.5
134.03752	10.1
135.04546	3.6
137.02457	3.1
139.03970	1.0
147.04526	1.6
148.05328	3.1
149.02411	0.7
149.06044	1.1
150.03247	0.5
158.07326	1.2
160.01659	25.0
161.02441	20.5
161.06087	4.3
161.94087	0.4
162.03075	1.0
171.08127	0.5
175.03995	61.8
176.04359	1.2
177.01936	2.9
178.02728	2.6
179.03517	3.0
193.05057	5.2
194.02190	0.6
204.11549	1.2
233.08145	1.6
247.09605	2.3
257.12027	0.6
260.17648	0.6
261.11292	1.9
271.22797	9.2
275.12897	1.7
285.14948	0.6
289.14297	2.1
303.15991	1.5
313.18076	0.8
317.17569	1.5
327.19598	1.3
331.19165	2.1
341.21265	0.5
345.20612	4.5
347.25906	1.5
359.22183	1.4
361.27368	3.3
387.25296	0.8
415.24890	8.8
429.26416	23.7
430.27216	2.0
433.25919	3.4
447.27490	40.6
448.27908	3.5
485.57401	0.4
506.28915	3.5
521.31158	100.0
522.31580	10.3
532.93195	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97428	0.3
61.98827	0.7
66.91113	0.3
68.23476	0.3
70.92488	0.7
71.01384	0.6
76.06546	0.3
78.95911	0.6
80.96554	0.3
93.03465	0.5
102.00011	0.3
106.04226	0.6
121.02958	1.2
125.09723	0.8
130.81364	0.3
132.02161	0.4
133.02962	2.0
134.03743	43.3
135.04115	1.1
137.02438	7.1
139.03999	2.5
149.06084	15.9
150.03195	1.1
160.01666	1.4
175.04005	1.3
178.02707	31.2
179.03038	0.6
187.09686	0.4
193.05048	100.0
194.05438	2.8
255.23305	0.7
277.21561	0.6
429.26352	0.6
463.21439	1.0
521.18561	0.5
521.31073	9.7
522.31299	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21663	0.6
53.24903	0.7
59.01371	2.7
61.98803	1.0
69.54520	4.3
71.01380	1.8
77.03964	1.2
78.95887	2.1
80.54639	0.6
80.96539	1.1
89.02398	0.6
89.03965	0.7
91.03997	0.7
95.05024	2.5
105.03459	12.3
115.00341	0.8
115.92107	0.9
117.03457	1.0
121.02966	1.2
123.04470	0.9
132.02159	5.0
133.02959	42.0
134.03757	10.7
135.04573	3.8
135.05424	0.6
137.02412	3.5
139.04025	1.5
147.04506	1.4
148.05290	3.6
149.06078	1.4
158.07373	1.5
160.01662	30.3
161.02443	21.4
161.06078	2.8
162.03125	1.2
171.08131	0.9
175.03999	73.1
176.04324	1.8
177.01947	3.5
178.02681	2.4
178.88326	1.0
179.03444	2.6
179.89215	1.2
189.05521	0.8
193.05067	6.0
193.90723	1.4
196.89503	1.7
204.11411	1.1
214.13667	0.8
233.08176	1.3
247.09705	2.3
257.11923	0.8
260.17709	1.1
261.11246	1.8
271.22803	10.5
275.12863	1.1
289.14368	1.9
303.16000	2.2
313.17783	0.8
317.17538	2.4
327.19470	1.3
331.19147	2.2
345.20703	5.2
347.25919	2.1
359.22348	1.3
361.27539	2.9
373.23743	0.9
386.36267	0.7
387.25336	1.1
404.05280	0.7
415.24878	10.4
429.26398	26.9
430.26691	2.5
433.25940	2.5
443.83008	0.7
447.27502	47.6
448.28049	3.9
463.22284	0.7
506.28751	3.9
521.15375	2.4
521.31158	100.0
522.31494	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	521.2027
Annotation	trans-Dihydrodehydrodiconiferyl alcohol-9-O-beta-D-glucoside
Peak:m/z	Relative Intensity
55.01876	1.7
56.28005	1.3
57.02306	1.3
59.01386	24.5
61.98827	3.8
65.17587	1.1
68.18031	1.3
70.53703	3.1
70.54066	1.6
71.01378	15.6
73.02955	3.9
78.65010	1.1
79.21889	1.1
83.01388	4.6
85.02953	7.8
87.00883	4.2
89.02451	3.9
95.01373	1.9
99.00884	2.4
101.02440	12.0
113.02473	2.7
119.31500	1.2
121.02943	5.4
128.87901	1.6
136.01718	2.1
145.02928	2.0
147.04468	1.8
151.03992	1.9
159.04546	2.6
240.04271	2.2
255.06581	2.5
267.06528	2.2
268.07425	5.1
269.08206	4.1
270.08990	1.6
280.07455	2.3
281.08200	11.6
282.08835	5.9
283.09775	7.5
293.08194	3.8
295.09677	4.7
296.10269	2.4
297.11325	1.7
299.09305	4.5
311.09308	4.9
312.10086	2.1
313.10724	1.6
314.08276	2.2
314.11584	8.5
315.12259	3.3
325.10535	1.4
326.11533	11.3
327.12311	7.3
329.13950	9.4
341.13892	11.7
343.11832	2.0
353.21292	1.3
355.11841	4.7
357.13144	1.5
359.14093	1.5
385.15097	2.4
461.14133	1.2
473.14395	6.4
476.17047	8.7
488.16785	8.1
491.11642	1.9
491.19211	92.5
492.19583	9.6
503.19220	100.0
504.19455	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	521.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21206	2.9
59.01357	7.0
60.75139	3.0
60.99297	18.4
61.98836	5.0
80.21593	2.8
88.98805	100.0
101.54440	3.2
116.90273	2.9
120.29108	2.7
138.61896	3.0
153.28510	3.3
223.07785	3.0
223.78452	2.8
334.71201	3.1
521.34625	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.3
59.01381	7.5
61.69617	0.6
61.98825	2.6
62.93962	0.7
70.07743	1.6
70.08141	1.0
71.01384	3.1
73.02950	2.2
82.50359	0.6
83.01402	0.7
85.02940	0.7
89.02425	0.8
92.91039	0.6
94.19324	0.6
98.19972	0.7
101.02438	1.5
110.90680	0.8
133.02956	1.1
133.06651	0.7
135.04501	1.3
135.08134	3.3
143.49559	0.8
161.02412	0.7
217.15956	1.2
226.24869	0.7
229.35425	0.7
257.19000	3.7
270.45798	0.8
299.20248	0.7
317.21191	100.0
318.21494	7.0
521.14661	1.0
521.27338	2.7
525.82953	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	6.3
70.25665	5.7
71.01372	5.5
74.61250	1.5
76.81249	1.4
84.40317	1.6
87.09261	1.4
87.87296	1.3
109.02946	100.0
109.06603	2.8
110.03229	2.3
110.50040	1.8
111.69212	1.8
115.00382	11.3
119.04970	3.2
121.02927	3.1
133.01425	39.5
135.04523	13.1
137.06068	12.2
163.03966	2.2
179.03500	13.7
181.05023	6.8
222.62053	1.4
225.04037	23.0
293.49225	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1661
Annotation	6-Feruloylcatalpol
Peak:m/z	Relative Intensity
59.01382	4.5
69.32565	8.6
79.70862	1.0
81.49313	1.0
93.03472	1.4
98.19849	1.7
107.08410	1.0
109.02955	3.1
109.79124	1.1
121.02937	11.1
123.04536	2.4
135.04526	5.4
140.10448	1.0
141.75281	1.0
145.02945	3.2
146.03767	1.3
148.05296	3.5
163.07597	2.1
192.75137	1.0
195.06604	1.3
225.05467	1.6
225.09129	1.2
226.06181	1.7
237.05447	2.2
253.05045	1.4
253.08670	2.6
254.05734	5.6
255.06505	2.8
265.08591	1.8
266.05774	2.2
267.06586	3.9
268.07367	1.4
269.08151	31.0
270.08817	10.1
281.08179	30.8
282.08829	7.6
285.11328	2.6
296.06989	2.6
311.09244	18.6
314.07864	3.8
317.44424	1.2
323.09299	2.4
326.07767	6.3
329.10266	100.0
330.10724	5.0
341.10275	58.4
342.10706	2.3
359.11334	21.6
360.11780	1.9
371.11368	3.0
383.11514	1.5
491.15536	20.8
492.16046	2.4
503.15533	3.2
521.16406	8.5
522.16681	1.5
545.11475	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70279	1.1
57.22071	1.3
59.01382	76.6
61.01788	1.3
61.98837	7.6
69.03428	1.2
71.01382	22.3
72.37766	1.3
72.99325	1.8
73.02949	25.7
82.20409	1.3
83.01373	7.2
84.00909	11.2
85.02938	6.8
86.00101	5.7
87.00876	6.2
88.29823	1.2
89.02445	5.6
94.06615	2.0
95.01399	2.7
98.19920	2.7
99.00872	1.6
101.02438	20.1
101.99545	1.7
106.06630	3.8
107.25475	1.4
111.00872	6.2
113.02467	13.6
113.98264	1.3
115.00350	3.8
123.04520	1.5
131.12904	1.3
141.01910	7.8
143.03543	2.2
145.06595	11.2
149.06017	3.2
150.05602	2.0
155.07120	5.4
159.04475	1.3
159.08098	1.6
160.05295	41.6
161.04541	4.5
161.06026	7.3
161.09698	2.0
163.07602	13.1
177.09201	6.8
182.08127	2.6
186.12871	2.7
198.07674	10.3
205.08569	1.7
205.10265	2.4
223.11256	43.0
224.11667	2.8
230.11871	2.3
241.12413	7.9
245.15485	2.8
255.11342	4.3
256.09732	2.1
272.14124	6.9
272.16666	1.6
273.12057	2.9
273.14951	54.9
274.10751	4.9
274.15305	3.2
284.16550	2.8
298.14532	3.5
300.16025	3.6
302.17609	4.0
316.15521	100.0
317.11414	3.1
317.15936	5.6
318.17017	2.2
327.15759	1.9
344.18753	2.8
445.18604	13.3
460.19867	3.6
477.21283	6.2
478.21014	4.3
520.21838	30.5
520.30347	1.8
520.32703	1.7
521.22736	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88441	0.6
53.10693	0.6
59.01374	12.8
59.76912	0.6
61.98830	100.0
63.48889	0.7
69.22260	1.8
69.22677	4.5
71.01373	4.4
73.02946	8.0
74.80433	0.6
77.51955	0.6
83.01398	1.9
85.02946	1.1
89.02439	0.9
89.61704	0.6
99.65048	0.6
101.02431	6.8
113.02471	2.6
143.03590	0.7
143.58998	0.6
149.04552	1.5
158.29889	0.8
161.04570	2.2
366.15555	0.6
520.11780	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01109	5.1
59.01382	76.6
59.42888	3.2
61.98832	18.6
71.01382	21.2
73.02947	28.6
76.73330	3.2
83.01409	5.0
84.00880	10.6
85.02930	5.8
86.00088	7.3
87.00863	7.5
89.02444	5.4
95.01362	5.4
101.02448	23.9
111.00915	7.7
113.02422	11.5
115.00376	4.9
115.21671	3.0
118.37125	3.3
141.01938	7.7
145.06563	10.1
147.86024	3.1
155.07129	5.3
160.05301	49.1
161.04521	4.4
161.05952	8.0
163.07613	12.5
177.09201	6.4
198.07718	6.9
205.10248	4.6
217.03670	3.9
223.11259	42.4
228.71828	3.1
241.12350	8.6
245.15402	6.1
272.14105	7.1
273.14932	52.3
284.16394	5.5
302.17380	3.7
316.15543	100.0
317.15793	5.8
318.16940	4.5
445.18497	14.6
477.21060	11.1
520.21960	36.2
520.29456	4.6
520.32233	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	520.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70440	1.2
59.01376	36.1
61.98829	100.0
69.42106	1.5
69.42510	6.2
71.01379	5.8
73.02958	1.6
74.93186	1.2
85.02954	2.1
89.02445	2.8
91.43285	1.1
101.02444	4.0
113.02470	1.4
115.00352	1.5
119.03487	1.9
125.02467	1.3
127.10088	1.0
133.01408	1.7
144.50334	0.9
154.65073	1.2
161.04630	1.2
209.11798	3.6
221.43181	1.0
226.39420	0.9
232.93320	1.0
270.58667	0.9
292.31348	1.1
359.27942	1.3
398.68341	1.2
413.21964	2.2
520.32770	1.1
521.33746	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05947	1.0
50.46593	0.9
52.33205	1.0
59.01377	36.6
60.90663	0.9
61.98829	100.0
62.65721	1.0
67.67641	0.9
69.22318	5.2
69.22741	4.3
71.01383	13.7
71.13958	0.9
72.99325	1.2
73.02955	5.7
74.05798	1.0
75.00837	1.2
83.01357	1.6
85.02952	5.6
89.02450	6.4
95.01380	1.9
97.87263	1.2
101.02445	11.0
103.48550	1.3
113.02438	15.8
115.00479	0.9
115.38422	1.2
119.03470	2.3
127.30790	1.0
131.03479	2.0
131.55786	1.1
133.01411	1.6
143.03450	1.8
149.04550	1.4
161.04533	4.5
181.12654	1.0
181.44403	1.1
183.01067	1.6
243.12306	1.0
260.45905	1.0
289.51013	0.9
316.62357	0.9
347.94858	1.1
460.26974	1.0
520.22791	3.2
520.28955	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	1.0
59.01380	62.4
61.98831	100.0
70.67251	1.5
70.67592	2.4
71.01380	6.5
82.04997	1.0
85.02935	2.2
89.02463	1.8
92.73627	1.0
101.02451	4.4
113.02420	3.6
124.60123	1.1
133.01401	1.6
135.04558	1.7
155.08949	1.1
161.04660	1.4
271.06223	1.2
272.06454	2.4
299.18488	1.3
353.19586	2.8
371.20651	4.3
398.86334	1.2
413.21841	7.4
520.23096	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	54.0
60.01699	1.7
61.98832	100.0
69.47352	3.3
69.47775	4.2
71.01392	5.1
73.02946	4.1
80.44837	1.2
83.01368	2.2
85.02943	2.8
85.91850	1.1
89.02465	2.4
98.19854	1.9
98.52910	1.0
101.02448	4.5
113.02436	3.4
114.91219	1.0
119.05021	1.4
128.84976	1.1
132.59204	1.0
135.04510	1.5
151.00354	1.5
161.04607	2.0
182.56317	1.1
185.49957	1.2
271.06079	2.1
272.06516	2.5
317.19812	2.0
353.19772	3.0
371.20731	4.1
372.48325	1.1
413.21722	5.1
476.12595	1.4
520.22815	2.1
521.22443	1.5
549.15894	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	43.1
61.50534	1.0
61.98829	100.0
70.26718	2.1
71.01377	5.5
73.02932	2.2
75.00835	0.9
83.01363	2.4
85.02958	2.6
89.02443	2.2
101.02435	4.6
104.88807	1.0
113.02472	1.7
115.00363	1.2
118.17497	1.1
119.03533	1.5
160.43361	1.3
161.04524	1.1
209.11806	2.9
221.01262	1.1
413.21548	1.5
429.24719	1.5
451.74490	1.2
521.33063	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.7
59.01379	100.0
60.01712	0.8
60.66681	0.6
61.98830	26.7
69.57378	0.6
71.01391	8.1
72.99345	0.7
73.02953	2.9
83.01420	0.7
85.02953	3.5
87.00905	1.1
87.91658	0.6
89.02453	3.0
94.81744	0.7
95.01407	1.1
101.02455	4.3
109.09249	0.6
113.02457	6.6
119.03528	1.3
123.00917	0.9
133.01427	0.7
135.04552	1.6
161.04578	2.6
180.07976	1.3
223.09637	3.3
232.34663	0.7
262.85126	0.7
268.74451	0.7
315.08896	0.9
315.18185	1.6
325.77689	0.7
355.12103	1.3
399.23889	10.7
417.24850	3.3
459.14380	1.0
459.26105	3.2
489.19406	1.8
501.19568	1.1
519.22778	2.6
519.32104	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	519.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.9
58.02967	2.4
59.01378	100.0
59.10018	1.4
61.98828	6.9
63.11338	1.4
70.61209	1.3
71.01380	41.8
71.51273	1.9
72.99303	2.3
73.02943	3.8
74.02480	4.7
83.01419	1.5
85.02948	8.7
86.02464	2.6
87.00861	3.5
89.02441	61.4
99.05636	6.0
101.02445	25.0
105.03474	1.7
111.05682	1.3
113.02435	21.6
115.00375	2.0
119.03492	22.7
121.02944	2.1
123.04498	2.0
128.03529	10.7
129.03957	1.7
131.03491	4.1
133.01379	1.7
133.02985	1.8
134.03728	4.3
135.04546	3.8
135.05640	2.8
137.02411	3.5
143.03482	6.7
143.04630	14.8
144.05028	2.2
147.80661	1.4
149.02428	1.7
149.04591	2.4
149.05948	1.4
150.20772	1.4
151.03975	1.9
161.04553	7.1
165.05641	1.7
177.01894	3.0
179.04413	1.4
179.05653	19.4
180.04800	2.1
193.05009	2.4
193.54262	1.5
209.04532	4.0
209.50685	1.7
210.08829	3.2
254.07870	7.6
255.08121	4.0
268.07391	2.2
272.08804	5.7
273.09146	5.0
279.06613	1.3
280.07446	3.9
283.09753	8.2
285.07843	1.6
297.17429	1.6
324.06262	1.8
339.08804	8.1
359.11517	4.8
390.17975	2.4
429.64093	1.6
441.24979	8.8
459.25833	2.9
501.21051	2.7
519.22058	23.4
519.32526	5.5
520.22205	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3172
Annotation	Antibiotic BU 2867TA
Peak:m/z	Relative Intensity
52.44703	0.4
55.01880	0.7
57.03450	0.9
58.00576	0.5
59.01378	17.0
60.56314	0.4
61.98844	0.6
71.01382	10.5
72.99313	0.8
73.02949	1.6
83.01396	1.2
85.02952	3.9
87.00877	1.2
89.02447	6.0
95.01411	0.9
98.20654	1.3
101.02438	6.7
113.02441	3.4
119.03522	1.6
135.04564	0.5
137.68735	0.4
139.11328	1.0
141.12854	0.8
150.55672	0.4
151.45020	0.4
185.11815	3.5
214.06303	0.4
266.17432	0.5
339.25360	10.9
340.25723	0.8
357.26486	7.7
358.26971	0.6
477.33310	0.5
501.30927	1.5
519.31750	100.0
520.32141	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04777	3.5
59.01382	100.0
61.98830	20.6
71.01381	35.2
71.52271	2.9
73.02943	12.0
79.02614	3.6
82.82868	3.6
83.01408	3.1
85.02949	8.4
87.00867	4.7
89.02440	26.4
95.01392	5.3
101.02445	21.9
111.13349	2.7
113.02447	16.3
119.03464	10.8
125.02403	3.7
135.04521	5.5
136.01680	3.7
149.04515	3.4
151.03972	3.6
161.04558	6.2
179.05554	5.2
183.01186	9.9
227.11882	8.4
271.10858	4.6
289.39758	3.0
357.17218	4.2
375.27606	3.8
399.20068	13.6
417.21094	7.5
459.22147	5.1
519.22784	43.4
519.30389	5.9
527.81110	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20517	0.8
54.66185	0.9
59.01380	100.0
61.98830	13.9
63.87429	0.8
71.01379	12.7
71.53256	1.0
72.30535	0.8
73.02935	5.8
83.01385	2.5
85.02951	3.3
87.00890	1.2
89.02440	7.7
95.01381	1.8
96.96011	2.3
99.00850	1.1
101.02445	11.2
113.02445	7.5
119.03513	4.9
135.04504	1.9
143.03496	2.4
161.04544	3.7
179.05595	3.4
214.24965	0.8
260.90924	0.8
381.22791	1.1
399.23926	4.0
417.24936	5.3
519.31787	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	519.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04777	3.5
59.01382	100.0
61.98830	20.6
71.01381	35.2
71.52271	2.9
73.02943	12.0
79.02614	3.6
82.82868	3.6
83.01408	3.1
85.02949	8.4
87.00867	4.7
89.02440	26.4
95.01392	5.3
101.02445	21.9
111.13349	2.7
113.02447	16.3
119.03464	10.8
125.02403	3.7
135.04521	5.5
136.01680	3.7
149.04515	3.4
151.03972	3.6
161.04558	6.2
179.05554	5.2
183.01186	9.9
227.11882	8.4
271.10858	4.6
289.39758	3.0
357.17218	4.2
375.27606	3.8
399.20068	13.6
417.21094	7.5
459.22147	5.1
519.22784	43.4
519.30389	5.9
527.81110	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
61.98833	34.6
63.80886	2.8
69.64304	18.0
71.01378	33.3
72.54310	2.5
73.02950	10.7
83.01383	3.1
85.02942	7.1
87.00887	4.2
89.02443	39.9
101.02445	20.6
101.43118	2.5
113.02435	17.4
116.92828	2.7
119.03501	20.8
134.06116	5.2
161.04547	8.5
165.14977	2.7
179.05611	14.3
183.01205	7.9
197.02791	3.1
203.14693	2.7
220.15691	3.0
227.12033	3.4
267.81439	3.0
339.16721	3.1
357.17343	5.5
403.05252	2.6
445.42798	3.1
519.22675	36.7
520.23169	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	519.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.98825	26.7
69.46466	11.1
69.46894	12.5
71.01389	33.3
73.02926	9.2
78.27401	3.6
85.02942	10.1
87.00898	3.7
89.02451	32.9
101.02424	19.3
101.56483	3.4
113.02436	15.3
115.00330	3.2
119.03471	12.1
128.03465	3.7
134.03809	4.1
136.01588	3.7
137.02533	3.5
141.37044	3.3
143.03461	4.7
143.04532	4.7
151.03984	4.1
177.01897	7.5
179.05634	6.1
183.01154	5.6
194.38074	3.0
357.13443	5.8
415.23227	7.9
433.24365	4.4
455.51163	3.4
459.25821	4.9
519.22900	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	519.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52413	7.3
59.01389	16.7
65.76549	7.4
71.01388	39.0
71.51460	12.9
83.14194	9.1
96.96033	13.9
98.10822	7.9
107.05066	10.2
109.02941	16.7
115.00376	36.7
121.02945	16.8
133.01418	73.9
133.02933	18.5
135.04523	100.0
136.05287	9.7
137.06093	11.9
148.33020	8.9
149.02484	10.8
149.06082	13.8
151.03970	24.1
161.02419	22.1
163.03967	14.1
177.01906	18.6
179.03516	12.5
181.05045	81.0
195.06636	22.9
268.03000	7.5
269.72073	8.3
315.08664	47.2
359.08337	8.8
475.14206	11.0
549.69641	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	519.1874
Annotation	(-)-Pinoresinol glucoside
Peak:m/z	Relative Intensity
50.23021	0.6
51.33615	0.6
54.85981	0.6
55.01863	0.7
59.01379	14.9
60.57707	0.8
61.57922	0.7
61.98820	1.8
71.01379	5.8
72.01044	0.7
73.02950	1.6
75.00891	0.7
76.23612	0.7
85.02950	2.3
89.02457	2.2
93.03417	0.8
95.01440	0.8
99.00872	0.8
101.02439	2.8
105.03470	3.4
107.79630	0.7
108.02171	1.6
109.02969	1.7
109.97849	0.6
113.02450	2.4
121.02933	7.1
121.18840	0.6
122.03757	2.8
125.02418	0.8
132.96202	0.6
133.02963	1.6
134.03722	2.0
135.04512	0.9
136.01663	73.1
137.02376	2.7
149.02412	1.0
151.04005	100.0
152.04350	2.1
161.02463	0.8
161.04541	2.2
162.03239	1.6
163.03952	1.3
175.07581	0.7
177.01848	4.8
177.05589	1.0
209.04497	8.6
255.08858	1.1
309.04242	0.7
311.13022	1.2
342.10959	4.7
357.13416	83.2
358.13715	6.0
370.41943	0.8
381.19232	0.8
406.68948	0.8
460.15637	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52669	0.6
59.01377	11.7
71.01378	17.0
71.51578	0.8
72.99300	2.3
73.02939	1.0
78.86488	0.6
87.00873	0.8
89.02444	3.9
91.05531	4.1
93.03490	2.0
95.04996	1.1
96.95997	1.6
98.12598	0.7
101.02472	1.1
105.03447	2.1
106.04317	0.7
107.05032	11.3
109.02949	3.7
109.06592	1.8
115.00370	29.9
119.05025	1.6
121.02949	5.2
123.04498	0.7
133.01433	55.4
133.02927	10.2
134.03795	3.9
135.04526	100.0
136.01663	2.8
136.04871	3.0
137.02487	1.0
137.06067	14.9
138.02007	1.0
140.62540	0.7
149.02475	1.3
149.06041	1.5
150.03154	1.0
151.03998	6.2
161.02437	18.8
163.04018	6.4
163.05287	0.9
165.05574	2.0
175.27180	0.7
176.01157	1.1
177.01952	9.6
178.02713	1.2
179.03506	7.0
181.05055	70.5
182.05417	2.3
193.05075	1.0
209.04507	2.7
253.08856	1.9
297.07700	2.2
315.08731	25.6
316.09229	1.8
341.06567	6.0
357.13406	3.7
359.07700	1.9
385.05231	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52669	0.6
59.01377	11.7
71.01378	17.0
71.51578	0.8
72.99300	2.3
73.02939	1.0
78.86488	0.6
87.00873	0.8
89.02444	3.9
91.05531	4.1
93.03490	2.0
95.04996	1.1
96.95997	1.6
98.12598	0.7
101.02472	1.1
105.03447	2.1
106.04317	0.7
107.05032	11.3
109.02949	3.7
109.06592	1.8
115.00370	29.9
119.05025	1.6
121.02949	5.2
123.04498	0.7
133.01433	55.4
133.02927	10.2
134.03795	3.9
135.04526	100.0
136.01663	2.8
136.04871	3.0
137.02487	1.0
137.06067	14.9
138.02007	1.0
140.62540	0.7
149.02475	1.3
149.06041	1.5
150.03154	1.0
151.03998	6.2
161.02437	18.8
163.04018	6.4
163.05287	0.9
165.05574	2.0
175.27180	0.7
176.01157	1.1
177.01952	9.6
178.02713	1.2
179.03506	7.0
181.05055	70.5
182.05417	2.3
193.05075	1.0
209.04507	2.7
253.08856	1.9
297.07700	2.2
315.08731	25.6
316.09229	1.8
341.06567	6.0
357.13406	3.7
359.07700	1.9
385.05231	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	23.6
59.22174	2.1
61.16014	3.3
69.42596	9.3
69.43024	9.2
71.01385	36.6
72.99303	7.8
73.28070	2.5
87.00876	3.4
88.36262	2.3
89.02440	7.8
91.05541	4.1
93.03445	6.2
96.96011	17.2
101.02449	4.1
104.69616	2.5
105.03474	4.8
107.05020	7.4
109.02949	20.1
113.02419	4.5
115.00378	61.2
119.05029	2.6
121.02953	35.9
133.01430	99.8
133.02901	11.5
135.02966	3.9
135.04523	64.1
136.01654	4.1
137.06131	5.8
149.02391	4.9
149.06049	14.5
149.07095	3.3
151.04013	7.7
161.02480	15.5
163.03992	3.6
165.05550	8.8
175.03989	9.5
177.01848	10.2
179.03485	7.2
179.09570	2.5
181.05066	28.5
187.03909	2.6
191.30814	2.9
209.06157	3.4
217.01408	3.0
225.05417	2.9
227.07144	3.3
239.29585	2.5
240.04260	2.7
242.06117	2.4
243.06566	6.7
253.08701	5.3
254.05847	4.1
255.06650	20.6
267.06622	3.0
269.08179	2.9
271.09680	7.1
295.06134	3.4
297.07678	35.5
309.03986	4.2
315.08759	100.0
316.08948	8.9
323.05563	36.0
341.02539	4.2
341.06647	66.8
358.09372	3.1
359.07675	5.8
384.01996	2.5
519.08716	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	518.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89061	0.6
59.01381	24.0
59.55773	0.5
61.98832	100.0
71.01384	2.1
71.08837	1.0
73.02976	0.7
78.95905	1.2
82.13181	0.5
83.83830	0.5
85.02975	1.2
101.02471	1.1
115.00397	0.9
124.56670	0.6
125.43656	0.6
130.66313	0.6
135.04474	0.7
140.99596	0.5
152.99580	0.8
293.21228	1.4
350.13672	0.6
369.22995	2.3
370.23282	0.7
450.09387	0.6
518.32214	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	518.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02981	12.8
59.01381	36.4
61.98817	7.3
69.36230	1.5
71.01389	15.5
72.82753	1.4
72.99288	2.0
73.02935	2.1
74.02474	21.8
81.04574	2.8
82.02972	5.4
85.02948	5.0
86.02497	10.1
87.05631	4.7
89.02441	11.4
95.01443	1.7
95.63615	1.4
97.04064	2.2
99.05631	21.6
100.00406	1.7
101.02453	8.6
101.07214	3.3
102.05613	5.0
109.04049	3.9
112.04019	4.4
113.02456	6.5
119.03516	5.8
121.02998	1.6
122.55334	1.3
123.05632	2.2
125.03561	3.8
127.05135	5.9
128.03540	62.0
131.03558	2.1
135.04555	4.3
135.05647	8.8
137.02405	3.6
137.07259	1.7
141.06734	3.9
143.04616	82.1
144.04996	3.2
145.06195	4.5
146.04596	10.5
153.06680	7.5
161.04547	2.4
166.09842	2.4
167.04640	4.4
167.08202	8.9
170.03357	2.2
171.04033	1.7
179.04504	22.0
181.06291	2.2
185.05640	3.4
192.07843	2.2
193.12392	1.7
197.05673	3.7
210.08847	20.8
211.13464	7.4
218.86673	1.6
228.09882	2.3
245.12175	7.8
254.05089	2.4
254.07803	46.1
272.08890	62.6
283.17114	2.0
359.11246	1.9
389.17654	11.0
403.05295	1.7
458.24368	1.6
500.20752	15.1
501.21472	2.4
518.21765	100.0
519.22382	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	518.173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02651	3.7
56.05557	3.4
59.01376	38.2
59.54425	3.1
61.98831	100.0
63.39728	3.0
67.60805	3.7
69.36671	18.7
69.37101	9.9
71.01365	10.6
99.89209	2.9
101.02445	5.7
106.51978	3.5
113.02406	3.6
206.02463	3.3
261.08615	4.0
281.17584	5.0
381.13361	6.4
425.16171	5.6
518.30389	4.5
519.31824	16.5
519.57141	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	517.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.2
57.03454	1.9
58.00587	1.4
59.01380	100.0
59.89694	1.1
61.02393	1.2
61.98819	4.9
63.21336	1.1
63.21708	1.1
63.45385	1.0
70.47515	1.0
71.01379	15.2
72.99321	1.5
73.02933	5.7
83.01398	3.4
84.58239	1.2
85.02943	6.1
87.00819	1.3
89.02443	10.1
95.01429	1.3
97.02948	1.2
98.19891	3.6
98.72102	1.1
101.02451	11.1
105.12285	1.1
111.08158	5.0
113.02454	6.5
119.03477	3.6
121.02962	36.7
123.08173	1.5
125.09711	2.7
133.02995	1.7
135.04518	2.3
155.93614	1.2
161.02449	2.8
161.04578	5.3
169.08702	21.8
181.06541	2.7
225.05510	2.8
253.09258	18.9
253.18034	1.9
263.16464	8.7
281.17587	29.3
303.14056	1.6
313.07101	9.0
357.06143	1.4
397.22491	1.8
401.08749	24.7
401.13919	1.8
402.09195	2.0
415.23340	7.5
517.21783	1.9
517.30359	22.5
518.29834	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67161	0.7
59.01382	7.2
59.63210	0.9
65.82638	0.8
71.01385	3.6
71.21804	1.3
83.01409	1.0
84.74412	0.7
85.02947	2.3
86.15140	0.8
87.21199	0.8
101.02468	2.1
104.05074	1.7
106.06626	100.0
107.06969	2.0
108.08225	3.6
113.02438	3.1
118.06612	2.1
120.08183	1.3
124.90234	0.8
130.06645	1.9
131.03760	1.5
131.71710	1.0
133.01485	0.9
133.03000	1.0
146.06128	2.0
150.05606	79.2
151.05943	1.9
162.05588	1.3
164.07166	21.2
165.07593	0.9
174.05563	2.7
192.06654	12.5
194.04581	26.7
194.06387	1.4
209.04581	1.0
210.05482	1.0
236.05597	9.7
237.04309	1.3
238.05072	1.5
250.04935	1.0
252.03073	0.9
252.04044	1.0
252.06642	8.6
266.04401	1.2
270.00873	1.0
278.06668	1.9
280.02563	2.0
296.07813	8.1
308.05649	19.4
356.09848	75.4
357.10181	2.7
474.12109	1.3
540.76978	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.257
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.3
58.00569	0.7
59.01379	47.9
60.62786	0.6
61.98821	2.6
69.03446	0.8
69.18221	2.9
69.18648	4.6
71.01382	22.0
72.99306	1.3
73.02945	15.3
83.01394	3.3
85.02944	5.2
87.00872	3.2
88.98764	0.8
89.02446	7.7
95.01369	2.0
97.02974	0.7
99.00919	1.2
99.92587	2.8
101.02445	15.5
101.36837	0.6
113.02447	7.3
115.92034	1.0
116.92845	2.3
119.03471	1.8
121.02954	1.2
124.68723	0.8
125.02443	1.4
135.04512	1.4
139.76233	0.7
161.04509	1.3
163.17244	1.0
177.01874	0.8
183.13831	1.4
251.20224	0.9
258.62717	0.8
268.92703	0.8
277.21732	1.3
279.08307	0.7
295.22763	20.1
296.23029	1.4
297.24353	0.9
313.23868	5.1
415.23483	1.1
457.28177	10.0
475.29092	15.9
476.29364	1.0
517.30237	100.0
518.30432	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	516.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	19.8
61.98824	10.2
69.03461	2.7
69.32919	21.1
71.01384	8.0
78.95904	71.7
113.09721	10.0
115.00386	2.6
121.10245	4.6
133.01474	3.1
134.63663	2.5
140.01186	16.4
152.99602	7.2
175.14909	10.4
196.03758	26.0
203.18057	3.3
214.04901	8.4
219.13858	22.8
228.12407	3.2
231.39995	2.9
257.22778	14.1
266.96390	2.4
301.21722	26.9
319.22760	73.1
320.23135	3.8
332.32709	3.0
469.29761	2.9
500.33533	2.9
516.27307	100.0
517.27924	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	516.2731
Annotation	Paspalitrem B
Peak:m/z	Relative Intensity
53.35172	2.1
59.01380	15.8
61.98826	12.1
62.77475	2.5
64.07460	2.1
69.03462	2.8
71.01373	4.4
71.52464	2.4
75.15051	2.5
78.95907	69.8
122.00153	3.9
135.04514	3.5
135.11755	2.5
139.11296	2.2
140.01196	21.6
152.99521	5.7
160.20079	2.3
163.11302	4.4
171.00601	2.9
179.01254	2.7
179.10783	23.9
196.03793	29.9
203.18085	5.8
207.10214	3.5
208.11047	3.1
214.04909	10.2
252.82475	2.1
256.67560	2.8
257.22729	9.4
266.33667	2.2
272.76904	2.2
281.73035	2.5
285.87479	2.6
301.21677	14.2
319.22769	100.0
320.22992	6.3
449.58813	2.1
516.27307	91.2
517.27722	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	516.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02969	18.6
61.98830	57.9
63.99267	2.5
66.03490	2.2
67.04010	2.1
69.86423	4.6
69.86829	7.7
71.01339	2.4
72.00904	2.6
74.02475	29.6
79.64845	2.2
82.02977	4.1
86.02476	10.9
86.06142	3.7
87.05652	4.6
90.45785	2.3
96.04569	2.4
97.04038	2.5
99.05650	25.9
99.06242	3.8
101.07185	5.9
102.05614	5.6
103.35368	2.4
109.04072	8.6
111.05701	2.7
112.04028	3.0
113.03550	2.5
123.05647	3.3
125.03568	5.0
127.05114	7.1
128.03543	77.2
131.74690	2.5
135.05643	10.3
141.06642	5.1
143.04616	94.7
145.06195	6.3
146.04604	10.6
153.06702	4.5
166.09834	4.3
167.04626	4.4
167.08290	6.7
168.40503	2.3
170.03300	2.5
179.04622	29.2
192.07730	2.7
193.98523	2.8
197.05797	4.3
209.11880	3.6
210.08815	23.0
243.10526	4.1
248.21179	2.4
254.07814	55.7
272.08890	80.1
293.51773	2.5
296.78763	2.7
358.48019	2.5
370.69757	2.6
387.15845	16.5
498.19168	17.8
516.20148	100.0
517.20685	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2859
Annotation	Tricalysioside M
Peak:m/z	Relative Intensity
53.01315	0.7
55.01858	0.7
58.00581	1.6
58.61220	0.8
59.01381	70.0
60.59387	0.7
61.98828	7.2
69.03452	1.1
71.01380	30.2
71.52081	1.2
72.99305	2.1
73.02946	31.5
78.32803	0.9
80.52866	0.7
83.01391	7.2
85.02960	4.9
87.00878	1.7
87.33035	0.6
89.02440	8.5
91.44983	0.7
95.01372	2.1
96.95987	2.2
97.02950	1.5
99.00901	1.1
101.02440	24.2
113.02452	7.6
119.03484	2.8
121.10249	1.8
125.02460	1.3
131.03522	1.4
135.04514	1.7
143.03471	1.0
149.04430	0.8
161.04549	3.2
171.10252	6.6
179.05577	0.9
183.00876	0.8
185.11746	0.9
231.10226	1.5
275.20142	6.0
293.21210	6.4
311.22293	1.6
443.31567	1.0
455.26538	7.8
456.26846	1.1
471.20026	0.9
473.27533	17.6
474.27936	1.1
479.62570	0.8
515.28583	100.0
516.28918	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	515.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53939	0.4
59.01379	100.0
60.01715	1.1
61.98828	1.1
69.26360	2.2
69.26791	2.0
70.24831	0.4
71.01383	7.4
71.05024	0.9
73.02962	1.6
83.01417	1.1
83.46552	0.4
85.02961	1.2
89.02470	1.1
89.06095	0.8
95.22691	0.4
99.00864	0.7
101.02462	1.9
113.02471	1.5
121.03011	1.7
130.21936	0.4
132.61021	0.5
134.03777	0.7
135.04459	0.6
165.01944	1.3
171.10280	0.5
197.11842	0.8
204.61235	0.5
221.08214	2.3
233.10370	0.5
237.07820	0.8
267.19806	0.6
293.17673	0.7
381.11926	9.1
381.16418	0.6
382.12088	0.5
397.14352	0.5
473.27911	1.0
515.28705	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	515.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.3
57.03466	1.1
58.02966	4.1
58.99604	1.0
59.01163	0.9
59.01384	10.3
61.98823	2.6
64.17514	1.0
67.65009	0.8
70.02237	2.2
70.02641	1.3
71.01378	3.4
73.02940	1.7
74.02477	12.6
80.05076	1.6
82.02994	3.8
83.01395	1.8
84.00900	1.3
85.02950	1.4
86.02499	1.2
86.06151	1.2
87.05630	0.9
88.98801	1.3
96.04555	8.3
97.04076	9.4
97.40886	0.9
98.02466	6.1
99.00867	1.5
99.05657	8.9
100.00410	3.5
101.02427	3.6
108.04562	8.2
109.02945	1.0
109.04091	2.1
110.02449	2.3
110.06141	0.9
111.02049	1.1
112.04034	6.3
112.07718	6.4
113.02461	1.2
113.03603	2.9
116.01760	1.6
122.06136	2.6
124.04038	8.7
125.03561	19.9
125.04842	2.4
126.05605	1.3
127.05128	4.1
128.03574	1.2
133.01413	3.0
134.02501	1.4
135.04518	10.8
135.05515	1.5
135.11803	2.9
135.40382	1.0
137.07208	9.7
138.05615	3.5
139.05138	6.9
140.07193	4.4
143.04601	2.5
147.05666	3.8
152.03552	5.8
155.08258	8.3
160.48691	0.9
161.02504	2.2
163.05101	2.3
165.06688	16.7
168.11400	1.0
173.04637	1.4
173.21794	1.1
178.01448	4.2
179.03455	10.2
179.04695	1.0
181.06158	6.5
183.07747	4.3
191.05739	17.4
196.02542	2.1
209.05684	17.4
209.11830	2.2
210.12373	2.8
214.15591	1.2
220.00049	1.4
225.05165	36.1
226.05493	1.0
227.06755	6.9
228.13629	1.2
235.35802	1.0
242.94963	1.0
243.10570	5.3
253.04651	100.0
254.05086	4.3
254.07489	1.0
269.97903	0.9
271.05746	17.0
271.08487	1.9
272.05954	1.1
277.05582	1.0
288.10382	0.9
313.66278	0.9
353.08759	11.7
453.17126	3.2
469.16599	3.3
470.25989	2.5
471.26685	6.1
497.15909	5.8
515.17047	40.4
515.28680	4.2
516.17249	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	515.125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	36.2
60.15504	2.1
63.02855	2.2
69.48218	13.1
71.01389	32.4
72.99306	4.7
73.02943	19.7
74.48296	2.2
78.95892	6.6
83.05021	6.2
85.02958	10.1
87.00863	2.6
89.02444	44.0
89.27866	2.0
93.02874	3.1
93.03454	46.6
96.96955	12.5
98.19919	4.6
99.00876	5.9
99.04523	6.2
101.02438	20.6
110.07566	2.0
111.04511	21.5
112.98829	2.2
113.02451	14.0
119.03506	15.5
129.01939	3.3
129.72484	2.4
131.08243	3.0
137.02419	11.0
142.99840	10.9
143.03508	7.6
155.03465	14.3
161.04510	4.3
172.89899	8.0
173.00839	2.9
173.04546	93.2
173.09363	4.2
179.05600	23.2
221.06711	2.6
312.13046	2.0
341.06702	4.9
341.10883	100.0
342.11124	3.6
429.48590	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	515.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	16.4
71.01390	9.1
71.38234	1.6
72.99308	22.3
73.02941	6.4
78.37878	1.3
83.05022	5.9
85.02937	3.8
85.06569	2.1
89.02440	8.7
93.03458	13.8
96.96958	2.9
99.00889	1.2
99.04506	5.5
99.24632	1.3
100.27979	1.2
101.02447	4.0
111.04521	29.2
112.21249	1.1
113.02440	3.2
119.03475	4.1
129.05576	18.9
131.08243	2.7
137.02426	6.5
140.77170	1.4
141.17274	1.3
143.03517	1.9
155.03508	69.1
155.88524	1.4
161.04501	1.5
172.89949	1.7
173.04547	100.0
173.09300	4.3
174.04930	1.2
179.05614	5.4
189.11931	1.3
191.05573	1.8
238.87346	1.2
255.38321	1.2
341.10883	22.7
355.04520	1.6
368.25674	1.2
491.45438	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.0468
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37865	1.4
53.10111	1.5
56.48384	1.8
59.01387	12.3
60.71815	1.3
61.98826	2.2
69.03432	1.3
71.01382	16.6
71.05038	1.4
71.52426	2.2
72.99290	2.1
73.02943	1.8
76.49564	1.5
78.79202	1.4
78.95878	2.3
89.02428	4.0
96.95970	1.7
97.36377	1.7
101.02437	3.4
104.02675	3.7
109.02971	2.4
113.02396	2.9
115.00375	19.6
117.03420	2.4
121.02946	2.8
133.01443	25.9
133.02927	4.9
134.03711	2.8
135.00861	1.9
135.04489	5.7
147.00987	2.5
148.01671	3.3
149.02452	1.8
151.03984	1.4
158.19289	1.9
161.02435	22.0
176.01120	2.9
177.01935	16.0
179.03551	2.1
187.07625	1.6
189.01865	4.1
201.01993	2.7
202.53978	1.7
209.06094	3.6
211.07704	1.7
213.05510	3.2
219.04478	2.6
220.00073	5.3
221.00778	2.7
221.06186	2.7
225.05457	2.8
235.03986	2.7
237.05577	7.3
239.03683	1.8
241.01193	1.7
241.05104	3.3
249.05637	1.6
251.03485	2.3
253.04973	4.6
255.06598	1.6
263.03543	7.1
264.04245	3.6
265.04990	11.6
267.02875	3.9
273.07721	1.5
279.03119	2.8
280.03793	1.6
281.04486	8.2
291.02988	3.6
292.03760	2.1
293.04501	5.9
295.02405	4.6
308.02884	2.3
309.04031	20.7
310.04269	2.0
311.05634	3.9
312.07715	1.8
319.02380	8.0
335.01837	1.9
336.01727	1.7
336.99490	2.7
337.03537	54.4
338.03882	3.6
355.04529	16.7
363.01410	2.9
381.02505	100.0
382.02765	6.5
399.03503	18.3
515.04584	23.8
515.21381	2.4
544.55115	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.0463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	3.2
61.98829	2.0
71.01379	6.2
71.52206	1.3
72.76925	0.9
72.99319	1.6
85.02968	1.1
86.11719	0.9
89.03951	1.8
92.68929	0.9
93.03461	1.4
96.96015	1.7
97.25851	0.9
100.93872	0.9
109.02930	1.5
115.00385	11.2
117.03479	1.3
119.04978	0.9
121.02943	5.6
126.37692	0.9
128.03461	1.2
133.01443	15.0
133.02940	1.4
135.02939	1.2
135.04529	6.1
136.04855	2.3
145.03018	1.5
148.01691	2.2
149.06058	1.0
161.02461	12.6
163.00366	1.0
173.02489	1.3
176.01123	2.1
177.01901	6.8
179.03474	1.1
181.06575	1.6
189.01949	5.9
193.06642	1.0
195.04468	1.9
197.06010	1.5
201.01917	2.2
209.06093	4.7
210.80074	0.9
211.03966	1.8
218.02780	3.4
219.02888	1.5
219.04781	1.2
220.00082	3.0
220.04124	1.8
221.00853	2.3
221.06039	2.3
223.03954	2.0
224.56453	1.0
225.05547	2.2
235.03981	3.6
236.04700	1.6
237.05579	7.6
239.03516	2.5
248.04662	1.2
249.05493	1.3
251.03426	2.8
252.04254	1.2
253.02646	1.1
253.04887	4.6
263.03555	6.9
263.05872	1.4
264.04211	5.1
265.05035	8.5
267.02774	1.7
276.04141	1.1
279.02921	2.9
280.03641	1.6
281.04526	8.8
291.03101	5.3
292.03705	3.7
293.04645	9.4
295.02374	6.8
307.02493	1.6
308.03149	2.8
309.04013	26.3
310.04385	1.9
311.05484	3.0
319.02441	1.7
337.03522	79.5
338.03845	4.7
355.04636	13.5
363.01389	2.7
381.02512	100.0
382.02768	7.4
399.03241	1.2
419.72897	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91615	0.2
56.28773	0.2
60.31443	0.1
61.98832	100.0
91.94390	0.2
98.20672	0.3
116.30154	0.2
252.49747	0.2
386.76675	0.2
514.33441	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84298	0.5
58.02974	6.2
58.89946	0.5
59.01365	2.2
61.98818	1.4
66.03482	0.7
68.05035	0.6
70.02988	0.6
71.01387	1.4
71.07581	1.0
72.00910	1.3
74.02476	15.2
81.04568	0.8
82.02986	1.9
84.04544	0.8
85.04064	0.5
86.02477	5.2
86.06093	1.0
86.99097	1.4
87.05629	4.4
90.00193	2.0
96.12173	0.5
97.03055	0.5
97.04070	1.6
99.05035	0.9
99.05647	13.6
101.07203	1.9
102.05600	1.7
102.89724	0.5
107.06180	0.6
109.04068	2.0
109.18969	0.4
111.05624	1.1
112.04029	1.9
113.02424	0.6
116.01790	1.0
123.05647	1.5
124.04006	1.0
125.03579	1.6
126.02011	0.8
127.05139	2.3
128.03543	35.9
129.03876	0.9
129.96149	0.5
131.04648	0.6
133.01431	0.6
135.04607	1.0
135.05553	3.0
136.04771	0.5
137.07243	0.6
139.05157	0.5
141.06731	3.5
143.04626	51.0
144.01286	0.7
145.06201	2.3
146.04625	3.6
152.08275	0.6
153.06731	4.0
155.08252	0.7
160.00743	14.2
161.00984	0.6
166.09869	1.6
167.04619	4.1
167.08261	2.0
171.04140	0.5
171.07785	0.7
177.03387	4.5
179.04630	9.3
181.06236	1.3
185.05611	1.8
192.07756	0.8
197.05679	1.5
198.08815	1.0
199.23836	0.5
207.10268	0.6
210.08821	9.7
213.03334	0.6
231.04443	0.8
242.07867	1.6
254.07817	14.3
272.08881	26.4
273.09216	1.1
288.06601	10.2
306.07654	100.0
307.07877	4.2
352.58801	0.6
444.48642	0.5
514.18787	2.8
514.27136	1.1
515.28351	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.081
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.9
61.98835	1.9
71.01377	18.9
72.99296	4.0
79.79424	0.7
89.02475	3.4
98.28608	0.6
98.49820	0.7
106.67757	0.7
115.00367	49.0
116.00684	0.9
118.38354	0.7
133.01427	100.0
134.01747	1.0
134.03751	1.0
135.04521	66.0
136.04852	1.2
161.02507	3.4
177.01865	0.9
179.03500	2.8
185.04692	0.9
203.00441	2.8
218.02785	55.3
219.03537	21.1
220.04347	22.4
221.00887	0.7
265.05118	1.2
293.04504	1.3
309.03900	1.2
311.05533	0.8
337.03586	1.3
342.35498	0.8
354.07959	4.7
355.04575	2.0
380.05753	1.3
381.02679	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68868	0.1
55.01875	0.4
57.03444	0.2
58.00602	0.3
59.01379	7.5
61.98819	0.1
69.03474	0.1
71.01381	6.1
71.51276	0.2
72.01727	0.1
72.99297	0.5
73.02940	1.0
81.03458	0.2
83.01384	0.6
83.05029	0.2
83.46407	0.1
85.02949	1.5
87.00862	0.7
89.02446	4.7
90.02777	0.1
91.04023	0.2
95.01389	0.4
97.02979	0.1
99.00881	0.3
101.02439	5.7
113.02448	2.6
113.03252	0.1
115.04026	0.1
119.03489	1.2
125.02454	0.2
127.07663	0.2
129.01994	0.1
129.26813	0.1
129.41840	0.1
131.03473	0.3
133.05077	0.3
143.03500	0.5
149.04498	0.1
157.05132	0.1
161.04565	2.1
179.05627	0.7
233.22676	0.4
235.08206	0.8
253.09274	19.5
254.09610	0.6
259.20535	0.3
275.20013	0.4
277.21704	100.0
278.22046	6.1
495.85431	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.9
59.34682	0.9
61.98825	2.0
66.29828	0.9
69.50008	5.8
71.01385	22.4
72.99308	3.9
78.16886	0.9
89.02455	3.0
90.68453	0.9
96.96037	1.5
98.19922	1.0
115.00373	52.2
120.78198	0.9
121.02956	1.4
133.01436	100.0
134.01747	1.9
134.03749	1.1
135.04527	72.4
136.04831	1.8
161.02403	4.4
172.32568	1.0
176.01122	1.3
177.01836	1.9
179.03473	3.6
193.74965	0.9
203.00449	2.2
218.02798	59.8
219.03558	22.9
220.00197	1.0
220.02354	1.6
220.04376	23.9
237.05551	1.3
265.04858	1.6
292.06284	1.3
293.04504	3.7
309.04111	2.3
311.05521	2.3
319.02457	1.3
337.03598	4.9
354.08206	4.4
355.04648	2.5
381.02365	6.7
399.03534	2.8
493.92416	1.1
515.04767	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.27
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75264	2.7
59.01377	100.0
59.34006	2.6
61.98832	12.4
65.25105	2.7
70.02476	8.8
70.02884	4.6
71.01382	14.8
73.02959	12.8
78.95946	3.0
85.02953	4.7
89.02456	8.0
98.20018	4.1
101.02453	9.2
113.02444	8.7
120.94660	2.7
135.04398	3.6
156.41110	2.8
169.72073	2.9
220.06866	2.8
279.76953	3.1
291.19626	7.9
364.16443	3.0
528.09613	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00290	0.1
55.01873	0.3
57.03447	0.2
58.00609	0.2
59.01381	6.4
61.98829	0.8
62.12253	0.1
70.27811	0.3
70.28197	0.3
71.01383	4.6
72.99314	0.2
73.02947	1.2
83.01382	0.6
85.02944	1.1
85.03302	0.1
87.00881	0.6
89.02444	3.5
91.04013	0.2
93.82140	0.1
95.01408	0.4
97.02944	0.1
99.00881	0.3
101.02446	4.1
113.02455	2.1
119.03483	1.1
125.02418	0.2
126.83186	0.1
127.07645	0.3
131.03531	0.2
133.05055	0.3
135.04561	0.2
143.03464	0.3
149.04555	0.1
157.05038	0.2
161.02457	0.3
161.04550	1.5
178.57542	0.1
179.05580	0.7
180.03709	0.1
181.12187	0.1
185.99074	0.1
216.17720	0.1
233.22731	0.4
235.08226	1.0
253.09283	16.3
254.09656	0.5
259.20654	0.5
275.19925	0.3
277.21713	100.0
278.22058	5.5
431.24411	0.7
432.24588	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
57.95457	2.1
59.01374	25.1
61.98821	4.7
68.99571	89.5
69.45834	13.1
71.01375	4.5
101.02438	3.4
109.48222	2.6
112.98561	100.0
113.02476	4.3
120.11475	2.2
121.06580	2.4
128.63673	2.1
149.01250	1.9
267.83420	2.0
513.18744	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	513.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51867	2.6
59.01378	100.0
61.98835	19.5
69.29043	26.2
71.01373	31.2
73.02946	24.8
78.95928	9.2
83.01389	7.9
85.02926	7.1
89.02464	6.4
96.96072	3.9
101.02447	21.9
111.08148	3.3
113.02473	11.2
115.05266	2.6
122.44235	3.2
123.04652	3.1
135.04521	5.7
143.03555	3.5
247.17004	4.5
265.18069	10.4
351.21335	4.2
409.22403	5.3
410.73322	4.7
419.73032	3.2
427.23251	14.9
453.28848	6.2
469.24374	40.3
513.25378	3.6
513.31293	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	513.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48115	2.1
59.01380	100.0
61.98825	10.9
62.34078	2.0
69.32438	13.2
69.32844	5.1
71.01383	27.5
73.02950	22.5
83.01386	5.4
85.02943	8.0
89.02437	5.2
100.44163	1.8
101.02450	19.9
102.24355	2.0
112.41103	1.9
113.02448	12.3
131.03540	2.0
135.04489	2.4
154.33766	2.1
161.04582	5.9
242.90616	2.4
247.16969	10.3
291.19650	9.0
309.20633	9.9
469.24472	18.1
471.25626	4.5
513.27008	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58381	1.4
58.00579	2.2
59.01379	100.0
61.98832	8.0
69.03438	2.1
71.01382	46.0
71.51833	1.9
73.02947	62.5
75.00897	2.1
75.04506	2.3
83.01400	15.0
83.04990	1.5
83.28087	1.6
85.02931	5.2
89.02459	5.5
95.05009	1.8
97.06564	1.7
99.00875	2.0
101.02441	41.4
103.27980	1.7
113.02407	9.7
116.78075	1.5
121.06599	1.9
125.02419	1.6
125.86995	1.7
131.03532	3.5
134.07356	1.7
135.04486	1.7
140.04190	1.6
143.03465	2.3
149.04599	2.1
155.03479	2.1
161.04506	5.5
189.12959	1.7
227.18063	21.7
244.78773	1.4
245.19064	22.8
246.19366	2.0
251.76070	1.5
282.37515	1.4
289.18192	2.4
391.29132	1.6
444.13748	1.7
517.70013	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97548	4.8
59.01377	100.0
59.54602	1.9
61.98817	7.5
70.04775	9.2
71.01376	18.6
73.02940	18.0
79.47948	1.8
81.74565	1.9
83.01379	5.8
83.06140	6.0
85.02940	4.6
89.02469	4.3
92.05053	7.8
101.02441	17.0
113.02425	10.6
133.78491	2.6
161.04584	4.6
193.08060	2.1
317.17163	4.7
332.20068	2.1
333.14835	7.9
351.16034	4.2
359.18250	17.1
393.16910	7.9
513.26660	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	509.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98832	3.4
71.01385	4.2
71.52061	1.3
71.66680	0.9
73.02916	0.9
78.56110	0.8
80.78070	0.9
85.02921	1.4
89.02466	2.2
101.02449	1.2
113.02408	1.2
133.91231	0.9
135.04541	1.9
162.06795	1.1
175.41661	0.8
176.50291	0.8
231.10275	1.2
295.02393	0.9
331.21185	1.3
356.64249	1.0
455.90222	1.0
479.20731	1.0
509.30807	1.3
509.34729	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90170	0.9
59.01375	4.1
59.89026	0.9
61.98829	15.3
68.76437	0.8
71.01398	1.1
71.24766	0.9
73.65085	0.8
78.95906	1.7
81.37511	1.0
81.38035	0.9
89.11398	0.8
96.96969	1.5
101.02410	1.4
107.01396	2.4
108.02180	1.0
109.02942	1.8
113.99601	1.9
115.00355	1.1
121.02966	2.2
125.35071	0.9
135.00897	1.0
135.04498	1.4
151.00371	11.8
163.00349	3.3
177.05609	2.0
178.99838	4.7
211.04091	1.5
220.94193	0.8
227.03510	2.0
229.05128	1.6
243.03049	5.0
245.04549	1.6
254.02190	1.4
255.02983	17.5
271.02466	33.3
272.03088	1.1
273.04025	1.6
274.95255	0.8
283.02414	2.1
299.01761	1.1
300.02731	67.9
301.03491	50.0
302.03857	2.2
447.09296	100.0
448.09540	9.6
512.83917	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80402	0.5
61.98812	0.6
64.74334	0.5
69.38756	3.8
76.32952	0.5
78.95905	21.8
82.82999	0.5
96.96957	1.8
99.32177	0.5
112.16507	0.5
114.68719	0.6
114.69524	0.6
144.39453	0.5
152.99583	29.8
171.00642	1.7
185.26491	0.5
227.03247	4.5
228.74370	0.5
234.51509	0.5
245.04311	1.3
247.56458	0.5
281.24841	100.0
282.25177	5.9
381.52588	0.6
417.23874	0.6
508.84802	0.6
509.28827	53.5
510.29160	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	509.312
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62351	0.5
59.01379	100.0
59.68612	0.5
60.01706	1.2
61.98829	1.6
69.16045	4.9
71.01384	3.7
73.02943	1.1
78.95957	0.5
83.01405	0.5
85.02966	2.0
101.02456	2.0
101.98564	0.5
113.02467	1.5
135.04536	0.6
161.04602	1.7
199.14006	0.5
202.86406	0.5
210.51067	0.4
231.10211	0.6
372.35260	0.4
467.30136	1.0
533.17786	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97359	0.9
56.83920	0.8
59.01379	7.5
61.98831	100.0
70.64714	1.2
70.65045	2.1
71.01390	4.4
73.02953	2.1
78.95913	1.6
85.02970	1.1
101.02446	3.2
113.02451	1.1
127.05637	0.9
135.04520	3.6
150.57887	0.9
194.83324	1.0
263.70886	0.9
311.09357	2.3
326.11456	1.6
341.13919	3.9
342.24057	0.9
378.15164	0.9
392.24850	1.1
439.50122	1.1
487.25485	2.0
508.23206	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3405
Annotation	PC(16:0/O-1:0)
Peak:m/z	Relative Intensity
57.03429	2.9
61.98825	8.5
69.96948	2.6
78.95906	3.8
83.01385	44.2
94.47894	2.0
98.19868	5.0
101.02421	4.4
111.69809	2.3
134.44576	2.2
134.85667	2.3
152.01891	1.9
152.99582	2.3
157.05060	25.4
162.75729	2.4
175.06075	5.4
229.38016	2.6
237.99124	2.5
255.23279	100.0
256.23505	7.0
258.01154	2.4
280.23511	5.0
308.59396	2.5
413.29047	52.2
414.29196	4.4
458.34659	5.3
505.35065	2.5
507.95129	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3323
Annotation	Lemmasterone
Peak:m/z	Relative Intensity
57.03446	1.1
57.61639	1.0
59.01361	4.2
61.98828	1.7
64.79765	0.9
69.43876	1.0
70.08105	3.3
70.08517	2.0
71.01382	1.3
71.04979	0.9
83.05024	1.7
85.14760	1.2
86.78326	1.2
90.80847	1.0
109.06602	4.2
111.08175	11.8
113.06077	2.4
161.06145	1.1
173.08029	1.1
181.15996	5.8
198.70418	1.0
199.17009	2.6
225.15053	6.0
230.92001	1.2
235.06303	1.2
236.10326	1.1
243.15971	5.9
269.13956	3.5
271.22778	8.2
287.15018	3.0
296.64160	1.4
323.90103	1.0
347.25986	2.3
357.31943	2.4
358.72751	1.1
385.31561	1.2
401.34171	3.4
411.29138	1.4
427.32260	9.1
445.33322	7.6
489.32205	16.3
507.33347	100.0
508.33636	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	508.1111
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.9
57.03442	1.6
59.01383	94.8
60.01708	5.7
60.02940	1.5
61.98834	10.3
69.01866	1.3
69.48658	7.1
69.49075	2.7
69.67402	1.4
71.01388	21.2
72.01728	2.1
73.02958	10.5
83.01385	3.7
85.02957	8.2
87.00883	2.8
89.02429	3.8
95.01395	1.5
98.19855	1.5
99.00899	1.9
101.02446	14.6
113.02443	6.1
114.02801	1.7
119.03493	1.4
125.02457	2.0
132.36664	1.3
135.03040	1.8
135.04515	6.6
147.29593	1.3
161.04578	2.1
182.41696	1.4
210.33717	1.4
221.79384	1.5
259.97812	1.6
281.08142	11.4
282.09067	3.1
285.20587	4.3
303.21808	18.3
304.22058	8.4
326.07721	2.6
341.10275	26.4
342.10504	2.0
392.65421	1.5
447.25793	18.5
448.26297	12.4
449.26099	1.8
463.25119	1.6
465.27005	23.0
466.27264	13.9
489.27057	3.8
507.28088	100.0
508.16183	4.3
508.28510	72.2
509.28506	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	507.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71387	0.3
59.01372	1.1
61.98837	0.5
65.69862	0.4
69.60263	2.1
71.01389	0.4
73.59544	0.4
78.95907	1.2
85.83141	0.4
87.25241	0.4
89.02466	0.4
89.13940	0.4
94.74873	0.4
105.03495	0.4
117.03470	1.7
119.13371	0.4
121.02975	1.1
123.04525	0.5
125.07034	0.4
132.02129	0.9
133.02956	25.1
134.03758	5.4
135.04529	14.9
136.04840	0.4
137.02443	3.7
139.04031	1.0
148.05254	0.6
150.03204	0.4
152.99529	0.7
161.02441	100.0
162.02797	2.7
178.02705	0.6
179.03487	5.2
187.66106	0.4
215.71788	0.4
225.22200	0.5
229.26796	0.4
235.06113	0.7
264.50278	0.4
271.22769	7.7
279.23288	6.9
347.25909	8.5
348.26224	0.6
371.25934	1.1
415.24887	44.1
416.25275	4.0
433.25912	15.1
434.26202	1.2
507.29596	72.8
508.29916	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	507.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.6
60.22334	0.9
61.98821	1.2
69.23801	8.5
78.95901	15.8
96.96953	1.6
98.20692	1.8
111.35760	0.9
117.03475	2.2
132.02158	1.3
133.02969	25.2
134.03732	6.2
135.04538	18.4
137.02470	3.8
139.04048	1.3
141.25327	0.8
152.99599	23.5
161.02448	100.0
162.02837	2.7
163.89584	0.9
171.00653	1.5
179.03522	6.3
209.62035	0.9
227.03296	4.5
235.06100	0.9
245.04164	1.6
271.19989	1.5
271.22699	9.0
279.23285	87.1
280.23651	3.5
281.24902	5.8
282.25241	13.9
347.25888	8.6
371.26151	1.5
415.24908	45.4
416.25424	3.6
426.27029	1.1
433.25964	13.6
434.26105	1.2
507.29236	93.9
508.29803	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.8
66.87463	0.2
68.76785	0.2
70.43145	0.7
71.01340	0.2
93.03478	0.5
93.35030	0.2
108.01352	0.2
117.03474	1.4
119.05029	100.0
120.05357	2.0
125.87888	0.3
145.02937	2.0
163.04008	92.3
164.04332	2.9
241.10660	0.2
340.00534	0.2
371.25949	0.2
415.24634	0.4
507.29517	11.8
508.29681	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66236	0.3
53.04421	0.3
53.85169	0.4
59.01380	100.0
60.01705	0.9
61.92089	0.3
61.98841	0.4
70.39938	0.3
70.40267	0.9
71.01385	6.0
72.99313	0.3
73.02951	1.2
83.01367	0.5
85.02966	1.3
89.02433	3.7
95.01405	0.3
95.49592	0.4
99.00892	0.3
101.02459	2.9
113.02437	2.7
119.03504	1.5
135.04601	0.4
143.03563	0.5
161.04602	0.6
179.05617	0.6
212.98773	0.5
238.14563	0.4
447.27405	0.6
465.28760	1.9
507.28210	0.4
507.34000	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	63.2
59.01374	48.9
61.98815	2.9
69.03438	3.9
71.05020	32.4
78.95889	3.8
80.00170	2.3
83.05005	20.3
85.02963	19.8
97.02956	2.5
101.06129	2.6
111.86349	2.4
115.04007	10.8
123.08131	17.0
124.47299	2.3
137.09686	10.1
143.41530	2.6
149.09723	4.1
151.11263	2.6
165.12837	21.4
173.27927	2.0
178.72818	2.0
189.12775	4.5
191.10789	3.4
191.14421	10.6
193.12292	9.3
207.13916	15.8
209.11853	3.3
209.15454	32.3
210.15778	2.5
235.13365	6.6
247.44287	2.7
253.14450	100.0
254.14725	5.0
350.06445	2.6
507.32724	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	507.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.5
57.03439	0.6
59.01379	100.0
60.01711	1.0
61.98840	0.8
70.09799	0.6
70.10196	0.5
71.01380	8.6
72.99302	0.6
73.02950	3.4
78.95922	0.5
83.01387	1.9
85.02953	3.7
87.00892	1.1
89.02446	3.4
95.01411	0.7
99.00901	1.2
101.02444	7.1
101.03111	0.4
111.00903	0.5
113.02447	4.2
119.03507	2.0
121.00107	0.3
123.00751	0.3
125.02437	0.3
131.03551	0.4
135.04512	0.4
137.09709	0.4
143.03522	0.5
152.99602	0.4
159.03036	0.5
159.04408	0.3
161.04585	1.7
179.05637	0.5
179.42316	0.3
193.53540	0.3
267.08868	0.3
303.23499	0.4
410.85211	0.3
447.27551	1.3
465.28519	7.2
465.34637	0.5
466.28925	0.6
507.23053	0.3
507.33853	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15334	0.3
59.01380	100.0
60.01722	0.8
61.76894	0.3
61.98854	0.6
69.74998	1.4
69.75417	0.6
69.91749	0.3
71.01375	3.7
73.02969	0.7
78.95979	0.3
85.02953	1.2
85.50544	0.3
89.02428	1.7
98.20702	0.4
100.78674	0.3
101.02436	1.9
113.02466	1.5
115.72427	0.3
119.03506	0.9
121.19280	0.4
125.81461	0.4
148.05330	0.6
161.04649	0.4
196.52501	0.4
220.95683	0.4
339.45865	0.4
465.29025	1.1
507.33420	0.4
507.72461	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.9
57.03436	0.8
58.00586	0.4
59.01380	30.5
60.01700	0.3
61.98820	1.0
69.03448	0.6
71.01380	10.7
71.01780	0.5
71.52149	0.4
72.99297	1.1
73.02947	3.6
75.00862	0.5
81.03452	0.3
83.01397	2.0
85.02953	4.2
86.00092	0.4
86.06118	0.4
87.00882	1.9
89.02460	1.4
90.98597	0.5
95.01382	0.8
97.02977	0.6
97.06555	0.3
99.00870	1.0
99.08125	0.4
101.02438	5.2
101.25326	0.2
111.00887	0.5
112.01675	0.4
112.25187	0.2
113.02448	2.9
123.04518	0.2
124.01628	0.7
125.02460	1.3
125.09729	0.5
127.11273	1.2
129.09224	0.6
133.01443	0.4
135.04529	0.9
140.07204	0.4
141.01918	0.2
143.10797	0.3
144.08195	0.5
149.03755	0.3
155.10771	0.5
158.06133	0.3
158.31006	0.2
159.10266	0.2
161.04547	0.3
166.58948	0.3
171.10275	1.3
172.07675	8.3
173.08463	2.6
174.24837	0.2
179.03484	0.5
201.11279	0.7
213.08008	0.3
216.14235	0.3
223.09727	0.4
226.28941	0.3
231.09007	0.4
249.18703	0.4
259.14536	1.8
267.19739	0.6
278.62363	0.2
283.19205	0.4
285.20697	5.0
285.23596	0.4
286.21304	0.3
301.20145	1.3
303.13516	12.1
303.21753	20.4
304.13843	0.8
304.22079	1.1
315.21674	0.5
317.14908	0.6
317.23318	0.4
327.21869	0.4
345.14426	2.1
345.22888	0.9
346.14783	0.3
387.24057	0.5
405.25125	0.5
406.03918	0.3
429.24890	0.9
447.25998	14.8
448.26361	0.8
455.89731	0.2
460.23911	0.2
465.27026	27.6
466.27292	2.4
477.19299	0.6
489.19553	0.4
489.26944	1.4
507.28073	100.0
508.21387	0.4
508.28427	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60311	0.5
55.57653	0.5
57.55783	0.5
59.01371	0.7
63.30559	0.5
70.75402	1.5
78.11841	0.5
78.95907	20.2
85.91477	0.5
96.96959	2.3
121.03896	0.7
148.57190	0.5
150.97997	0.7
152.99590	32.6
171.00641	1.5
193.41785	0.6
227.03285	4.5
237.82974	0.6
241.39671	0.6
245.04362	1.2
279.23291	100.0
280.23611	5.6
298.82986	0.5
507.27292	55.5
508.27521	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	507.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70648	0.3
55.01868	0.6
56.02121	0.2
57.03456	1.2
58.00599	0.5
58.34208	0.3
59.01379	31.7
61.98822	0.6
69.03449	0.8
71.01379	11.0
72.99302	0.6
73.02950	3.4
75.00878	0.8
75.92220	0.2
81.03450	0.3
83.01393	1.9
85.02959	4.0
86.00108	0.3
86.06108	0.5
87.00870	2.3
89.02471	1.4
90.98579	0.4
95.01398	1.0
97.02946	0.8
99.00883	1.2
99.08141	0.8
101.02444	5.4
106.34563	0.2
111.00915	0.7
111.08158	0.3
112.01704	0.5
113.02448	3.1
115.00387	0.3
124.01668	0.5
125.02460	1.4
125.09659	0.3
127.11272	1.1
129.09244	0.4
133.01422	0.3
133.43875	0.2
135.04547	0.9
140.07207	0.4
143.03590	0.5
143.10774	0.4
144.08206	0.5
155.10822	0.5
158.06070	0.6
159.10251	0.5
161.04514	0.3
171.10277	1.5
172.07669	9.4
173.08444	3.5
179.03487	0.5
185.11894	0.4
189.94797	0.3
201.11334	0.4
212.07373	0.3
230.08186	0.3
259.14548	1.9
264.20523	0.3
267.19629	0.7
283.19083	0.5
285.20706	5.0
299.14087	0.3
301.20221	1.1
303.13516	14.6
303.21747	20.3
304.13879	0.6
304.22018	1.3
315.21927	0.3
317.15024	0.7
319.58151	0.3
325.98309	0.3
327.21976	0.3
345.14526	2.2
345.22531	0.6
346.14600	0.3
387.23813	0.5
396.20230	0.3
405.24744	0.5
429.24918	1.0
447.25983	13.8
448.26093	1.1
465.27008	26.1
466.27213	2.6
477.18896	0.8
489.20749	0.3
489.27127	1.6
507.28076	100.0
508.28436	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	506.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72110	0.4
59.01380	2.7
60.01715	0.5
61.98829	100.0
66.24037	0.4
67.78890	0.4
69.37798	1.3
69.38227	1.9
70.23441	0.4
87.99289	0.5
88.87248	0.4
89.02490	0.6
94.65608	0.4
104.03898	0.4
110.40605	0.5
142.66977	0.4
150.93202	0.4
207.06859	0.5
214.38605	0.4
302.20645	0.6
375.73801	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52278	0.5
58.94913	0.4
59.01373	1.3
68.22190	0.5
71.01360	1.2
71.42387	0.9
83.05083	0.6
85.02949	9.3
87.00889	2.2
93.03452	3.8
96.96030	0.8
109.02952	4.0
111.04520	0.9
112.70298	0.6
127.04006	2.1
143.44389	0.6
153.01921	5.9
171.03012	0.6
173.04547	1.5
191.05603	100.0
192.05965	2.4
193.27507	0.6
315.07260	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.6
61.26289	0.3
61.98830	100.0
69.33515	1.9
69.33929	0.8
71.01382	0.6
76.89997	0.3
78.28787	0.3
92.49215	0.3
95.02226	0.3
98.19923	0.7
133.02913	0.3
135.04362	0.3
178.02368	0.3
184.19565	0.3
190.69513	0.3
254.60434	0.3
328.16446	0.4
334.04871	0.3
346.17538	0.8
375.61899	0.3
390.15964	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93971	0.7
59.01376	8.6
61.98831	100.0
70.28033	2.0
70.99424	0.7
71.01382	5.9
73.02967	1.0
78.43037	0.8
78.95908	1.2
83.01409	0.6
83.06150	2.5
85.02946	1.2
89.02448	2.2
96.96035	1.5
101.02458	4.2
113.02479	1.4
115.00445	0.8
115.24973	0.6
115.82768	0.6
132.64424	0.6
135.04555	1.1
152.99538	0.7
159.03011	0.7
161.04558	2.6
168.39926	0.7
221.15666	0.8
241.00262	2.3
265.14453	1.9
317.17151	7.2
351.15921	9.8
361.92657	0.6
506.28403	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94730	1.1
59.01379	100.0
61.98832	4.6
69.58828	2.5
69.59246	4.4
71.01386	25.6
73.02943	20.8
79.54500	1.2
83.01381	6.7
85.02949	6.2
87.00893	2.0
89.02454	7.9
95.01369	1.4
96.53225	1.0
98.19950	2.1
99.00846	1.7
101.02448	21.8
113.02465	8.6
119.03484	3.0
135.04552	1.3
143.03491	2.1
160.05305	8.7
161.04547	3.8
161.06027	4.1
163.07655	3.0
226.80002	1.3
241.12303	9.0
279.55594	1.3
284.12927	5.2
302.13919	2.1
303.21783	5.6
362.31433	1.2
369.48145	1.2
403.17758	3.3
421.18622	10.4
446.18280	2.5
447.26221	7.2
463.19327	1.9
464.19434	1.7
465.26935	7.2
506.20135	1.5
507.28058	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.9
57.03455	1.1
59.01381	100.0
61.98834	5.2
66.15469	0.7
69.03454	1.6
69.23742	1.9
69.24158	4.9
71.01379	22.7
72.99319	1.1
73.02948	19.1
80.57052	0.7
83.01392	5.3
85.02940	5.4
87.00889	1.1
89.02441	6.9
95.01405	1.4
97.02977	1.0
98.20733	1.0
99.00894	1.2
101.02444	19.1
113.02458	7.7
119.03539	2.6
124.11083	0.7
125.02430	1.5
126.50508	0.7
127.11305	0.8
131.03528	0.9
135.04544	0.9
143.03476	1.8
149.04594	1.7
157.08760	0.8
160.05280	5.5
161.04582	4.5
161.06108	3.4
163.07666	3.4
179.05602	1.4
213.12831	0.9
221.06648	0.8
241.12329	8.4
259.13425	0.9
284.12930	4.0
285.20667	1.1
302.14102	1.5
303.21780	5.5
309.41296	0.9
403.17529	3.5
421.18735	8.0
446.18164	2.2
446.24142	1.0
447.26031	5.5
463.19727	1.7
464.19492	2.2
465.27042	9.0
489.27380	1.8
506.27557	1.3
507.28085	54.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2571
Annotation	Amoritin
Peak:m/z	Relative Intensity
52.16804	0.7
59.01360	1.8
61.98818	2.5
69.93397	2.8
73.72643	0.5
78.95902	29.5
96.96941	1.8
97.06613	0.6
110.05991	0.6
124.93704	0.6
150.98027	0.6
152.99582	41.1
153.99904	0.8
171.00653	1.8
227.03236	6.9
245.04265	1.4
277.21701	100.0
277.78033	0.6
278.22079	5.2
302.18777	0.6
404.24594	0.6
413.21066	0.9
505.25723	68.1
506.25970	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	506.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49031	1.3
58.00582	2.3
59.01377	38.8
61.98830	2.2
63.47058	1.5
71.01384	28.8
72.00920	13.9
72.99295	3.9
77.58011	1.7
85.02942	4.0
87.00896	2.0
89.02444	43.7
92.01485	1.5
95.01340	1.8
101.02444	13.6
113.02449	10.2
115.00272	1.7
119.03512	16.5
131.03531	1.6
133.01399	3.5
135.04494	2.4
143.03485	5.7
147.04520	47.4
161.04550	5.0
164.07161	96.1
165.05583	1.9
179.03479	1.4
179.04042	2.5
179.05597	27.1
191.05605	1.7
209.04503	2.2
283.01379	2.0
341.10858	100.0
342.11038	3.5
371.16470	1.9
457.06262	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.1
59.01382	28.5
60.01712	2.0
61.98835	12.9
69.03481	1.4
71.01383	29.0
71.52735	1.1
72.01689	1.2
72.99301	4.1
73.02944	3.8
78.26675	0.8
83.01380	1.5
85.02951	4.0
87.00391	0.7
87.00851	5.3
89.02453	7.8
89.65279	0.8
91.38287	0.9
93.04709	0.9
94.99551	0.9
99.00868	1.3
101.02448	5.5
101.07164	0.9
106.06574	1.0
109.02963	0.8
113.02453	6.4
113.05901	0.8
114.02792	1.4
115.00373	48.6
119.03477	1.7
121.02932	1.3
133.01431	100.0
134.03740	1.4
135.03021	1.1
135.04504	3.4
136.01619	3.5
143.03491	1.3
151.03966	3.0
159.04512	2.7
160.05302	2.6
160.68765	0.8
161.04506	1.3
172.05307	6.8
173.06035	2.4
174.06885	1.4
177.01906	1.9
185.06070	1.0
187.03987	4.4
197.06062	1.3
199.04022	2.5
200.04770	1.7
201.05574	2.1
202.06238	2.0
204.04204	1.4
207.98196	0.9
209.11774	2.2
225.09146	1.1
227.03442	5.9
228.04189	3.7
229.08557	1.2
230.18301	1.1
245.52364	1.0
253.08452	1.0
255.13634	1.1
257.15457	1.3
269.04395	1.5
283.13403	45.7
284.06787	1.2
284.13693	2.7
299.09067	1.5
299.16504	1.5
301.14474	18.3
309.15015	5.4
311.12939	2.6
327.15958	10.0
329.08154	0.9
343.12518	1.4
345.17038	44.1
346.17383	3.6
353.13831	1.8
371.14984	24.4
372.15244	2.1
389.16019	2.6
475.17371	4.0
504.32538	1.4
505.18356	6.8
505.26208	2.8
505.32956	2.8
506.18823	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.0989
Annotation	Quercetin 3-(6''-acetylgalactoside)
Peak:m/z	Relative Intensity
59.01382	2.8
61.98842	0.5
63.02396	0.4
65.00324	1.2
69.24756	0.4
69.25163	2.4
71.01376	1.1
73.02923	0.3
74.12666	0.3
83.01381	0.9
89.02441	0.8
91.01895	0.3
99.00867	0.4
101.02436	0.4
107.01392	2.7
108.02168	1.8
109.02959	1.7
113.02415	0.4
119.01366	0.6
121.02945	1.8
124.01713	0.4
125.02473	0.4
133.01425	0.8
135.00883	1.4
135.04512	0.7
139.04088	0.3
148.01646	2.1
149.04579	0.4
151.00369	10.5
151.01582	0.6
151.90683	0.3
152.00725	0.5
159.04497	0.4
161.02509	0.4
163.00381	2.8
164.01128	1.0
178.99855	5.7
179.03394	0.8
183.01207	0.9
183.04381	0.4
187.03984	0.6
190.99899	0.6
192.00652	0.6
193.01472	0.3
198.03085	0.3
199.03931	1.1
201.02023	0.3
201.05560	0.6
203.03513	0.7
211.03981	1.3
215.03609	0.6
216.04274	0.7
226.02711	1.8
227.03532	3.4
229.05037	1.0
239.03456	0.4
241.00195	0.6
243.02971	14.3
244.03494	0.9
245.04524	1.7
254.02242	2.2
255.02972	31.4
256.03412	1.7
271.02466	65.9
272.02963	5.3
273.04010	0.8
283.02386	1.1
299.02060	1.5
300.02734	100.0
301.03467	46.2
301.16602	0.9
302.03940	2.6
325.14484	0.5
343.04385	0.3
343.11746	0.4
356.88632	0.3
389.08673	0.4
407.22690	0.5
463.08896	3.3
475.64255	0.3
505.09872	67.4
505.20273	3.4
506.10226	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	503.3381
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
55.24797	0.3
59.01381	19.1
61.98833	3.3
69.45583	0.7
69.45983	2.3
71.01384	1.4
71.05018	0.8
73.02930	1.0
85.02924	0.8
101.02431	1.0
106.06628	4.1
113.02467	0.6
136.07683	3.1
150.05583	1.2
162.05626	0.3
192.19878	0.4
213.72202	0.4
253.43124	0.4
299.14014	5.9
300.14301	0.4
341.15112	0.9
377.28531	0.8
393.31595	0.6
407.29517	0.5
419.29492	1.2
443.31454	1.6
453.30325	0.4
459.34656	0.5
485.32697	12.3
486.33008	2.0
503.33765	100.0
504.34109	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	504.0007
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	24.6
60.01706	1.5
61.08408	0.6
61.98829	100.0
62.98532	0.7
64.40720	0.4
65.15121	0.4
65.50089	0.5
68.31783	0.5
69.96237	0.5
71.50236	0.9
174.99269	4.8
175.99565	0.5
189.71669	0.5
201.02538	3.2
202.02719	4.0
203.02267	3.2
204.00008	5.9
204.02786	1.4
205.00009	0.5
217.00270	21.0
218.00648	7.2
219.00693	2.0
219.97745	49.6
220.99712	1.5
346.01007	0.8
359.01599	1.4
360.01639	6.8
361.01367	7.1
361.98685	19.2
363.00681	1.1
503.96115	1.0
504.95923	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67098	0.1
59.01380	0.5
61.84347	0.1
61.98819	0.1
68.07655	0.1
71.01405	0.1
71.52200	0.1
78.95901	6.2
84.44086	0.1
96.96998	0.1
97.60242	0.1
107.04134	0.1
152.99583	0.9
168.04308	1.5
171.00653	0.1
210.14581	0.1
224.06937	0.9
242.07979	2.9
242.10382	0.1
261.22180	0.4
277.21704	1.2
279.23267	100.0
280.23611	6.2
444.31921	0.3
456.81409	0.1
493.04553	0.1
504.30869	6.3
505.24738	0.5
505.31683	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3375
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
55.05103	0.4
57.03431	0.6
59.01382	5.5
60.42485	0.4
61.98816	1.5
69.03456	0.7
71.01357	1.2
71.04336	0.5
71.51933	1.2
73.02940	0.5
78.95898	3.3
83.05014	0.8
93.03440	0.7
97.02911	0.6
101.02446	0.5
110.98513	1.9
113.02467	0.6
113.09709	0.6
120.61224	0.4
135.04482	1.0
135.11790	1.2
151.83795	0.5
152.99559	2.3
159.08095	0.6
161.02490	0.6
161.09717	6.3
167.01175	0.7
167.10786	1.1
175.11246	0.5
179.10780	6.8
183.10388	0.7
185.02252	1.3
193.12427	0.7
195.10260	0.8
235.13316	0.7
255.21194	0.7
261.00851	0.6
317.21173	1.5
335.22275	6.1
357.25336	0.6
409.31271	0.7
503.33786	100.0
504.34048	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	503.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17614	0.4
54.57394	0.4
59.01378	100.0
59.42401	0.6
60.01707	0.6
61.98816	0.8
67.83874	0.4
69.17106	2.9
69.17532	2.0
71.01368	2.2
73.02936	0.7
85.02978	0.8
89.02450	1.2
99.51087	0.5
113.02485	1.6
133.01433	0.8
161.04556	1.1
171.67319	0.4
177.02003	1.1
266.19058	0.4
268.18011	0.5
273.35852	0.5
299.97092	0.5
333.56894	0.5
383.20682	1.1
387.14694	1.0
401.22104	1.0
443.22961	0.6
456.68442	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.1
55.29090	0.7
57.03456	3.2
58.62987	0.6
59.01380	100.0
60.01699	0.9
61.98838	2.1
71.01380	22.2
71.52331	1.2
72.99323	1.9
73.02953	7.0
83.01398	3.1
85.02950	8.7
87.00883	1.9
89.02452	15.0
89.03015	0.9
95.01395	1.9
96.95998	1.7
99.00902	2.0
101.02444	13.9
106.22903	0.8
111.00933	0.8
113.02451	12.9
115.00347	1.6
115.04031	0.8
119.03502	6.1
123.08183	0.8
125.02496	0.9
131.03479	1.1
133.01447	2.8
133.02971	1.9
135.04549	2.6
137.02423	1.7
143.03546	2.7
146.08316	1.0
155.03207	0.8
159.02974	0.8
161.02588	0.9
161.04570	5.2
172.05298	0.9
177.01927	3.9
179.03481	1.2
179.05655	2.9
205.81342	0.8
211.17149	1.2
229.18080	1.3
281.17679	1.5
299.09412	2.4
299.18787	1.1
307.13373	1.2
325.14597	1.7
341.26984	1.6
343.15363	1.4
359.28067	1.5
369.13565	2.5
387.14529	1.3
399.20181	1.3
417.21188	5.5
417.26172	0.8
425.25598	1.1
443.26773	4.4
459.22357	18.9
459.28458	1.1
460.22855	1.6
503.18488	1.1
503.25809	1.3
503.32568	14.0
504.32715	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
69.86760	2.7
71.01387	1.5
84.11356	0.6
89.02412	0.9
90.02262	0.7
101.02441	1.0
105.22965	0.7
113.02451	1.1
137.18494	0.6
153.00357	0.8
202.62703	0.8
370.20013	0.7
383.21118	1.3
401.22003	1.7
441.15387	0.7
443.22809	0.9
448.85849	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	2.7
59.01381	87.3
62.11462	2.0
70.97887	6.1
71.01387	27.2
72.21729	2.3
73.02939	8.7
83.01370	4.4
85.02947	8.3
89.02438	9.2
101.02466	13.5
101.54203	2.4
113.02450	9.4
119.03480	4.0
129.00371	2.6
133.01422	2.8
143.49817	2.5
167.14380	3.8
177.01987	4.2
237.14865	4.5
239.05460	2.4
255.16055	5.8
376.67505	2.6
393.79541	2.8
399.20209	10.1
417.21170	34.3
459.22336	100.0
460.22806	7.4
471.60602	2.8
503.32755	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	503.1923
Annotation	Gaultherin B
Peak:m/z	Relative Intensity
55.01875	1.5
57.03440	0.9
58.00579	0.6
59.01381	14.8
61.71313	0.2
67.87041	0.3
69.22756	2.6
71.01384	11.6
72.99291	0.9
73.02952	3.2
83.01389	2.8
85.02949	5.3
86.00101	0.6
87.00887	1.7
88.91574	0.2
89.02451	2.8
95.01373	0.9
97.02946	0.4
99.00891	1.4
101.02455	7.1
108.02168	0.4
109.02956	0.6
111.00903	0.9
113.02454	3.4
119.03475	0.8
131.34312	0.2
135.04549	0.4
141.01961	0.3
142.33559	0.3
145.02979	2.3
146.03709	0.3
147.04527	0.9
159.02933	0.4
161.04530	0.3
203.12628	0.3
208.02643	0.3
211.07634	0.5
222.06914	0.5
223.07625	0.4
224.04736	0.8
224.08231	0.3
224.75006	0.3
237.05568	0.4
237.09230	0.4
238.06300	0.8
239.07123	1.2
249.09285	0.3
250.06308	0.4
250.91170	0.3
251.07166	0.5
251.24144	0.3
252.04211	0.6
255.10226	0.5
265.04874	0.5
265.08640	1.8
266.05771	1.2
267.06604	2.8
267.09924	0.5
268.07364	1.4
269.07587	0.4
275.07098	0.8
277.08704	0.3
280.07385	2.5
281.08145	0.8
282.08975	5.0
283.09689	3.5
284.10342	0.7
293.08191	4.6
294.08853	1.7
295.09760	5.3
296.07028	0.5
296.10379	0.8
299.19165	0.3
308.10468	0.4
309.11243	1.5
311.09201	5.9
311.12787	0.4
312.10098	1.8
313.10779	1.0
314.07986	3.1
325.10751	0.8
326.11581	13.0
327.12329	10.3
328.12662	0.6
330.36340	0.3
340.09570	1.3
341.10336	0.5
341.13904	13.4
342.14322	1.0
355.11819	7.8
356.12042	0.6
368.12457	0.6
369.13385	1.7
381.13287	0.3
411.14523	0.4
445.15155	1.3
449.57175	0.4
473.14453	6.7
474.14865	0.5
488.16818	10.0
489.17108	0.9
503.19229	100.0
504.19562	10.8
504.27048	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.0
57.03431	1.1
58.00577	0.6
58.45228	0.3
58.72900	0.4
59.01379	21.4
61.98813	1.2
65.21375	0.3
67.15467	0.4
69.63271	1.8
71.01014	0.7
71.01384	11.2
72.99290	1.4
73.02951	3.2
75.00890	0.4
75.79478	0.4
83.01393	1.9
85.02954	4.5
86.00089	0.7
87.00879	2.6
89.02430	2.3
95.01364	1.0
96.96020	0.5
98.19944	0.5
99.00874	1.5
101.02448	7.6
105.54022	0.3
111.00892	0.8
113.02443	3.1
115.00336	0.7
119.03527	0.8
121.49850	0.4
133.01414	0.8
135.04491	0.6
137.02455	0.7
137.93419	0.4
141.01924	0.4
145.02994	1.8
145.49498	0.3
145.74522	0.4
146.03755	0.6
147.04532	1.3
149.82120	0.3
158.71977	0.5
159.02946	0.5
172.08575	0.4
211.07672	0.5
211.17271	0.4
222.06767	0.4
224.04747	0.6
224.08273	0.5
238.06345	1.1
239.07161	1.0
252.04300	0.8
265.08658	1.2
266.05777	0.9
267.06610	3.2
267.10281	0.8
268.07272	1.5
275.07117	0.7
276.07965	0.4
277.08344	0.4
280.07312	2.1
281.07971	1.0
282.08960	5.2
283.06769	0.5
283.09641	2.7
284.10318	0.4
293.08206	4.7
294.08868	1.9
295.09747	5.7
296.06903	0.5
296.10089	0.7
299.09387	0.5
309.11322	1.6
310.11874	0.7
311.09268	4.8
312.09824	1.7
313.10815	0.7
314.07999	3.7
314.87952	0.4
325.10757	1.2
326.11575	15.7
327.12363	10.8
328.12735	0.7
340.09384	1.3
341.09763	0.8
341.13907	12.9
342.14352	0.9
355.11874	8.5
356.12036	0.8
356.90759	0.4
368.12894	0.7
369.13596	1.9
445.15051	1.5
455.13232	0.9
473.14496	6.8
474.14719	0.9
488.16852	10.4
489.17001	1.1
503.19229	100.0
504.19556	9.9
528.33771	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.5
70.64879	3.4
71.01379	32.2
72.99304	3.9
89.02449	2.4
93.03457	10.2
96.95987	2.6
96.96976	1.6
107.04993	1.2
115.00377	57.5
115.69201	1.1
119.05027	5.6
121.06587	3.4
122.03758	1.6
131.05002	2.1
133.01430	73.8
133.67479	1.1
135.04549	5.9
143.05002	1.6
145.02892	1.3
147.04520	22.0
149.02654	1.2
149.06082	59.6
161.06018	1.4
163.03946	1.4
173.02454	1.1
174.03185	5.0
175.03987	4.7
183.08057	1.4
185.09686	2.0
187.03990	1.9
202.78737	1.2
209.05980	1.4
211.07419	1.5
221.06071	4.0
222.06805	3.3
225.05602	1.2
226.06310	3.2
227.07170	6.9
227.10620	1.4
237.09261	5.9
238.06317	3.4
239.07175	10.3
241.53397	1.1
253.08698	3.7
255.10266	68.2
256.10553	4.4
265.04999	1.3
265.22684	1.1
281.08255	7.5
299.09232	100.0
300.09494	7.5
311.05728	1.8
325.07193	5.1
343.08203	19.3
344.08472	1.8
387.07089	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67773	0.9
59.01377	1.5
61.98833	100.0
71.01395	0.8
71.31400	1.6
78.95908	4.7
85.68144	0.9
98.25103	0.8
152.99539	1.1
160.59334	0.8
161.94695	0.8
183.22729	0.9
275.23862	1.1
305.24847	5.8
384.39734	0.9
502.31943	3.4
503.33875	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	502.266
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04649	0.6
59.01374	1.8
61.98830	100.0
73.50472	0.6
78.95909	7.0
85.50250	0.6
89.06075	0.7
93.74487	0.6
152.99628	1.5
171.00706	1.0
196.03773	1.4
286.87247	0.7
296.19644	0.6
305.24857	9.2
306.25455	0.6
310.72708	0.7
385.84476	0.6
502.28604	3.8
503.33792	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	502.294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77151	0.1
59.01380	1.2
71.01389	0.4
71.22189	0.3
78.95905	7.1
100.00949	0.1
111.23923	0.1
152.99594	0.6
168.04295	1.8
204.49069	0.2
224.06934	1.2
224.80447	0.2
233.22823	0.3
242.07980	3.3
259.20633	0.5
275.20218	0.5
277.21701	100.0
278.22049	6.9
427.32559	0.1
502.29343	6.8
503.29919	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.7
56.88969	0.4
57.03448	3.3
58.00592	2.2
59.01379	100.0
60.01722	0.9
61.98829	5.2
69.48859	0.4
71.01380	55.6
71.52659	0.9
72.01743	0.7
72.99311	3.9
73.02943	12.3
75.00883	0.8
83.01385	6.8
84.02147	0.5
85.02947	20.3
86.00085	0.9
87.00874	4.4
87.04518	5.0
89.02444	45.7
95.01385	4.2
97.02959	1.1
99.00877	4.8
99.92585	2.9
101.02440	49.6
102.02814	0.8
111.00882	1.9
113.02448	25.4
114.02811	0.6
115.92068	4.4
116.91986	0.6
116.92186	0.3
116.92855	21.2
119.03498	25.5
125.02509	1.2
129.01952	1.1
131.03500	3.0
135.04515	2.1
137.02475	0.9
143.03484	6.4
149.04564	2.7
159.02982	2.7
161.04550	16.9
179.05608	13.4
223.13445	0.6
251.20035	0.5
264.80060	0.5
297.24313	0.5
333.47180	0.5
339.25406	0.9
413.25415	8.5
414.25894	0.7
425.25418	4.5
457.11545	0.7
483.29645	2.4
493.14752	0.6
501.10599	1.7
501.30728	42.0
502.31250	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.8
57.03452	0.8
58.00594	0.9
59.01379	100.0
60.01702	0.9
69.19867	3.0
69.20296	1.6
71.01382	20.4
71.01781	1.0
71.05019	0.6
72.01730	0.6
72.99310	0.7
73.02945	12.4
83.01384	3.3
83.82822	0.5
84.34604	0.4
85.02953	5.8
87.00882	0.8
89.02447	10.3
93.15766	0.5
95.01390	2.5
99.00909	1.2
101.02443	15.5
101.06094	2.0
105.03484	0.6
111.00937	0.5
113.02452	11.8
119.03498	3.5
121.50793	0.5
125.02456	0.5
131.03487	0.8
133.01447	0.7
133.02956	6.6
135.04565	1.1
137.02480	0.7
143.03520	1.5
149.04631	0.7
159.03004	0.6
161.04556	4.0
177.01912	5.8
177.12833	10.3
178.02718	0.6
179.05647	1.0
181.05025	0.6
185.68903	0.6
192.04356	1.9
207.06694	1.6
245.10315	2.5
263.11426	1.8
279.19739	0.9
347.53513	0.5
385.09479	0.6
423.23865	15.3
424.24402	1.3
441.24890	22.5
442.25391	1.4
459.26050	4.9
483.25949	5.3
501.27567	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53754	0.4
55.01875	0.9
57.03449	1.0
58.00591	0.9
59.01378	100.0
60.01695	0.7
61.40075	0.5
64.13359	0.5
69.41666	1.1
69.42071	2.7
71.01379	25.2
72.99311	1.2
73.02948	12.9
83.01385	4.6
85.02960	5.7
87.00882	1.3
89.02442	14.1
95.01395	2.6
96.96020	1.1
97.03004	0.5
99.00880	0.8
101.02438	15.6
109.02996	0.5
113.02448	19.7
115.00414	0.6
119.03503	5.9
121.02873	0.6
125.02470	0.9
131.03519	1.7
133.01476	0.6
133.03038	1.2
135.04543	1.4
143.03500	1.5
149.04582	1.4
155.03479	0.7
161.04544	4.5
177.01956	1.1
179.03616	0.6
179.05540	2.7
180.81433	0.6
181.05046	0.7
191.05609	0.8
233.04355	1.7
423.23523	0.6
441.25159	5.1
459.26187	2.0
501.13794	0.7
501.29974	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.7
57.03451	0.9
58.00592	1.9
59.01379	100.0
60.34079	0.4
67.46431	0.4
69.03461	0.6
69.29515	3.2
70.31216	0.3
71.01382	37.0
72.99307	1.4
73.02947	17.1
75.00899	0.6
83.01392	4.5
85.02944	8.2
87.00884	1.7
87.91139	0.4
89.02444	27.9
95.01385	2.5
97.02944	0.5
98.19904	0.6
99.00895	1.3
101.02441	22.4
102.02815	0.7
113.02450	22.3
118.82479	0.4
119.03510	10.9
125.02453	1.4
131.03499	2.4
135.04498	0.4
137.02481	1.2
143.03511	3.2
149.04546	2.1
161.04562	4.7
161.66336	0.4
177.01871	0.4
179.03493	0.6
179.05634	4.6
204.02512	0.4
242.91879	0.5
265.18042	0.6
427.23254	4.0
441.24942	2.3
459.26141	2.2
483.26392	0.9
501.27307	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89024	0.4
55.01877	0.5
57.03450	1.0
58.00603	0.9
58.18654	0.4
59.01380	100.0
60.01706	0.5
68.42323	0.4
69.73750	0.8
69.74159	1.6
71.01382	22.7
72.99305	1.0
73.02950	13.3
83.01380	3.8
85.02950	5.9
87.00888	0.9
89.02443	16.1
95.01406	1.5
99.00902	0.5
101.02444	15.0
101.03109	0.8
107.21741	0.4
113.02451	15.4
114.02856	0.4
119.03500	5.9
125.02472	0.6
131.03539	1.5
143.03513	2.3
149.04575	1.5
161.04575	4.0
161.05806	0.7
175.80241	0.4
175.96410	0.4
179.05673	1.4
182.51181	0.4
441.25116	2.3
459.25784	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01679	0.8
61.98822	2.3
69.28384	2.1
69.28801	3.4
71.01371	6.0
71.01682	0.6
73.02959	0.8
75.00858	0.7
78.95889	0.8
83.01398	0.6
85.02940	1.8
89.02435	3.1
98.20613	1.2
101.02435	4.0
101.06104	1.0
110.98565	0.6
113.02470	2.2
119.03519	2.2
131.78229	0.6
133.01495	0.7
144.35367	0.7
161.04503	1.3
172.96040	0.8
177.01933	0.9
179.05650	1.7
284.10675	0.7
354.10236	0.7
360.67578	0.8
399.24072	2.1
401.43259	0.7
501.32220	2.9
502.32526	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.6
58.00610	0.6
59.01380	100.0
59.67642	0.5
60.01721	0.9
60.24320	0.5
61.98838	3.8
71.01383	8.1
71.52595	0.6
72.99306	0.5
73.02943	3.1
83.01413	1.6
85.02940	3.6
87.00906	0.6
89.02443	4.4
95.01425	0.5
101.02442	6.1
105.00117	0.6
111.00894	2.0
113.02449	3.2
119.03503	1.9
123.19870	0.5
135.04541	1.4
137.02512	0.4
143.03473	0.6
147.31046	0.5
161.04597	2.6
179.05553	0.7
180.05234	0.5
262.97229	0.5
279.89227	0.6
441.25305	0.8
455.15240	0.5
464.16217	0.5
471.14401	1.1
486.17169	1.4
501.19864	2.1
501.31216	11.7
502.31573	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.6
56.92830	0.4
59.01379	100.0
60.01718	0.7
61.98827	2.3
70.28225	1.0
70.28592	0.9
71.01383	10.9
72.99325	0.5
73.02950	2.7
83.01400	1.7
85.02942	4.9
87.00891	0.9
87.04537	1.0
89.02446	9.1
95.01408	0.9
99.00901	1.0
101.02436	8.8
113.02448	5.2
119.03509	5.4
131.03528	0.5
135.04539	0.9
143.03519	1.3
161.04588	3.4
179.05627	2.0
183.11015	0.4
261.24506	0.5
372.33301	0.6
413.12228	0.4
413.25592	1.9
425.24915	0.7
501.30807	11.0
502.31689	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67891	1.3
59.01385	5.9
69.20156	4.9
69.20580	7.9
71.01406	1.3
74.62767	1.3
96.95990	7.0
99.92607	1.4
100.18083	1.4
112.95671	1.1
116.92867	2.1
119.05049	7.3
121.02943	6.9
123.04561	3.1
124.01663	1.8
133.01440	2.0
134.03748	1.3
135.04529	14.5
136.05302	37.5
151.03969	3.2
151.07605	1.8
161.02464	1.6
162.03227	2.2
177.05585	10.0
193.28265	1.2
195.06616	100.0
196.06972	3.9
202.02458	24.3
213.89325	1.2
217.04793	52.3
218.05217	1.5
235.05917	2.7
239.05553	9.6
261.03873	1.7
357.08652	1.9
413.12180	23.1
414.12860	1.6
457.15146	1.9
501.14063	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	501.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03160	1.0
55.01887	0.9
57.03460	1.2
59.01383	100.0
61.98824	1.2
62.47312	0.9
68.68660	0.9
69.53638	6.7
71.01385	17.2
73.02959	5.1
77.49577	0.9
77.50022	0.8
83.01363	2.4
85.02943	6.4
89.02450	11.6
95.01360	1.0
99.00916	1.2
101.02450	10.6
104.73132	1.0
113.02467	9.2
115.00343	2.2
119.03521	2.9
125.02438	1.2
131.03485	3.1
133.01437	3.5
135.04498	3.4
143.03481	1.7
149.04538	1.2
159.04527	1.3
161.04523	2.7
165.86882	1.0
175.05995	1.0
179.05530	1.5
180.28334	1.1
181.05087	1.6
202.06306	2.5
231.10265	6.1
238.21988	1.1
275.09222	2.2
277.11014	1.0
323.05255	1.4
341.06680	3.7
361.05554	1.1
397.15097	2.7
415.16043	1.4
418.14783	1.3
421.71564	1.4
439.13702	1.2
441.24893	2.5
501.30618	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	500.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40688	0.3
61.98821	0.7
62.96398	0.2
70.38108	1.0
70.62607	0.2
71.01395	0.5
77.41943	0.3
78.95901	100.0
89.09488	0.3
94.61321	0.2
96.96960	8.1
109.43670	0.3
140.01180	0.5
150.98022	0.5
152.99576	16.0
171.00633	19.7
214.04802	0.3
277.21768	0.8
289.30869	0.2
426.24185	1.2
448.18964	0.3
468.80978	0.3
500.27792	56.9
501.27884	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	501.0266
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17653	0.4
53.70537	0.4
55.03114	0.5
59.01380	78.1
60.01709	0.6
61.72894	0.5
61.98814	0.8
69.34144	1.8
69.34564	1.7
72.99305	0.7
90.97154	0.8
95.83276	0.4
98.52478	0.4
117.45012	0.4
127.66911	0.4
132.98225	1.3
152.99391	0.4
157.03523	4.2
159.01514	1.0
163.82993	0.5
174.99242	21.4
191.37590	0.5
201.02551	35.7
202.02658	2.3
217.00287	100.0
218.00632	1.7
343.03702	2.8
344.04013	0.6
359.01456	66.4
360.01636	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	500.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	6.9
61.98823	1.0
62.96414	0.7
64.68025	0.3
69.87039	1.0
69.87433	0.8
71.01382	0.6
78.95905	66.1
83.05011	0.8
96.96956	2.9
119.08714	0.4
122.00150	1.7
124.74545	0.4
128.61829	0.4
134.98573	0.4
140.00099	0.6
140.01190	11.9
152.99593	8.2
163.07671	0.4
166.02779	0.6
169.18968	0.3
171.00638	5.5
184.99261	0.4
196.03793	20.8
197.04117	0.4
205.19597	1.5
214.04855	5.3
231.21231	0.6
259.24329	7.5
285.22168	0.4
289.01068	0.4
289.03723	2.3
303.23297	100.0
304.20532	0.7
304.23669	6.5
500.27817	48.5
501.27744	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	499.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
67.05425	1.8
71.01359	5.6
71.51653	2.1
73.59245	2.1
81.14208	1.7
91.04004	2.6
96.93286	2.1
108.02370	1.9
121.98264	1.6
142.65608	1.8
147.73114	2.1
149.02090	1.9
177.05524	9.3
283.13290	2.7
365.26987	10.1
457.30542	3.5
499.31012	9.5
507.05627	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	500.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42096	0.6
59.01380	5.6
60.76750	0.5
65.58965	0.5
69.33794	0.5
71.01383	0.9
78.95905	12.5
83.05035	0.8
107.77132	0.5
122.00101	0.5
140.01184	4.2
152.99542	1.5
194.38257	0.5
196.03807	2.3
214.04883	5.5
229.11349	0.8
259.24304	6.9
272.23343	0.8
285.22253	0.7
303.23282	100.0
304.23569	7.0
312.24673	0.6
405.13370	0.5
500.27805	9.9
501.27603	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.255
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27967	0.3
59.01379	100.0
60.01719	0.8
65.16440	0.4
71.01388	0.7
71.29430	0.5
71.29751	0.4
85.02962	0.7
98.31862	0.3
99.52740	0.4
99.68620	0.4
101.02444	0.7
126.81037	0.4
161.04564	0.5
216.86644	0.3
217.69765	0.4
225.21722	0.3
238.71033	0.4
242.58794	0.4
397.22452	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.2
57.03450	2.3
59.01380	70.2
60.01706	0.5
61.08534	0.5
64.65210	0.5
69.03457	0.8
69.30121	4.8
71.01381	18.6
72.99311	1.7
73.02943	16.1
75.00912	0.7
83.01383	4.6
83.05054	0.5
85.02961	5.4
86.53035	0.6
87.00883	2.4
89.02448	4.3
92.18164	0.5
95.01408	1.8
98.19809	1.0
99.00879	1.0
101.02448	13.2
113.02451	5.0
116.29760	0.5
119.03512	1.9
123.08152	3.6
125.02486	0.6
135.04425	0.8
137.09677	0.6
161.04585	1.2
165.76187	0.5
174.47543	0.5
174.86086	0.5
221.18944	0.7
232.14513	0.5
233.19022	1.9
237.31412	0.5
277.18158	5.8
295.19092	2.7
326.37436	0.5
349.20154	0.9
439.23221	7.4
440.23407	0.7
456.70108	0.6
457.24347	14.0
458.24908	0.8
499.25415	100.0
500.25681	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	498.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12465	2.1
59.01374	8.1
61.83762	2.0
61.98824	5.7
65.23318	1.7
65.38590	1.9
71.52069	2.4
71.52498	2.3
78.95905	52.1
85.07551	2.1
87.80164	2.0
108.62174	1.8
134.43698	1.7
140.01210	10.6
152.99451	4.4
196.03775	26.5
214.04851	7.2
257.22760	17.3
301.21704	100.0
302.21973	7.0
349.26910	1.8
397.29935	2.0
461.62256	2.2
479.60480	2.1
498.26273	45.4
499.27042	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	498.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80928	0.7
53.51375	0.8
53.77415	0.7
61.67497	0.8
61.98830	100.0
64.36947	0.8
70.84346	1.9
72.68560	0.8
72.87301	0.8
101.23384	0.8
102.79793	0.8
120.56466	0.8
133.02943	1.8
134.03685	1.5
135.04530	5.5
137.02444	1.3
161.02390	1.8
163.51416	0.9
175.61955	0.7
179.03482	3.0
181.56032	0.9
259.64716	0.8
275.74384	0.8
435.27496	22.0
436.27722	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	499.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.9
59.01379	84.4
61.98831	13.4
71.01380	25.0
71.52365	2.3
72.99295	2.4
73.02955	7.6
78.61063	1.5
80.04159	1.6
81.03474	2.8
83.01389	3.5
83.05023	4.6
85.02963	6.0
89.02425	11.0
89.31854	1.6
91.05531	5.4
93.03477	2.0
95.01331	1.5
95.05009	2.6
97.06615	2.3
101.02447	14.6
107.05031	21.4
109.02969	7.2
109.06592	4.4
110.00056	2.3
111.00794	1.6
113.02456	9.1
119.03490	3.9
119.05032	3.7
121.02947	13.6
121.71802	2.0
122.03808	1.6
131.03435	1.9
133.01453	3.0
133.02980	5.3
135.04521	78.7
136.04845	2.7
137.02466	3.8
137.06084	33.2
137.07053	2.9
145.06598	1.8
159.04498	3.4
161.02431	6.2
161.04596	4.2
161.05870	2.0
162.03220	7.3
163.04019	14.3
172.05295	2.3
173.05942	3.4
177.01825	4.0
177.12753	1.8
179.03477	5.1
181.05064	100.0
182.05492	4.4
188.04797	4.5
189.09441	1.8
200.04768	2.8
201.05582	51.9
201.09258	2.8
202.05956	2.3
203.03554	2.7
203.07132	63.9
204.07449	3.1
211.07562	2.6
213.09204	12.7
227.13026	1.6
229.08691	16.8
231.10262	19.2
245.10304	1.9
269.25323	1.7
277.17990	3.0
365.10275	14.1
383.11368	95.9
384.11679	7.0
393.13364	15.2
411.14426	18.4
412.93918	2.0
421.31738	2.7
437.12213	17.3
438.13040	1.7
439.33011	4.4
455.13440	28.3
456.13541	2.9
499.29376	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	497.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99156	0.3
55.01877	1.0
55.64138	0.3
57.03438	1.0
58.00587	1.3
59.01379	100.0
60.01713	1.0
61.98816	0.7
69.03459	0.5
69.42680	2.4
71.01379	25.4
72.21717	0.4
72.99313	1.5
73.02945	11.6
74.00923	0.3
75.00883	0.5
83.01380	3.3
85.02950	5.7
87.00877	1.1
89.02446	16.5
95.01370	2.0
96.96049	0.5
97.02971	0.7
98.62139	0.4
99.00882	1.2
101.02441	16.6
113.02456	8.6
115.00410	0.7
119.03488	6.6
125.02441	0.5
131.03496	0.6
133.01459	1.3
133.02928	0.4
143.03525	1.0
149.04536	0.8
161.04541	1.8
177.01918	1.5
179.05626	1.8
217.05136	0.4
220.00293	0.6
221.00827	1.3
240.04352	0.7
264.04202	0.4
275.16690	0.5
311.05737	0.5
316.05713	0.4
331.98157	0.4
337.10782	0.6
363.08481	0.5
381.09753	2.2
411.23987	1.1
437.21692	1.4
453.11853	0.5
455.23059	2.7
497.23904	78.2
498.24280	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	498.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72662	0.5
52.06506	0.5
54.88821	0.6
59.01366	1.4
61.98818	0.7
71.01373	1.0
71.51408	0.7
76.75375	0.5
114.47345	0.5
115.00405	0.7
133.01401	1.0
134.03717	1.5
137.02422	0.6
144.97696	0.5
151.03998	0.8
193.05042	2.2
198.09193	1.2
201.80048	0.5
214.08727	14.0
215.08932	0.7
268.13455	13.1
269.13770	0.8
293.10458	0.7
300.16034	100.0
301.16351	6.3
309.07309	0.5
321.04022	0.8
344.44263	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36688	2.0
56.77463	2.1
57.03421	3.2
59.01381	61.9
61.98802	3.8
62.40768	1.9
71.01379	37.4
71.51582	2.7
72.99274	2.9
73.02940	23.8
80.54356	2.2
82.29224	1.9
83.01340	9.9
85.02913	6.5
89.02393	6.3
95.01341	2.0
99.00815	2.0
101.02443	24.2
113.02409	6.0
115.00360	27.8
119.03461	3.8
133.01430	86.4
135.04515	17.3
135.08154	12.0
137.02371	3.0
159.04411	6.0
161.04437	6.1
161.05855	2.6
172.05276	16.6
173.05971	5.3
178.02660	2.8
179.03494	18.5
185.06007	3.1
187.07660	17.8
199.03981	3.1
200.04706	4.8
201.05431	5.3
214.06183	9.7
215.07114	51.1
216.07535	3.7
231.13861	11.0
265.17813	3.0
291.23270	3.1
295.04553	3.1
335.22305	14.0
343.21039	3.3
359.12747	3.2
393.12943	3.2
419.14594	9.7
437.15878	36.8
438.16354	3.7
453.11279	2.4
479.09271	3.0
479.29324	3.1
497.27051	100.0
498.27362	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	497.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19735	1.6
59.01380	16.1
61.98830	3.0
62.18494	2.0
67.00112	1.8
71.01364	2.3
78.95478	3.6
78.95911	42.7
96.95995	7.7
96.96962	62.7
106.90111	1.9
113.92649	2.9
121.02962	9.1
134.03746	2.4
135.04543	7.8
135.94252	1.9
137.02504	2.1
149.06128	1.9
152.99614	2.6
153.74875	1.9
159.04492	6.5
160.05280	2.4
161.06038	2.7
172.05327	5.5
173.06038	7.8
185.06055	5.0
187.03961	5.4
188.04779	2.8
199.04022	4.9
200.04791	8.8
201.05568	14.4
213.09271	4.2
214.06395	4.5
214.09969	5.7
215.10721	5.1
227.07297	3.0
229.12357	8.5
230.12790	2.5
253.05112	2.4
253.12210	2.7
256.11002	5.9
257.11823	62.7
258.12527	15.9
259.13367	12.8
263.07071	4.4
279.06616	3.3
280.07388	16.9
281.08060	9.9
283.13324	2.8
292.07144	3.1
293.08264	4.6
293.21289	17.9
295.09723	27.5
296.10471	19.5
307.09991	2.3
331.09509	2.0
339.08633	7.1
340.09537	7.0
349.14389	9.9
355.11588	1.8
363.16043	38.4
364.16486	11.3
368.12436	2.4
389.17316	2.3
396.15781	5.1
401.17664	2.6
409.16272	2.0
411.18332	2.5
423.18112	100.0
424.18542	11.4
437.16245	4.5
449.19766	25.4
450.19986	2.4
456.67255	2.0
461.19662	8.6
467.20712	25.1
468.21091	3.8
475.50961	2.2
479.20682	17.7
480.21280	2.5
497.21628	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	496.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.5
61.98829	100.0
69.43799	0.2
71.01391	0.7
71.51865	0.3
71.52245	0.2
71.53374	0.2
73.02930	0.3
76.86951	0.2
89.02457	0.3
96.96014	0.7
104.02667	0.2
109.76686	0.2
113.02467	0.3
115.00427	0.3
124.80128	0.2
150.61943	0.2
168.57741	0.2
293.17792	0.5
293.58737	0.2
452.11166	0.2
496.09592	0.3
497.21024	0.3
517.71185	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.24
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.8
59.05963	0.2
61.98832	100.0
69.22002	2.6
71.01409	0.3
86.09314	0.3
101.02478	0.4
108.38843	0.3
118.66375	0.3
198.66449	0.3
203.22026	0.3
213.16577	0.3
358.27795	0.3
438.73972	0.3
468.75894	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
65.65619	0.9
71.29122	1.4
78.11268	0.7
96.37572	0.7
133.02991	2.2
134.03760	1.6
135.04501	6.6
137.02484	0.9
146.34892	0.7
146.40669	0.8
161.02411	5.4
179.03568	3.3
249.58185	0.7
283.09964	0.9
327.08572	1.3
433.25946	23.5
433.31500	1.3
434.26154	1.8
495.02859	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.328
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74363	1.6
56.15053	1.5
61.98832	100.0
69.04189	1.7
69.26664	7.7
69.27090	5.7
69.57065	1.7
98.19981	3.7
158.96118	1.8
163.10500	1.5
178.24860	1.5
194.34618	1.7
244.47650	1.4
332.09122	1.5
433.33060	8.8
435.51694	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
61.14830	1.0
61.98833	100.0
65.07217	1.1
71.28016	2.2
87.67992	1.0
100.03448	0.9
101.31385	1.1
109.67872	1.1
114.07266	1.1
114.72338	0.9
129.23749	1.0
141.35472	0.9
152.99258	1.0
226.37819	0.9
278.06454	1.0
433.33347	6.6
434.33426	1.5
487.69257	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93081	0.9
55.01855	1.4
57.03446	1.9
58.37312	1.0
59.01378	51.8
60.01717	1.4
61.98820	4.6
70.27650	1.5
70.27997	4.0
71.01385	18.9
72.99297	1.1
73.02958	8.4
83.01360	2.5
83.80447	1.1
85.02953	7.0
87.00877	2.6
89.02438	4.4
95.01415	1.2
99.00867	1.7
101.02440	12.7
107.05019	2.5
108.02136	1.7
109.02965	14.7
109.06592	2.6
109.29991	1.0
111.00973	1.2
113.02457	6.5
115.00365	4.9
119.03468	2.7
119.04996	2.6
121.02957	4.6
128.10085	1.4
132.02194	2.4
133.01433	13.4
133.02934	1.1
134.03737	1.6
135.04509	8.4
135.08188	2.4
137.02551	1.5
137.06084	15.9
161.04536	4.4
171.08119	3.9
175.04057	1.1
176.01015	1.4
177.01898	4.8
179.03453	4.3
181.05070	43.5
181.06519	2.1
182.05484	1.2
183.04445	1.9
183.08104	2.1
185.06042	1.2
186.03236	2.0
190.02768	3.1
197.06003	1.8
198.03259	1.6
199.03851	1.4
199.07648	6.9
199.09207	1.3
201.05611	1.5
205.31224	1.2
211.04028	1.9
214.02682	3.6
215.07083	2.0
216.04224	6.2
222.01677	2.3
225.05548	4.0
227.07187	4.4
228.04076	1.6
229.05032	15.0
230.05295	1.3
231.17671	1.3
242.02184	4.4
243.02869	2.7
243.06601	46.7
244.07201	5.6
253.05011	4.1
257.04575	1.5
271.06116	100.0
272.06793	27.7
273.07394	1.8
291.18063	10.1
311.05630	2.6
312.06219	1.6
335.22266	6.7
381.09665	1.8
399.19983	1.5
437.23993	12.1
448.00253	1.3
453.11856	18.8
454.12131	1.4
497.11066	2.4
497.27463	15.1
498.27710	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93296	0.8
56.62763	0.8
57.03440	1.2
59.01379	100.0
61.98835	5.7
69.39048	5.6
71.01380	13.7
73.02939	4.4
81.53755	0.9
82.44038	0.7
83.01387	2.1
85.02943	7.1
87.00877	1.0
88.07670	3.5
89.02436	2.3
92.05060	75.5
92.17681	0.7
93.05389	1.3
95.01372	1.1
99.00879	1.3
101.02445	8.5
103.87511	0.8
113.02443	7.8
114.05602	4.4
119.03539	1.0
127.40859	1.0
133.01390	2.3
137.22543	0.9
143.03477	1.6
159.02991	1.2
161.04620	3.9
161.36821	0.8
166.23157	0.8
166.24580	0.8
173.12943	14.7
177.10339	16.7
190.07533	1.3
211.96329	0.8
228.93204	0.8
232.08592	1.1
232.11865	3.0
250.12952	2.9
258.09720	1.1
274.66608	0.9
276.10870	1.8
317.17157	33.0
318.11804	1.6
318.17487	1.8
335.18265	13.2
377.19278	4.5
389.76169	0.9
404.42020	0.9
407.96930	0.8
454.19733	1.6
496.20642	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	495.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00582	0.5
59.01381	6.7
61.98825	0.6
69.31030	1.3
69.31457	1.2
71.01379	3.0
73.02943	2.5
83.01379	0.6
85.02943	0.6
89.02448	0.4
95.05030	1.0
96.25236	0.3
101.02441	1.9
107.05027	0.3
109.02945	0.3
113.02448	1.1
119.03494	0.3
120.20132	0.3
125.02428	0.4
130.90909	0.3
133.10170	0.5
135.04527	0.6
151.07639	0.6
161.02428	0.6
161.09743	0.5
166.62654	0.3
229.15926	4.5
247.17027	8.0
248.17250	0.4
263.12906	0.3
273.14923	1.7
291.16003	100.0
292.16367	6.4
305.17538	0.9
315.15933	1.2
333.17041	6.4
333.20944	0.4
334.17398	0.5
495.22345	4.2
495.29404	0.7
505.35205	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67664	1.1
52.05688	1.3
55.01875	1.9
57.03454	1.7
58.00598	1.3
59.01379	100.0
61.98830	10.0
65.38091	1.1
70.18041	4.7
71.01382	40.3
72.99292	1.1
73.02949	16.6
75.00901	1.2
81.03464	1.1
83.01389	9.6
85.02944	25.2
87.00869	2.8
89.02438	6.0
95.01383	2.3
97.02941	1.5
99.00875	5.0
99.53352	1.2
100.66562	1.2
101.02437	27.2
103.04034	2.3
113.02444	13.1
115.00386	1.4
117.63713	1.2
118.04219	3.2
119.03489	2.2
125.02428	3.5
127.11287	1.8
131.03503	1.3
132.81537	1.1
133.01425	2.1
133.02934	3.5
134.03751	3.8
135.04495	4.2
137.02353	1.3
143.03500	1.4
145.05098	1.5
149.02359	1.4
156.14325	1.2
159.03011	3.2
161.02414	3.0
161.04559	15.2
162.03246	1.7
163.04037	5.6
163.06131	3.4
176.01129	1.8
177.01938	3.9
178.02644	1.9
189.01944	7.9
190.02672	6.2
201.01738	1.4
208.76904	1.1
209.04410	1.5
217.01295	1.4
220.00406	1.2
221.00870	2.2
229.01379	1.7
229.07092	1.8
234.01637	9.0
243.06563	1.6
262.01111	8.8
266.00638	2.6
289.16559	31.1
290.16800	2.2
303.18127	1.2
317.13956	2.2
423.07013	5.2
435.22324	58.5
436.22519	4.4
451.10278	5.9
495.09277	2.1
495.25781	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	495.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00603	0.5
59.01379	16.1
61.98796	0.3
69.03469	0.5
69.06939	0.2
71.01379	5.8
72.99328	0.5
73.02946	9.6
76.53281	0.2
79.65137	0.3
83.01386	1.6
85.02970	0.8
86.00087	0.5
89.02431	0.4
93.82951	0.3
97.02951	0.4
98.20735	0.7
101.02449	3.3
109.06594	0.4
111.04543	0.2
113.02435	1.4
121.10180	0.3
125.02436	0.5
135.04517	0.4
137.02484	0.3
155.03477	0.3
162.49390	0.3
163.07654	0.2
175.14914	1.0
203.05598	0.4
203.18002	0.2
216.31653	0.3
219.13852	1.0
229.15962	2.2
233.15500	0.4
243.17577	0.4
245.15366	0.5
247.17015	54.3
248.17372	3.3
261.18561	3.9
262.18994	0.4
271.16898	0.5
273.14938	0.9
289.18188	1.0
291.16003	100.0
292.16360	5.9
315.16010	4.3
333.17029	5.2
334.17416	0.5
339.83441	0.3
452.37363	0.3
495.00363	0.2
495.22263	7.5
496.22858	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.18504	0.9
61.98832	100.0
71.01416	1.0
71.11859	0.9
73.58195	1.0
80.33103	0.8
81.82462	0.8
84.11054	0.8
91.06410	0.8
96.63398	0.8
133.02957	3.2
134.03720	3.1
135.04530	9.0
137.02457	1.3
143.82249	0.9
161.02446	8.5
175.89320	0.8
179.03444	4.3
324.41544	0.9
396.19608	0.9
431.24335	31.0
432.24789	3.7
437.56580	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54485	1.6
55.01863	1.5
57.03430	1.5
59.01377	51.7
61.98813	6.9
66.32805	1.6
70.83273	1.5
71.01375	16.8
71.05009	5.7
73.02949	6.3
79.88144	1.5
83.01388	3.0
85.02946	6.4
89.02444	4.6
89.03969	4.8
96.96003	6.8
101.02442	7.6
101.35773	1.7
104.02660	3.3
107.05022	3.1
109.02909	3.0
113.02456	6.1
117.03455	8.6
118.04251	29.5
119.05060	2.4
121.02975	1.9
133.01401	3.7
133.02966	9.8
134.03749	13.1
135.04524	11.3
137.02434	2.0
141.01637	3.2
145.02946	2.6
146.24002	1.7
147.04526	2.0
148.01633	3.8
150.03098	1.6
150.05748	2.0
159.04492	4.7
160.05272	2.7
160.22684	1.7
161.02414	9.3
161.04517	2.0
162.03220	22.5
163.04010	33.4
173.02359	3.0
173.06110	2.4
174.03151	2.2
175.03972	2.0
176.01086	5.5
177.01918	17.2
177.09047	2.1
178.02530	2.7
179.03442	2.0
183.10201	2.4
185.02397	1.6
186.05525	1.8
189.01921	60.6
189.09196	3.5
190.02704	65.5
191.03453	11.1
192.00618	1.9
201.01929	12.5
202.02663	2.5
203.03601	3.2
205.01453	2.0
206.02150	2.1
207.02977	2.9
215.03482	2.1
217.01404	21.3
218.02174	15.8
219.02846	3.0
220.00102	4.5
221.00847	7.5
222.01466	2.5
222.04634	1.7
227.07176	3.0
229.01469	10.1
229.05016	9.3
233.00879	3.3
234.01677	91.6
235.02023	3.0
243.02913	2.0
243.06599	9.0
244.07285	5.0
245.00865	2.3
261.00305	9.4
262.01154	100.0
263.01724	8.6
266.00610	28.7
267.01129	2.0
273.00568	8.7
275.01740	1.9
288.06375	1.7
291.06622	1.7
307.06262	1.8
308.81619	1.7
316.05737	5.1
317.14090	2.1
327.21777	3.1
335.05734	2.3
359.05539	2.6
360.06253	1.9
363.08704	1.9
379.11865	3.4
389.10190	10.1
391.04303	1.6
404.05936	1.9
407.11438	2.7
412.18674	2.0
423.06702	3.1
423.11664	2.6
433.09338	10.0
451.10321	61.0
452.10532	4.8
457.09717	2.0
477.07928	2.8
494.30756	3.1
495.09045	4.1
495.22870	6.1
496.20758	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	493.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.6
58.00608	2.3
59.01377	100.0
61.98823	5.6
62.70691	2.0
67.31625	2.0
70.84051	5.7
71.01008	4.4
71.01382	59.3
73.02945	13.5
81.03445	2.4
83.01391	7.3
85.02950	16.7
87.00851	2.7
87.04533	2.7
89.02447	49.2
95.01393	4.8
99.00830	3.2
101.02437	43.8
113.02455	21.0
119.03485	22.6
131.03511	2.8
143.03481	6.3
159.02983	3.5
161.04570	25.9
177.01938	2.4
179.05627	19.9
271.19019	5.9
320.92355	2.3
384.86996	2.1
401.07425	2.0
415.23505	6.0
433.24411	74.8
434.24789	7.6
493.07657	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02694	3.5
59.01376	59.8
60.99298	15.8
61.98817	15.2
66.69164	3.0
69.92004	16.6
71.01388	15.9
73.02940	9.9
79.95696	3.4
83.01407	4.5
85.02953	4.6
88.98805	100.0
89.02443	4.1
99.00901	3.4
101.02409	9.7
107.38789	3.3
113.02417	6.8
125.02460	3.9
135.04518	10.6
161.06197	3.5
167.09056	3.2
189.01776	3.5
234.26027	3.9
289.14026	4.4
368.84879	3.2
471.75363	4.0
493.28052	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
61.61360	2.5
61.98829	16.8
63.56374	2.3
71.01388	25.2
71.51262	2.6
73.02934	22.2
83.01404	4.1
85.02977	3.4
89.02460	9.5
101.02441	26.3
108.48079	3.0
113.02422	13.6
115.50557	2.3
119.03506	3.5
121.02995	2.9
123.14616	2.3
133.96526	2.5
135.04533	7.7
149.04559	2.5
149.06078	2.8
149.73969	2.4
161.04579	9.3
177.01926	3.7
177.05597	5.3
179.03336	3.1
179.05458	3.0
186.94496	2.6
201.74841	2.7
254.21843	2.6
298.27432	3.2
368.62488	2.8
449.09076	4.9
449.18222	5.8
451.19922	4.2
463.20462	2.7
493.07727	8.1
493.24783	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	491.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.6
61.98831	100.0
71.52929	0.8
73.90969	0.6
81.77628	0.6
85.38985	0.5
85.84200	0.6
94.82992	0.6
97.02999	0.6
103.07023	0.6
125.06153	0.7
133.33214	0.6
156.98473	0.8
167.14384	1.5
247.20752	1.8
255.23311	0.6
398.73611	0.7
420.55298	0.7
447.30670	1.3
447.35687	1.2
491.30231	9.6
491.34653	6.2
492.34500	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.2
58.00587	0.2
59.01379	4.5
61.98830	0.2
70.93278	0.4
71.01008	0.3
71.01385	4.6
72.99312	0.4
73.02942	1.0
75.00889	0.2
83.01395	0.5
85.02942	1.1
87.00871	0.6
89.02446	3.4
95.01404	0.4
97.02956	0.2
99.00873	0.3
101.02445	4.1
113.02448	1.8
118.96881	0.2
119.03503	1.1
125.02444	0.2
128.60165	0.1
133.05051	0.4
143.03496	0.3
152.99602	0.2
161.04575	1.5
171.00626	0.2
179.05588	0.5
235.08217	1.5
237.22325	0.3
253.09286	13.5
254.09616	0.5
255.23286	100.0
256.23645	6.2
491.32706	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53417	0.1
55.01868	0.2
57.03458	0.2
58.00593	0.1
59.01376	3.9
61.74030	0.1
61.74362	0.1
69.03446	0.2
71.01381	3.7
72.99319	0.4
73.02950	0.9
81.57558	0.1
83.01392	0.4
85.02951	0.7
85.25762	0.1
86.30898	0.1
87.00883	0.5
89.02438	2.8
89.92744	0.1
91.04060	0.2
95.01401	0.3
97.02981	0.2
98.19860	0.3
99.00939	0.2
101.02446	3.9
102.65796	0.1
103.03975	0.2
113.02457	1.7
117.03494	0.2
119.03501	1.0
122.30963	0.1
131.03455	0.2
133.05046	0.6
143.03465	0.3
145.02962	1.2
153.09349	0.1
157.05048	0.2
161.04518	1.4
171.10199	0.2
179.05608	0.5
229.36403	0.2
235.08244	1.4
237.22202	0.1
253.09277	12.2
254.09653	0.5
255.23274	100.0
256.23630	6.0
342.98398	0.1
373.29892	0.2
399.25281	0.2
417.26459	0.2
429.33615	0.5
447.34454	0.2
491.34128	3.0
492.34061	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21165	0.4
59.01368	2.2
69.18540	0.4
71.00475	0.9
71.01411	0.9
75.83186	0.4
76.52585	0.4
78.95927	0.6
85.02943	0.5
89.02460	0.8
91.04018	0.8
101.02469	0.6
103.22911	0.5
117.03468	19.9
119.05022	10.5
119.05818	0.7
121.02957	2.5
123.04562	0.5
133.02943	0.6
134.03685	0.4
139.11385	0.5
145.02951	100.0
146.03276	3.2
152.99500	0.5
163.04008	5.9
184.48772	0.5
198.93108	0.5
238.81499	0.5
253.09198	2.2
255.23288	21.0
256.23618	1.0
271.20004	0.6
271.22766	7.3
272.22876	0.4
331.23224	0.5
331.26443	5.8
355.26190	1.4
399.25369	24.4
400.25867	3.1
400.64844	0.5
417.26425	21.3
418.26587	1.8
429.41745	0.5
491.29849	38.6
492.30151	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	491.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76321	0.4
58.98069	0.5
59.01384	1.6
71.01407	0.6
89.02438	0.5
93.03440	0.7
98.20663	1.1
117.03507	0.9
119.05029	100.0
120.05362	2.5
145.02953	2.0
163.04008	90.5
164.04323	2.4
253.09212	1.8
255.23276	16.0
256.23666	0.9
399.25531	0.8
491.29855	7.2
492.30389	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.0
65.17625	0.3
69.17750	3.5
71.01389	0.5
78.95918	0.7
85.34891	0.3
89.02464	0.6
91.04016	1.3
96.97549	0.3
97.80478	0.3
117.03468	20.0
118.03734	0.7
119.05027	10.1
121.02975	2.6
123.04520	0.8
132.05780	0.3
133.02942	0.9
134.03697	0.6
145.02956	100.0
146.03313	3.5
151.63222	0.3
152.99579	0.7
162.03339	0.4
163.04012	5.6
225.22261	0.5
255.23216	1.2
271.22791	8.9
272.23029	0.5
331.26407	7.0
332.26599	0.4
334.74200	0.4
354.97040	0.3
355.26205	1.3
399.25394	28.4
400.25656	2.8
417.26459	21.1
418.26608	2.4
447.34909	0.5
491.30023	44.2
492.30264	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2858
Annotation	Bu 2867TF
Peak:m/z	Relative Intensity
57.03434	0.9
59.01382	13.7
61.98822	0.8
71.00127	1.3
71.01385	7.5
72.99278	0.6
73.02937	2.2
83.01400	1.2
84.86797	0.6
85.02938	2.0
87.00836	0.8
89.02461	2.8
93.03457	1.2
95.01397	0.6
101.02439	5.3
113.02454	2.8
113.09756	0.8
115.92058	0.9
116.92879	3.2
118.98050	1.4
125.02426	0.6
125.09723	2.2
127.11282	0.6
135.04520	0.9
137.02298	0.6
148.11986	0.6
171.10304	3.9
172.34396	0.5
242.13876	0.7
287.22330	1.5
306.73343	0.5
311.22354	2.6
329.23285	12.8
330.23483	0.9
371.24377	1.3
431.26538	1.8
449.27676	1.7
451.20053	0.7
473.27777	1.7
487.99051	0.5
491.28586	100.0
492.28937	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	491.286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.9
57.03426	0.6
58.00572	0.3
59.01382	22.2
69.03443	0.7
69.23048	0.4
71.01380	9.9
71.52433	0.4
72.99306	1.2
73.02949	3.6
79.49008	0.5
83.01385	2.4
85.02950	4.2
86.00087	0.5
87.00864	3.2
89.02429	1.2
93.03455	0.8
95.01402	0.7
95.58671	0.3
97.02984	0.5
99.00876	1.1
101.02452	5.3
111.00867	0.7
112.01640	0.4
113.02451	2.7
113.09728	0.7
116.92873	1.5
124.01662	0.9
125.02446	1.6
127.11281	0.8
143.10774	0.5
165.65529	0.4
221.93642	0.4
241.21683	0.5
269.21210	2.6
271.22754	0.4
278.46011	0.4
285.20773	0.4
287.22272	29.2
288.22678	1.8
299.22208	0.6
301.23813	0.8
329.23294	1.2
413.26016	0.4
431.26505	19.7
432.26862	1.5
449.27551	39.1
450.27905	3.5
473.27969	0.6
491.28604	100.0
492.28955	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	489.3584
Annotation	Alisol A
Peak:m/z	Relative Intensity
56.69690	1.2
57.03447	2.5
59.01379	13.3
63.15184	1.1
70.37697	1.3
70.38047	3.9
71.01386	8.3
75.61256	1.2
94.92748	1.2
97.48439	1.1
119.66433	1.1
137.09724	2.0
153.09233	1.4
155.10747	6.1
170.32130	1.4
200.86781	1.3
245.19194	4.3
261.22318	1.8
273.18719	3.7
327.26895	1.4
368.52502	1.3
427.36438	1.8
429.33746	3.3
443.35498	12.8
445.37051	7.2
446.37271	1.6
447.34793	1.8
453.34064	2.1
471.28876	1.1
471.34808	73.0
472.35272	8.7
489.36072	100.0
490.36450	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	491.25
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50166	0.7
53.31893	0.7
57.03455	1.3
59.01381	100.0
60.01724	0.9
61.98837	1.2
69.24573	4.3
69.24975	1.9
71.01382	13.1
73.02946	3.6
83.01378	1.3
85.02975	3.5
89.02441	3.8
95.01411	0.8
99.00884	1.6
101.02444	7.1
108.07977	0.8
113.02457	5.5
116.92902	1.5
119.03536	2.0
121.02979	1.7
135.04582	2.1
143.03511	0.8
144.59561	0.7
161.04549	4.4
179.03500	1.1
179.05746	0.8
183.01306	1.6
269.08237	4.5
287.18649	0.8
311.09341	1.8
329.10303	10.8
329.14130	1.2
371.20596	4.6
386.20624	0.8
389.21786	14.4
390.22220	1.1
431.22812	9.2
449.23993	0.9
490.30548	1.1
491.13184	1.1
491.19833	3.3
491.30676	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3585
Annotation	Lycernuic acid E
Peak:m/z	Relative Intensity
51.50185	0.6
59.01377	14.3
60.99323	0.6
69.03455	1.6
71.01386	1.0
95.05031	4.3
98.20662	1.7
137.09731	9.6
137.10712	1.1
139.11298	44.3
140.11569	0.8
189.52138	0.6
231.17473	1.7
237.14854	0.8
239.16490	4.6
245.19099	2.5
273.21951	1.0
287.23795	1.2
291.65714	0.6
369.27853	0.7
385.31165	2.3
403.47409	0.8
409.34518	3.2
427.35797	54.1
428.36316	5.8
429.30054	7.7
445.37143	3.1
455.08911	0.7
459.34760	1.7
471.34702	2.6
489.36398	100.0
490.36713	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	489.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75512	0.8
59.01380	100.0
60.01685	1.0
71.01382	8.6
71.51534	1.0
71.51925	1.3
73.02944	2.1
75.00890	0.8
81.76327	0.8
83.01395	1.0
85.02948	1.8
87.00865	1.2
101.02437	2.9
113.02446	2.7
115.00344	1.7
118.98078	0.9
120.93178	0.8
121.02914	1.1
133.01421	1.7
133.02946	1.0
134.03743	2.2
135.02988	1.3
135.04521	10.5
144.08154	9.0
152.22173	0.9
159.04460	1.1
171.09277	96.5
172.09587	3.8
177.01933	1.2
178.02658	1.4
179.03479	2.0
183.01198	3.4
195.10088	1.3
197.02762	1.5
197.07195	26.7
199.03990	1.4
211.08771	1.7
215.08189	2.7
225.10309	3.2
229.09785	6.7
239.11957	1.7
241.06058	2.8
241.13463	20.9
242.13783	1.7
255.07722	7.5
267.11249	2.2
269.13184	1.0
283.07132	1.7
285.12433	97.5
286.12762	6.4
299.13965	6.7
309.15292	1.8
311.13034	1.3
325.15601	1.6
327.13434	16.8
327.16855	1.3
329.13831	2.2
429.16434	1.7
429.25104	1.9
447.25903	2.9
489.21381	17.2
489.27225	9.9
489.34418	2.0
490.21570	2.2
490.27692	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15821	0.5
52.89321	0.4
54.38278	0.4
56.08081	0.4
57.70810	0.4
58.00580	0.5
59.01379	100.0
60.01701	1.1
71.01383	9.8
72.99353	0.6
73.02956	0.5
73.57607	0.4
85.02971	1.6
87.00893	1.2
87.25696	0.4
89.02445	16.3
95.01373	0.5
101.02436	4.6
107.60191	0.4
113.02449	4.1
119.03499	6.1
121.03003	0.8
131.03500	1.0
133.01465	1.0
133.02992	0.7
135.04539	0.8
140.52377	0.4
143.03520	1.3
149.02444	3.0
149.04489	0.4
155.63536	0.4
161.04599	1.4
179.05606	5.5
223.00188	0.4
241.36261	0.4
285.08133	0.5
300.32938	0.4
410.86282	0.5
464.08493	0.4
474.17053	0.5
489.20694	1.9
489.27203	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30623	0.4
59.01379	100.0
60.01716	0.6
69.49079	2.4
69.49483	0.6
71.01389	1.3
73.02979	0.4
85.02969	0.5
101.02472	0.6
108.15953	0.4
109.04281	0.4
113.02486	0.6
131.00682	0.4
145.02388	0.5
153.86630	0.4
387.20377	1.4
429.21741	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30680	0.6
55.01866	1.8
55.55410	0.5
57.03444	1.8
57.35623	0.5
58.00589	0.6
59.01380	50.5
59.59390	0.5
60.01727	0.6
66.69420	0.6
69.03433	0.9
69.60493	3.4
71.01384	15.5
72.99317	1.0
73.02954	4.3
75.00872	0.6
77.57257	0.5
81.03465	0.6
83.01381	3.5
83.91347	0.5
85.02953	5.8
87.00859	3.1
89.02459	1.3
95.01389	0.9
97.02977	0.9
98.20588	1.2
99.00885	1.5
101.02438	7.0
111.00928	0.7
112.01691	0.8
113.02434	3.6
124.01678	1.3
125.02441	2.0
125.09711	1.3
131.57260	0.5
135.04515	1.3
141.12860	1.4
153.60999	0.5
183.01176	3.8
212.42995	0.6
241.21770	0.7
267.19635	1.3
280.25955	0.6
285.20703	36.1
286.21127	2.2
297.20673	0.7
299.22253	0.9
309.15262	0.9
327.16586	0.9
327.21863	1.4
429.24896	19.9
430.25211	2.2
447.25970	42.9
448.26193	3.3
471.25995	0.9
489.21332	8.6
489.27155	100.0
490.21454	0.9
490.27499	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20229	0.4
52.89280	0.5
59.01380	100.0
60.01709	0.9
70.66630	0.5
70.66962	0.9
71.01383	0.8
75.27647	0.4
76.99274	0.4
83.01395	0.4
89.02448	0.6
91.94550	0.4
101.02477	1.1
109.02980	0.5
113.02490	0.8
122.48662	0.4
133.01468	0.6
135.04504	0.4
179.03552	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60963	1.9
59.01381	30.1
60.99306	4.4
61.98817	4.9
69.16035	24.6
71.01378	5.4
78.95919	15.6
87.00878	2.2
88.00410	8.9
88.98820	21.7
89.02446	100.0
101.02443	3.3
115.00420	2.9
148.63901	2.2
148.90973	2.5
152.99562	24.9
171.00716	2.2
231.10269	2.4
256.43115	2.3
262.41049	2.2
359.15039	2.3
436.85599	2.3
489.13440	3.1
489.21939	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01717	0.5
69.27772	1.1
69.28188	2.2
71.01392	0.7
73.02975	0.6
96.79149	0.4
101.02488	0.4
116.92893	0.5
135.04558	1.1
159.04510	0.3
183.01195	2.5
309.15347	0.8
327.16632	0.6
489.21597	7.4
490.22141	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01707	0.9
61.98832	5.6
70.63034	1.3
71.01376	4.3
73.02960	1.1
83.01390	0.6
85.02969	1.5
87.00890	1.0
89.02445	0.5
101.02438	2.4
109.02982	0.6
111.82909	0.4
113.02458	2.2
114.93465	0.4
124.85987	0.5
135.04565	1.1
161.04564	2.7
183.33081	0.4
229.08714	0.5
285.20728	0.9
346.29086	0.5
363.96777	0.5
379.46997	0.6
429.25259	1.2
447.26401	1.7
489.21445	2.0
489.27649	4.5
489.36163	19.9
490.03244	0.5
490.36487	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01712	1.0
61.98834	7.9
69.33823	2.7
71.01378	4.8
73.02947	1.6
83.01417	0.9
85.02962	1.7
87.00896	0.7
89.02458	0.6
90.75992	0.3
95.01353	0.4
99.00920	0.9
101.02463	3.0
113.02464	1.5
133.01418	0.5
135.04570	0.9
159.04482	0.4
161.04547	2.9
183.01199	0.8
215.07220	0.9
229.08740	0.8
249.57600	0.4
285.20728	2.0
429.24976	1.0
447.25922	2.7
460.41922	0.3
489.21381	1.4
489.27374	5.8
489.36047	23.1
490.28104	0.5
490.36475	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1038
Annotation	Kaempferol 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
59.01378	5.6
59.22106	0.3
60.04670	0.2
61.04693	0.2
63.02398	0.4
65.00315	0.6
70.32609	0.7
73.02971	0.3
83.01431	0.4
85.02972	0.4
89.02444	0.4
93.03442	1.5
96.96002	0.8
98.19990	0.3
101.02422	0.5
107.01380	2.3
109.02937	0.4
113.02444	0.8
117.03484	0.4
123.19653	0.3
132.02161	1.6
133.01419	0.7
135.00877	1.7
135.04555	0.6
137.02423	0.4
143.05031	0.6
145.06676	0.3
151.00331	1.9
153.01895	0.3
157.06587	0.8
159.04483	1.3
161.02437	0.3
163.00385	1.9
164.01094	0.5
165.01978	0.5
167.05000	0.6
169.06604	0.6
171.04561	0.5
172.05293	0.3
179.03584	0.5
183.04503	0.8
184.05373	0.5
185.02515	0.7
185.06075	1.5
187.03996	2.0
189.05595	0.8
195.04483	0.8
197.06021	0.8
199.03966	0.8
200.04832	0.4
206.93283	0.3
211.04012	3.1
212.04533	0.3
213.05630	1.5
215.03630	0.4
226.02698	0.3
227.03497	31.0
228.03909	2.0
229.05051	9.0
230.05521	0.5
239.03491	2.0
240.04134	0.7
241.05072	1.0
243.03081	0.4
255.02982	64.4
256.03580	5.3
257.04535	5.6
267.02924	1.0
268.03613	0.4
283.02356	0.6
284.03250	81.1
285.04013	100.0
286.04379	5.1
314.10361	0.7
315.10596	1.0
327.05042	0.6
403.23163	0.3
447.09018	0.5
489.10367	38.6
489.23294	3.4
490.10809	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	18.2
71.01376	15.7
72.70866	3.1
75.00893	3.4
89.02435	7.8
89.03910	4.3
101.02448	5.7
105.03429	4.8
105.80202	3.6
108.36010	3.2
108.36811	3.5
109.02996	4.1
110.45219	3.0
113.02411	4.1
114.11292	3.5
115.00366	13.9
133.01418	17.0
133.02966	12.3
134.03709	11.9
135.03001	18.3
135.04501	12.2
147.04533	5.0
147.19560	3.4
149.02446	4.2
149.06052	14.9
165.05533	3.2
173.59532	3.4
177.01926	100.0
179.03474	5.2
193.05103	16.4
195.06540	4.7
211.04170	4.1
267.06390	3.9
270.08847	5.9
285.07779	3.9
285.11230	17.0
329.10254	23.6
373.09268	12.2
445.28781	3.2
488.34641	9.2
489.16678	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	489.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	32.2
61.98823	1.9
69.90337	1.8
69.90756	4.1
71.01382	5.4
73.02938	1.8
85.02950	1.5
89.02433	1.3
98.20526	1.5
101.02444	3.4
107.05019	1.6
108.02167	3.1
108.12031	1.2
109.02947	34.2
113.02420	2.6
115.00389	1.5
115.05530	1.7
117.03461	2.6
119.05004	1.5
121.02938	1.9
130.04227	1.9
131.05066	3.4
132.02180	1.6
133.01404	2.1
133.02940	6.0
134.03748	2.8
135.00830	1.4
135.04520	44.5
137.02467	2.1
143.05040	11.0
145.02960	4.1
145.05049	1.8
146.03729	1.9
147.04556	1.8
154.04260	1.4
155.05078	1.5
158.03745	4.0
159.04517	47.7
160.04794	1.7
161.02441	12.5
161.06096	1.7
163.03951	1.8
167.05058	2.5
169.06601	1.7
170.03720	2.8
171.04523	26.7
173.02408	3.1
173.06061	3.2
174.03206	4.0
175.03986	5.3
176.01079	2.8
177.05519	1.4
181.02925	2.8
182.03677	3.7
183.04495	4.0
185.02380	1.4
185.06070	10.0
187.03978	3.6
189.05511	3.5
193.06552	1.4
195.04472	6.5
196.05322	1.7
197.02350	1.4
197.06107	7.0
198.03212	18.8
199.04002	65.4
200.04489	3.9
201.01907	1.9
201.05583	2.2
203.03482	10.8
209.06107	2.7
211.03949	6.5
211.07574	1.3
212.04747	4.7
213.02036	1.3
213.05556	14.3
214.02638	3.8
215.03516	3.2
216.04271	2.3
217.04916	8.2
219.04448	1.4
220.05264	2.0
221.06085	3.6
223.03938	3.7
224.04851	4.4
225.01907	1.4
225.05670	2.9
226.02701	4.3
227.03427	2.5
229.05048	1.3
235.07635	1.8
237.05498	2.8
239.03502	5.1
239.07146	1.6
240.04268	30.3
241.05051	100.0
242.05530	6.0
242.07529	1.5
243.03023	9.6
245.04430	7.1
247.07594	1.8
249.05527	4.5
253.05020	3.2
255.06551	2.4
257.04453	1.6
261.05487	2.9
263.07172	4.6
264.04398	2.1
264.07794	1.4
265.04898	5.5
267.02997	6.8
267.06445	2.3
268.03433	1.7
271.07639	2.2
275.07004	1.3
277.05048	2.0
277.37738	1.3
278.05688	1.7
279.06650	4.9
280.03732	1.8
280.07391	1.2
281.04575	6.8
283.06113	62.2
284.03564	1.4
284.06433	3.5
285.04019	15.5
285.17001	3.3
287.07068	2.2
289.05127	1.5
289.08554	1.1
290.05948	2.0
291.06647	10.9
292.04013	1.4
292.07349	2.3
293.04630	2.8
295.46640	1.3
299.07101	2.2
307.06061	3.9
308.06851	10.4
309.04037	36.8
309.07401	1.4
310.04361	2.2
313.08401	1.4
315.06625	2.4
316.07404	2.9
317.04630	2.6
317.08206	5.4
323.05582	20.5
331.09711	3.2
335.05594	45.0
336.06091	5.6
341.08353	2.6
357.07751	2.6
358.08356	1.6
359.09305	8.3
375.09067	2.2
383.09262	1.8
401.05899	1.7
401.10297	4.2
402.07220	2.8
403.08194	34.1
403.13425	1.7
403.21667	2.8
404.08511	2.2
417.09854	1.2
427.08282	1.6
445.09238	60.0
446.09674	8.4
488.34424	1.5
489.27103	5.4
490.25128	2.9
500.34180	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33900	1.1
59.01379	27.6
69.08473	1.5
71.01382	2.9
71.52261	1.9
73.02952	1.9
81.11980	1.4
108.02164	2.3
109.02961	29.3
115.00405	2.1
115.05534	2.2
117.03455	1.5
121.02978	1.6
130.04214	1.4
131.05048	2.5
132.02203	1.7
133.01479	1.4
133.02989	6.9
134.03691	1.5
135.04524	39.1
137.02457	2.4
143.05040	7.1
145.02954	4.1
146.03722	2.1
147.04478	2.1
149.02419	1.5
153.03464	2.5
155.04979	2.0
158.03700	2.9
159.04521	42.8
161.02493	10.2
161.06081	1.4
163.04021	2.0
171.04492	22.4
172.05255	1.4
173.02425	2.1
173.06082	2.8
174.03194	4.1
174.04710	1.3
175.04034	6.2
176.01115	3.3
181.02966	2.9
182.03729	4.2
183.04491	4.7
185.06104	10.3
187.03996	3.8
189.05519	3.4
192.75317	1.3
195.04471	4.4
196.05228	1.7
197.02472	1.9
197.06038	7.4
198.03194	17.4
199.04007	55.5
200.04373	2.7
201.01875	2.2
201.05576	2.2
203.03487	7.0
208.05199	1.9
209.06117	3.8
211.03967	4.1
212.04742	4.0
213.05557	14.1
214.02628	1.8
215.03430	2.1
217.05009	6.8
220.05316	1.6
221.06061	3.0
223.03929	3.5
223.07578	2.2
224.04689	3.0
225.05493	2.3
225.81335	1.4
226.02687	5.8
227.03461	4.6
235.07695	2.5
236.77533	1.3
237.05511	4.5
239.03481	4.3
240.04254	27.6
241.05048	95.0
242.05360	3.3
243.02972	7.9
245.04417	7.2
249.05594	4.4
251.03488	1.5
251.07130	2.1
253.05042	3.1
255.06601	2.7
257.04288	1.9
261.05573	2.2
262.06458	2.1
263.07172	3.9
265.04974	6.8
267.02969	6.2
267.06412	2.8
268.03677	1.6
277.05304	1.4
279.06619	3.8
281.04541	5.5
283.06110	66.8
284.06393	4.1
285.04041	15.0
285.17023	1.8
287.06967	1.5
288.08026	1.6
289.08755	2.6
290.05634	1.8
291.06638	9.1
292.07178	2.4
293.04538	3.0
298.06219	1.4
301.08542	1.6
307.06146	4.7
308.06906	9.1
309.04056	37.2
309.07300	2.5
310.04504	1.5
315.06641	2.2
316.07248	2.3
317.08197	4.9
323.05582	15.7
335.05615	29.1
335.09171	1.1
336.06177	5.1
341.08026	1.8
359.09210	5.5
401.06079	2.2
401.10580	3.7
402.07471	2.3
403.03156	2.5
403.08218	32.9
404.08624	2.5
429.25027	2.7
445.09262	100.0
446.09802	7.7
447.26141	2.2
489.08258	1.9
489.27640	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	488.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53762	1.3
59.01380	3.6
69.04305	1.2
71.01377	4.0
71.17418	1.7
81.11496	1.3
82.29453	1.5
86.32362	1.5
89.02404	2.4
90.99213	1.5
92.71313	1.5
101.02444	3.1
102.05611	41.1
116.03517	2.4
116.57362	1.6
117.10849	1.8
127.05131	2.1
128.03545	30.7
139.12030	1.4
145.01382	3.7
145.06155	5.7
146.04594	100.0
146.06435	4.0
148.62779	1.6
179.05554	2.9
191.05635	13.1
341.10828	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	19.2
61.06543	0.8
69.23689	6.0
69.24094	1.5
69.93895	0.8
71.01376	3.3
73.02940	3.4
83.01385	1.9
85.02946	1.2
89.02445	1.4
101.02436	1.5
108.02168	2.6
109.02950	29.8
115.00352	0.9
115.05542	1.2
117.03482	1.5
121.02919	2.5
130.04228	1.8
131.05037	1.9
132.02200	1.0
133.02959	6.0
134.03749	2.1
135.00885	2.0
135.04526	41.4
136.04921	1.2
137.02448	2.0
143.05034	7.4
145.02919	4.7
146.03714	1.7
147.04483	2.7
151.30476	0.9
153.03465	1.8
155.05052	1.6
158.03783	1.3
159.04510	42.3
160.04852	1.6
161.02431	10.8
161.06113	1.7
167.04979	2.1
169.03133	0.9
169.06551	1.3
170.03743	2.0
171.04509	24.2
172.05226	1.0
173.02440	2.4
173.06039	3.0
174.03163	2.8
175.03970	5.1
176.01147	3.3
177.01944	2.0
177.05560	2.6
180.05742	1.4
181.02879	2.5
182.03702	3.3
183.04527	3.1
185.06084	9.2
187.03978	2.7
187.07637	1.0
189.05518	2.6
195.04466	3.9
196.05249	3.2
197.02435	2.2
197.04536	1.0
197.06093	6.7
198.03214	17.4
199.03993	59.4
200.04332	4.0
201.01961	2.2
201.05540	2.2
203.03506	8.2
204.03937	1.0
207.04524	1.3
209.06087	4.1
211.03989	5.6
211.07491	1.1
211.13344	6.7
212.04669	4.6
213.05536	14.2
214.02579	1.9
215.03482	2.8
217.04990	8.6
221.06036	2.6
223.03954	2.6
223.07564	1.6
223.16948	1.3
224.04736	2.9
225.05559	2.4
226.02696	3.3
227.03525	4.4
228.04114	1.2
229.05028	1.1
233.05972	1.3
235.07617	2.5
236.04750	1.4
237.05582	5.8
238.02701	1.0
239.03461	5.2
239.07098	1.7
240.04257	25.2
241.05040	100.0
242.05399	5.5
243.02960	8.8
245.04372	6.5
247.07648	1.6
248.04689	1.3
249.05527	3.1
250.06300	1.1
251.07077	2.0
253.05017	3.1
254.05939	1.5
255.06490	2.1
257.04559	1.8
259.07483	1.2
261.05603	2.3
263.07162	5.2
264.04282	1.6
265.04987	7.3
266.05615	2.0
267.02982	6.2
267.06583	3.5
270.06863	0.9
273.05637	1.0
275.06924	0.9
277.04968	1.6
279.06519	4.2
280.03851	1.6
281.04535	7.3
283.06091	65.9
284.06311	4.3
285.04022	14.4
285.17017	8.4
287.07172	2.6
288.07849	1.2
290.05756	1.7
291.06589	9.9
292.07254	2.4
293.04504	4.7
295.06073	1.2
299.07220	1.7
307.06094	3.8
308.06866	9.2
309.04062	36.9
309.07422	2.3
310.04501	2.1
312.07834	1.0
315.06671	2.6
316.07361	2.3
317.04633	1.9
317.08191	5.6
323.05579	17.8
329.08200	1.7
331.09875	1.9
335.05597	37.4
336.06259	5.7
341.08099	1.2
343.06219	1.2
351.05069	1.1
357.07617	2.7
358.08496	2.1
359.09177	7.0
375.08588	2.0
385.91513	1.0
401.06027	2.0
401.10321	2.8
402.07333	3.2
403.08160	38.5
404.08478	3.2
427.07983	2.0
429.24722	1.8
438.57819	1.1
445.09244	85.7
446.09567	8.7
447.25827	1.7
489.26730	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	487.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.2
63.17723	0.8
70.92440	1.8
97.53823	0.9
113.06062	1.7
149.09679	1.1
187.11322	2.3
189.12839	4.9
191.14435	3.9
203.14386	1.1
205.15964	13.6
207.17538	2.0
231.13885	1.7
232.14650	5.6
233.15453	5.1
235.13344	7.5
237.18613	1.0
247.13371	1.2
249.14949	35.7
250.15646	12.0
251.16515	21.0
251.18977	1.4
282.14767	7.3
389.46997	1.0
427.32370	1.5
443.35333	12.9
444.35605	1.5
469.33185	3.4
487.34369	100.0
488.34589	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	488.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49753	1.3
59.01382	1.9
64.93413	1.6
69.73744	8.6
71.01376	6.0
73.16310	1.5
74.02485	1.8
86.76540	1.4
89.02464	1.8
102.05613	41.4
115.00378	2.1
128.02718	2.2
128.03555	29.0
133.01424	2.5
138.52769	1.4
145.06166	7.5
146.04596	100.0
146.06494	4.7
147.02992	1.7
147.04825	2.0
149.06081	2.3
172.37280	1.7
174.91521	1.4
191.05603	2.4
211.42542	1.4
245.02328	1.5
285.11362	4.3
329.10236	3.4
334.25290	1.9
341.10742	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	487.3429
Annotation	Cimigenol
Peak:m/z	Relative Intensity
53.07907	0.6
56.13311	0.7
59.98504	1.3
69.93632	1.6
69.94026	1.3
80.96549	0.7
83.05045	0.9
92.02950	0.8
128.81766	0.7
139.11339	0.9
163.11328	1.5
168.50728	0.7
184.13184	0.7
185.41476	0.7
189.12906	2.0
191.14406	2.0
205.15985	7.4
207.17532	2.1
217.15886	1.0
232.14659	5.1
233.15446	5.5
235.13365	11.0
235.16974	1.0
237.18593	1.9
247.13417	1.3
249.14946	16.9
250.15704	18.2
251.16521	18.3
282.14548	3.8
312.16583	0.8
368.74951	0.8
409.31021	1.5
425.34473	3.6
443.35300	17.8
444.35767	2.6
457.33530	0.9
469.33392	1.5
470.33148	0.8
476.56863	1.0
487.34357	100.0
488.34671	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	487.3427
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
94.94560	0.3
100.07799	0.2
110.76546	0.2
119.02779	0.2
141.63829	0.2
144.21555	0.2
162.30396	0.3
187.82355	0.3
273.90076	0.3
314.78897	0.2
330.98660	0.3
484.05466	0.3
487.34256	100.0
488.34616	10.5
488.41766	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3427
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
59.01366	0.3
61.98827	0.3
69.15155	2.6
71.31072	0.2
74.07715	0.2
78.95886	0.3
85.26714	0.2
93.24821	0.3
110.98478	0.5
112.45951	0.3
167.01082	0.4
179.10710	0.3
186.42705	0.2
209.26147	0.3
253.18085	0.3
319.22818	1.0
469.33200	0.3
487.34280	100.0
488.34595	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3427
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
55.98944	0.6
57.01473	0.6
57.03456	0.9
57.63297	0.6
60.06206	0.6
62.42533	0.6
67.24046	0.6
67.75669	0.6
69.18051	1.8
69.18470	4.8
72.99282	0.6
75.46563	0.6
121.96368	0.6
169.11436	0.8
223.17088	1.0
328.83771	0.8
394.90137	0.7
397.34756	24.2
398.34940	2.4
399.36276	13.9
400.36639	1.7
413.44785	0.7
415.35739	9.4
416.36316	0.8
425.34280	2.4
443.35294	40.4
444.35715	5.3
487.34293	100.0
488.34509	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	487.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61749	0.4
56.79408	0.4
59.01377	0.9
61.98818	0.5
69.80733	1.9
71.01396	0.5
71.05026	1.0
74.19207	0.3
78.14465	0.4
78.18557	0.4
78.95908	0.7
82.82575	0.4
84.22633	0.4
90.62080	0.4
98.19910	0.5
99.87511	0.4
109.06657	0.4
144.19766	0.4
204.70459	0.4
277.02991	0.4
359.13882	0.5
407.33157	1.4
423.32721	1.3
425.34314	1.1
427.32309	1.3
443.35184	1.2
469.33194	14.9
470.33463	1.6
487.34293	100.0
488.34662	12.6
513.32227	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04909	0.2
56.66897	0.1
57.53732	0.2
70.57899	0.1
124.95165	0.2
163.70793	0.2
175.56546	0.2
177.86786	0.2
229.36975	0.2
434.25876	0.2
487.34259	100.0
488.34607	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	487.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60913	0.5
59.01381	100.0
69.82050	1.9
69.82453	0.9
71.01383	12.1
71.80884	0.5
72.99289	0.9
73.02960	0.9
78.95918	2.4
82.51566	0.6
83.01436	0.6
85.02932	1.1
86.81947	0.5
87.00872	3.7
88.01228	0.5
89.02445	19.2
95.01403	0.8
96.96972	0.6
101.02441	8.2
101.93440	0.5
113.02459	6.0
115.00385	1.3
119.03506	10.4
131.03462	0.7
133.01445	1.5
135.04543	1.0
135.57080	0.6
143.03506	1.9
149.04596	1.1
149.81424	0.5
152.99590	3.0
159.04498	1.2
161.04605	2.0
172.05333	0.8
173.06096	1.5
174.06885	0.8
177.01877	0.6
179.05600	6.0
181.05083	1.1
181.37308	0.6
186.06935	1.1
187.03976	0.9
187.07611	3.9
189.09300	2.1
201.05667	0.9
201.09209	0.7
202.06441	1.6
214.06381	1.4
215.07198	2.0
229.08713	2.1
231.10149	4.0
274.08478	1.5
275.09323	0.6
283.19128	0.6
303.15982	0.9
360.63690	0.7
371.14865	0.9
427.27014	6.7
428.27466	1.1
467.64117	0.6
471.68005	0.6
478.19412	0.6
487.23947	1.3
487.34628	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	487.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68120	0.4
59.01381	100.0
60.01713	1.2
64.83231	0.4
67.11198	0.4
70.43142	0.4
70.97870	0.9
71.01385	3.4
73.02962	1.7
83.01400	0.6
85.02947	1.1
86.00110	0.5
87.00888	0.7
89.02453	1.0
90.69855	0.5
101.02448	1.9
113.02471	1.5
121.02975	0.6
130.43842	0.5
135.04497	0.9
137.02448	0.8
145.02988	0.4
156.51160	0.4
161.04608	0.6
178.97247	0.4
195.72910	0.4
209.04608	0.5
219.47415	0.5
239.07162	0.5
267.06509	0.5
268.07480	1.0
282.08997	0.8
283.15515	0.6
293.08228	0.6
326.11676	0.4
327.12421	2.3
355.11932	0.7
369.13602	0.7
377.20895	0.6
397.13098	0.8
427.14252	1.2
427.23328	0.5
445.24350	0.5
473.14825	0.5
487.16107	6.0
487.26053	0.8
487.34433	1.2
488.16943	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38057	0.3
59.01374	6.4
71.01383	6.5
71.42818	0.6
73.02949	0.9
73.63091	0.3
78.95897	0.5
83.01389	0.6
83.05018	0.7
85.02952	1.4
89.02445	2.6
95.01394	0.5
98.20533	0.3
101.02440	3.5
113.02444	1.9
115.00373	0.7
119.03502	1.0
125.03561	0.8
152.99519	0.3
155.07002	0.3
161.04527	1.2
177.84236	0.3
179.05493	0.3
183.88322	0.3
185.02184	0.4
214.59189	0.3
233.19119	0.9
235.08183	1.3
251.20146	100.0
252.20488	6.3
253.06644	0.7
253.09277	13.3
254.09593	0.7
283.13327	0.8
309.75443	0.3
319.22778	1.7
431.24384	0.4
469.32846	0.6
487.24344	0.6
487.34616	7.9
488.34583	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	13.5
60.38562	1.2
61.98830	5.7
71.01373	2.7
75.00877	1.5
78.95908	14.9
80.21915	1.2
89.04612	1.2
98.20657	3.3
107.08682	3.5
110.98531	14.3
117.15984	1.2
135.11778	3.6
135.90915	1.3
139.11261	3.9
163.07681	1.2
163.11279	6.3
167.01167	3.7
179.10773	26.3
185.02219	15.0
203.18053	2.8
207.10304	3.1
208.10970	1.5
229.24167	1.6
233.14311	1.6
240.10039	2.3
257.22723	11.4
301.21732	16.5
302.22046	1.5
319.22760	100.0
320.22925	8.7
369.03879	1.5
445.06598	1.4
469.33124	7.3
487.24591	27.2
487.34195	55.3
488.25137	1.7
488.34421	4.5
508.17188	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.4
59.01379	100.0
60.01720	0.6
69.28511	1.2
69.28935	1.8
71.01385	3.4
73.02959	1.5
74.25014	0.3
83.01406	1.1
85.02962	0.9
87.30699	0.4
89.02474	1.5
99.00909	0.3
99.04537	0.5
101.02412	2.1
102.23524	0.4
113.02480	1.2
115.00368	0.4
119.03533	0.5
121.03008	0.5
134.03781	0.4
135.03000	0.4
135.04558	1.0
137.02509	1.1
161.04601	0.6
177.01936	1.0
202.06448	0.4
209.04533	0.5
267.06528	0.6
268.07483	0.8
282.09140	1.2
283.15805	0.9
283.19138	0.4
293.08185	0.7
295.09872	0.6
314.07837	0.7
317.83997	0.4
327.12280	1.9
355.12045	0.7
355.40787	0.4
377.20828	0.7
427.13953	0.8
443.14340	0.4
445.24402	0.6
469.33530	1.1
473.14728	0.5
487.16223	4.7
487.26270	0.6
487.34445	5.4
488.16861	4.0
488.35355	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.0
57.03447	1.0
59.01380	100.0
61.98816	2.9
65.35631	0.7
71.01384	29.1
71.52414	1.1
72.99298	0.7
73.02943	9.4
75.32364	0.7
83.01393	3.0
85.02956	14.0
87.00880	5.5
89.02468	3.8
95.01389	3.5
97.06582	2.4
99.00866	4.5
101.02444	17.8
113.02443	15.2
114.02773	0.8
115.00369	6.9
125.02395	1.1
128.36635	0.8
133.01448	11.5
135.04520	2.3
137.02432	1.1
143.03490	2.1
144.23302	0.8
159.02988	4.1
159.04440	1.2
161.04550	28.2
172.44536	0.9
178.02731	0.9
179.03496	1.0
186.06844	1.6
214.06331	1.6
215.07051	1.5
229.08685	1.5
231.10358	1.1
255.13902	0.9
265.09933	0.8
327.15793	1.5
371.14844	4.0
371.24600	1.0
403.34415	1.0
427.15213	4.4
427.26404	0.9
469.32513	0.9
487.23654	1.6
487.34412	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.088
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58447	0.9
56.94962	1.0
57.03447	1.9
59.01381	34.4
61.98833	1.7
69.84486	2.6
69.84884	1.6
71.01384	23.1
72.99277	1.7
73.02953	3.1
78.95903	2.2
81.15879	0.8
83.01343	1.1
83.05002	1.0
85.02937	3.3
85.72256	1.1
89.02438	3.7
91.01900	2.4
96.96021	1.6
101.02435	3.5
105.03451	1.6
108.02176	2.0
109.02953	28.8
113.02449	2.7
115.00374	38.8
119.03507	1.5
119.05029	4.4
121.02966	3.7
123.04591	1.1
129.03470	7.1
130.04028	0.9
133.01433	32.6
133.02879	6.5
134.03711	3.3
135.02895	1.2
135.04527	10.0
137.02429	11.6
143.69270	1.0
145.02943	11.3
146.03745	37.1
147.04526	100.0
148.04869	3.4
149.02448	1.0
149.06081	2.8
152.99605	2.8
158.03743	13.5
159.04486	14.3
161.02480	2.3
161.04691	1.4
161.06076	3.2
163.11275	1.9
173.06084	13.1
177.01920	4.8
178.02696	2.6
179.03510	5.0
187.04015	2.5
187.07620	1.6
189.99931	1.2
191.05750	1.5
202.06354	7.1
203.07077	1.0
204.62070	1.1
209.04430	1.6
209.11856	7.0
211.06007	2.1
213.09206	1.9
215.25858	1.1
225.05428	1.1
227.12999	1.5
229.01488	2.3
231.10219	6.1
237.05574	1.6
239.07027	1.5
240.04196	1.1
249.05486	1.2
265.05023	2.8
265.14368	1.3
266.05826	14.4
267.06592	20.1
268.07376	14.9
275.09229	4.1
277.04871	1.0
281.08157	6.5
283.06613	2.3
283.09760	34.2
283.14615	2.5
284.10199	2.6
293.04559	2.1
294.05237	2.8
309.07690	2.8
318.63535	1.1
327.04837	2.3
327.08740	35.6
327.13287	4.7
328.09052	3.0
353.06631	17.6
354.06937	1.5
371.07928	1.9
371.12268	6.6
487.19675	4.2
487.34644	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	486.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43122	0.4
66.00848	0.3
70.07800	1.2
70.09141	0.4
78.95914	0.7
80.96510	1.3
88.04041	55.7
96.96003	0.7
107.05021	0.7
135.04489	1.4
147.08159	2.1
147.47702	0.4
149.09727	1.4
156.85782	0.4
161.09750	0.7
163.11267	3.4
187.11290	2.2
198.63037	0.4
203.08324	0.4
203.10687	0.5
262.93634	0.5
265.12213	0.6
279.13733	0.6
280.14713	2.0
307.16977	0.8
309.22232	2.4
322.19537	0.8
337.21722	100.0
338.22055	9.7
399.36322	0.6
425.34335	0.5
443.35416	2.5
447.10284	0.4
469.33240	0.7
486.26862	12.7
486.32764	1.1
487.27121	1.4
487.34323	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	487.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41008	1.7
59.01379	26.6
65.00317	3.2
69.03418	2.1
69.78672	5.7
69.79085	2.8
71.01379	36.3
72.99291	2.4
73.02956	3.5
73.51310	1.8
77.59081	1.5
82.89523	1.5
83.90559	1.6
85.02935	4.3
86.14533	1.7
89.02442	5.8
91.01902	5.6
98.19909	3.1
101.02422	5.4
105.03447	4.0
108.02181	3.8
109.02950	100.0
110.03295	3.6
113.02436	5.3
115.00371	42.2
118.98049	2.1
119.03491	3.7
121.02950	7.8
122.03773	1.9
123.00896	2.1
133.01442	17.5
133.02957	5.0
134.03719	2.5
135.04543	9.8
136.04886	2.0
137.02461	17.5
145.02951	3.1
146.03737	34.0
147.04507	3.1
149.02477	2.7
149.06082	2.8
158.03729	51.6
159.04510	45.4
161.02437	3.6
161.04492	2.3
161.06084	4.9
165.05530	3.2
173.04626	3.3
173.06067	48.0
175.07632	3.8
177.01945	7.2
178.02657	2.2
179.03508	4.3
187.03987	4.7
187.07588	4.7
188.07892	2.5
193.08737	2.4
201.05489	2.9
202.06328	10.7
203.07184	2.4
209.04552	7.1
211.05998	2.4
213.09219	2.7
216.07767	2.3
223.58559	1.8
229.08701	2.3
231.10278	13.7
239.07094	2.1
266.05875	22.5
267.06595	71.7
268.07312	27.8
275.09186	7.7
281.08264	9.2
283.09744	50.4
284.10168	4.0
294.05338	2.9
295.06204	2.1
327.04846	3.6
327.08710	62.6
328.09122	4.0
329.98883	1.7
353.06677	6.9
371.07596	1.9
381.15918	2.3
437.59912	2.0
487.08517	2.4
487.34592	2.6
488.18945	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	485.327
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21729	1.0
62.40519	1.0
63.52042	0.9
63.70328	1.0
71.01381	1.8
71.51852	1.1
71.52254	1.1
77.63806	0.9
79.95661	1.0
96.43661	1.0
96.95965	1.2
106.88168	1.1
120.00012	0.9
135.04512	3.9
152.71500	1.1
167.97482	1.0
171.20181	1.0
273.08167	1.0
283.04883	1.1
297.22214	1.7
379.30411	1.1
381.31616	100.0
382.32016	13.1
397.34726	31.4
398.34952	3.9
441.33667	22.4
442.34055	4.3
483.12775	1.1
485.32739	73.6
486.33038	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	485.3271
Annotation	Acerinol
Peak:m/z	Relative Intensity
53.31184	0.2
59.01380	1.2
59.80135	0.2
61.98827	0.3
70.83076	0.6
73.71364	0.2
81.52374	0.2
106.49557	0.2
110.14587	0.3
157.15263	0.2
180.52887	0.2
191.57227	0.2
389.79910	0.2
485.32715	100.0
486.33066	12.6
497.75381	0.3
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	Wilforic acid E
Peak:m/z	Relative Intensity
50.69856	0.8
78.95908	1.5
80.76740	0.9
85.68902	0.8
98.19839	1.8
139.11348	1.1
144.05829	6.2
146.07458	1.8
152.99574	1.6
161.09734	2.4
163.11201	1.2
182.27292	0.9
187.11301	10.8
189.05681	0.9
189.12860	14.6
189.33084	0.8
203.10817	0.8
203.14447	3.5
205.08691	7.7
205.15964	87.0
206.16277	4.7
219.13840	1.6
221.15448	1.2
235.17032	17.2
236.17366	1.1
237.18556	5.0
247.13370	3.4
248.14099	5.5
249.14944	100.0
250.15236	4.5
255.23351	5.8
256.23621	4.8
257.23981	6.5
397.34769	1.1
423.32663	4.2
441.33749	50.3
442.34070	6.4
485.32870	52.6
486.33243	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	485.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.3
57.03436	0.3
58.00594	0.2
59.01379	7.9
62.05538	0.1
65.35081	0.1
69.03447	0.2
70.56468	0.3
71.01380	5.2
72.99312	0.3
73.02945	1.1
78.95905	0.4
83.01394	0.7
83.05018	0.5
85.02965	1.2
87.00862	0.8
89.02445	4.3
91.03991	0.3
91.86958	0.1
95.01383	0.4
97.02984	0.3
97.06579	0.3
98.19976	0.2
99.00880	0.4
101.02443	5.1
108.03893	0.1
110.44299	0.1
110.98542	0.2
113.02445	2.0
113.09722	1.1
117.04453	0.1
119.03504	1.1
125.02448	0.2
131.03476	0.2
133.05060	0.4
139.11308	0.3
143.03481	0.4
146.44846	0.1
157.05029	0.2
161.04559	1.9
162.04880	0.1
175.14871	0.2
177.09056	0.2
177.16479	0.3
179.05603	0.8
205.19684	0.8
205.21283	0.1
231.17540	0.6
235.08218	1.1
235.86438	0.1
247.17064	0.3
249.18581	100.0
250.18903	5.9
253.09277	15.8
254.09663	0.5
266.88132	0.1
273.22275	0.4
317.21210	1.4
318.21527	0.2
485.22775	0.2
485.33527	0.2
514.63824	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	485.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.3
57.03440	0.2
58.00587	0.2
59.01379	7.9
69.03436	0.1
70.75143	0.3
71.01380	4.7
72.01691	0.1
72.99297	0.2
73.02943	1.1
73.95504	0.1
81.03464	0.1
83.01395	0.7
83.05014	0.5
85.02951	1.2
86.30058	0.1
87.00888	0.6
89.02444	3.8
91.03986	0.2
95.01404	0.4
97.02942	0.3
97.06557	0.1
99.00829	0.2
99.04515	0.1
101.02443	4.8
113.02451	2.0
119.03509	1.1
123.08106	0.1
125.02467	0.2
127.11322	0.1
133.05067	0.3
143.03511	0.4
157.05045	0.2
161.04555	1.7
177.16499	0.3
179.05623	0.8
205.19565	0.9
231.17561	0.8
235.08237	1.1
247.16969	0.3
249.18576	100.0
250.18913	5.8
253.09271	14.9
254.09647	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2756
Annotation	10,11-Dihydro-12-hydroxynerolidol 3-O-beta-D-2'-acetylglucoside
Peak:m/z	Relative Intensity
54.19079	0.2
55.01873	0.3
57.03445	0.3
58.00579	0.3
59.01380	100.0
60.01711	0.9
69.19038	2.5
71.01383	5.4
73.02951	1.4
83.01407	1.0
85.02940	1.9
87.00925	0.3
89.02438	4.0
95.01396	0.4
95.98616	0.2
99.00917	0.3
101.02451	4.8
113.02460	3.4
119.02706	0.4
119.03468	1.6
126.27572	0.2
131.03540	0.4
137.02484	0.6
140.84901	0.2
143.03502	0.5
149.04507	0.2
159.03055	0.6
161.04515	1.6
177.01938	0.4
179.03468	0.2
179.05598	0.4
190.52039	0.2
231.10141	0.2
425.25610	0.6
443.26663	0.4
485.31335	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10138	1.2
51.26618	1.1
59.01380	100.0
69.38639	5.4
69.39066	4.7
69.42106	1.2
71.01384	22.2
72.99303	1.6
73.02940	6.7
75.82369	1.1
81.28416	1.2
81.29628	1.2
83.01385	3.8
85.02957	6.4
85.03413	1.1
87.00864	1.6
89.02446	15.0
95.01385	2.5
97.16817	1.3
99.00875	1.7
100.43879	1.1
101.02435	20.3
113.02453	9.3
114.78292	1.3
119.03500	9.2
131.03542	1.4
143.03447	2.6
150.80739	1.2
156.77711	1.3
161.04529	4.9
167.41258	1.2
168.31873	1.2
179.05571	5.8
239.54941	1.3
244.95990	1.4
258.73553	1.4
276.89523	1.2
288.20779	1.6
399.23822	4.3
421.09439	1.4
485.32523	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.7
57.15222	0.7
58.00599	1.0
59.01380	100.0
60.01719	1.1
60.74993	0.6
69.03429	0.6
71.01382	23.7
72.99321	2.3
73.02943	10.3
83.01398	3.8
85.02932	4.2
89.02443	16.2
95.01405	1.9
99.00889	1.1
100.98788	0.6
101.02444	15.0
103.49045	0.6
105.03478	2.4
109.02955	1.0
113.02456	10.1
119.03497	5.2
131.03551	1.4
131.57690	0.6
133.03011	1.9
135.04584	0.9
137.02438	5.3
143.03549	1.5
149.02420	1.2
149.04547	1.3
150.03232	1.6
151.04060	1.8
159.02994	0.5
161.04532	2.9
177.01923	8.9
179.03564	1.8
179.05711	1.1
203.07146	4.0
209.04594	2.6
231.10216	0.7
263.16437	1.2
281.08267	0.8
299.09180	4.0
381.09854	6.8
381.22882	0.6
413.12579	2.1
425.25726	1.6
443.22861	0.9
455.26859	0.8
485.14920	1.5
485.24274	5.2
485.31210	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.4
58.00590	0.6
59.01379	100.0
59.29747	0.2
60.01709	0.8
67.27074	0.2
71.01382	11.7
72.08617	0.2
72.99329	0.8
73.02948	4.8
79.97851	0.2
83.01373	1.5
85.02960	2.4
87.00900	0.5
87.29150	0.2
89.02447	9.8
95.01400	0.9
98.20711	0.4
101.02442	7.1
110.74894	0.2
113.02450	5.9
119.03493	3.3
131.03514	0.5
131.34271	0.2
137.02440	1.3
139.25948	0.2
141.97711	0.2
143.03497	0.5
145.08939	0.2
148.12450	0.2
149.04588	0.4
150.03185	0.2
151.04056	0.2
161.04597	1.0
177.01978	0.9
178.02698	0.3
179.03540	0.6
179.05629	0.6
185.65331	0.3
200.88977	0.2
229.35320	0.2
299.09320	0.5
307.84451	0.2
309.62634	0.2
425.25488	0.3
451.23315	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91875	1.1
55.01864	3.1
57.03440	4.3
58.00589	2.6
59.01379	100.0
60.01714	1.4
61.98816	3.1
69.03432	2.3
71.01381	75.0
71.43414	1.0
72.99310	5.8
73.02949	16.8
81.03456	1.5
83.01374	8.0
83.05019	2.8
85.02956	22.1
87.00896	3.9
89.02440	48.7
93.03465	1.6
95.01394	4.9
96.12806	1.5
97.02956	2.7
97.06599	3.8
98.06838	1.1
99.00891	5.6
101.02442	49.3
101.03111	2.7
105.03466	2.8
107.04987	1.6
109.02954	4.4
111.04508	2.6
113.02449	29.1
115.00354	3.4
119.03504	24.9
119.04904	1.4
121.02978	1.1
125.02389	1.6
125.06094	2.9
127.04037	1.8
130.08752	1.3
131.03468	2.8
133.01459	4.2
133.02960	3.2
133.06616	1.4
135.04501	4.1
137.02428	6.7
141.05550	2.8
143.03534	3.3
149.02473	2.5
152.07124	1.3
159.03012	1.2
161.02550	1.9
161.04564	7.2
163.04051	1.6
165.05653	1.5
176.01184	6.3
177.01929	15.1
178.02495	1.3
179.03445	2.2
179.05655	1.7
189.67439	1.1
193.01425	1.5
207.10089	1.5
209.04573	4.9
213.09225	1.8
229.08856	1.5
231.10185	2.2
237.14973	2.1
239.74878	1.3
243.17538	4.1
261.18536	7.1
263.12866	2.1
281.13889	7.0
299.09268	3.4
303.43073	1.3
305.17575	3.0
311.05838	1.4
325.07101	11.7
337.03476	3.0
343.17654	1.9
356.18393	1.7
369.05887	2.0
381.09753	1.5
388.17422	2.2
397.16495	1.6
409.12784	1.6
423.24020	8.4
441.15677	2.3
449.22049	1.9
467.22742	5.5
469.38348	1.1
485.08258	1.6
485.14761	3.8
485.23929	38.2
485.30429	1.8
486.24472	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	3.7
57.03440	3.6
58.00574	4.1
59.01380	100.0
61.98820	3.1
69.03452	3.4
69.67645	12.8
71.01382	68.2
72.99300	3.0
73.02962	11.3
83.01395	7.4
83.05023	3.3
84.02186	3.0
85.02943	22.1
86.00072	2.6
87.00889	4.4
89.02443	57.4
95.01390	7.3
97.06578	3.3
99.00853	4.8
101.02441	51.8
105.03487	14.2
109.02938	6.0
109.85394	2.3
113.02444	31.3
115.00443	2.1
119.03500	27.8
120.41033	2.1
123.04473	2.3
125.02406	2.1
127.04012	3.1
131.03510	3.1
133.02951	7.6
135.04489	2.7
137.02440	14.9
143.03548	3.9
149.02435	6.0
149.04514	2.2
150.03156	2.4
151.04007	3.0
161.04562	4.3
163.04012	3.1
177.01906	23.1
179.03615	4.5
179.05534	2.9
203.07166	2.6
209.04570	30.2
213.09239	3.7
267.06674	2.3
281.13931	3.1
299.09116	4.5
311.05698	2.7
311.09259	2.3
327.12039	2.4
343.08102	2.1
381.09515	4.6
401.53632	2.3
409.12793	5.3
410.73633	2.1
423.23877	5.6
441.15787	4.4
455.13181	5.1
467.22513	3.4
470.15756	7.4
485.17883	14.3
485.23984	37.0
486.18280	2.8
486.24442	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.8
57.03482	0.7
59.01380	100.0
60.01704	0.6
60.66566	0.4
71.01385	12.5
71.01781	0.7
71.05029	1.7
71.52190	0.5
72.99315	0.6
73.02941	4.0
74.94923	0.4
83.01401	1.8
85.02949	5.1
87.00898	0.7
89.02448	5.6
95.01400	1.1
99.00913	1.7
101.02443	8.0
105.03480	0.7
111.00942	0.6
113.02444	5.8
119.03542	2.3
121.02968	1.7
122.37454	0.5
130.08752	4.2
133.02966	0.6
133.54951	0.5
134.03763	2.4
135.04491	0.9
137.02466	6.0
143.03490	0.9
147.00925	0.5
149.02470	0.5
150.03253	1.4
151.04008	0.6
152.04781	0.5
159.03023	0.8
161.02495	0.9
161.04568	3.6
177.01910	4.9
177.09300	0.7
178.02669	1.4
179.03461	2.8
179.05614	0.9
213.05585	0.6
221.08183	13.6
221.10318	0.7
227.07198	0.5
229.46478	0.4
231.10356	1.5
263.16595	1.1
269.08234	0.5
281.17758	1.1
283.09714	0.6
299.09216	3.9
300.10022	0.8
325.07224	0.9
344.09003	0.8
375.23572	0.5
425.25491	1.1
456.20078	3.1
468.20282	1.2
485.24106	3.5
485.31400	6.4
486.31577	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.5
57.87135	0.9
59.01381	100.0
63.45237	0.9
69.03474	1.2
71.01385	41.3
72.01717	1.1
72.94288	1.1
72.99287	1.6
73.02950	59.6
75.00887	1.1
83.01389	17.3
85.02956	4.4
89.02448	11.7
93.01495	1.0
95.01382	2.2
100.18538	1.2
101.02443	50.4
113.02470	15.4
115.00368	1.0
119.03500	3.8
125.02482	1.8
131.03500	4.7
143.03494	2.1
149.04509	1.7
158.65726	1.1
161.04556	7.1
201.05498	1.0
219.17461	1.5
221.06696	1.6
227.12837	1.2
263.16541	1.9
287.96570	1.1
344.49146	1.1
369.13327	2.5
485.32657	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	485.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01692	3.1
61.98829	43.7
70.27312	2.5
70.27659	7.3
71.01374	30.8
73.02953	8.7
77.03947	2.5
83.01372	3.4
85.02957	8.1
87.00890	2.4
89.02436	19.1
90.15855	1.8
95.01399	4.7
97.04102	2.9
98.49233	2.2
101.02450	20.4
105.03460	35.4
108.02173	2.7
109.02969	15.4
111.05645	2.3
111.25818	1.9
113.02457	16.2
115.00381	6.1
119.03499	9.8
121.02956	6.2
122.03731	5.0
123.04498	2.7
124.01641	2.1
125.02435	2.1
125.17529	2.1
132.80368	2.0
133.01419	12.7
133.02943	24.4
135.04503	9.2
136.01637	3.0
137.02451	64.1
138.02783	2.9
139.03938	2.4
147.04498	7.4
148.01659	5.9
149.02455	15.9
150.03168	7.4
151.03973	9.4
159.04507	2.8
161.02417	4.0
161.04558	4.3
173.06155	2.0
174.03247	3.1
175.03949	3.3
177.01920	76.5
178.02698	15.5
179.03488	30.4
179.05635	4.7
187.07642	3.6
197.51149	2.0
200.04730	2.4
201.09195	2.2
203.05476	2.3
203.07127	12.8
204.07538	2.3
209.04515	57.3
209.06331	4.3
211.04176	2.6
211.06082	3.9
213.09248	10.8
215.07109	3.4
220.94939	2.2
221.06444	2.5
225.05370	2.5
229.08693	5.7
229.73178	2.0
231.10278	13.5
239.07109	3.7
241.08281	20.1
254.44937	2.0
263.16705	3.5
267.06253	3.1
281.17599	2.4
285.15436	2.0
297.08167	2.4
299.09268	18.5
300.09515	2.2
304.15985	1.9
311.05591	6.9
311.09103	2.2
325.07092	3.2
341.14044	4.3
344.08850	3.0
367.11774	5.4
369.09744	7.6
375.05060	7.3
381.09744	18.0
391.11771	6.6
409.13004	25.4
413.12411	7.2
423.14716	3.0
423.32651	7.4
441.15485	18.6
453.11728	6.0
485.14468	14.8
485.23767	7.9
485.31961	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77207	1.0
58.18838	0.9
58.95520	0.9
59.01381	15.6
69.95377	5.3
71.01388	3.3
73.02970	1.2
76.01748	1.2
79.19800	0.9
85.02930	1.3
88.17690	1.0
89.02429	1.2
93.03438	1.6
93.55660	1.0
98.19984	1.6
101.02432	1.3
109.02924	1.5
110.00076	1.3
117.40277	1.1
121.06650	1.6
124.01698	1.9
134.03734	1.1
135.04514	1.6
137.02452	6.7
149.02429	1.3
150.03230	4.7
158.03734	3.1
159.04454	1.7
159.08170	3.3
163.04018	2.2
164.04774	4.3
165.05573	27.4
166.06346	14.0
175.14859	1.0
175.50229	1.1
177.01855	2.3
187.07666	13.2
189.09216	1.8
191.03517	1.2
191.07129	1.6
191.23186	1.1
192.60402	1.0
205.08694	2.6
213.09204	1.1
223.61299	1.0
229.08745	1.2
230.09415	1.2
231.10222	8.7
232.10529	1.1
239.07141	1.5
240.07909	7.8
241.08675	8.1
245.08342	1.6
248.10538	2.3
251.11296	1.3
257.08261	1.2
262.45856	1.0
267.06561	6.2
269.11823	29.0
269.14700	1.6
270.12421	5.8
274.00781	1.0
275.09253	2.3
281.13937	6.7
285.07657	14.4
295.09637	1.1
296.10635	2.1
299.09314	6.3
302.11621	8.5
313.10843	8.8
314.11493	3.0
315.12326	3.5
340.09390	3.0
353.13910	1.5
369.13379	9.7
379.15436	7.5
380.15506	1.2
397.16556	100.0
398.16763	8.5
423.14612	6.0
441.15518	55.8
442.15921	5.5
485.14420	1.7
485.23862	1.9
485.33517	1.1
499.76730	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93458	0.6
59.01385	3.4
63.04934	0.8
69.93973	1.7
69.94387	1.7
71.01382	6.0
71.09133	0.7
72.99327	1.0
98.20581	1.1
101.02419	0.9
108.02208	0.9
109.65424	0.7
113.02478	0.7
115.00379	9.9
117.03407	0.9
119.05042	1.3
133.01431	15.2
139.83907	0.7
160.01631	0.9
161.02458	1.7
173.02458	3.8
174.03200	3.2
178.11618	0.7
187.07782	0.9
189.01918	8.0
201.01907	3.9
201.05455	0.7
202.02625	1.1
221.06120	0.8
221.37169	0.7
237.05530	2.8
239.03445	0.8
251.03438	0.8
253.04958	1.1
264.04221	2.7
265.05075	3.8
281.04504	1.7
291.03018	1.5
292.03699	3.3
293.04562	13.5
294.04883	1.0
308.03308	3.1
309.04028	4.1
309.56705	0.9
310.04813	35.9
311.05261	2.3
325.07162	100.0
326.07523	8.0
336.02841	3.5
351.05087	9.5
352.05627	1.0
369.06210	1.2
436.94165	0.7
454.13074	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3118
Annotation	Lantanoic acid
Peak:m/z	Relative Intensity
54.01698	0.3
55.01884	0.5
56.08453	0.4
57.03445	0.6
59.01378	22.5
60.01721	0.7
61.98832	1.7
63.49355	0.4
65.21838	0.4
69.03465	0.7
69.75422	0.4
69.75726	2.5
71.01379	8.6
71.05025	0.4
72.99295	0.7
73.02948	3.0
81.03485	0.4
83.01389	2.8
83.05051	0.4
85.02951	4.4
86.30708	0.3
87.00900	0.9
89.02447	4.1
93.03456	0.5
94.88820	0.4
95.01381	0.5
95.05025	2.1
99.00882	1.1
100.04037	4.7
101.02445	7.9
101.04398	0.6
106.04277	0.8
107.05018	2.1
109.06583	4.1
112.04058	1.1
113.02431	3.6
113.04389	0.5
115.13573	0.4
118.09096	0.4
119.03499	2.3
124.03950	0.5
128.03496	0.6
134.58185	0.4
152.99588	0.5
156.73723	0.4
161.04543	1.4
184.06299	0.6
197.91763	0.5
200.16908	0.5
202.07224	1.7
203.07463	0.7
227.12756	0.4
247.17152	0.9
315.23276	0.6
329.24908	1.6
345.28094	0.4
384.19531	0.5
395.25732	2.0
411.28748	0.8
423.23944	0.6
423.29309	0.5
425.26825	0.7
437.30511	0.6
439.32138	81.8
440.26392	0.6
440.32440	10.0
441.26706	2.5
443.27762	2.2
457.32748	0.8
483.31152	100.0
484.31488	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	483.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78661	0.3
54.57700	0.3
55.97783	0.3
57.24564	0.3
59.78669	0.3
64.88445	0.3
69.51728	0.6
69.52129	1.8
78.95905	7.3
78.96333	0.6
91.19991	0.3
96.96954	0.7
130.31255	0.3
130.64703	0.4
132.58754	0.3
152.99586	16.1
171.00648	0.9
172.87094	0.4
209.14110	0.3
227.03304	2.9
245.04254	1.0
255.23286	100.0
256.23682	5.8
448.02432	0.4
483.27255	26.6
484.27628	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
61.97732	0.4
64.55609	0.4
72.69162	0.3
78.95905	16.8
85.60532	0.5
90.50812	0.4
96.96954	1.8
98.19885	1.1
123.78020	0.5
144.10243	0.4
152.99586	28.9
171.00655	1.3
179.57407	0.5
221.72377	0.5
227.03287	5.6
245.04349	0.7
255.23280	100.0
256.23621	5.2
292.63718	0.4
391.22394	0.6
408.09555	0.4
483.27267	51.7
484.27576	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	483.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49941	7.3
54.73354	7.9
56.09828	7.9
59.01380	79.7
68.11694	9.2
71.01389	86.4
71.51227	10.6
71.51627	9.6
78.95945	8.0
84.46525	8.1
85.02947	8.6
89.02440	100.0
90.85168	9.0
92.18000	8.7
93.46158	7.7
101.02437	14.1
106.46423	7.5
113.02455	19.2
118.43159	8.1
119.03474	11.9
142.85570	8.7
143.03485	10.1
161.04602	11.7
179.05540	20.2
199.63275	8.5
227.52679	9.6
255.23341	12.5
303.23306	51.7
330.13644	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	483.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	1.2
57.03445	1.7
58.00570	0.8
59.01381	51.5
61.98804	2.8
63.74375	0.6
71.01385	32.0
71.04977	0.6
71.52615	0.8
72.99292	1.7
73.02554	0.9
73.02949	11.7
81.18663	0.7
83.01391	4.7
83.05030	8.8
85.02954	9.6
87.00888	4.3
89.02443	12.1
95.01363	1.7
96.61943	0.7
97.02968	0.9
99.00828	2.3
101.02448	19.8
102.02790	1.0
106.60715	0.6
113.02454	10.8
116.41132	0.7
119.03499	3.9
123.85930	0.7
124.01611	0.8
131.03522	0.9
143.03503	1.5
155.27870	0.7
159.03003	0.9
161.04437	2.3
247.20695	0.7
261.18372	1.9
279.19653	5.4
423.18457	1.1
423.23816	11.5
424.23926	1.3
440.71780	1.4
441.24905	27.7
442.25150	3.4
466.69977	0.8
483.25717	100.0
484.26105	9.6
491.47995	0.8
498.20895	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2601
Annotation	Pierisformosin D
Peak:m/z	Relative Intensity
55.01849	1.2
57.03445	1.7
58.00570	0.8
59.01381	51.5
61.98804	2.8
63.74375	0.6
71.01385	32.0
71.04977	0.6
71.52615	0.8
72.99292	1.7
73.02554	0.9
73.02949	11.7
81.18663	0.7
83.01391	4.7
83.05030	8.8
85.02954	9.6
87.00888	4.3
89.02443	12.1
95.01363	1.7
96.61943	0.7
97.02968	0.9
99.00828	2.3
101.02448	19.8
102.02790	1.0
106.60715	0.6
113.02454	10.8
116.41132	0.7
119.03499	3.9
123.85930	0.7
124.01611	0.8
131.03522	0.9
143.03503	1.5
155.27870	0.7
159.03003	0.9
161.04437	2.3
247.20695	0.7
261.18372	1.9
279.19653	5.4
423.18457	1.1
423.23816	11.5
424.23926	1.3
440.71780	1.4
441.24905	27.7
442.25150	3.4
466.69977	0.8
483.25717	100.0
484.26105	9.6
491.47995	0.8
498.20895	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20483	0.8
55.01883	2.0
57.03450	2.3
58.00588	1.0
59.01379	100.0
60.01701	1.0
61.29113	0.6
61.98848	1.6
64.92786	0.7
67.44434	0.7
68.98586	0.6
69.26888	5.8
71.01380	40.0
72.99319	2.2
73.02946	31.0
73.03361	1.4
75.00897	0.9
83.01382	9.4
85.02948	16.6
87.00863	1.0
89.02444	9.7
95.01399	2.9
96.73672	0.6
97.02959	0.9
99.00868	3.8
101.02441	37.1
102.02779	0.8
111.00925	1.9
111.72684	0.6
111.93441	0.6
113.02454	19.5
114.82442	0.8
119.03521	3.3
125.02444	1.6
129.01912	0.8
131.03503	1.4
143.03529	2.3
149.04549	1.3
154.24280	0.8
159.02988	3.4
161.04556	12.6
162.79047	0.6
176.68549	0.7
179.05656	0.8
196.73743	0.7
216.55733	0.6
307.02112	0.7
310.20349	0.7
321.24591	1.2
453.50677	0.8
483.29700	20.5
484.30212	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2597
Annotation	9-Hydroxynerolidol-9-O-beta-D-glucopyranoside-2',6'-O-diacetate
Peak:m/z	Relative Intensity
52.82180	0.3
58.00589	0.5
59.01380	100.0
60.01717	0.9
61.98827	0.4
70.36301	0.7
70.36662	0.6
71.01382	16.3
72.99318	1.0
73.02950	11.0
73.03362	0.6
83.01385	2.5
85.02950	3.0
87.00888	1.0
89.02444	9.7
95.01398	1.4
97.02935	0.3
99.00916	0.5
101.02444	11.0
101.03105	0.5
102.58698	0.3
107.05860	0.3
113.02446	10.1
115.92139	0.3
116.92899	0.4
119.03518	3.8
119.05056	0.6
131.03532	1.0
135.04538	0.3
143.03566	1.6
149.04582	0.8
154.56221	0.3
161.04585	2.3
163.04076	0.9
165.02081	0.3
170.44891	0.3
179.05678	1.2
211.85837	0.3
360.84003	0.3
387.21814	1.6
405.22910	1.4
423.23856	2.7
441.25110	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	8.8
69.71931	0.9
69.72350	0.4
71.01382	0.8
85.02963	0.7
86.54743	0.3
89.02441	0.5
93.03436	0.2
95.68604	0.2
97.82031	0.2
101.02455	0.6
103.04015	0.7
106.04237	0.4
109.02954	0.2
111.00892	0.3
111.99606	0.2
113.02445	0.7
117.03481	0.6
121.02924	1.1
133.02925	1.2
134.03737	50.4
135.04027	1.4
137.02441	5.6
139.04045	1.7
149.02379	0.3
149.06078	14.6
150.03192	0.8
150.06424	0.3
154.41606	0.2
160.01678	1.9
161.04503	0.3
175.04004	3.0
178.02705	26.9
179.03033	0.9
179.21217	0.2
193.05042	100.0
194.05371	4.0
203.03557	0.4
235.06087	0.4
279.08755	2.2
280.09067	0.2
298.41278	0.2
326.24759	0.2
338.28116	0.2
356.35153	0.2
397.11386	4.5
398.11795	0.3
404.51654	0.3
441.24988	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82578	0.7
59.01375	5.1
60.22397	0.6
69.49440	1.1
69.49842	3.4
71.01379	1.8
80.52708	0.7
80.58683	0.6
83.79569	0.7
85.02940	1.0
97.27685	0.7
101.02479	1.3
113.02457	1.0
134.03738	92.2
135.04083	2.6
137.02448	3.2
149.06075	36.2
150.06390	0.9
160.01640	1.8
175.04005	3.0
178.02695	13.8
193.05046	100.0
194.05389	3.7
203.03535	0.9
235.06111	1.5
279.08704	0.8
300.02750	1.2
301.03442	0.8
322.30554	0.8
361.23013	0.7
382.09988	0.7
397.06201	1.0
397.11337	20.3
398.11737	1.5
439.13718	1.4
447.09259	2.0
483.24084	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18698	31.6
57.15699	35.3
71.01376	51.8
71.50808	39.2
72.15571	33.1
74.36545	34.7
75.42917	33.7
76.43211	33.7
95.27293	34.5
96.96017	100.0
97.10847	33.0
115.00344	47.3
124.98607	35.4
133.01425	83.5
135.04543	51.4
137.06029	38.1
252.79472	39.9
293.06360	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77553	0.9
57.03437	0.9
59.01377	47.6
61.98829	100.0
69.28561	7.2
71.01379	17.9
73.02946	14.0
83.01385	3.3
85.02950	6.6
89.02439	5.1
91.83115	0.8
95.01401	1.3
96.95995	1.9
101.02442	20.0
113.02451	8.9
119.03500	1.6
131.03452	1.7
133.01448	0.8
135.04468	1.2
143.03490	1.1
147.36285	0.9
149.04546	2.4
161.04552	6.3
201.62492	1.2
221.06659	0.9
389.75458	1.0
464.50388	1.0
483.29584	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	482.276
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	2.1
59.01381	51.5
61.98836	10.9
69.29996	16.5
71.01381	21.7
71.05013	19.2
71.70029	2.0
73.02937	4.0
74.02503	2.2
75.49296	1.8
78.95883	2.3
81.03448	13.4
83.01383	4.4
83.05024	56.8
85.02956	5.3
86.02441	1.9
89.02444	6.5
94.06597	2.5
95.05017	10.9
97.06599	42.6
98.02488	3.8
98.19901	2.7
100.05044	2.0
100.51143	1.7
101.02453	9.8
109.06570	2.0
110.06104	4.0
113.02435	7.8
116.92835	2.1
119.03496	3.0
127.04014	4.2
127.11295	12.5
135.04492	2.3
141.05499	2.1
151.11267	1.8
151.38675	1.8
161.04553	2.9
163.11229	4.7
169.12346	100.0
170.12659	3.2
176.84474	2.0
181.12321	2.6
183.10278	2.2
194.15465	5.7
195.10210	3.7
207.10324	4.2
225.11333	18.0
232.13429	2.3
238.14395	3.0
243.12355	74.3
244.12689	2.9
250.14543	22.9
278.18484	2.2
282.13354	4.2
294.13452	35.4
320.00076	1.9
343.71008	2.0
398.23172	3.1
398.72888	2.5
419.23883	1.9
423.23871	3.2
439.32205	9.2
441.24884	4.2
482.17532	3.1
482.27435	5.9
483.30688	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
64.53872	0.9
70.83352	1.5
70.83689	1.5
78.95901	39.5
81.22739	0.9
96.96960	2.8
104.00970	1.0
123.68833	0.9
127.90208	1.0
128.21498	0.9
152.99579	58.5
153.99915	1.3
171.00650	17.2
227.03181	4.6
245.04297	100.0
246.04573	1.6
253.21715	63.2
254.22011	3.5
363.62308	1.0
434.76877	1.0
481.25681	36.2
482.26166	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	482.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.3
66.02615	0.2
67.76041	0.2
69.53266	0.2
71.01389	0.3
71.50872	0.3
78.10673	0.2
90.19415	0.2
96.09614	0.3
96.96007	1.2
99.67741	0.2
104.02686	1.5
105.03485	0.4
115.00340	0.4
119.05003	0.2
121.01172	0.5
123.00854	0.3
128.03531	0.4
132.02156	0.4
133.01421	0.5
135.04482	0.5
137.00664	1.0
137.06065	0.4
143.04616	0.8
148.01663	2.7
149.02419	2.9
165.00142	10.3
166.00397	0.3
176.01141	26.6
177.01523	1.1
177.73955	0.2
180.99617	0.6
195.60678	0.2
208.99124	100.0
209.99425	3.9
212.82655	0.2
263.09360	0.2
272.08902	1.6
306.07486	0.3
410.01663	0.2
482.08487	0.7
482.14713	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.8
57.03452	4.3
59.01380	100.0
61.98814	3.5
69.03440	3.9
69.36487	15.0
71.01384	49.6
71.01780	3.4
73.02933	10.7
80.96502	2.4
83.01399	7.4
85.02960	22.2
87.00886	3.8
89.02440	27.7
95.01389	6.3
96.96011	6.3
101.02435	27.2
112.08495	1.6
113.02456	29.8
115.00348	1.8
119.03516	10.3
131.03487	2.1
135.04482	2.5
143.03476	4.3
161.04521	7.3
163.04164	2.1
163.14931	2.4
170.02553	2.1
177.12840	4.9
179.05661	2.9
215.18048	3.5
233.19095	56.1
234.19408	2.4
247.87808	1.9
265.17944	2.5
277.14954	3.7
277.18066	49.1
278.18201	2.7
301.18359	2.8
358.54138	2.0
368.53998	1.8
374.12125	2.1
395.24341	4.7
421.22290	7.9
437.14542	4.4
439.23318	2.9
473.81238	1.9
481.23929	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	481.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05772	1.9
59.01109	3.4
59.01381	47.0
69.28608	5.1
69.29028	13.6
71.01383	21.4
72.77941	1.8
73.02953	9.2
75.00861	2.2
83.01398	4.3
85.02937	10.1
87.00895	3.3
89.02432	8.8
95.01397	2.9
95.29935	2.5
96.79173	2.2
99.00879	2.4
101.02464	12.0
113.02437	8.0
119.03475	2.6
132.40700	1.9
180.97154	1.9
213.16472	19.7
215.18025	2.2
229.15988	2.9
233.19005	4.0
242.73865	2.2
261.18546	11.4
277.18079	94.5
278.18448	5.8
301.18161	5.5
361.36658	2.2
421.22189	7.4
439.23340	28.3
481.24405	100.0
482.24551	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83832	1.3
55.01876	6.1
56.14665	1.4
57.03440	6.2
59.01380	60.6
61.98833	7.7
64.44636	1.3
68.99830	1.5
69.03461	3.2
69.35949	2.6
69.36360	8.5
70.37779	1.5
71.01385	73.5
71.05018	5.9
72.99339	3.1
73.02944	19.2
78.95880	2.0
81.03459	2.9
83.01390	23.3
85.02952	47.2
85.92675	1.2
87.00880	2.7
89.02438	14.7
95.01377	14.4
97.02936	7.3
99.00874	9.2
99.04527	22.5
100.05315	4.4
101.02448	29.1
101.06089	3.1
113.02448	63.8
115.04072	1.5
119.03490	4.7
119.26213	1.4
124.05193	1.5
125.02457	4.3
131.03522	1.5
135.04535	3.9
143.03499	6.3
144.88451	1.2
152.99643	3.6
159.03023	2.5
160.35991	1.3
161.04558	15.4
187.07634	1.6
193.15898	6.5
206.79668	1.5
215.03333	1.4
219.17549	2.1
237.18622	4.8
277.18256	2.1
289.16571	29.5
293.21246	5.8
337.23828	7.7
368.05756	1.4
421.09506	1.8
421.20758	30.7
422.20972	3.0
437.25473	1.9
463.26843	2.5
481.28113	100.0
482.28360	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	481.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.0
57.03451	1.3
58.00595	1.1
59.01379	100.0
60.01719	0.8
69.25651	1.8
69.26072	2.0
71.01382	29.3
72.99306	1.1
73.02945	13.6
83.01380	4.6
85.02951	9.7
87.00875	1.1
89.02445	17.3
95.01379	1.7
99.00892	2.1
101.02443	19.8
101.38953	0.4
103.26890	0.5
108.42429	0.5
111.00884	0.7
113.02454	11.9
119.03504	8.6
125.02414	1.1
131.03464	0.9
134.62172	0.4
143.03500	1.7
149.04553	0.9
159.02960	0.7
161.04573	4.0
166.79852	0.4
172.27306	0.6
179.05669	1.5
224.50037	0.4
233.19072	0.7
239.42665	0.4
248.60152	0.5
395.24164	3.9
401.44547	0.6
421.22318	1.6
439.23444	3.5
481.24408	81.3
482.24817	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	480.3092
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39687	0.1
51.87800	0.1
62.96398	0.1
69.26108	0.3
69.26534	0.3
78.95902	19.0
79.63117	0.1
95.45554	0.1
96.96951	0.4
98.20676	0.1
104.97456	0.1
122.98524	0.2
125.71866	0.1
134.98518	0.1
150.98015	0.1
152.99577	3.3
159.32735	0.1
168.04301	2.7
168.05731	0.1
171.00647	0.3
194.05846	0.1
224.06915	8.1
225.07294	0.2
227.03140	0.1
237.22220	0.2
242.07983	1.8
245.04306	1.7
253.21722	1.2
255.23274	100.0
256.23608	6.0
391.22318	0.2
480.30920	22.5
481.25400	0.6
481.31274	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	479.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.7
58.46871	0.7
59.01381	100.0
60.01700	0.7
60.83615	0.7
61.98819	0.8
70.86234	0.6
71.01395	4.5
71.52946	1.0
72.99245	0.7
73.02943	0.8
78.21214	0.6
78.60751	0.7
80.12343	0.7
83.01426	0.9
85.02958	2.1
87.04518	4.3
89.02457	1.5
101.02441	4.5
107.84518	0.6
113.02470	1.5
122.00572	0.6
161.04616	0.9
162.76881	0.7
273.08032	0.7
388.37225	0.8
479.25769	4.4
479.76062	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63375	0.4
55.67844	0.4
59.01116	0.7
59.01380	11.0
61.98809	1.7
62.75162	0.4
63.73258	0.5
71.01378	4.6
71.52578	0.6
73.02928	1.3
73.39606	0.4
74.45505	0.4
77.53310	0.5
78.91852	0.5
83.01377	1.0
85.02944	1.9
89.02431	1.8
101.02441	2.6
109.63946	0.4
113.02441	2.2
119.03458	0.8
134.03746	0.4
134.06111	1.3
135.04555	0.5
136.07669	9.0
138.94185	0.5
161.04453	0.5
162.05609	2.6
183.09297	0.7
185.10880	3.3
198.07892	0.8
199.08701	0.7
211.08748	6.3
212.09435	1.4
213.10316	20.3
214.07314	0.7
214.10797	1.9
215.11801	1.3
224.07196	0.6
225.06700	1.8
225.10258	0.6
226.07446	2.0
227.08197	0.6
229.13501	1.5
238.07469	0.6
239.08252	20.3
240.08983	5.3
241.09813	32.2
242.10152	2.8
249.06808	0.5
254.10683	0.5
255.11365	2.0
257.09396	1.0
266.06790	1.1
267.07733	30.3
268.08270	2.9
269.09262	0.8
271.10809	0.7
273.12479	7.7
281.09286	1.1
283.07269	1.0
284.08133	0.7
297.08829	0.9
299.10355	100.0
300.10745	6.7
317.11404	61.0
318.11749	4.2
343.09366	0.5
396.99133	0.5
436.18668	0.7
480.17651	11.1
480.23993	1.0
481.18109	0.8
481.23950	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	478.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15377	1.7
59.01369	2.0
61.98833	100.0
67.57525	1.7
71.22725	1.8
71.52200	2.7
78.95939	1.8
84.73064	1.7
85.81045	1.7
117.46822	2.0
138.63023	1.9
153.67482	1.6
217.29686	1.8
304.76288	1.9
338.34448	1.9
435.10187	1.9
478.32693	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	479.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
66.87377	19.4
71.06455	41.2
98.84957	19.4
127.95186	21.6
128.16171	19.5
135.04497	22.8
136.05269	32.3
140.54665	24.3
151.76041	22.0
171.97636	22.4
177.05664	31.1
195.06596	100.0
239.05473	26.1
423.48059	20.7
437.42856	20.8
465.06372	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	479.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21323	18.2
55.03398	18.2
70.87952	43.2
71.01378	19.7
73.74974	16.3
98.20606	18.6
105.23742	17.6
109.22935	17.4
136.05324	27.0
177.05551	26.0
195.06648	100.0
209.86092	20.5
239.05394	26.7
265.83862	21.1
315.95905	23.7
330.18097	18.9
426.69812	20.3
503.91956	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
69.28769	20.6
69.29181	6.9
71.01387	24.4
73.02938	7.6
85.02948	9.4
89.02440	15.4
89.44366	2.5
99.00921	2.9
101.02452	18.2
113.02438	13.5
119.03455	5.2
135.39935	3.3
161.04526	4.5
177.09421	2.7
179.05569	4.3
471.78348	3.1
479.20444	5.5
479.25803	25.1
479.75702	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	477.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.7
57.03441	1.0
59.01379	14.2
61.98826	1.1
69.03452	3.2
69.27066	3.4
69.27480	1.2
71.01376	5.1
71.05007	2.8
72.97528	1.4
73.02940	1.9
73.04965	0.7
74.02489	0.8
79.88557	0.4
83.01376	0.7
85.02956	1.4
87.00880	0.7
88.08200	0.5
89.02454	3.7
97.06560	0.7
98.19918	0.9
99.00886	0.6
99.11552	0.5
101.02443	4.3
113.02454	2.2
115.00349	0.8
119.03473	0.9
121.02977	0.6
123.08132	0.8
125.00736	0.5
125.09701	1.2
131.48111	0.5
133.01421	1.4
135.04567	0.7
137.09662	0.6
141.19090	0.5
151.11256	1.4
153.00172	1.3
153.12866	2.2
154.55136	0.5
161.04556	1.1
161.09756	1.8
179.10776	5.9
186.02783	0.5
197.11823	98.6
198.12158	4.7
220.94841	0.5
223.09785	1.6
237.07697	0.9
241.10805	10.4
253.09235	3.1
255.08926	0.6
268.07327	0.7
272.70795	0.5
276.64188	0.5
283.09650	1.5
315.14212	0.8
315.17990	0.5
317.13834	1.4
329.10156	0.8
361.07520	2.3
373.07153	0.6
386.02405	0.6
391.08398	3.9
427.03284	0.5
459.18954	0.8
477.19733	100.0
478.20105	9.9
478.26715	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38155	0.2
52.78906	0.3
59.01381	1.2
60.77913	0.2
61.03619	0.3
61.98831	100.0
69.44411	2.1
80.42870	0.3
82.89863	0.2
92.22317	0.3
127.05835	0.2
197.11563	0.3
342.47400	0.3
449.16479	0.3
479.25455	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65442	0.7
52.09415	0.7
55.01868	1.0
59.01380	100.0
60.01694	0.8
67.03021	1.0
67.63418	0.7
71.01383	8.9
73.02959	2.9
83.01424	1.3
83.06147	10.7
83.06628	0.8
85.02951	4.4
98.19859	1.9
101.02439	4.9
113.02470	3.0
124.79649	0.7
139.89563	0.7
161.04605	2.0
230.09848	0.9
317.17188	9.5
359.18378	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	478.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
70.52886	1.8
76.55400	0.5
79.52935	0.5
98.20502	0.6
106.46751	0.5
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
50.43520	0.6
51.15210	0.6
54.04668	0.5
59.01397	1.2
59.13034	0.6
71.51733	0.6
75.10015	0.6
78.95898	17.9
96.96988	1.3
110.04489	0.5
115.15914	0.5
124.96060	0.5
126.35796	0.5
133.02960	1.2
134.03610	0.4
135.04553	3.3
136.04863	1.2
139.47601	0.5
140.01260	1.8
152.99619	2.6
161.02431	4.1
162.02817	2.4
171.00699	1.9
179.03564	1.8
196.03851	1.3
214.04828	2.3
217.21805	0.6
279.23267	100.0
280.23584	7.5
284.01849	0.7
385.03696	0.7
439.63684	0.7
476.27457	25.7
477.27762	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	477.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26404	4.3
59.01376	14.0
61.98824	8.3
63.03882	3.8
71.01390	12.8
71.50987	8.6
73.02953	4.4
77.47356	4.3
108.34901	5.2
115.00356	13.3
121.02953	8.1
124.01645	7.6
133.01418	12.4
135.01251	23.2
135.04517	28.6
137.02484	5.2
139.04028	6.1
146.03751	10.5
147.04529	26.3
148.01654	6.7
159.04518	10.8
161.06114	28.4
174.03242	4.6
175.03941	6.1
177.05634	7.4
179.03494	24.2
181.05083	4.7
185.06081	6.0
187.04121	6.6
187.07538	7.0
191.03445	5.5
197.06102	8.9
199.07616	12.0
203.03540	6.4
209.06046	5.2
211.04030	5.3
212.04790	7.0
213.05534	13.3
215.03513	5.5
215.07135	14.2
225.05489	7.8
227.03606	6.2
227.07060	6.7
228.04243	9.0
239.03328	8.2
239.07021	7.1
240.04282	6.4
241.05019	20.7
241.08650	9.6
242.05702	7.8
243.02957	26.8
243.06641	11.1
249.05473	7.5
251.07104	10.6
253.05052	35.6
254.05833	5.1
256.03757	12.3
257.04425	8.8
257.08289	7.7
258.05350	7.5
259.06165	23.2
263.03625	4.6
265.05124	5.0
267.03046	5.6
267.06635	27.3
268.07123	12.4
269.08163	11.0
271.06186	17.6
284.03238	21.3
285.04016	9.2
285.07571	11.0
286.10892	20.3
294.05341	10.3
295.06110	57.9
311.05356	7.1
313.07169	47.0
314.04144	6.5
316.05856	19.6
317.10437	7.6
326.07864	9.0
327.08713	91.1
328.09161	7.0
329.06732	6.1
330.09894	6.0
345.09811	56.3
357.06116	44.1
361.09244	6.1
389.08853	100.0
390.09274	10.3
403.89093	5.7
477.10776	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	476.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	0.4
61.98820	2.1
63.35958	0.4
66.83132	0.3
69.14846	1.7
69.15269	2.3
72.22737	0.3
74.64082	0.4
78.95906	100.0
87.11351	0.4
93.10177	0.3
94.32159	0.3
96.96961	8.3
98.20721	0.6
109.94201	0.4
140.01196	0.7
143.07230	0.4
150.98000	0.4
152.99583	16.8
171.00645	17.1
214.04642	0.4
402.24185	1.4
476.27820	63.3
477.27640	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	476.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02966	9.8
59.01368	2.3
61.98831	1.5
71.52003	1.4
74.02474	20.3
74.05676	1.4
91.27489	1.7
96.96014	1.5
97.04030	2.0
99.05621	13.6
99.30956	1.6
107.19626	1.3
112.04047	13.7
131.04614	4.4
143.04619	49.7
143.94490	1.3
160.04063	1.4
177.03391	100.0
201.03386	2.4
255.06593	3.3
256.07288	5.2
285.10086	3.9
300.12473	7.4
314.08203	5.2
344.11295	8.4
345.11615	2.0
356.09198	5.8
386.10315	2.7
476.13425	33.9
477.13681	3.8
481.30145	1.5
501.39890	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2783
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
58.52694	0.3
59.01375	0.4
61.98821	0.9
62.33902	0.3
69.89831	0.5
69.90228	1.1
78.95905	32.7
96.96965	1.1
114.88106	0.3
122.00092	0.8
135.04526	0.5
140.01195	5.7
141.31056	0.3
152.99565	3.8
157.49504	0.3
171.00636	1.9
179.04752	0.3
196.03793	10.9
201.24994	0.3
214.04892	2.7
241.87679	0.3
278.77863	0.4
279.23285	100.0
280.23651	8.7
447.66736	0.3
476.27789	34.5
477.27966	3.5
477.33688	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3429
Annotation	25-Methyldolichosterone
Peak:m/z	Relative Intensity
57.03448	5.1
59.01369	0.9
69.03460	1.9
70.74883	0.5
70.75203	0.4
79.87611	0.3
81.03458	0.4
83.05017	0.5
95.05003	0.4
99.08163	0.4
111.08252	0.3
182.01816	0.4
237.64061	0.4
287.48395	0.3
295.20569	0.5
297.22165	0.7
298.22729	0.4
306.25183	0.4
307.25513	0.7
311.23782	8.8
312.24146	0.9
313.25439	1.1
327.26913	27.6
328.27307	1.9
339.20178	0.5
339.27032	0.5
341.24976	0.5
343.22787	1.1
371.33292	1.3
381.27893	0.4
385.34857	0.4
387.36401	4.7
388.36493	0.7
395.33124	1.3
397.31088	35.1
398.31433	4.1
413.34232	19.7
413.39914	0.6
414.34448	2.2
415.32245	0.5
431.35306	8.7
432.35449	0.9
457.33203	5.9
475.34296	100.0
476.34637	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	475.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29849	0.4
52.10121	0.4
57.03451	0.6
59.01369	1.3
59.15225	0.4
60.18697	0.4
65.00509	0.4
71.51360	0.6
76.00185	0.4
83.98346	0.5
98.20514	0.5
105.15320	0.5
109.06589	3.2
111.08171	1.3
111.38924	0.4
114.24261	0.5
123.08181	0.9
125.09731	4.6
163.64235	0.5
243.17476	1.2
245.19095	0.8
247.17050	0.5
259.20663	18.6
260.20941	1.0
273.18573	1.5
334.36389	0.5
371.33200	13.3
372.33514	1.3
385.34833	0.8
387.36337	6.4
397.31104	6.6
398.31375	0.6
413.34415	2.7
431.35291	15.8
432.35641	1.7
475.34286	100.0
476.34650	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.255
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82454	0.5
59.01377	100.0
60.01721	0.9
61.98833	0.6
63.56849	0.4
69.51479	2.9
71.01377	3.9
73.02952	1.1
83.01398	0.8
84.08971	0.5
85.02958	0.9
89.02471	1.4
96.08252	0.6
98.19891	0.8
99.00914	0.5
101.02447	2.6
102.50294	0.5
108.45757	0.4
113.02460	1.9
113.09723	0.6
119.03511	0.6
124.07691	0.7
133.01500	0.6
135.04532	0.5
137.02460	0.6
161.04584	0.8
177.01976	0.6
221.11874	1.3
237.18636	0.5
238.18953	0.6
257.21283	1.1
258.21643	1.0
304.22183	0.6
345.24765	0.8
371.24542	1.2
407.29630	0.5
415.14581	0.5
415.23364	4.4
428.50699	0.5
431.17276	0.6
431.26636	0.9
431.31970	5.6
433.24438	0.7
474.30823	0.5
475.25128	1.8
475.31061	11.0
476.31641	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3428
Annotation	25-Methyldolichosterone
Peak:m/z	Relative Intensity
50.65272	0.4
56.70493	0.4
59.01369	1.5
63.87926	0.4
64.00176	0.5
70.37480	0.4
70.37818	1.4
87.30803	0.4
88.80000	0.4
90.57415	0.4
94.04226	0.4
95.01324	0.4
95.05035	1.3
111.08157	0.4
136.99448	0.4
137.09731	2.4
139.11285	10.3
151.11279	0.5
188.38759	0.4
235.16998	1.6
239.16486	5.5
269.78088	0.4
277.30087	0.4
279.23340	0.4
355.30197	0.4
385.34689	0.5
387.36212	2.7
407.92542	0.5
431.35352	14.0
432.35803	1.6
457.33246	1.3
475.34283	100.0
476.34674	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	475.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.5
57.03440	1.4
57.40000	0.5
58.00571	1.4
58.93498	0.6
59.01378	100.0
60.01705	1.8
70.33551	1.4
71.01380	25.3
72.99303	0.8
73.02946	5.0
83.01393	2.1
85.02939	6.4
87.00903	1.9
87.04535	1.5
89.02443	27.8
89.04798	0.6
95.01398	2.8
99.00918	1.8
101.02445	17.0
101.06113	2.2
113.02444	16.9
119.03503	14.4
125.02515	0.9
131.03522	2.0
143.03484	2.9
147.11842	1.7
149.04486	0.9
161.04550	4.8
178.04900	0.7
179.05608	7.7
355.21362	2.6
373.22403	0.8
415.23520	3.6
433.24402	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	475.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77225	0.5
55.01874	1.2
57.03447	1.8
58.00592	2.0
59.01379	100.0
60.01712	0.7
69.03467	1.1
69.36205	4.5
71.01380	29.2
71.05038	1.5
72.99291	1.5
73.02944	5.5
74.72639	0.5
81.03454	0.8
83.01379	3.3
85.02951	8.7
87.00851	3.2
87.04535	2.0
89.02445	22.8
90.02803	0.6
95.01400	3.3
97.02975	0.9
98.20728	0.6
99.00892	2.3
99.04549	0.8
101.02446	17.2
101.06091	2.3
112.01640	0.6
113.02453	19.2
119.03501	10.0
125.02489	1.5
131.03523	1.0
133.01472	0.6
143.03494	4.1
147.11818	0.7
149.04559	1.2
159.03008	0.7
161.04568	5.7
178.04852	0.9
179.05608	6.0
181.12473	0.6
183.13786	0.5
212.02373	0.5
243.97668	0.5
257.63898	0.6
271.06180	1.0
271.19083	1.4
297.93405	0.5
309.29471	0.5
315.18201	2.8
343.17746	0.9
355.21381	1.5
397.22025	0.8
415.23325	13.3
416.23807	1.8
418.55902	0.6
433.24530	8.9
434.24939	0.8
475.21201	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	475.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.9
57.03452	2.1
58.00582	1.1
58.61557	0.8
59.01380	100.0
60.01721	1.4
61.98833	1.9
63.23960	0.7
69.03459	1.0
69.22315	7.5
70.53859	0.7
71.01380	25.9
71.05030	1.3
72.99323	1.3
73.02944	6.3
75.00896	1.0
81.03484	1.0
83.01388	3.9
85.02947	8.0
87.00883	1.6
87.04543	1.1
89.02447	15.2
93.03477	0.9
95.01407	1.8
97.02984	1.1
99.00897	2.3
99.04519	0.9
101.02444	18.6
101.06129	0.9
111.00912	0.7
113.02450	12.4
115.00393	1.4
119.03503	7.3
120.03838	0.8
125.02449	1.2
131.03546	2.2
133.01501	1.0
134.03752	0.8
135.04507	1.6
137.02347	0.9
138.03169	1.0
138.28564	0.7
143.03535	2.3
147.11803	1.3
148.04071	0.9
150.03276	1.0
159.03073	1.0
161.04553	7.6
165.05606	1.9
168.31279	0.8
177.01913	2.5
179.05621	4.2
193.05077	0.7
209.04558	1.4
237.17227	0.7
253.08794	2.6
271.11774	1.2
271.19284	1.6
296.67068	0.8
313.20572	0.9
314.10315	2.3
315.10651	4.4
315.18030	1.1
331.06619	2.7
359.11459	0.9
388.87460	0.7
397.22266	1.6
415.23422	13.4
416.24023	1.0
433.24539	7.7
434.24631	1.4
448.72018	0.7
457.23788	1.0
475.15924	0.8
475.25729	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	475.182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
62.30865	4.4
70.97932	9.8
71.01382	63.7
72.98567	4.7
73.02930	11.1
85.02920	7.1
89.02444	96.9
99.00880	20.2
101.02436	39.3
102.12427	4.3
103.97114	4.9
109.02937	8.1
113.02458	12.7
115.00386	5.7
116.70753	4.3
119.03527	11.7
128.43924	5.3
131.03505	14.3
132.37373	5.3
135.02959	10.3
135.04532	9.1
140.31339	4.8
147.04543	32.1
148.04901	6.5
149.04558	70.6
163.51265	5.0
177.50871	4.7
179.05623	6.4
191.05545	10.5
209.04623	6.4
229.01370	4.9
269.08197	8.8
270.08524	8.0
271.08878	5.8
313.07330	6.9
339.05057	9.4
414.46014	5.5
415.16113	39.1
455.29126	5.1
470.42682	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	475.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36182	24.1
59.01378	71.1
71.01382	24.3
71.52187	33.2
72.40440	20.4
73.41507	21.9
75.24365	22.8
106.50003	21.3
112.57428	21.4
152.99605	23.1
251.35645	23.3
254.05827	53.2
255.06679	43.5
277.21704	34.0
349.61572	25.8
394.16400	26.0
395.18604	54.9
475.34143	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57179	0.5
57.03430	1.0
59.01380	100.0
60.01698	0.6
61.98835	6.1
65.02954	0.5
67.76826	0.4
69.03453	0.7
70.83749	1.2
71.01382	13.4
72.99306	0.9
73.02947	3.5
75.00886	1.3
83.01390	1.7
85.02967	3.5
87.00871	0.7
87.04524	0.6
89.02449	10.3
90.66837	0.5
95.01392	1.8
99.00908	0.6
101.02446	9.8
105.03500	0.5
109.02972	1.6
113.02450	8.5
116.34110	0.5
119.03503	4.1
119.05047	0.9
121.02986	0.5
133.01428	0.8
133.02979	1.1
135.02989	3.3
135.04546	1.4
143.03493	1.0
145.01404	0.5
146.03632	0.5
147.04520	3.1
149.02336	0.5
149.04512	0.6
150.66476	0.5
151.00345	0.5
153.41191	0.5
154.63696	0.4
159.04544	0.8
161.02478	1.8
161.04559	2.6
165.05565	0.5
177.01930	2.4
178.89355	0.5
179.03458	1.0
179.05643	1.8
209.04593	1.9
229.01291	0.7
253.18076	1.1
269.08270	0.7
271.06219	0.7
271.19238	2.1
313.07153	0.7
314.10806	0.7
315.10724	1.6
329.10626	1.0
339.05002	3.3
362.14096	1.4
397.22607	0.6
413.18356	0.6
415.23386	24.2
416.23587	2.9
433.24631	2.0
475.18683	0.6
475.25946	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	32.6
69.44238	58.1
71.01373	37.3
84.27168	9.5
89.02457	25.4
101.25803	8.7
115.00368	44.1
119.03506	9.3
132.94637	97.9
133.01445	100.0
147.20795	8.7
179.05611	13.7
191.05586	56.0
215.34599	8.8
341.10956	82.4
377.08630	61.2
415.04010	18.1
498.19766	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	475.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34896	0.7
56.68926	0.8
59.01110	1.2
59.01381	17.3
60.95157	0.7
65.01059	0.8
71.01398	7.1
71.60327	0.8
72.99317	1.4
73.02927	1.1
75.00871	9.7
81.86818	0.9
85.02958	0.8
89.02445	7.9
93.03493	1.3
101.02445	6.0
108.02177	1.2
109.02956	26.0
113.02402	1.4
115.00372	1.8
115.07857	0.8
119.05046	2.7
121.02953	3.0
123.04549	1.5
129.03452	6.2
131.03474	3.8
131.05038	1.0
133.01443	1.4
133.02966	2.7
135.03001	21.2
135.04503	6.1
136.03307	1.1
137.02470	1.2
145.02962	9.8
145.07680	0.8
146.03787	5.0
147.04526	56.7
148.04860	2.9
149.04559	3.6
157.02954	5.6
158.03708	1.2
159.04520	18.8
160.04903	1.0
161.02397	1.2
161.04553	0.9
163.03958	1.0
173.02399	2.5
174.03183	1.5
175.03987	2.6
177.01944	1.1
179.03508	1.8
179.05594	1.3
181.05031	1.8
185.02396	3.3
191.05574	2.0
193.06570	1.3
197.06137	1.0
201.01999	1.3
203.03513	1.3
209.04579	1.7
211.07626	1.6
221.06079	1.8
229.01398	32.0
230.01804	1.4
233.06087	0.9
239.07147	3.3
248.04652	1.4
249.05614	6.1
250.06201	2.6
251.07164	1.3
253.05035	2.1
266.05789	2.0
267.06628	18.4
268.06915	1.4
269.08173	28.4
270.08524	2.5
276.04306	1.2
277.05087	11.5
278.05698	4.0
293.04758	4.6
294.05310	4.2
295.06082	23.3
296.06534	1.3
313.07153	15.8
314.07538	1.2
315.08777	1.6
321.03970	0.9
339.05075	100.0
340.05420	7.5
357.06085	4.5
379.64059	0.9
475.08881	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	474.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71136	3.8
59.01375	10.9
61.98830	100.0
78.95902	78.5
96.96935	6.8
133.02927	11.3
134.03767	4.2
135.04492	25.5
137.02409	4.2
152.99577	18.8
153.22072	2.8
161.02461	26.7
165.97232	2.9
171.00627	8.8
174.70763	3.3
178.02698	3.0
179.03479	10.8
181.82109	3.3
277.21765	19.4
474.26276	40.6
475.20383	6.1
475.26892	70.0
475.34033	13.8
487.05283	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	474.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12814	0.4
55.31787	0.5
59.01367	2.2
61.50480	0.5
61.98840	3.2
66.13520	0.5
78.95903	39.1
96.96929	0.9
98.75349	0.5
122.00142	0.8
130.91212	0.6
132.70982	0.5
133.02885	0.6
135.04482	1.6
137.02534	0.6
140.01181	6.8
152.99593	5.4
161.02435	1.5
171.00658	2.7
179.03528	0.8
196.03777	14.6
214.04861	3.4
276.54980	0.5
277.21707	100.0
278.22092	8.2
290.66782	0.5
431.31915	0.7
446.30939	0.5
469.24197	0.7
474.26236	33.6
475.26062	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97360	0.4
59.01375	4.3
61.98833	16.3
69.24682	4.2
71.01408	0.7
78.95905	29.1
103.77649	0.4
111.77082	0.5
122.00127	1.4
133.02882	0.5
135.04515	0.9
140.01199	8.1
143.13092	0.4
152.99591	3.3
161.02451	1.0
167.59659	0.5
169.08859	0.5
188.47910	0.5
193.16084	0.5
196.03798	15.0
214.04826	3.8
233.22694	1.1
259.20627	0.8
277.21719	100.0
278.22089	8.3
294.63571	0.4
474.26245	25.9
474.32330	0.9
475.26343	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3637
Annotation	12beta-Acetoxyergost-5-ene-3beta,23-diol
Peak:m/z	Relative Intensity
59.01382	100.0
63.05788	1.1
64.85707	1.0
70.73949	1.4
70.74273	2.0
79.07806	1.2
85.06567	1.7
89.69594	1.0
103.18942	1.1
120.19961	1.0
122.72715	1.0
184.72513	1.1
205.15967	7.6
387.36325	1.8
413.34268	35.8
414.34616	3.8
431.35287	35.8
432.35605	3.8
457.25131	4.5
473.28345	35.4
473.35580	1.9
474.28577	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	473.3636
Annotation	Chichipegenin
Peak:m/z	Relative Intensity
59.01378	1.3
69.03455	1.3
95.05033	3.9
126.92493	0.8
137.09723	5.5
139.11284	25.2
140.11601	1.1
149.09677	1.7
153.09192	0.9
189.12849	0.9
205.15970	9.0
207.17601	1.0
212.82880	0.7
229.04309	0.8
245.18997	1.1
259.20596	1.1
273.18503	2.2
375.29022	9.3
376.29385	0.9
401.37991	2.2
413.34213	1.4
427.35797	8.6
428.36032	1.1
429.37659	9.8
430.37579	1.3
443.35254	1.0
450.86987	0.9
455.35315	38.2
456.35727	5.2
457.25082	3.9
473.28333	29.7
473.36282	100.0
474.28705	3.8
474.36624	11.5
480.12137	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01017	1.9
54.13849	2.1
55.44898	2.1
58.87973	1.9
59.01379	20.2
60.38300	1.7
64.29363	2.0
69.85503	10.9
71.01385	11.1
75.00862	5.0
84.54042	2.3
85.02956	2.4
93.03468	7.3
93.68149	2.3
94.06636	6.5
97.06617	6.1
101.69524	2.1
109.02949	9.4
115.00394	14.9
119.05042	5.4
121.02963	6.1
121.06645	3.8
133.01456	14.9
133.02975	5.8
134.03712	3.3
135.03009	4.9
135.04544	13.2
137.02448	75.9
138.03261	16.6
147.04518	17.5
148.04019	63.8
149.02426	2.5
149.06070	2.3
150.03293	12.0
150.04250	2.0
151.04018	10.9
159.04478	3.4
161.02449	3.3
165.05563	53.6
167.05908	7.0
173.04791	3.5
177.01939	3.9
179.03468	6.4
180.03749	2.5
196.05038	2.4
202.06697	2.7
202.08739	33.6
205.08670	3.1
213.05522	5.5
218.28065	2.4
220.09753	11.1
227.07205	3.1
229.01434	2.2
238.97073	2.5
239.07193	2.8
240.07990	14.1
241.08707	26.3
242.09360	6.8
245.10606	13.3
246.11278	26.5
253.08681	9.7
253.47023	2.0
263.11627	3.6
269.04773	3.6
269.08157	8.0
270.08560	4.4
270.11368	21.6
271.12088	3.9
274.08405	3.8
285.07651	11.4
286.08493	5.5
294.05063	3.7
294.11285	3.3
295.06137	3.1
298.08514	26.3
299.09018	3.9
303.11115	6.9
313.07184	3.9
314.07278	4.8
314.10464	11.0
315.11063	10.1
324.15988	3.7
327.38892	2.1
335.09488	2.6
337.03418	3.3
338.03839	7.2
339.04935	10.5
368.15021	15.1
394.16583	100.0
395.17117	10.5
412.17670	98.0
413.17932	10.1
430.04892	3.9
475.08249	2.9
491.90640	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	473.3272
Annotation	CHEBI:69578
Peak:m/z	Relative Intensity
58.84974	1.0
68.58987	1.1
70.02552	4.9
73.60045	1.0
75.50474	1.0
87.04497	7.2
99.82188	1.0
140.40176	1.0
161.75200	1.3
205.16002	9.3
232.74246	1.1
278.73508	1.1
313.25159	4.5
329.28326	1.7
343.29996	2.1
357.38028	1.2
385.34763	68.9
386.35001	9.7
401.33878	3.6
411.36057	3.9
429.33609	71.1
430.33951	9.3
455.35089	9.1
456.35291	1.5
457.24902	3.3
473.27698	16.5
473.32428	100.0
474.32538	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3634
Annotation	Myrrhanol B
Peak:m/z	Relative Intensity
58.00583	1.5
60.19250	0.6
60.99304	1.0
66.27723	0.6
69.03442	1.7
70.74133	1.5
73.46379	0.7
79.13017	0.7
85.76118	0.7
135.34335	0.7
189.12947	1.5
205.15958	10.3
339.77838	0.7
388.94650	0.7
393.31387	1.2
395.33112	1.0
397.35071	1.6
399.36060	1.0
409.34689	10.4
411.36652	5.3
412.36874	0.9
413.34119	2.7
421.31210	1.5
425.34326	3.4
429.37573	0.9
437.34537	1.3
455.35236	8.3
456.35544	1.1
457.25082	5.4
473.28250	43.2
473.36288	100.0
474.28717	4.7
474.36636	13.5
493.62119	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.306
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.0
59.01381	1.8
75.07967	0.8
76.18947	0.8
77.75195	0.9
82.02081	0.9
121.06593	19.5
133.06609	2.7
149.09721	100.0
150.10060	3.1
163.11273	5.9
173.06960	0.9
205.16006	8.3
265.18097	1.1
282.31299	0.9
297.18619	14.0
297.21857	1.6
298.18903	1.1
308.17444	1.0
311.20154	26.7
312.20532	2.4
313.25439	2.5
313.31134	0.9
323.20175	19.7
324.20517	2.9
332.46884	0.9
348.51538	1.0
387.32632	1.3
395.33090	2.4
411.36420	8.7
429.37183	2.9
443.69781	0.9
457.25089	4.5
473.30032	94.1
473.36499	39.6
474.30460	11.6
474.36853	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25122	0.4
55.01878	0.8
55.06194	0.4
57.03441	2.0
58.00607	0.8
59.01381	100.0
60.01719	0.7
61.98833	1.2
67.01891	0.5
67.72460	0.4
68.99812	0.9
69.03461	4.5
69.80118	0.9
69.80533	1.2
71.01384	34.1
72.01723	0.4
72.99308	2.7
72.99983	0.4
73.02947	4.5
81.03461	2.5
83.01368	3.6
85.02950	8.7
86.00098	0.5
87.00871	3.3
87.04524	0.4
89.02465	0.9
93.03488	1.2
95.01370	3.5
97.02950	4.9
99.00910	1.5
101.02451	6.3
111.00894	0.6
112.01678	2.3
112.55211	0.4
113.02461	6.1
113.09734	0.9
115.00362	0.5
115.04047	0.6
123.00867	0.5
123.08154	0.4
124.01661	10.5
125.02461	12.7
127.11302	1.3
133.02914	0.5
134.03735	0.5
135.04558	1.2
137.02483	0.9
141.12921	0.4
142.02730	0.7
143.03491	2.6
143.10829	0.8
177.01930	0.8
179.03511	0.5
203.10696	0.7
227.12846	0.5
231.10127	0.4
241.21811	0.7
251.20303	0.4
257.08212	0.6
269.08008	0.5
269.18115	0.5
269.21198	4.3
271.22836	0.6
275.09253	1.3
285.20645	0.6
287.22281	40.4
288.22617	1.8
299.22211	0.7
301.23883	1.6
311.22180	0.7
329.23288	4.1
341.23303	0.6
343.25266	0.5
353.23599	0.6
395.24356	0.7
401.25348	0.6
413.20435	0.4
413.25833	6.2
414.25818	0.6
429.24896	0.6
430.31818	0.5
431.26517	68.1
432.26886	6.3
473.27643	80.3
474.27881	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	473.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
58.08273	0.4
62.82867	0.4
69.88383	1.7
69.88769	0.8
78.95906	1.5
168.70984	0.5
182.38588	0.4
189.12816	1.8
205.15961	28.2
206.16284	1.5
267.11542	1.2
355.30246	0.6
385.34647	1.9
397.31033	1.3
413.34213	5.5
429.33499	1.7
429.38239	0.8
443.23306	1.1
447.75723	0.4
457.25095	14.0
458.25693	2.1
468.20639	0.5
473.28177	100.0
473.35922	8.9
474.21664	0.7
474.28528	12.7
474.35690	1.3
490.25174	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04972	1.0
57.03449	2.4
58.00570	2.0
59.01382	87.7
61.98822	4.5
69.03439	1.0
69.26855	3.4
69.27267	6.7
71.01385	31.4
72.99300	2.2
73.02940	4.9
83.01389	3.4
85.02950	6.7
87.00835	1.2
89.02449	20.7
93.03466	5.9
94.62699	1.1
95.01392	3.1
97.06585	1.1
98.20675	2.7
99.00849	1.5
99.92574	3.3
101.02443	18.6
113.02447	10.9
115.00388	1.1
115.92062	3.2
116.14609	1.3
116.92885	2.2
117.03471	1.1
119.03527	6.1
119.04964	1.2
121.02946	5.5
133.01385	2.0
133.02934	5.1
134.03741	3.5
135.04478	2.1
137.02454	5.7
159.04431	1.5
160.01680	2.7
161.02443	2.7
161.04573	1.8
171.10266	5.2
177.01964	3.0
177.05583	1.8
178.02689	3.9
179.03500	1.5
191.07027	1.5
219.04842	1.3
231.10298	1.3
251.16528	3.1
267.06644	3.5
267.16028	2.1
268.07410	3.7
268.16324	3.2
269.08200	2.7
269.16736	3.5
271.06140	1.9
272.06808	1.8
275.20175	2.1
280.07422	2.1
283.09784	8.1
284.10449	1.5
293.21213	4.4
296.10382	1.2
313.07266	2.2
316.05872	2.6
327.08749	13.4
328.09335	4.0
357.09775	6.2
369.13361	2.3
376.07867	3.2
455.08121	1.6
473.27554	100.0
474.27780	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.9
56.76256	0.4
57.03439	2.2
58.00595	0.9
59.01377	100.0
59.56823	0.4
60.01705	0.8
61.98817	1.3
67.01913	0.6
69.03455	3.8
69.36326	1.3
69.36751	1.8
71.01379	37.5
72.99308	2.4
73.02937	4.2
81.03432	2.9
83.01388	4.4
85.02950	9.5
86.00099	0.8
87.00871	3.2
87.04477	0.5
89.02470	1.1
91.34555	0.4
92.51521	0.4
93.03429	1.1
95.01358	2.2
97.02952	4.6
99.00887	1.4
99.04521	0.5
101.02451	5.7
101.06071	0.5
109.02941	0.5
111.00880	0.6
112.01667	3.1
113.02448	7.4
113.09770	0.7
115.04025	0.8
119.03471	0.5
121.02944	0.5
123.00911	0.5
124.01664	10.6
124.02526	0.8
125.02448	12.2
125.09724	0.8
127.11310	1.4
133.01424	0.8
135.04550	1.0
137.02452	0.8
142.02832	0.5
143.03497	2.6
143.10779	1.0
160.01701	0.6
179.03529	0.8
203.10854	1.0
233.02611	0.4
239.20114	0.5
241.21887	0.6
268.07529	0.5
269.21219	4.6
271.22794	0.5
275.09320	1.3
283.09680	0.6
283.22745	0.4
285.20758	1.0
287.22272	39.8
288.22620	2.0
299.22336	1.1
301.23810	1.6
311.18814	0.5
311.22198	0.9
313.07101	0.6
329.17273	0.5
329.23358	4.4
341.23285	0.5
353.23355	1.3
395.24246	0.9
413.20956	1.0
413.25986	5.1
425.15485	0.5
429.04938	0.6
429.24884	0.7
430.31354	0.5
431.26517	60.2
432.26941	6.1
473.27631	77.1
474.27878	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52884	0.5
59.01380	100.0
59.20226	0.5
60.01707	0.9
64.56194	0.4
69.35924	3.9
71.01381	0.8
85.02977	0.6
89.02423	0.9
101.02426	0.9
132.44012	0.4
132.87422	0.5
135.04515	0.6
137.02446	0.5
177.01949	0.7
179.03442	1.1
269.14175	1.1
293.14120	1.5
296.33655	0.5
314.10471	1.3
473.24139	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.0
56.59289	0.5
57.03445	2.4
58.00599	1.0
59.01380	100.0
60.01716	1.1
61.98813	1.4
69.03490	0.7
69.16336	5.9
71.01381	30.1
71.05007	0.6
72.99316	1.6
73.02943	13.6
74.00452	0.5
75.00890	0.6
77.40064	0.5
81.03435	0.9
83.01388	5.5
85.02949	13.5
87.00882	1.7
87.04512	2.9
89.02439	10.2
93.03461	0.9
95.01395	1.9
97.02956	0.6
99.00864	3.2
101.02441	21.0
101.06084	1.0
107.18510	0.7
113.02444	11.5
119.03511	3.5
119.04969	1.2
125.02422	1.3
135.04468	1.1
137.02449	0.8
143.03528	1.1
146.53925	0.6
154.00363	0.6
159.02983	1.3
161.04556	7.5
163.03987	0.7
179.03409	0.9
179.05576	1.1
181.12352	1.8
225.11229	1.5
251.16548	1.6
261.01053	0.6
262.01349	1.1
285.50580	0.7
287.22195	2.0
311.18536	0.9
329.23712	0.9
369.22717	0.9
379.12088	0.6
387.23792	12.9
388.24142	1.3
407.73767	0.6
413.21912	3.8
429.25085	3.4
429.29831	0.7
431.22281	6.1
473.23779	78.7
474.24142	8.1
474.30405	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.5
57.42353	1.3
59.01380	100.0
61.41147	1.3
61.98819	2.6
62.58614	1.2
70.07405	1.3
71.01386	14.1
71.80294	1.3
73.02945	4.3
85.02953	5.9
87.00853	2.6
88.04031	1.4
89.02452	4.5
99.04498	2.8
101.02452	7.5
101.06085	1.6
105.43020	1.8
113.02462	4.9
116.07166	1.4
116.92844	2.1
119.03490	2.6
124.07687	1.6
125.02465	1.5
130.82394	1.6
131.09084	1.3
133.02957	2.1
135.04553	4.8
137.02426	3.3
142.84074	1.4
146.12140	1.4
151.36043	1.5
161.04526	2.1
179.03465	2.6
213.38644	1.5
229.08784	1.8
257.21222	4.8
269.17599	1.9
293.50446	1.6
311.18057	1.7
326.88361	1.4
369.22873	12.7
387.23822	2.0
398.36090	1.5
413.21677	2.6
429.25064	10.3
429.30194	2.4
430.31680	19.1
431.22733	2.4
443.18872	4.1
473.14938	1.6
473.16275	2.1
473.23767	34.8
473.29910	2.5
474.24316	3.4
474.30597	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.239
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97800	0.5
59.01379	100.0
61.24513	0.5
61.98813	0.8
69.35707	1.6
69.36113	3.0
71.01379	9.2
73.02943	7.7
83.01409	1.9
85.02940	3.1
87.00899	1.1
89.02440	4.0
93.03460	1.2
95.01395	0.9
99.04499	0.7
101.02445	6.4
107.94636	0.6
113.02446	3.1
119.03520	1.8
133.01466	0.8
133.03012	2.1
134.03751	0.9
135.04553	1.3
137.02469	1.3
161.02402	0.8
161.04588	1.8
177.01976	2.4
178.02783	0.9
187.07629	3.4
231.06708	1.2
231.10361	1.3
257.08347	0.9
269.14331	0.6
269.17685	2.3
275.09442	1.2
311.09195	1.1
314.10345	1.4
341.14011	1.0
413.21970	2.7
431.22626	5.4
432.24274	0.6
473.23810	15.3
474.24377	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01738	1.0
61.98819	1.6
69.25282	6.0
69.25714	2.7
78.95909	16.8
96.96992	1.4
107.90179	0.9
109.15729	1.0
134.03728	1.2
152.99579	35.7
153.00827	1.8
153.95132	0.9
171.00613	1.3
181.04970	1.3
309.21194	0.9
357.61008	1.0
358.35809	0.9
422.15289	0.9
429.04471	1.2
463.75217	0.9
473.24103	3.6
473.33160	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	473.231
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.8
61.98826	1.0
71.04990	0.3
74.49605	0.3
78.15778	0.2
78.95902	53.9
96.96958	7.4
98.20650	1.0
109.12147	0.3
123.04538	0.3
133.02982	0.7
135.04498	1.0
137.02446	0.3
147.33980	0.3
150.98006	1.8
152.99582	100.0
153.99922	1.6
161.02454	0.9
171.00618	5.2
212.34254	0.3
235.18407	0.3
319.22824	0.4
350.32489	0.3
398.81418	0.3
473.23315	7.4
473.32620	0.8
474.23752	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	1.6
57.03446	8.5
58.00592	2.6
59.01380	95.5
61.98836	7.1
69.71952	1.7
71.01380	56.3
71.51734	1.4
72.01726	2.6
72.99303	5.8
73.02948	9.9
75.00867	2.2
79.05521	3.2
83.01392	6.8
83.05044	2.2
85.02948	15.4
87.00875	2.1
89.02446	25.7
93.03464	2.8
95.01379	4.2
97.06575	3.5
99.00899	2.8
101.02448	27.6
105.03492	3.5
109.02934	6.9
109.06655	1.4
113.02446	16.0
115.00373	30.6
119.03474	7.3
119.05021	3.5
121.02963	3.0
121.06601	14.3
122.03683	1.4
125.02467	2.0
129.03482	3.5
133.01422	19.2
133.02940	11.4
134.03699	2.4
135.02995	3.1
135.04529	25.0
137.02469	5.2
138.03204	2.4
145.02995	4.4
146.03754	1.3
147.04521	41.1
148.04945	1.8
148.47739	1.4
149.02472	1.9
151.04051	3.3
159.04532	5.8
161.02451	3.5
161.04604	3.2
163.04121	2.5
165.05571	1.4
169.06587	2.0
176.01085	2.7
177.01967	10.3
178.02657	2.1
179.03502	21.2
181.05133	2.1
189.16501	1.9
197.05945	1.5
211.03989	2.0
229.01566	2.1
231.17592	8.3
232.10646	2.0
247.11697	1.6
251.16367	1.7
267.06680	2.3
269.08148	10.0
270.11337	3.2
275.16470	6.3
281.04495	2.3
293.17584	6.2
295.06036	3.7
300.02795	2.3
311.05569	2.4
313.07150	16.0
314.10373	15.7
314.48120	1.6
337.03577	1.6
339.05246	4.9
357.05969	4.0
367.82745	1.7
413.21725	5.0
429.04565	3.7
431.22623	3.4
455.22861	100.0
456.23056	10.6
473.23959	88.9
474.17877	2.4
474.24316	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01404	1.0
59.01378	30.1
61.98820	3.1
69.51008	3.9
69.51428	3.0
69.78785	1.0
71.01379	45.1
72.99300	3.9
73.02934	2.4
75.00880	1.1
83.01401	1.7
85.02945	3.0
88.98817	8.9
89.02436	8.5
93.03419	1.6
94.44417	0.9
95.01397	1.3
95.05025	1.2
95.86373	1.1
101.02465	5.4
105.03432	4.2
108.02102	1.1
109.02956	15.2
113.02431	4.1
115.00369	84.1
119.03476	1.3
119.05029	5.7
121.02951	4.6
123.04509	1.2
124.01614	1.0
129.03468	6.2
133.01431	65.5
133.02928	20.8
134.01787	1.3
134.03719	4.5
135.02969	2.1
135.04520	55.6
136.04839	2.6
137.02425	6.5
138.03229	1.5
145.02971	7.2
146.03784	5.2
147.04517	100.0
148.04866	3.9
149.02461	1.5
151.03949	1.2
158.46634	1.0
159.04501	10.8
160.27158	1.0
161.02417	6.5
161.04514	2.6
163.88304	1.1
165.05490	1.4
175.04065	1.2
177.01927	17.5
178.02716	10.1
179.03494	39.1
180.03801	1.7
221.06061	1.1
227.25018	1.1
229.01436	6.4
249.05499	1.5
250.06413	1.4
267.06543	2.9
269.08167	26.7
270.08435	3.0
270.11276	2.4
275.02130	2.1
277.05038	2.0
281.04532	1.4
284.10211	1.0
293.04465	1.2
295.06012	3.2
296.20087	1.3
298.08466	1.2
311.05524	1.1
313.07193	32.9
314.07120	2.4
314.10269	9.3
337.03418	1.1
339.05145	7.8
359.58914	1.1
413.21979	1.9
429.04477	1.4
431.22516	1.4
455.22723	1.7
473.07745	5.8
473.23615	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03585	0.5
57.15384	0.5
59.01385	3.4
61.98819	0.7
63.36752	0.5
70.84951	1.2
71.01382	16.7
71.42194	0.5
73.02921	0.7
84.20152	0.6
89.02459	0.7
93.03490	0.6
101.02448	0.7
101.03922	0.5
108.02185	0.7
109.02950	18.6
110.03265	0.6
115.00377	37.5
116.00721	0.6
117.03489	0.6
119.05048	3.9
121.02946	3.1
123.04490	1.2
129.03464	9.0
130.04237	1.4
133.01428	5.9
133.02960	1.0
135.04558	2.3
145.02963	6.2
146.03741	5.5
147.04523	100.0
148.04858	4.3
157.02942	0.7
158.03673	0.9
159.04517	11.8
161.02461	0.8
171.45580	0.5
177.01884	0.7
179.03506	0.9
203.03471	0.8
225.94412	0.6
229.01341	3.9
239.07111	0.6
248.04822	0.6
249.05484	1.3
250.06183	0.7
267.06546	2.8
268.07312	0.6
269.08191	33.2
270.08426	2.9
277.05136	1.9
278.05731	0.6
293.04681	0.6
295.06088	2.8
313.07178	28.7
314.07587	1.7
339.05139	5.8
467.69925	0.5
473.01074	0.6
473.07339	2.0
473.24033	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49715	5.4
70.98773	12.8
71.01389	13.0
82.77870	5.3
95.13987	4.7
115.00383	38.5
115.41302	5.4
133.01439	100.0
133.02937	8.0
135.02950	8.3
135.04523	25.3
147.04517	23.4
177.01907	11.2
179.03571	27.8
217.27222	5.6
219.66281	6.6
269.08191	11.1
300.20459	5.3
311.05630	11.9
313.06833	11.6
337.03333	9.0
339.04846	11.1
429.04471	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	473.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30849	0.5
57.03440	1.3
59.01378	14.8
61.98825	0.8
68.68546	0.5
70.67236	1.4
71.01382	22.4
72.99295	1.3
73.02926	1.3
83.01373	0.8
83.52000	0.5
85.02952	1.9
87.00867	0.7
89.02453	2.7
92.05208	0.5
93.03472	1.2
95.01385	0.6
96.96007	1.2
98.95599	1.3
101.02427	3.7
101.03927	0.8
105.03465	0.7
108.02189	0.6
109.02954	17.0
113.02446	1.6
115.00372	37.2
119.03494	1.3
119.05009	4.7
121.02959	4.0
123.04527	2.0
129.03465	9.5
130.04201	0.7
133.01430	9.2
133.02940	3.6
134.03711	1.2
135.04524	7.0
137.02487	1.0
139.07617	1.9
145.02936	6.9
146.03743	5.2
147.04521	100.0
148.04880	4.7
150.61397	0.5
157.03017	1.1
158.03712	1.1
159.04520	12.1
161.02477	1.0
161.04649	0.9
173.02408	0.5
175.03999	1.1
177.01883	2.6
178.02690	0.6
179.03537	4.1
179.04889	0.8
185.02522	0.6
186.03241	0.6
203.03471	1.3
224.04951	0.6
229.01379	3.6
249.05556	1.1
250.06207	0.6
251.07121	1.0
252.07872	1.2
253.05038	0.6
267.06650	3.3
269.08173	33.4
270.08389	3.1
277.05090	1.8
278.05600	0.5
279.69946	0.5
293.04599	0.8
293.17642	1.4
295.06036	3.4
311.05603	0.6
311.18570	0.6
313.07159	28.8
314.07578	2.1
339.05038	6.1
340.05536	0.8
345.06580	0.5
357.10089	0.7
417.67349	0.5
429.04602	1.1
465.77637	0.6
473.07529	1.5
473.24011	22.8
474.24500	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.0363
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28234	1.0
59.01363	3.6
59.08799	1.1
61.98825	1.6
70.00161	3.2
70.00576	1.5
71.01382	10.2
73.02972	1.4
75.00847	1.5
93.03482	1.7
95.01357	1.3
97.06721	1.1
105.03448	3.9
107.01447	1.4
108.02149	1.3
109.02937	9.5
115.00376	18.6
117.03453	1.6
119.01329	2.2
119.05025	2.1
121.02963	2.7
123.04506	2.9
124.01683	5.7
129.03442	3.6
133.01408	7.5
133.02954	7.9
134.03764	2.3
135.00880	2.4
135.02992	2.3
135.04510	12.7
137.02431	1.3
139.04042	2.0
145.02994	5.0
146.03732	2.5
147.00848	10.9
147.04518	36.8
149.02437	4.3
151.04021	1.4
159.04492	4.7
161.02415	3.5
163.04015	1.5
167.03450	6.5
167.04842	1.9
173.02373	1.1
175.00308	3.1
177.01936	15.3
178.02740	2.7
179.03491	9.6
181.05037	2.8
183.04568	1.9
185.02403	1.5
189.01949	10.7
195.04552	1.9
197.06174	1.9
201.01866	3.5
203.06960	1.3
207.04579	1.3
209.04364	1.7
209.06078	5.3
211.03973	4.0
217.01439	11.7
219.04498	1.7
221.06052	1.6
223.03975	2.0
224.04785	2.2
225.05569	2.5
227.03578	1.9
229.01259	1.6
229.04982	1.2
235.03943	3.9
237.05550	7.1
239.03423	5.8
240.04196	3.0
249.05722	1.5
251.03606	1.5
253.05069	7.1
254.05692	1.4
256.01160	1.1
256.03668	1.4
261.00323	2.2
263.03378	4.8
264.04205	2.6
265.04993	3.7
266.02216	2.6
267.02927	2.4
267.06580	2.5
269.08191	16.4
279.02817	3.9
281.04590	13.3
282.05112	1.2
293.04520	4.8
295.02893	1.6
295.06088	6.1
298.01056	2.3
307.02542	5.1
308.03247	4.1
309.03989	8.7
311.05508	5.8
312.06204	1.3
313.07141	13.8
314.07605	2.1
318.48624	1.3
325.03500	3.2
335.01984	5.6
337.03552	13.2
338.03964	1.4
339.05182	6.6
341.06442	1.3
343.04373	2.3
353.03143	7.7
355.04779	1.5
357.06039	4.3
367.04568	3.0
379.00800	3.6
385.05414	2.8
397.02020	7.4
401.05154	9.8
411.03452	3.1
412.17316	1.3
429.04605	100.0
430.04886	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	472.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01106	1.4
59.01377	17.6
61.98829	100.0
64.76067	0.9
71.01380	18.6
71.51436	1.8
73.02943	1.9
75.00871	1.2
82.45736	0.9
85.02929	2.0
89.02424	1.2
93.03423	1.4
101.02433	2.3
105.03424	1.4
109.02943	3.0
113.02484	1.0
115.00376	9.8
121.02924	4.2
133.01434	7.6
133.02953	2.9
134.03783	1.3
134.81731	1.1
135.03011	1.5
135.04536	7.0
137.02388	1.3
145.02954	2.3
147.00877	1.3
147.04535	17.5
147.06572	5.2
161.02403	2.0
161.04611	2.2
174.03293	1.2
177.01907	3.7
179.03464	4.4
189.02000	5.4
196.31433	1.1
201.07643	2.9
217.01410	1.2
218.25018	1.3
237.05602	1.6
253.04779	1.6
263.11301	2.5
264.04068	1.3
265.04916	1.5
266.05518	1.7
269.08194	6.4
270.96750	1.2
284.06180	1.0
291.02747	1.5
293.04602	2.9
293.93799	1.2
294.04904	2.4
295.05807	1.1
305.12250	4.9
309.04037	3.2
311.05646	7.4
312.05893	5.9
313.07236	8.7
335.01874	1.1
337.03586	19.7
338.03940	5.9
339.04547	1.7
357.05707	1.4
406.68558	1.1
429.04572	12.6
490.75598	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17215	1.6
59.01381	44.1
67.60060	1.4
70.52499	2.7
70.52894	3.3
71.01385	37.6
72.99295	1.5
73.02985	1.7
80.54436	1.3
83.01366	2.0
85.02954	4.6
87.00857	2.9
89.02446	48.9
90.59753	1.4
95.01392	2.7
101.02454	19.1
106.02085	1.3
113.02448	15.2
113.21979	1.5
119.03516	18.6
130.08742	50.4
131.03510	3.9
143.03496	4.3
149.04584	2.3
161.04593	6.4
179.05597	26.3
254.70735	1.4
286.25208	1.6
335.43735	1.4
341.10880	100.0
342.11115	7.1
382.36160	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3479
Annotation	CHEBI:67911
Peak:m/z	Relative Intensity
55.06794	0.5
59.01375	1.4
59.98523	1.2
61.04903	0.5
61.98834	0.6
70.85423	1.3
77.89389	0.5
97.06589	0.9
181.30872	0.5
183.89435	0.5
189.12796	1.5
191.14404	2.6
203.14359	1.4
205.15935	3.2
219.14236	1.1
219.17531	28.9
220.17937	2.1
232.14648	6.3
233.15454	9.5
235.11153	0.4
235.13358	11.2
235.17000	1.1
236.13834	0.6
237.18591	1.1
247.13419	2.3
249.14940	4.5
250.15726	29.9
251.16374	7.1
282.14722	6.3
303.23300	0.8
315.20142	0.5
393.31604	5.9
394.32196	1.0
397.34744	2.2
409.34955	6.0
410.35382	1.1
425.34256	1.6
427.35931	7.4
428.36142	1.0
441.33719	5.8
471.34821	100.0
472.35101	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	471.3482
Annotation	3alpha-Hydroxy-2-oxofriedelane-20alpha-carboxylic acid
Peak:m/z	Relative Intensity
59.01375	0.9
65.56875	0.6
71.52258	1.0
85.06557	0.9
233.15454	32.2
234.15842	2.8
235.17049	18.2
236.17450	1.2
237.18576	39.0
237.35039	0.8
238.19095	1.4
265.63962	0.7
288.34885	0.8
303.23096	0.8
321.90344	1.0
339.26956	2.1
357.28006	1.7
383.33572	0.8
409.34799	1.8
427.35809	31.6
428.36063	4.3
471.34814	100.0
472.35138	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3477
Annotation	Salaspermic acid
Peak:m/z	Relative Intensity
50.83312	0.8
70.83944	0.9
70.84295	2.0
111.26907	0.8
128.91901	0.8
179.67570	1.0
225.00575	0.9
246.43727	0.9
290.94461	0.9
393.31708	2.6
397.34769	15.1
398.35104	2.4
399.36301	25.0
400.36716	3.9
407.32800	2.1
409.34772	25.5
410.35025	3.0
427.35834	28.4
428.36145	5.0
453.33752	27.2
454.34009	3.4
471.34763	100.0
472.35117	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	471.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64253	0.1
70.82089	0.3
70.82417	0.2
81.54208	0.1
167.38655	0.2
177.86305	0.1
235.68408	0.1
273.19687	0.1
317.94806	0.2
320.12384	0.2
373.76743	0.1
393.31967	0.1
471.34784	100.0
472.35144	14.1
485.68787	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	471.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60788	0.3
69.61951	0.2
70.84212	0.5
70.84588	0.6
83.31661	0.3
83.57780	0.2
99.57545	0.3
131.27560	0.3
210.05562	0.3
307.99814	0.3
392.89047	0.3
405.07025	0.3
409.31360	0.4
423.32581	0.3
471.34793	100.0
472.35129	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01350	0.4
70.11398	0.7
83.01385	0.2
205.16241	0.3
253.21748	0.6
407.33173	0.9
425.34375	0.5
426.78104	0.2
427.32291	0.3
429.28314	0.4
458.01074	0.2
471.34796	100.0
472.35144	13.6
488.45728	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3476
Annotation	Odoratone
Peak:m/z	Relative Intensity
50.22147	0.8
56.07726	0.8
58.07014	0.8
59.01361	1.0
63.89804	0.8
69.93832	4.1
78.95916	3.3
80.96574	1.0
82.53191	0.8
97.06570	0.9
98.19931	1.1
110.98517	0.9
152.99597	2.7
164.64703	0.8
167.01163	1.6
179.44412	0.9
189.26157	0.8
217.16008	9.5
235.17046	11.0
237.18604	11.2
249.18645	5.5
281.91855	0.9
303.23315	3.0
409.23581	1.7
409.35394	1.2
471.34921	100.0
472.35324	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	471.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44776	0.6
55.32400	0.4
57.03453	0.6
59.01381	100.0
60.01706	0.6
61.98836	1.2
64.99606	0.4
68.30279	0.5
69.03484	1.1
69.20408	4.9
71.01383	12.2
72.99325	0.9
73.02944	4.6
79.33971	0.5
83.01401	1.7
85.02962	3.2
87.00867	1.0
89.02444	5.4
95.01417	1.1
97.02962	0.8
98.19897	0.8
99.00888	0.7
101.02439	6.5
113.02454	7.3
119.03529	2.1
124.01688	1.8
125.02475	1.3
125.09834	0.6
135.04544	0.8
137.02524	0.6
143.03494	0.8
149.04707	0.4
157.08643	0.6
161.04602	1.9
174.03258	1.0
175.04005	1.4
177.01994	1.0
178.02623	0.6
179.03586	1.4
179.05617	1.0
192.77028	0.5
219.02960	1.0
228.06772	0.5
231.03221	0.6
266.21707	0.5
266.45462	0.5
267.19562	0.5
268.96274	0.7
285.20740	5.3
291.19672	0.7
313.12204	0.5
411.24042	2.0
420.71741	0.5
427.13904	0.7
429.25018	8.8
430.25378	1.0
430.81650	0.5
471.13107	0.9
471.26428	8.5
472.26831	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.0
59.12687	0.6
63.66770	0.6
70.53031	2.0
78.95898	10.9
83.05038	0.7
103.83195	0.5
110.98533	8.3
167.01158	4.0
185.02193	6.9
191.65875	0.7
205.19536	1.9
259.24268	6.1
260.24677	0.6
303.23273	100.0
304.23578	9.1
456.46237	0.6
471.25089	6.6
471.34915	1.3
472.25479	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	4.3
66.38496	0.7
68.74651	0.6
69.55883	5.2
71.01380	0.9
73.02953	0.8
78.95904	30.6
83.04990	0.8
90.65746	0.8
94.99023	0.9
104.97476	0.9
110.98523	20.4
118.87865	0.7
137.00104	0.9
158.09309	0.8
167.01158	25.1
185.02243	6.5
205.19580	1.4
259.24304	7.2
284.82089	0.8
303.23282	100.0
304.23627	8.3
444.95090	0.8
471.25107	20.8
471.31549	1.3
471.35184	1.2
472.25378	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44776	0.6
55.32400	0.4
57.03453	0.6
59.01381	100.0
60.01706	0.6
61.98836	1.2
64.99606	0.4
68.30279	0.5
69.03484	1.1
69.20408	4.9
71.01383	12.2
72.99325	0.9
73.02944	4.6
79.33971	0.5
83.01401	1.7
85.02962	3.2
87.00867	1.0
89.02444	5.4
95.01417	1.1
97.02962	0.8
98.19897	0.8
99.00888	0.7
101.02439	6.5
113.02454	7.3
119.03529	2.1
124.01688	1.8
125.02475	1.3
125.09834	0.6
135.04544	0.8
137.02524	0.6
143.03494	0.8
149.04707	0.4
157.08643	0.6
161.04602	1.9
174.03258	1.0
175.04005	1.4
177.01994	1.0
178.02623	0.6
179.03586	1.4
179.05617	1.0
192.77028	0.5
219.02960	1.0
228.06772	0.5
231.03221	0.6
266.21707	0.5
266.45462	0.5
267.19562	0.5
268.96274	0.7
285.20740	5.3
291.19672	0.7
313.12204	0.5
411.24042	2.0
420.71741	0.5
427.13904	0.7
429.25018	8.8
430.25378	1.0
430.81650	0.5
471.13107	0.9
471.26428	8.5
472.26831	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.5
59.01381	100.0
59.16685	0.3
60.01709	0.9
71.01383	4.7
71.52047	0.4
73.02953	2.9
83.01394	1.2
85.02953	1.1
85.98186	0.3
89.02464	0.9
90.66035	0.4
95.01396	0.6
96.04601	0.4
97.02947	0.4
97.28979	0.4
101.02438	3.6
103.07441	0.4
111.04486	0.4
113.02486	1.7
115.00414	0.4
119.03509	0.4
121.02972	0.7
124.26807	0.3
125.02456	0.7
131.03488	0.7
135.04559	1.1
143.10811	0.6
148.04031	0.7
149.04594	0.8
150.05630	1.1
151.04039	0.5
151.06076	0.4
161.04599	1.0
173.03563	0.5
175.04774	0.4
177.02065	0.4
179.03505	0.9
179.10844	1.3
183.07733	0.5
187.46501	0.4
191.08006	0.5
227.06740	1.7
233.09140	0.4
245.08334	0.4
253.91867	0.4
267.06625	0.4
267.16010	0.6
309.17322	0.5
341.13440	0.6
385.25922	0.7
399.17767	1.1
429.25186	0.8
445.05499	0.4
471.19376	1.5
471.26215	2.0
493.45377	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.2
59.01380	100.0
60.01706	0.9
69.03489	0.3
70.98318	0.5
70.98645	0.5
71.01387	4.4
73.02962	1.0
83.01399	0.5
85.02953	0.9
89.02445	1.1
97.06652	0.4
98.05927	0.3
101.02460	1.8
107.12457	0.4
113.02442	0.9
117.03498	0.4
133.01436	0.5
135.04538	0.9
161.04620	0.6
174.03195	0.7
181.05070	0.6
192.11542	0.5
199.07706	1.1
203.05641	1.7
205.70000	0.4
207.13902	5.6
245.08080	2.1
411.20374	0.6
427.14151	0.6
429.21167	0.6
471.22263	2.3
472.22937	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75674	0.6
59.01379	100.0
60.01705	1.5
61.98833	2.7
69.36577	2.8
69.37007	2.6
71.01383	7.2
73.02945	4.0
83.01396	1.2
83.42503	0.7
85.02977	2.1
89.02459	2.8
95.01427	0.6
95.05167	0.6
98.19843	1.1
101.02445	4.1
109.02970	0.6
110.77882	0.6
113.02419	3.1
119.03522	0.7
133.01476	1.0
133.02994	0.8
135.04543	2.5
137.02469	1.5
137.06079	1.2
145.03027	1.3
146.03699	0.7
157.03033	0.7
159.04532	0.8
161.04649	1.0
174.03249	2.9
175.03929	1.0
177.01903	1.5
179.03490	1.1
179.10759	3.3
181.05121	2.5
187.03970	0.8
192.04311	0.8
199.07645	3.0
201.05615	1.6
203.10851	1.0
216.33176	0.8
217.08684	0.9
218.02380	0.8
219.03011	0.8
231.02914	0.9
245.08145	7.0
249.14816	0.7
261.97528	0.7
267.06558	0.8
309.17233	1.7
311.05664	0.9
314.10156	0.7
338.97958	0.7
355.81500	0.7
409.13235	1.1
427.14056	1.9
471.12955	2.0
471.21872	3.7
471.34845	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30895	0.5
57.03433	0.9
59.01381	100.0
60.01717	0.7
64.10059	0.4
69.25807	4.7
71.01376	6.3
73.02952	12.0
80.84071	0.5
83.01380	3.4
85.02926	0.7
87.00896	0.7
89.02457	1.6
97.79745	0.5
98.20622	1.0
101.02450	8.0
113.02473	2.0
119.03470	1.0
123.08181	1.1
131.03548	0.8
135.04575	0.7
143.03513	1.0
161.04565	1.7
161.05743	0.6
168.02664	0.6
179.48549	0.5
205.16048	0.7
207.13934	2.3
219.13879	0.9
221.15562	0.7
249.15056	2.2
265.18051	12.4
266.18600	0.8
309.17029	4.6
444.23300	0.7
471.21970	0.7
474.36990	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
57.90514	0.6
59.01380	100.0
60.01708	1.0
60.79737	0.6
61.98827	0.8
69.11380	0.5
69.86030	2.5
71.01383	7.0
71.05039	3.1
72.99323	0.8
73.02950	2.0
82.92307	0.6
83.01384	1.1
83.03481	0.5
85.02976	2.5
89.02441	2.8
95.01366	0.8
97.06606	1.2
98.91554	0.6
101.02457	5.9
113.02453	3.0
115.00403	0.7
118.98055	0.6
119.03543	1.6
127.51628	0.5
135.04544	0.8
137.09723	3.1
139.70081	0.5
161.04539	0.8
171.10268	5.9
185.11807	0.7
228.80988	0.5
262.93500	0.6
287.83801	0.7
291.19684	5.3
295.24689	0.6
302.31662	0.5
309.20639	4.1
425.88657	0.5
471.25958	29.0
472.26303	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	471.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02970	9.7
59.01380	39.0
71.01367	5.4
71.03549	2.5
73.02911	2.2
74.02467	13.6
82.02969	2.8
83.01385	2.7
83.05036	1.6
85.02965	1.3
86.06129	1.3
87.05632	1.7
89.02438	2.1
91.42551	1.6
96.00892	1.7
96.04560	10.8
96.96960	2.7
97.04089	9.5
98.02493	6.9
98.06042	1.4
99.04539	8.2
99.05635	20.0
100.00387	4.7
101.02414	4.8
108.04566	10.4
109.02914	1.5
109.04073	2.6
110.02466	3.8
111.03233	1.6
112.04052	13.9
112.07687	13.2
113.02428	3.1
113.03564	8.8
116.01749	1.5
122.06103	5.6
124.04033	11.6
124.17511	1.3
125.03517	3.3
125.04834	8.2
126.05616	3.9
127.05120	13.4
130.08704	1.5
135.04526	3.4
135.11801	2.2
137.02461	1.4
137.07196	6.5
139.08711	2.1
140.07182	19.1
143.04544	4.1
148.03999	2.2
150.05603	2.0
152.03476	4.3
155.07050	2.3
155.08263	31.0
165.06670	21.9
166.04976	1.7
179.03522	1.9
181.06221	2.6
183.06100	2.7
183.07738	48.6
209.05602	6.0
209.11729	2.5
225.05098	3.3
227.06720	100.0
228.06902	3.8
243.10648	7.4
346.18219	1.3
399.17197	3.2
400.22147	1.5
471.17899	70.9
472.17926	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	471.1805
Annotation	Paleatin A
Peak:m/z	Relative Intensity
58.02976	9.4
59.01379	10.2
61.36271	0.9
69.03441	0.9
69.22944	7.1
69.23348	1.8
70.02953	1.0
71.01367	2.6
73.02917	1.3
74.02477	13.8
80.05050	1.9
82.02958	3.2
83.01369	3.7
83.05004	1.2
85.02955	1.1
85.04104	1.5
86.02498	1.4
87.05611	1.5
96.00922	1.1
96.04549	10.6
97.04079	10.4
98.02481	4.4
99.05639	15.3
100.00385	4.1
101.02415	3.9
108.04536	8.6
109.04062	3.5
110.02461	4.2
110.06103	2.5
112.04047	10.1
112.07688	11.7
113.02481	1.0
113.02787	0.9
113.03561	7.6
115.05135	1.1
116.01740	1.0
122.06156	4.7
124.04032	9.9
125.02653	0.7
125.03571	4.8
125.04838	5.7
126.04272	2.3
126.05576	4.0
127.05129	12.3
135.04565	1.0
135.05664	0.9
135.11748	3.7
137.07190	6.1
138.05626	2.3
139.08794	1.4
140.07170	18.1
141.07545	1.4
143.04602	4.6
150.04317	1.4
152.03529	5.6
155.07040	1.7
155.08272	28.7
165.06683	24.0
166.05040	2.5
168.74414	1.0
181.06187	1.0
183.07738	47.0
184.07990	1.2
200.30910	1.0
209.05684	6.4
209.11781	3.5
225.05101	3.5
227.06720	100.0
228.06984	4.2
243.10643	5.0
244.11026	1.0
277.94193	0.9
471.17911	66.9
472.18301	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	471.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01109	5.0
59.01381	55.2
59.56025	3.0
64.46907	2.9
69.03457	3.9
69.54795	18.7
71.01379	10.0
73.02943	12.4
83.01404	3.1
89.64780	3.2
98.93142	3.0
101.02419	6.8
113.02362	3.7
116.07195	3.8
135.04568	3.7
135.11775	7.2
136.80971	3.2
161.04651	3.8
161.09662	12.0
174.85236	3.6
179.10774	100.0
180.11235	4.9
203.10641	4.0
219.02998	3.9
223.09721	16.7
239.52417	3.4
252.14497	3.3
366.94672	3.3
429.24875	4.6
442.18521	5.1
448.09003	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	471.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03626	4.9
59.01381	100.0
63.71688	6.0
70.47839	13.1
70.82269	5.7
71.01379	14.9
73.02943	24.3
101.02390	9.9
101.96413	5.4
102.50624	5.8
118.97007	6.8
128.19299	6.1
137.99646	6.1
161.09769	16.3
179.10760	95.9
180.11061	7.1
185.06174	5.6
193.13216	6.1
355.49658	7.4
413.70660	7.5
478.98740	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	471.0569
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89526	0.6
51.30127	0.6
53.10485	0.6
59.01379	7.4
60.67645	0.7
61.98816	2.0
64.02569	0.6
69.98795	0.6
70.97586	1.3
71.01383	23.2
72.99311	4.3
73.02943	0.9
74.96071	0.6
80.79734	0.7
82.40553	0.6
85.02982	1.0
87.00879	0.7
89.02418	3.6
89.32977	0.6
91.10346	0.6
91.10930	0.6
96.95998	1.2
98.77592	0.7
101.02399	1.0
104.02686	13.1
109.06539	0.6
115.00373	57.3
116.00659	1.0
118.06686	0.7
119.05027	2.8
120.02206	1.2
121.02987	1.0
126.83981	0.7
133.01430	100.0
133.03018	4.1
134.01752	1.7
135.04524	7.6
136.04863	0.9
137.02472	1.0
138.38100	0.6
145.02962	1.4
147.04521	1.4
148.01663	13.0
148.04050	0.7
161.02443	20.6
161.04573	1.2
162.02756	0.8
162.05522	1.4
176.01144	74.3
177.01921	80.4
178.02357	3.0
179.03534	1.0
181.05090	1.4
184.06773	0.6
187.07573	0.6
187.29971	0.7
187.99402	0.9
190.05066	1.3
211.81476	0.7
231.10329	1.3
246.11322	1.7
259.97794	1.5
267.06726	1.2
310.10785	1.5
311.05576	10.6
311.09100	0.9
329.11554	1.2
337.03503	12.3
338.04031	0.8
355.04767	0.7
427.13992	0.7
472.16101	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92102	0.8
59.01376	13.1
61.98818	3.1
66.93139	0.8
70.47034	3.5
71.01376	24.9
72.99310	5.0
85.02954	1.5
89.02442	4.8
96.95981	1.6
101.02433	2.7
104.02676	13.6
105.03460	1.5
109.02935	1.1
113.02407	1.4
114.84469	0.8
115.00370	52.9
117.55505	0.9
121.02935	2.2
123.04518	1.7
133.01431	100.0
133.02834	4.4
134.01805	2.2
134.03734	1.0
135.04521	9.5
137.02451	1.8
137.06104	1.3
148.01657	16.0
150.04179	8.8
159.04605	1.3
161.02438	19.7
161.04469	1.3
162.02750	2.0
176.01149	81.1
177.01927	75.8
178.02254	3.3
179.03474	2.0
181.05057	3.0
189.04283	2.4
190.04651	1.9
192.54848	0.8
215.06944	1.0
231.10204	1.9
233.03218	1.5
237.42575	0.9
246.11287	1.9
282.08350	3.9
284.09875	1.0
311.05560	12.8
337.03503	11.2
338.03790	1.2
343.05270	1.0
390.00970	0.9
408.06274	1.1
427.13898	1.9
453.13788	2.9
471.34335	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.0569
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89526	0.6
51.30127	0.6
53.10485	0.6
59.01379	7.4
60.67645	0.7
61.98816	2.0
64.02569	0.6
69.98795	0.6
70.97586	1.3
71.01383	23.2
72.99311	4.3
73.02943	0.9
74.96071	0.6
80.79734	0.7
82.40553	0.6
85.02982	1.0
87.00879	0.7
89.02418	3.6
89.32977	0.6
91.10346	0.6
91.10930	0.6
96.95998	1.2
98.77592	0.7
101.02399	1.0
104.02686	13.1
109.06539	0.6
115.00373	57.3
116.00659	1.0
118.06686	0.7
119.05027	2.8
120.02206	1.2
121.02987	1.0
126.83981	0.7
133.01430	100.0
133.03018	4.1
134.01752	1.7
135.04524	7.6
136.04863	0.9
137.02472	1.0
138.38100	0.6
145.02962	1.4
147.04521	1.4
148.01663	13.0
148.04050	0.7
161.02443	20.6
161.04573	1.2
162.02756	0.8
162.05522	1.4
176.01144	74.3
177.01921	80.4
178.02357	3.0
179.03534	1.0
181.05090	1.4
184.06773	0.6
187.07573	0.6
187.29971	0.7
187.99402	0.9
190.05066	1.3
211.81476	0.7
231.10329	1.3
246.11322	1.7
259.97794	1.5
267.06726	1.2
310.10785	1.5
311.05576	10.6
311.09100	0.9
329.11554	1.2
337.03503	12.3
338.04031	0.8
355.04767	0.7
427.13992	0.7
472.16101	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03004	1.0
69.54188	4.2
69.54592	2.2
69.62019	1.0
71.01379	6.9
84.71561	1.0
89.03962	1.3
91.01946	1.1
93.03445	3.9
109.02930	2.4
115.00377	14.0
117.03438	2.4
118.00232	1.0
121.02967	20.2
133.01439	18.0
149.02400	1.2
161.02466	12.6
165.07053	1.3
176.01123	1.2
177.01907	6.2
189.01935	27.6
191.03365	1.1
195.23422	1.0
201.01929	2.9
206.67496	1.0
209.06093	3.8
221.05946	2.0
225.05530	1.4
235.04039	1.8
236.04646	1.3
237.05511	6.8
239.01228	1.0
239.07053	2.3
241.05038	1.1
247.03831	1.1
248.04665	1.3
248.64278	0.9
249.05737	1.4
251.03574	1.0
252.04517	1.4
253.04970	2.4
263.03473	5.2
264.04208	3.1
265.05090	9.7
267.02780	1.3
271.06299	1.2
281.04587	5.6
283.06113	2.2
290.95374	1.0
291.03015	5.3
292.03690	2.7
293.04556	15.8
308.03265	1.6
309.04037	16.0
311.05594	81.7
312.05890	6.7
319.02298	1.3
337.03528	100.0
338.03815	7.0
355.04623	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	470.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40871	2.6
53.83523	2.4
55.15568	2.8
57.97546	7.3
59.01378	61.9
61.98824	6.5
65.48773	2.3
70.28551	9.6
71.01380	64.7
73.02925	15.9
82.08878	2.1
83.01370	4.5
83.06151	31.8
85.02950	19.0
89.02454	29.2
92.05056	4.5
95.01415	3.5
97.02945	2.8
99.00886	6.3
101.02437	33.9
113.02458	23.8
119.03472	12.2
133.02983	3.3
135.04543	12.1
148.04054	36.1
161.04539	22.8
193.96567	2.8
209.61896	2.6
317.17175	100.0
318.17410	8.1
351.15939	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.9
69.79391	5.4
71.01379	8.8
72.99319	1.1
89.03942	1.7
93.03449	2.6
109.02950	1.6
115.00377	18.4
117.03450	2.6
121.02959	17.7
133.00450	1.9
133.01428	25.2
133.02933	2.0
134.70467	1.1
135.04462	2.1
161.02438	11.9
173.02579	1.2
174.03201	1.2
176.01184	1.6
177.01929	9.4
185.06151	1.1
189.00322	1.7
189.01932	22.9
201.01979	3.0
202.02600	1.2
209.06024	3.1
221.05984	1.4
226.20186	1.2
235.04002	2.6
237.05550	7.5
241.05032	1.7
249.05588	1.3
253.05023	3.5
263.03409	3.5
264.04218	2.3
265.04996	8.8
267.03204	1.5
267.06320	1.3
277.10806	1.9
279.03000	1.3
281.04456	6.0
291.02878	3.7
292.03735	2.2
293.04422	8.2
294.04822	1.6
295.02411	1.1
308.03427	1.5
309.04047	13.7
310.04303	1.3
311.05609	70.6
312.05994	6.7
319.02554	2.6
337.03537	100.0
338.03873	10.1
355.04541	5.9
428.16873	1.0
471.05920	2.3
471.16138	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01105	0.5
59.01378	3.4
61.98844	1.1
63.23058	0.5
69.49454	0.9
69.49861	2.5
71.01386	1.3
72.12540	0.7
73.02937	0.6
75.94277	0.4
78.58466	0.6
82.02988	2.2
85.62604	0.4
88.19051	0.5
96.95992	1.0
98.19852	0.7
99.92585	0.6
106.06649	0.9
108.04543	0.5
115.00332	1.3
115.92073	1.1
116.92860	1.9
117.92886	1.6
122.06126	1.4
124.04129	0.4
125.02414	0.7
132.04573	4.9
133.01440	2.0
133.05371	1.1
134.06116	9.9
135.04494	0.6
136.04062	0.9
138.05609	0.6
140.07167	0.7
148.04071	0.6
149.04807	0.7
160.04030	7.7
161.00937	0.5
161.02425	1.7
161.04816	14.7
162.05603	28.8
163.06000	1.2
175.03873	0.6
176.03491	1.7
177.01866	1.1
179.03401	0.5
186.05444	0.7
188.03426	0.7
189.04274	1.7
190.05020	0.8
193.02074	1.1
193.03790	20.6
194.04420	0.6
195.05237	0.6
212.07216	1.2
214.08662	1.1
226.08730	0.7
233.03252	1.5
241.06241	1.6
241.09650	0.6
242.12009	1.2
243.07690	1.4
243.11374	2.2
256.06146	0.8
257.09369	4.5
258.10025	0.7
268.09601	1.0
269.09314	3.2
269.12488	1.0
271.10846	1.4
285.12451	24.9
286.12741	2.1
310.07275	1.1
311.05560	0.6
311.10358	3.7
316.10565	1.1
329.11401	100.0
330.11746	8.5
337.03561	0.7
354.11072	0.5
386.43185	0.6
387.98975	0.6
390.17703	0.6
408.19342	0.8
452.13135	1.2
452.18491	1.7
453.09607	0.5
470.18948	3.6
470.24811	0.6
471.10352	2.5
471.20197	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3322
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
51.07220	0.4
59.01376	1.2
78.95882	0.5
86.51952	0.4
92.38360	0.4
95.68961	0.4
135.04485	0.5
229.04182	0.6
469.33234	100.0
470.33633	12.6
486.26685	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3324
Annotation	Lantic acid
Peak:m/z	Relative Intensity
54.29160	0.7
56.55287	0.6
59.01370	0.7
66.13284	0.7
78.95927	0.7
84.02897	0.6
92.77460	0.6
96.44702	0.7
98.19845	1.3
144.05827	7.1
146.07393	1.3
148.15672	0.8
187.11282	11.4
188.11685	1.0
189.12827	14.1
205.08702	1.7
205.15962	100.0
206.16275	5.2
214.44644	0.7
248.14053	3.6
249.14941	16.1
250.15343	1.1
255.23204	1.9
377.25006	1.0
383.32568	0.7
393.28192	0.9
394.28720	4.8
407.33142	6.4
409.31067	12.2
425.34259	46.2
426.34454	5.0
469.33484	12.8
470.33920	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43533	0.3
58.00599	0.3
59.01380	100.0
60.01717	0.6
60.45148	0.2
61.98818	0.3
69.03455	0.4
70.27927	0.7
71.01382	7.0
72.99319	0.3
73.02947	7.0
83.01372	1.7
85.02976	0.9
89.02437	3.1
95.01405	0.5
101.02440	5.3
113.02445	3.6
119.03494	1.3
131.03539	0.4
143.03503	0.7
149.04564	0.3
161.04622	0.8
288.22430	0.3
409.26257	0.6
426.13708	0.3
427.27075	0.8
454.84720	0.3
469.33688	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
71.51553	1.7
91.03995	2.1
113.48647	1.9
125.02487	2.7
135.04532	2.9
153.09247	2.8
153.12868	2.7
169.01497	2.8
195.10222	3.0
317.21124	6.2
320.60361	2.5
335.22153	6.3
433.26019	6.0
469.33713	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	469.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01708	0.9
61.98838	0.6
69.28709	3.3
71.01379	2.3
73.02956	1.0
82.45184	0.4
85.02978	0.9
89.02478	0.9
95.01410	0.5
99.86086	0.4
101.02459	1.4
113.02469	1.4
119.03429	0.5
135.04539	0.8
187.16727	0.4
193.08392	0.4
247.17137	0.5
265.17883	0.5
373.73187	0.4
382.95126	0.4
383.23035	0.4
409.22424	0.8
426.04657	0.5
427.23660	0.9
469.24118	0.8
469.34177	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3321
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
60.57557	0.5
65.89469	0.5
69.31448	1.9
69.31872	2.8
85.06602	0.8
93.70515	0.6
98.91653	0.6
100.58971	0.5
137.05385	0.5
230.60309	0.5
233.15456	4.8
235.17047	1.3
237.18538	3.6
238.18692	0.7
400.67877	0.7
407.33112	2.0
409.30978	2.7
425.34167	8.7
426.34525	0.8
469.33203	100.0
470.33597	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	2.2
55.95322	0.7
57.01645	0.7
58.00588	1.6
59.01381	100.0
60.01715	1.4
61.98821	2.2
69.03442	1.8
69.30981	6.3
71.01384	51.3
71.05022	2.2
72.01729	0.9
72.99316	1.8
73.02946	66.9
74.03291	1.6
75.00858	0.9
81.03441	1.0
83.01389	20.9
85.02954	7.4
87.00875	3.2
89.02453	12.0
95.01377	2.2
96.97062	0.7
97.02971	1.4
99.00864	1.6
101.02442	54.3
109.02950	1.1
111.00896	0.8
113.01715	1.2
113.02441	12.8
115.28278	0.9
119.03485	3.6
124.77179	0.7
125.02429	2.9
125.94923	0.6
131.03491	3.4
133.01448	0.7
134.03723	2.6
135.04518	1.0
136.01691	1.1
137.39801	0.8
139.04001	2.3
143.03484	5.5
149.04552	2.9
149.13400	1.5
152.06453	0.9
153.08383	0.7
155.03516	1.7
156.68996	0.7
161.04523	8.8
203.05449	1.2
203.18001	3.5
207.14279	0.7
221.06705	1.0
247.17018	37.0
248.17427	1.7
249.18645	1.0
256.12869	0.7
263.21799	0.7
265.18030	6.6
273.14743	1.4
353.16211	1.1
409.22256	3.8
427.23309	10.4
428.23917	0.8
451.27130	1.4
469.24304	61.1
469.32803	2.8
470.19693	0.7
470.24796	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45178	0.3
57.25017	0.2
59.01379	100.0
60.01704	0.8
61.98828	0.9
69.19555	0.6
69.19956	2.2
71.01379	1.9
71.13416	0.3
73.02944	1.1
81.27242	0.3
83.01393	0.6
85.02957	0.5
97.02975	0.3
98.19847	0.5
99.00877	0.3
101.02461	0.8
113.02449	0.9
131.16769	0.3
134.03706	0.4
135.04570	0.5
143.03503	0.3
150.05594	0.7
161.04588	1.0
178.02725	0.3
265.10117	0.4
273.14920	0.3
317.47418	0.3
324.94226	0.3
469.24051	0.4
469.33466	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	7.3
71.07913	1.6
71.51814	2.1
78.95910	17.2
93.28806	2.0
99.61697	1.5
110.98512	13.1
116.18321	1.5
126.13354	1.4
127.41399	1.8
135.11787	1.4
152.99576	2.0
167.01173	4.2
169.76253	1.8
185.02177	12.0
203.18019	2.1
257.22714	19.4
258.23151	2.9
301.21707	100.0
302.22125	8.2
311.16794	3.1
357.02097	1.8
389.21576	1.5
423.71088	1.6
469.23816	6.8
469.33542	19.3
470.33597	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	469.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.6
57.03439	1.8
57.36844	0.8
58.00591	1.0
58.89859	0.6
58.97946	0.8
59.01381	73.0
60.92776	0.7
61.98818	1.7
65.68102	0.6
69.03464	1.6
71.01384	37.3
72.77978	0.6
72.99313	1.9
73.02947	41.9
75.00876	0.7
83.01390	13.0
83.05031	0.9
84.36365	0.7
85.02954	7.1
87.00867	3.0
87.84336	0.7
89.02445	7.5
95.01362	2.3
95.05003	0.9
97.02949	1.8
98.20754	1.3
99.00871	2.4
101.02441	36.0
109.02962	1.8
111.08160	1.6
113.02459	10.2
119.03493	2.9
121.03004	0.8
125.02438	1.5
131.03470	1.6
134.03714	2.4
135.04486	2.0
139.04053	1.1
143.03516	1.8
149.04536	1.3
149.13292	1.5
151.11324	1.5
161.02361	0.9
161.04588	4.7
167.10742	0.9
169.76813	0.8
195.10248	0.8
198.63828	0.7
203.17998	2.3
211.11075	0.7
221.19041	1.3
230.11137	0.7
243.10211	1.3
247.17003	17.2
249.18568	3.9
265.18073	30.8
266.18338	2.4
323.15967	0.8
329.22910	0.9
342.87939	0.8
395.24295	1.0
409.22287	11.9
427.23343	19.9
428.23599	2.2
469.24365	100.0
470.18179	0.6
470.24719	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	467.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00606	0.7
58.38153	0.4
59.01379	100.0
60.01715	0.8
61.98840	0.5
67.63259	0.4
69.28310	0.6
69.28716	2.4
70.40393	0.4
71.01379	9.8
72.99317	0.4
73.02947	6.9
82.31007	0.4
83.01392	2.5
84.68862	0.3
85.02959	1.9
85.47157	0.3
88.10688	0.4
89.02457	6.4
89.03011	0.4
95.01359	0.7
95.97907	0.4
99.00826	0.4
101.02447	7.3
113.02448	4.6
117.01906	0.4
119.03513	2.7
123.04544	1.1
125.81301	0.4
131.03520	0.6
131.60811	0.4
134.03773	1.0
135.04558	0.7
143.03529	0.9
149.02457	0.6
149.04645	0.6
150.05577	2.7
159.04352	0.4
161.04646	1.2
173.06148	0.4
175.04152	0.5
176.03528	0.6
179.05724	0.6
189.09296	0.6
202.06367	0.8
231.10295	3.5
232.10680	0.4
280.70093	0.4
326.10684	0.8
407.24500	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00606	0.7
58.38153	0.4
59.01379	100.0
60.01715	0.8
61.98840	0.5
67.63259	0.4
69.28310	0.6
69.28716	2.4
70.40393	0.4
71.01379	9.8
72.99317	0.4
73.02947	6.9
82.31007	0.4
83.01392	2.5
84.68862	0.3
85.02959	1.9
85.47157	0.3
88.10688	0.4
89.02457	6.4
89.03011	0.4
95.01359	0.7
95.97907	0.4
99.00826	0.4
101.02447	7.3
113.02448	4.6
117.01906	0.4
119.03513	2.7
123.04544	1.1
125.81301	0.4
131.03520	0.6
131.60811	0.4
134.03773	1.0
135.04558	0.7
143.03529	0.9
149.02457	0.6
149.04645	0.6
150.05577	2.7
159.04352	0.4
161.04646	1.2
173.06148	0.4
175.04152	0.5
176.03528	0.6
179.05724	0.6
189.09296	0.6
202.06367	0.8
231.10295	3.5
232.10680	0.4
280.70093	0.4
326.10684	0.8
407.24500	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.7
57.03441	1.1
58.00613	0.5
59.01380	100.0
60.01707	1.1
61.98829	3.2
71.01385	10.3
71.52120	1.0
72.01745	0.7
73.02949	3.2
75.00876	0.7
83.01408	3.4
85.02946	5.0
85.06590	2.5
86.03292	1.1
86.06947	0.7
89.02448	3.6
95.01384	1.4
97.06573	0.9
97.73527	0.7
99.00899	0.6
101.02435	6.7
113.02453	7.4
114.02813	1.8
115.02906	0.6
119.03558	0.8
121.02985	1.6
122.03728	1.0
123.04559	2.5
125.09768	0.7
133.01505	0.7
133.02988	1.5
134.03735	3.3
134.96938	0.6
135.04558	3.0
137.02415	1.1
147.04527	1.2
148.04041	0.8
149.02498	0.8
149.04900	1.5
149.06090	1.9
150.05614	7.2
159.04546	1.8
161.02484	1.3
161.04613	2.0
161.05956	0.8
173.06070	1.8
174.06844	1.5
175.04004	1.0
175.07703	1.2
176.03554	1.4
178.02727	1.2
187.04008	0.9
187.07681	3.6
189.09203	3.9
199.07503	0.7
201.05661	0.9
202.06371	4.7
203.07130	1.8
203.10875	1.8
205.12387	1.0
213.09273	0.8
213.96143	0.6
215.10681	1.2
217.08716	1.2
231.10252	22.2
232.10788	2.2
239.07320	0.8
245.99756	0.7
275.09344	1.6
276.09985	0.9
278.21878	1.1
279.22443	1.3
307.11829	0.7
326.10364	3.4
355.72763	0.6
373.16885	1.7
375.21866	0.6
405.19427	1.3
449.25339	1.5
467.09430	0.8
467.29358	9.1
468.17142	1.1
468.30109	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.6
57.03442	1.3
59.01379	43.0
69.89678	2.7
71.01380	9.2
72.99300	0.7
73.02959	4.2
83.01369	2.4
85.02956	6.1
86.00095	0.8
87.00869	1.0
89.02431	1.5
96.96004	0.9
99.00846	1.1
101.02434	9.3
111.00860	1.2
113.02446	2.9
113.09692	0.7
143.10783	0.7
159.02945	0.9
161.04515	1.1
174.58675	0.5
243.19687	1.0
285.20682	1.3
301.20093	0.7
303.21771	6.7
304.21997	0.8
405.25012	3.5
447.25894	4.7
465.26996	100.0
466.27393	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	466.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08963	0.6
59.01380	24.9
60.20121	0.8
61.98830	100.0
70.97657	1.6
71.01389	6.9
72.01724	0.8
73.02943	12.4
83.01382	4.1
85.02965	1.7
89.02450	1.2
101.02457	6.1
113.02454	3.8
125.02467	1.3
135.04503	0.7
143.03510	1.9
149.42200	0.7
155.10783	15.2
162.43452	0.7
169.12401	3.3
176.85266	0.6
179.10785	1.5
193.36374	0.7
197.11792	4.0
198.85056	0.6
203.05710	0.9
228.48239	0.7
231.10139	1.3
292.67499	0.7
473.43015	0.8
487.18259	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83353	0.3
59.01378	100.0
60.01700	0.8
61.98838	0.8
61.99189	0.4
62.92993	0.4
66.93151	0.4
69.28864	3.7
71.01379	3.1
73.02969	1.3
81.24745	0.3
83.01395	0.9
85.02945	1.2
88.98809	1.4
89.02453	2.1
95.01414	0.5
101.02467	1.3
113.02479	1.6
130.08737	3.4
135.02985	1.1
135.04523	0.6
135.23441	0.4
146.38663	0.4
150.05646	0.4
160.03946	0.4
161.04750	0.4
173.06142	0.6
174.04384	0.7
175.06348	0.7
187.07739	0.8
189.09308	1.1
190.07503	1.4
191.18462	0.4
201.46948	0.4
202.06410	1.2
203.07219	0.6
215.24390	0.4
227.09467	0.6
231.10237	5.4
231.12076	0.4
232.08571	1.9
244.08466	0.5
286.09662	1.3
337.10962	0.6
405.19370	0.6
436.17947	0.5
453.17773	0.6
467.30338	1.9
468.20282	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	465.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.2
57.03447	0.5
58.00587	0.6
59.01379	18.2
59.76365	0.4
63.02016	0.4
64.98712	0.5
69.76302	1.7
69.76722	0.9
71.01382	8.6
72.99286	0.6
73.02947	2.2
83.01380	2.3
85.02945	4.6
87.00869	1.5
89.02438	1.3
95.01349	0.7
97.02949	0.5
98.19887	0.5
99.00867	0.6
99.08175	0.5
101.02447	5.9
111.00869	0.9
113.02440	2.1
124.01616	0.5
125.02460	0.5
127.11296	1.1
133.17569	0.4
171.10225	1.0
203.04535	0.5
242.08180	1.2
249.91208	0.4
267.19553	0.6
285.20697	4.1
301.20163	1.2
303.13605	1.1
303.21747	19.3
304.22009	1.4
345.22949	0.8
405.24973	0.7
447.26062	4.6
448.26443	0.6
465.26987	100.0
466.27350	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.2
57.08090	1.0
57.41912	1.0
59.01379	100.0
71.01393	11.0
71.51807	1.6
73.02962	1.0
75.00879	1.1
79.95735	1.2
84.81499	1.0
85.02943	1.7
89.02440	13.9
96.96004	6.0
97.02952	1.2
101.02444	6.5
113.02435	3.2
115.00384	1.1
119.03510	4.9
125.02435	2.0
133.01434	2.4
135.04552	4.9
143.03481	1.5
149.04503	1.3
149.09689	1.5
161.04524	3.7
167.10773	3.2
179.03502	4.1
179.05580	4.3
259.06076	1.0
260.96063	1.1
303.05023	2.8
304.97687	1.2
339.38605	1.1
344.09674	3.2
405.21335	7.0
447.15363	3.2
465.16339	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	465.249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88983	0.7
53.42434	0.8
54.37291	0.7
54.95354	0.7
58.00608	1.2
59.01380	100.0
59.05645	0.8
59.66060	0.7
60.01713	1.2
60.04480	0.7
61.98849	1.8
69.03469	1.0
71.01382	33.9
72.99323	2.1
73.02949	26.5
78.95895	6.1
83.01392	8.7
85.02959	7.6
87.00890	3.0
88.94451	0.8
89.02448	11.4
95.01406	2.0
98.20660	1.7
99.00874	1.1
101.02444	23.4
113.02452	13.6
113.03168	1.4
115.00450	0.9
115.42936	0.8
119.02770	0.9
119.03541	3.1
125.02456	1.1
131.03548	2.1
133.03053	0.7
134.03772	3.4
135.04564	1.4
139.11383	0.9
143.03516	1.8
143.34070	0.8
149.04616	0.9
152.99588	12.6
159.04558	0.9
161.04495	4.9
179.05630	0.9
324.15448	0.8
349.16586	2.4
465.22818	2.0
465.28680	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23030	4.6
57.57710	4.7
59.01377	22.2
67.44513	5.0
71.01376	6.0
71.50582	4.2
71.50979	7.3
78.95903	37.4
109.02230	6.9
109.02958	100.0
109.06515	5.0
110.03325	6.7
119.05015	6.0
121.02912	8.1
127.60757	4.2
133.01402	8.7
135.04495	18.1
136.05275	32.1
137.06065	7.8
151.39702	4.3
163.03951	6.5
164.07103	5.6
173.83621	4.5
177.05492	12.2
181.05057	8.6
184.72768	4.6
195.06636	76.4
202.70007	4.3
225.03973	16.0
226.56154	4.4
239.05573	25.1
248.40787	5.7
299.98642	10.1
333.01733	4.5
367.25610	5.0
447.06357	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	465.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.6
58.00616	0.5
59.01381	100.0
60.01714	0.7
61.98833	0.7
69.63287	2.2
71.01384	6.4
72.99312	0.8
73.02951	0.9
78.95918	1.5
82.76363	0.4
83.01409	0.5
85.02962	1.2
87.00903	0.6
89.02446	10.2
96.96005	4.1
96.96954	2.5
98.19948	1.0
101.02435	4.7
113.02456	4.1
115.00409	1.1
119.03503	5.0
125.02498	0.9
132.06972	0.4
133.01431	2.5
135.04547	0.7
143.03511	1.1
161.04599	1.3
167.10809	0.9
179.03467	0.6
179.04227	0.5
179.05649	3.6
193.04994	0.5
205.71938	0.4
213.11038	0.5
256.11734	0.9
343.09244	0.7
344.09717	0.8
363.16397	0.5
403.15479	0.4
405.21280	2.9
433.23306	0.4
447.15482	0.6
465.23190	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.113
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.3
61.98837	2.8
69.65287	1.7
69.65694	1.3
71.01366	0.9
73.56084	0.6
80.05068	0.7
101.02440	0.7
104.05062	0.6
111.48785	0.5
120.01256	6.8
122.06104	2.5
132.04539	2.6
133.01442	0.6
135.04543	0.6
148.07683	1.0
165.04326	0.7
169.08994	0.9
182.06108	4.8
183.06874	1.5
184.06288	0.5
184.07744	0.9
186.00728	0.5
187.05121	0.9
196.07632	1.4
197.08511	1.0
198.07826	0.6
199.08771	2.0
210.09204	2.1
211.05132	0.9
211.08740	1.4
212.10811	44.2
213.10237	6.5
225.06699	5.9
226.07472	10.0
227.08153	1.7
227.11948	0.6
228.10326	0.9
239.08215	3.0
240.09030	6.3
253.09937	1.1
255.11377	76.5
256.11667	5.8
281.09335	3.0
299.10361	22.1
300.10703	1.5
327.44223	0.5
341.22046	0.5
343.09320	100.0
344.09631	8.2
377.08255	0.9
420.12234	0.9
464.11377	9.0
464.18149	0.7
465.12103	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01540	0.9
59.01377	23.0
61.98830	100.0
69.73150	1.5
69.73560	3.8
71.01385	4.1
89.02432	1.2
90.43370	0.7
93.06248	0.7
98.20693	1.1
101.02444	1.5
105.43105	0.8
105.93704	0.7
113.02466	1.8
115.00377	1.6
133.01413	5.8
133.99721	0.8
135.04500	0.8
143.31969	0.8
157.96007	0.9
161.04521	1.1
163.03795	0.9
178.02617	1.2
226.62926	0.9
251.16158	0.8
315.18021	1.7
464.25766	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	5.8
59.13493	0.7
61.98830	100.0
69.57851	1.4
69.58270	2.7
71.01389	2.5
77.50735	0.5
89.02448	0.9
96.35886	0.5
97.75892	0.5
101.02430	0.7
133.01337	0.6
135.04564	0.7
303.21878	0.8
401.73691	0.6
464.25702	4.4
465.26987	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3066
Annotation	(+)-Aerocavin
Peak:m/z	Relative Intensity
52.39996	1.0
59.01380	25.7
64.95942	1.1
66.42737	1.0
76.93940	1.2
80.96500	1.6
98.19898	3.2
147.04567	1.1
150.90733	1.0
169.93405	1.1
192.69565	1.0
270.24063	1.1
271.02472	1.6
300.02679	1.2
301.00003	1.0
301.03418	1.0
313.25320	4.7
329.28592	1.2
357.31558	7.8
375.32642	3.8
399.03052	1.2
401.30530	19.4
402.30905	4.2
419.31427	2.8
445.29440	2.0
454.20724	1.1
463.30603	100.0
464.30875	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	464.113
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.5
69.26897	5.0
69.88023	0.5
71.01386	0.7
72.86610	0.7
115.00397	0.7
120.01247	5.8
122.06105	2.7
132.04543	2.2
133.01405	1.7
148.07640	0.7
165.04297	0.7
170.09718	1.2
174.05598	0.6
182.06120	4.7
183.06885	1.8
184.07771	1.0
196.07678	1.8
197.08478	1.7
198.07858	0.8
199.08813	1.0
210.09241	2.7
211.05118	0.6
211.08783	0.8
212.10815	43.6
213.10239	5.8
225.06682	6.6
226.07452	11.2
227.08107	1.8
228.10286	1.0
239.08180	3.9
240.09064	7.6
253.09747	1.3
255.11383	80.6
256.11722	6.0
281.09308	3.7
295.01990	0.6
299.10345	16.7
300.10715	1.8
301.16214	0.7
325.08102	0.7
343.09320	100.0
344.09680	7.8
377.08038	1.5
420.12271	0.7
464.11273	26.3
465.11658	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	463.255
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.2
58.00590	1.4
59.01378	54.3
60.01706	0.9
61.98826	2.6
68.13437	0.6
69.11558	0.6
69.61391	3.5
71.01382	17.5
72.99313	1.8
73.02943	2.1
75.00865	0.9
78.95916	4.5
83.01398	2.6
85.02946	5.7
87.00886	1.5
89.02446	9.9
91.89045	0.6
93.16550	0.6
95.01386	1.4
99.00906	0.7
101.02448	8.8
101.55539	0.6
105.03500	0.7
113.02448	8.0
115.00376	0.9
119.03509	2.3
133.02939	0.7
134.03685	1.1
135.04524	1.8
137.02452	0.8
152.99577	6.8
161.02457	0.8
161.04546	1.1
177.01945	1.0
179.03477	0.7
209.04538	1.3
214.51506	0.6
221.19078	7.8
239.20171	28.1
240.20552	1.7
241.18146	1.1
255.19659	17.8
256.19992	1.1
257.21201	1.9
265.18213	0.9
271.02405	1.1
283.19168	8.7
285.20593	1.6
297.20624	1.1
300.02737	1.3
301.03458	1.6
301.20184	31.4
302.20557	1.5
304.49838	0.7
319.22733	0.8
325.20163	1.3
343.21292	4.1
347.15051	1.2
445.24606	2.2
446.50879	0.8
463.25500	100.0
464.25742	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	463.3065
Annotation	(+)-Aerocavin
Peak:m/z	Relative Intensity
59.01354	1.8
71.01366	3.8
82.80062	0.9
86.62894	0.9
98.20723	1.7
133.02905	0.9
135.04489	0.9
136.04944	1.0
138.61668	0.9
141.79778	0.9
161.02405	1.0
162.09427	0.9
271.02338	1.2
297.22266	1.6
300.02753	1.3
327.23300	1.8
327.26910	23.3
328.27145	2.0
329.28448	28.2
330.28772	2.9
341.28436	3.5
343.26443	10.7
357.31555	4.9
361.27325	3.1
375.32834	1.1
401.30551	49.3
402.30701	5.6
405.74634	1.1
419.31638	2.2
445.25861	1.9
451.29257	1.1
463.30585	100.0
464.30908	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	463.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.5
58.88318	0.4
59.01373	1.4
60.01939	0.4
61.98829	1.2
78.95912	3.2
90.29359	0.4
107.05038	0.6
117.03501	0.7
132.02126	0.8
133.02960	18.9
134.03792	2.7
135.04530	34.6
136.04883	0.8
137.02473	0.9
150.98080	0.4
152.99571	6.2
159.46852	0.5
161.02440	100.0
162.02788	3.5
179.03502	12.8
180.03874	0.5
209.11960	0.6
221.19099	4.8
229.12474	0.5
239.20065	0.8
265.18069	3.6
283.19095	4.5
300.02713	0.6
301.20181	12.5
302.20621	1.1
403.28827	0.6
445.22345	1.1
463.23358	62.4
464.23700	7.5
481.31363	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39529	0.5
55.62133	0.4
58.17703	0.4
59.01381	2.7
60.61418	0.4
62.31274	0.5
63.02396	0.5
65.00323	1.2
71.01377	0.9
83.01366	0.6
89.02418	0.4
107.01415	2.5
108.02154	1.8
109.02946	1.8
114.45880	0.6
115.00387	0.7
119.01367	0.6
119.43615	0.5
121.02951	2.4
124.01648	0.5
125.02448	1.0
125.22999	0.5
135.00856	1.1
136.53142	0.5
139.03940	0.5
148.01700	2.3
151.00378	11.8
157.83812	0.4
159.04507	0.8
161.04555	0.5
163.00359	3.7
164.01054	0.7
175.04013	0.8
178.99861	6.6
187.03984	0.8
199.03972	1.3
199.13399	0.8
201.01901	0.6
209.11760	0.5
211.03975	1.6
216.04385	0.5
226.02696	1.8
227.03564	3.7
227.12914	1.1
228.04083	0.6
229.05029	0.9
242.02301	0.4
243.02986	12.0
244.03360	1.4
245.04579	1.4
254.02138	3.2
255.02965	28.3
256.03369	1.8
271.02466	65.2
272.02927	5.3
272.05750	0.7
273.04092	1.4
283.02310	1.1
286.91107	0.5
299.02005	1.3
300.02734	100.0
301.03461	53.3
302.03870	3.1
315.43027	0.5
316.02200	1.4
355.15891	0.5
368.89645	0.5
463.08801	76.2
464.09113	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	463.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.7
57.03444	1.0
59.01379	100.0
60.01708	0.7
64.32439	0.3
69.03468	0.8
71.01383	10.1
71.05033	0.9
71.52966	0.5
72.99310	1.0
73.02942	2.7
75.00857	0.4
81.03444	0.5
81.45964	0.3
83.01378	1.9
85.02946	7.5
87.00871	6.2
89.02460	1.8
92.90674	0.3
93.03458	0.6
95.01392	1.3
95.05070	0.4
96.96034	0.7
97.02975	1.0
99.00882	1.8
101.02444	4.0
108.02204	0.7
109.03026	0.4
111.00865	0.4
111.04551	0.5
112.01671	0.3
113.02448	7.4
113.06108	0.4
115.00403	0.6
115.04066	0.3
123.04530	2.1
125.02494	1.4
125.06120	1.9
127.11308	0.6
129.01944	0.4
133.01427	0.6
134.03761	0.5
135.04543	1.0
139.04047	0.4
141.05626	1.3
142.59326	0.3
143.03490	0.6
151.04062	0.4
153.05630	0.5
159.03038	0.5
161.04544	1.6
169.05099	1.3
174.03152	0.3
175.07635	0.4
175.32144	0.3
177.05376	0.3
179.03633	0.3
183.13928	1.1
191.03432	0.4
200.17287	0.3
201.04120	0.5
215.05496	0.3
221.08257	1.4
233.06651	0.3
241.00188	2.4
241.12172	0.3
259.06204	1.0
275.07803	0.5
289.16574	2.4
321.24466	0.4
329.16339	0.4
340.09641	0.8
369.13489	1.7
401.16318	1.2
403.19623	6.6
404.20068	0.4
407.87030	0.3
421.20688	7.1
422.20978	0.5
463.25525	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.0
61.98824	0.7
63.02384	0.4
63.76926	0.3
65.00323	1.0
69.18635	2.8
71.01378	1.4
83.01390	0.6
85.74558	0.3
89.02428	0.5
92.34150	0.3
101.02428	0.6
107.01396	2.2
108.92648	0.4
109.02944	1.6
113.02431	0.6
113.74400	0.4
113.91416	0.4
123.00923	0.4
124.01651	3.5
125.02448	1.0
133.01448	0.7
135.00874	0.7
135.04556	0.7
136.01514	0.4
137.02457	4.0
148.01683	0.5
151.00363	8.1
152.01118	1.6
163.00368	1.2
163.65820	0.4
164.01184	1.6
165.01851	0.5
171.04503	0.4
175.03969	0.7
178.99864	7.4
179.98863	0.9
186.37189	0.3
187.03975	0.8
190.00847	0.5
190.99811	0.5
192.00682	0.7
193.01428	0.5
199.03949	0.6
199.13382	1.0
203.03452	0.8
204.04176	0.5
214.02707	7.4
215.03249	1.3
227.03522	1.3
227.12857	2.9
231.02954	0.6
232.03622	0.6
242.02213	5.3
243.02928	4.3
244.03615	0.6
259.02466	6.9
260.02963	0.8
266.76083	0.4
270.01694	6.9
271.02457	39.7
272.02844	3.2
287.01978	23.1
288.02533	3.4
289.03348	0.4
299.01898	0.7
300.02768	0.4
313.33691	0.4
316.02219	100.0
317.02872	22.8
318.03394	1.3
357.07358	0.9
391.04385	0.6
391.12207	1.6
401.06549	1.2
463.08807	67.9
464.09183	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	462.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	1.5
59.01378	78.6
60.01697	5.0
61.01802	2.2
61.98829	100.0
69.30251	9.7
69.30674	5.2
71.01376	15.9
72.99328	2.3
83.01393	2.0
85.02953	6.0
89.02452	11.9
95.01385	2.0
101.02431	7.2
113.02468	8.3
116.88347	1.4
119.03516	4.6
132.21931	1.6
133.02895	2.2
135.04437	2.8
152.99657	2.1
205.96536	1.6
221.19032	4.8
239.20168	24.8
283.19077	30.8
393.73584	2.0
402.24948	4.2
427.80396	1.8
463.25653	13.9
463.31339	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3269
Annotation	Stoloniferone F
Peak:m/z	Relative Intensity
57.03452	3.6
59.01383	23.4
70.07668	1.7
71.01381	2.4
71.05034	1.0
78.95917	0.6
83.05044	0.6
111.15458	0.5
129.05571	1.2
135.64668	0.4
152.99577	1.7
162.19754	0.5
262.66974	0.6
297.22229	0.7
313.25385	2.7
329.28607	3.0
331.26572	1.0
341.28510	1.9
345.31580	4.2
346.31833	0.7
355.30099	0.8
371.29520	7.2
372.30002	0.9
373.34695	1.0
375.51404	0.6
381.31546	4.5
383.29358	0.8
389.30731	6.6
399.32758	10.5
400.33081	1.2
401.30585	15.9
402.30954	2.2
417.33633	2.2
443.31689	6.1
444.32013	1.2
461.32770	100.0
462.33130	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	462.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44164	0.6
59.01376	2.9
61.98833	100.0
69.59879	5.2
71.01392	0.9
72.48827	0.7
92.71433	0.8
96.66436	0.9
98.20631	1.4
113.02505	1.0
276.36798	0.8
474.21136	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	0.8
59.01380	100.0
60.01719	1.8
61.98834	2.3
68.05072	0.6
68.87042	0.5
69.76311	0.6
70.48413	1.3
71.01382	14.6
73.02957	2.3
83.01406	2.0
85.02946	3.5
87.00904	1.8
89.02437	11.3
94.98085	1.7
95.01416	1.0
95.05041	0.5
96.96011	1.0
97.06576	0.8
99.00873	0.9
101.02441	9.1
107.01845	0.5
109.06612	0.9
113.02447	7.6
119.03513	5.3
125.02489	0.8
133.01427	0.7
135.04510	0.8
143.03508	1.4
145.02943	6.1
146.03731	2.7
151.00227	0.8
159.02997	1.3
161.00703	1.1
161.02394	0.7
161.04533	5.2
173.02417	8.3
174.03224	3.2
176.74280	0.7
177.00139	3.0
178.00986	1.6
179.05583	1.7
183.01247	0.7
189.00224	0.7
202.46793	0.5
203.98941	0.6
204.99667	11.0
206.00414	40.2
207.00815	1.8
207.10260	0.6
220.99187	1.3
225.11369	1.0
231.98323	1.7
249.99399	79.5
250.99896	4.4
257.07999	0.8
257.17590	6.0
383.20834	1.0
401.21786	13.6
402.22086	1.1
419.22809	9.3
420.23035	0.8
461.13028	2.0
461.23883	22.8
462.24197	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2909
Annotation	Verbacine
Peak:m/z	Relative Intensity
58.03914	0.6
59.01366	4.5
71.01406	0.7
71.51473	1.2
71.93861	0.8
76.02880	0.7
77.50882	0.9
86.38703	0.8
133.02962	8.4
134.03773	7.0
135.04527	26.2
137.02438	5.9
138.29941	0.8
139.04016	1.3
142.31775	0.7
161.02444	17.4
163.11182	0.7
167.70718	0.7
178.02658	1.1
179.03490	10.3
191.14394	1.1
193.16049	3.5
204.95734	0.8
225.11217	1.2
320.65097	0.8
373.31058	1.3
381.27277	0.8
385.27594	1.9
399.28842	1.7
417.30048	9.4
418.30435	1.7
429.26575	9.2
430.26614	1.4
443.27994	3.8
461.29031	100.0
462.29431	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40509	1.8
54.35136	1.9
59.01381	3.1
59.51982	1.7
60.88850	2.0
63.24933	1.8
64.53595	1.9
69.59645	10.6
71.01389	2.0
76.85270	1.9
98.20601	4.2
122.03743	3.6
149.02411	3.4
149.75899	1.9
150.03226	37.8
163.21129	1.9
165.05568	100.0
166.05978	2.7
173.72224	2.6
213.07704	4.9
267.03064	2.1
282.88824	2.6
301.12827	2.6
345.11765	2.8
347.03693	2.3
476.83508	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3481
Annotation	CHEBI:70457
Peak:m/z	Relative Intensity
95.22894	0.6
98.19897	2.2
112.58397	0.6
235.51956	0.6
372.65460	0.7
379.29544	0.7
397.34747	36.1
398.35175	4.8
415.35818	12.2
416.36139	1.2
441.33786	2.5
459.34811	100.0
460.35175	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	460.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63372	1.2
58.97451	1.2
70.44064	4.0
71.01382	21.4
73.55910	1.1
84.99619	1.2
85.46236	1.2
101.07283	1.0
109.02940	10.0
115.00378	17.1
117.00575	1.1
117.61948	1.2
129.02908	1.2
133.01445	2.8
135.04477	1.8
145.02957	1.9
147.04550	3.3
151.03973	1.9
159.04652	1.4
162.05620	18.1
172.05331	1.7
185.06050	2.0
191.44910	1.2
194.85295	1.3
209.05885	1.4
212.04753	1.9
213.05507	4.5
227.07169	4.9
237.05559	5.6
238.06389	4.0
239.03398	1.2
239.07104	3.5
240.04280	3.5
241.05084	11.0
242.05704	2.6
247.31313	1.3
254.05685	2.0
255.06615	58.3
256.07382	88.1
257.07721	7.4
269.08170	26.0
270.08414	1.5
271.09744	38.0
271.12634	2.3
272.10001	3.8
285.10059	41.0
286.10342	3.3
300.12415	84.6
301.12659	6.0
344.11362	100.0
345.11826	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01705	1.1
61.98841	1.6
71.01384	8.0
71.08839	0.5
71.52833	0.9
73.02962	1.5
74.69161	0.6
78.77273	0.5
83.01424	0.8
85.02952	2.9
89.02452	5.5
95.01414	0.9
96.96031	0.6
99.00891	0.8
100.35796	0.6
101.02431	4.9
112.45228	0.6
113.02425	3.6
119.03514	2.3
126.74360	0.6
135.04539	2.4
159.04532	0.8
159.08226	0.5
161.04526	3.2
163.42551	0.6
179.05673	1.6
181.05090	1.2
187.07698	1.7
189.09200	0.8
202.06343	1.0
202.08739	0.8
231.10246	2.6
270.61102	0.5
300.12802	0.6
355.25113	1.7
399.24170	1.9
415.17825	0.7
415.26978	0.8
417.24640	0.6
443.20294	0.5
459.26114	0.8
460.51065	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.7
57.03445	0.6
57.82917	0.5
57.94541	0.4
58.00594	1.1
59.01381	100.0
60.01719	1.3
61.98824	0.9
66.38822	0.5
69.87289	2.2
71.01386	14.5
72.99304	0.6
73.02950	2.6
75.00861	2.5
83.01409	1.8
85.02956	5.2
87.00906	1.6
87.04531	1.1
89.02445	11.9
95.01398	1.5
97.02967	0.4
99.00909	2.1
101.02439	11.8
101.06107	1.5
113.02447	8.3
119.03503	7.7
131.03513	0.7
143.03557	1.9
145.07492	0.5
149.04497	0.6
152.36128	0.5
161.04509	3.5
177.96036	0.5
178.04929	0.6
179.05637	2.7
186.39323	0.5
189.22765	0.5
220.97971	0.5
250.81979	0.6
297.20889	0.8
340.09497	0.8
355.11847	2.3
356.24136	0.6
366.65350	0.5
399.24011	2.3
415.84293	0.5
417.25009	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2906
Annotation	Menatetrenone Epoxide
Peak:m/z	Relative Intensity
59.01383	0.2
78.86368	0.2
98.20744	0.4
107.05031	29.5
108.05365	0.8
116.92841	0.3
120.10239	0.2
147.08128	0.6
150.30609	0.2
163.11285	100.0
164.11621	5.5
229.58936	0.2
238.10043	0.3
265.12372	0.2
280.14691	0.5
283.17035	25.3
284.17352	2.1
295.17023	14.4
295.20554	0.4
296.17401	1.2
319.96548	0.2
381.18085	0.2
451.59192	0.2
459.29034	78.9
460.29367	12.0
460.35953	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64952	0.5
55.01873	0.6
57.03455	1.3
58.00591	3.9
59.01377	100.0
60.01707	0.7
69.30552	1.0
69.30974	3.9
71.01379	49.4
72.99292	2.7
73.02950	4.6
75.08217	0.8
83.01395	2.4
85.02946	9.6
87.00883	2.7
87.14793	0.5
89.02442	69.9
90.02763	0.8
95.01375	3.2
98.19896	1.0
101.02440	27.4
106.65714	0.5
107.42601	0.5
113.02442	19.6
115.00368	0.5
119.03497	27.4
125.02464	0.7
131.03511	3.0
143.03482	4.9
147.85941	0.6
149.04529	2.8
149.14734	0.6
161.04562	4.5
169.11433	0.5
179.05602	8.8
206.78410	0.5
344.28235	0.6
349.95190	0.6
416.81100	0.6
459.25671	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	459.26
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76084	1.6
57.03447	1.8
59.01379	100.0
60.99217	1.6
71.01383	9.8
71.05028	1.6
71.51747	1.8
83.01392	1.6
84.85375	1.6
85.02948	4.1
87.00959	1.7
89.02436	3.8
91.05482	1.8
96.96009	1.9
101.02446	4.0
107.05054	3.2
109.17113	1.5
113.02455	2.2
119.03419	2.0
130.63084	1.5
133.87056	1.7
135.04518	22.1
137.06078	3.2
159.04523	1.5
161.04553	2.2
181.05067	7.0
184.11946	1.6
187.07631	2.8
189.08958	1.7
202.06404	1.5
231.10228	6.7
255.16031	2.7
275.12985	1.5
285.52045	1.7
355.24820	8.9
356.25037	2.0
373.25943	6.9
399.23859	4.8
415.18179	3.0
415.26993	56.5
416.27231	7.1
459.25763	4.8
459.31396	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	459.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18041	0.3
55.01884	1.5
57.03448	0.8
58.00595	1.4
59.01381	100.0
60.01719	0.7
69.49206	1.4
69.49619	1.1
71.01383	31.7
72.99322	1.0
73.02944	4.5
73.14921	0.4
76.55588	0.3
77.65051	0.3
78.49117	0.4
81.04097	0.3
83.01384	2.9
84.02151	0.3
85.02954	8.2
87.00883	1.8
89.02446	34.9
90.02783	0.5
95.01373	2.3
97.02974	0.6
99.00885	1.9
101.02441	24.0
102.02783	0.4
113.02450	15.6
119.03508	18.8
125.02444	0.7
131.03484	1.8
141.72726	0.3
143.03510	3.9
149.04573	1.8
159.03029	1.3
161.04558	8.2
161.05869	0.4
179.05609	8.8
221.25070	0.4
230.42427	0.4
399.23877	2.5
417.99612	0.4
432.15536	0.3
442.93744	0.4
443.82788	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.26
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.0
59.01378	100.0
60.01716	0.9
64.85912	0.4
70.75642	1.0
71.01382	7.7
73.02946	1.8
75.91389	0.3
79.00119	0.4
80.26180	0.3
83.01390	1.0
84.52432	0.4
85.02958	3.6
87.00848	0.4
87.04530	1.3
89.02438	2.4
95.01413	1.0
99.00888	1.2
100.77484	0.4
101.02434	3.8
113.02445	6.8
113.03162	0.6
119.03573	0.9
131.03683	0.4
143.03499	0.7
147.15486	0.3
159.02994	0.4
161.04546	3.5
162.39778	0.4
399.23883	5.3
400.24533	1.0
417.25085	2.3
459.22308	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.26
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.3
57.03445	1.5
58.00599	2.8
59.01378	100.0
60.01732	1.3
61.98834	0.6
69.49069	1.1
69.49478	1.8
71.01379	56.4
72.99302	3.8
73.02930	2.6
83.01368	2.4
85.02945	10.8
87.00876	4.1
89.02442	75.1
90.02776	1.2
92.58916	0.5
95.01382	3.9
96.96011	0.7
101.02441	31.2
102.02819	0.7
113.02444	23.0
119.03495	28.0
120.03838	0.6
131.03487	2.7
143.03482	4.7
144.33020	0.5
149.04555	2.8
161.04575	4.3
177.12811	1.1
179.05592	8.8
195.83795	0.5
237.14987	0.7
329.20093	0.6
399.19653	1.0
417.21014	1.4
459.21838	1.8
459.26495	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.1
57.03450	5.3
58.00601	1.1
59.01382	40.0
60.01707	0.9
68.51582	0.9
69.03442	2.1
69.87228	4.5
71.01386	29.1
71.05018	3.5
72.99297	2.0
73.02946	5.5
83.01391	5.5
83.05058	0.9
85.02955	18.4
87.00866	3.0
89.02445	3.6
95.01392	4.0
97.02950	1.8
99.00883	3.0
101.02441	11.3
112.01672	1.5
113.02452	11.0
115.04047	1.1
119.03448	1.2
123.08143	1.0
125.02406	1.3
143.03499	1.0
146.79353	0.9
151.11253	2.2
167.14409	6.1
193.16011	1.6
209.15465	1.2
211.17021	3.8
219.13797	1.7
237.14880	5.9
255.16103	8.5
267.06534	1.3
281.08209	1.2
295.09753	1.2
297.17114	1.0
340.09494	3.2
355.11856	9.1
357.54642	0.9
381.19370	1.0
399.20230	100.0
400.20541	7.3
409.27292	1.1
417.21204	26.4
418.21463	2.1
459.22363	68.7
460.22525	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	459.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69620	0.2
55.01878	2.0
57.03447	3.7
58.00601	1.1
59.01381	79.6
60.01703	0.4
61.98862	0.3
69.03450	1.2
69.49496	1.1
69.49899	0.5
71.01383	22.4
71.05019	2.2
71.73490	0.2
72.01739	0.5
72.99313	1.2
73.02946	8.9
74.03285	0.3
75.00869	0.4
81.03460	0.3
82.95992	0.3
83.01385	5.0
83.05054	0.6
85.02944	9.5
86.00108	0.8
86.03306	0.3
87.00876	2.3
89.02448	6.7
95.01382	2.2
97.02963	0.6
98.20569	0.5
99.00879	1.9
101.02441	15.6
111.00885	0.6
113.02451	7.7
119.03524	1.8
123.08121	0.3
125.02445	0.5
126.75122	0.3
143.03487	0.7
151.11298	0.3
152.91499	0.3
161.04539	1.1
167.14391	2.8
177.12849	0.3
179.14459	0.3
193.15955	0.6
195.13852	0.3
209.15434	0.5
211.17000	2.5
219.13869	0.6
236.35306	0.3
237.14960	4.8
238.15359	0.4
255.06619	0.3
255.16016	5.4
256.16232	0.3
263.12933	0.3
307.70041	0.3
309.17142	0.6
333.27521	0.3
381.18979	0.4
388.16913	0.3
399.20129	13.7
400.20398	1.6
417.21255	42.3
418.21585	4.0
441.21146	0.7
459.22333	100.0
460.22668	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.6
57.03448	1.2
58.00585	0.9
59.01380	100.0
60.01678	1.2
61.98804	1.2
67.56619	0.9
69.32208	2.0
69.32614	5.3
70.25384	0.8
70.25753	0.8
71.01379	21.5
73.02942	7.2
83.01393	3.7
85.02945	5.7
87.00867	2.7
89.02444	14.3
95.01414	1.3
98.19859	1.7
99.00879	1.7
101.02441	11.9
113.02437	11.6
119.03514	4.9
133.01407	1.0
143.03481	1.5
149.04439	0.9
161.04553	3.5
175.87984	0.9
177.12857	1.6
182.43513	0.8
193.15953	1.0
199.05092	0.8
207.04436	1.0
255.15881	2.0
256.07480	0.9
263.11176	1.5
373.18613	2.8
399.20078	4.3
415.19650	6.3
417.20889	1.1
428.56058	0.8
432.55942	0.9
441.24960	4.9
459.21313	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.1
57.03444	1.2
58.00583	0.9
58.58351	0.5
59.01381	100.0
60.01694	0.9
71.01384	29.1
72.01748	0.6
72.99316	1.8
73.02945	9.2
83.01382	3.8
85.02946	10.5
87.00903	2.1
89.02444	17.7
93.62045	0.6
95.01403	2.9
97.02985	1.1
98.19926	1.3
99.00926	1.9
101.02444	17.1
107.57160	0.7
111.00922	0.7
113.02451	21.7
114.02766	0.8
119.03487	6.1
125.02498	1.2
125.06107	2.1
127.24881	0.6
131.03531	1.2
141.45857	0.6
143.03546	2.1
149.04488	0.9
161.04597	3.9
161.05838	0.6
161.32893	0.6
175.11267	1.1
179.03564	0.6
179.05682	1.9
189.12779	0.7
193.12543	0.7
195.10350	0.8
211.13487	0.9
219.13957	1.6
237.11278	0.7
237.14940	7.2
238.15355	0.7
255.02930	0.8
255.12483	1.5
255.16113	2.5
297.04224	0.7
297.17084	0.6
343.17868	1.2
355.98865	0.7
363.18201	0.7
373.07083	0.9
381.19040	4.9
385.18658	3.5
399.20209	14.3
400.21051	1.6
414.79227	0.6
417.21286	15.0
417.26581	0.8
418.21811	1.8
429.45468	0.6
441.21371	2.0
459.22348	13.6
460.22925	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71608	0.5
53.90374	0.4
57.03450	0.8
59.01380	100.0
60.01705	0.7
61.98835	1.0
71.01382	10.7
71.52509	0.7
72.99322	0.8
73.02945	2.5
83.01393	1.0
85.02963	2.9
87.00886	0.8
88.98807	5.1
89.02442	8.4
89.06098	0.7
95.01392	0.7
96.96046	0.7
101.02445	7.5
108.02133	0.5
109.02950	0.8
113.02459	4.4
115.00396	1.2
119.03521	3.0
121.02961	0.6
127.17283	0.5
128.03506	1.2
131.03499	0.6
133.01437	1.8
135.03027	0.6
135.04564	1.1
136.01732	1.0
143.03508	1.2
161.02467	1.3
161.04561	1.8
163.03970	0.5
171.07803	0.7
177.01991	0.9
179.03452	1.0
179.05640	0.6
190.99930	1.3
192.00648	8.6
195.10320	0.9
224.87726	0.4
237.07854	1.0
291.64716	0.5
299.09421	1.1
333.15784	0.6
339.14597	1.2
341.06488	0.6
353.06799	0.6
357.15729	1.8
371.07755	1.9
397.05606	0.6
399.16443	3.3
415.06747	5.4
415.23755	0.9
458.61481	0.7
459.23050	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	459.187
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30366	0.4
53.86367	0.4
56.92298	0.4
59.01381	100.0
60.01725	0.8
61.98835	0.6
71.01380	7.5
71.51818	0.6
73.02947	1.9
73.11954	0.4
83.01414	0.6
85.02957	1.4
85.13464	0.4
89.02452	5.5
89.02959	0.6
95.01404	0.5
99.00881	0.5
101.02434	4.1
103.22167	0.4
110.75622	0.4
113.02451	3.2
114.96504	0.4
119.03491	2.1
121.02956	0.7
128.03513	0.5
133.01465	1.1
135.04539	0.6
150.33339	0.4
161.04581	1.5
177.09239	0.6
177.88983	0.4
179.05676	0.8
192.00745	0.6
195.10248	0.9
196.24615	0.4
211.95703	0.4
227.03693	0.6
237.07730	0.6
255.03094	0.7
267.06662	0.4
284.03241	0.8
339.14600	0.7
357.15475	2.2
387.07449	1.1
399.16431	4.2
459.22937	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13665	0.9
59.01375	3.0
70.84673	2.1
70.85027	1.1
71.01385	3.5
73.02944	41.1
82.39026	1.2
88.85223	0.8
89.02441	2.9
92.95979	1.7
93.83017	0.9
99.00909	5.1
115.00392	1.0
116.92857	7.8
117.01939	100.0
118.02282	2.3
118.05086	1.6
149.05986	1.2
150.08614	0.8
164.41592	0.9
176.98083	1.0
191.05676	2.0
249.00278	1.3
255.06609	2.2
256.07349	2.9
266.97717	1.5
269.08072	1.6
285.10135	1.3
300.12411	4.0
323.53009	0.9
341.11050	1.6
344.11401	4.3
450.63510	1.2
451.05377	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	26.5
59.20415	3.1
59.60695	3.1
66.31049	2.8
71.01390	5.6
73.02964	3.8
73.27983	3.2
81.76670	2.9
96.81700	3.2
115.18629	3.1
134.24646	3.4
135.04533	4.7
144.12851	3.0
145.02934	6.4
170.35025	3.6
174.10873	3.5
229.30763	3.9
239.07117	7.2
253.08492	4.3
266.05872	7.0
267.06702	20.8
280.07358	10.7
281.08255	20.4
295.09702	16.9
296.10529	7.5
299.26501	3.2
340.09512	34.4
355.11853	100.0
356.12164	9.7
399.20459	6.4
417.21329	16.6
459.22525	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	459.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22488	1.8
59.01379	77.0
59.76468	1.9
61.45782	1.8
65.69471	1.9
69.17667	14.5
69.18079	4.8
71.01376	14.9
73.02942	7.3
73.33425	2.2
76.10624	1.8
82.45693	1.9
83.01379	2.5
84.76129	1.9
85.02939	4.2
89.02428	8.6
96.77568	2.0
98.20624	3.6
101.02449	13.3
105.36971	1.7
113.02460	9.8
119.03493	4.3
135.04539	6.6
144.60167	2.0
145.02946	5.4
154.75031	2.1
158.10046	1.9
161.04567	2.3
221.06018	2.0
225.05478	2.2
231.56934	1.8
239.07088	5.9
253.08820	4.4
263.07077	2.8
264.07813	3.5
266.05667	2.1
267.06622	20.9
268.07092	3.2
279.10144	2.1
280.07379	12.2
281.08133	20.2
282.08591	2.5
295.09756	19.3
296.10342	7.9
311.12961	4.2
323.09271	2.4
325.07101	4.3
340.09503	36.8
341.09799	4.4
355.11859	100.0
356.12259	11.1
459.26239	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	459.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11468	1.1
59.01377	8.4
71.01392	8.2
71.50575	1.8
72.00903	2.9
73.02945	51.3
73.26813	1.1
74.02454	1.4
74.03291	1.1
78.21804	1.2
85.02928	1.5
89.02444	8.9
90.74075	1.1
96.72836	1.1
99.00887	4.4
101.02412	2.0
109.02938	1.3
113.02442	2.2
115.00383	1.5
116.97279	3.3
117.01941	100.0
118.02255	1.7
118.05105	13.8
119.03491	2.3
135.04565	2.0
162.05635	2.2
179.03365	1.4
179.05603	4.6
189.07260	1.0
191.05573	4.6
228.13524	1.1
241.04987	1.5
245.18372	1.1
255.06693	4.8
256.07431	7.5
269.08240	3.0
271.09784	2.5
285.10095	2.4
299.09378	1.2
300.12476	9.3
341.10870	12.5
344.11230	8.1
353.18393	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3687
Annotation	3alpha,20-Dihydroxy-3beta,25-epoxylupane
Peak:m/z	Relative Intensity
60.99311	8.0
71.51052	1.6
91.79459	1.9
101.49406	1.5
139.96049	1.7
213.01222	1.9
329.04626	1.8
439.35892	1.9
457.36856	100.0
458.37204	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02560	0.7
82.46465	0.7
93.33017	0.9
173.29181	0.9
194.20047	0.8
205.15901	1.2
207.17589	2.0
249.18571	23.0
250.18980	2.2
251.20160	11.5
457.36874	100.0
458.37207	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	457.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85393	0.3
57.03447	2.1
60.99297	1.3
68.07410	0.3
69.03442	1.1
70.59760	0.3
70.89059	0.7
70.89374	0.4
93.88499	0.4
106.19386	0.5
129.30321	0.4
351.92685	0.4
397.34821	5.9
398.35126	0.8
413.37881	5.1
414.38092	0.8
419.41916	0.4
439.35886	3.2
440.36105	0.4
457.36862	100.0
458.37228	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	457.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	36.7
65.12907	7.1
70.52200	23.8
71.01383	27.6
76.86880	6.9
78.95910	25.2
89.02446	31.4
96.26675	6.9
101.02395	9.3
119.03533	7.6
136.07199	7.4
143.24040	7.6
152.99561	28.2
179.05611	22.6
222.35381	6.7
259.20590	9.9
259.70145	7.9
277.21698	100.0
277.51810	7.6
345.42731	7.0
413.34384	10.6
413.65964	8.5
457.35440	80.7
458.33743	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	457.332
Annotation	Topsentisterol C1
Peak:m/z	Relative Intensity
59.01365	1.3
60.99291	1.0
71.01383	1.5
78.95921	1.1
83.05024	2.3
89.02443	12.8
96.95264	0.8
98.20686	1.8
119.81585	0.7
152.99500	0.9
153.96956	0.8
160.77492	0.8
187.55646	0.8
205.15985	1.2
221.49174	0.8
249.14928	3.2
250.15741	3.1
251.16409	1.5
255.23376	0.9
282.14716	2.7
288.20166	0.7
315.23557	1.2
340.24057	1.9
342.25656	10.2
343.25967	1.5
365.28644	2.5
379.29980	3.1
393.31842	1.3
395.33115	23.5
396.33411	2.4
413.34073	4.5
439.32022	9.8
440.32596	1.2
457.33209	100.0
458.33530	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01720	1.2
61.98823	1.7
71.01384	19.6
71.05022	0.8
71.52138	1.2
72.99322	1.2
73.02953	8.2
83.01383	1.9
85.02940	4.9
87.00874	1.4
88.26338	0.7
89.02441	11.2
95.01402	1.5
96.96037	1.6
99.00875	1.9
101.02447	12.4
109.02969	0.8
113.02476	7.3
119.03526	5.8
121.02957	1.4
125.02411	1.3
133.01382	1.1
135.01778	0.9
135.04587	3.8
137.02446	2.9
137.06097	0.9
143.03542	1.3
161.02399	1.2
161.04561	2.0
166.71231	0.8
173.04579	1.4
178.02786	1.1
179.03450	1.8
179.05743	1.0
181.04999	1.0
191.14372	1.0
191.24992	0.8
197.24060	1.0
198.10785	0.9
201.05522	1.3
253.18050	3.5
283.01215	1.3
397.22272	7.8
415.23318	16.9
416.23413	1.7
454.19583	0.9
457.24466	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	457.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.5
57.03448	2.0
58.00590	1.8
59.01379	100.0
60.01716	0.8
61.98826	1.1
69.03459	1.0
69.47359	3.2
71.01380	35.2
72.01727	0.6
72.99297	2.1
73.02946	26.9
74.03270	0.5
75.00866	1.0
81.03497	0.4
83.01382	7.8
85.02946	6.8
87.00871	3.2
89.02444	23.8
95.01395	1.9
97.02947	0.7
97.35231	0.4
99.00891	4.0
99.04540	0.9
101.02444	32.4
103.03954	0.4
104.56569	0.5
113.02445	14.4
115.04001	0.5
119.03501	10.8
121.10210	0.4
121.30606	0.4
125.02457	1.3
131.03493	2.2
143.03500	3.8
149.04585	2.0
152.53616	0.4
155.03471	0.7
161.04568	7.0
165.11632	0.4
171.07291	0.4
173.67203	0.4
178.04868	1.6
179.05614	5.5
203.05649	0.5
205.16055	1.1
217.16087	0.7
225.58304	0.4
247.17065	0.6
253.18201	1.9
319.19031	0.6
353.23422	1.0
397.22333	2.6
415.23370	12.8
416.23959	1.6
457.24338	8.2
458.25168	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.9
57.03450	1.5
58.00586	1.0
59.01379	100.0
60.01738	0.9
69.03454	0.6
69.30235	1.7
69.30656	2.2
71.01380	21.0
72.99310	1.0
73.02942	9.6
75.70561	0.4
83.01381	4.6
85.02954	7.0
87.00890	1.4
89.02443	14.3
95.01392	1.9
99.00886	1.2
101.02442	17.1
107.98344	0.5
113.02440	7.3
119.03495	5.8
120.53104	0.5
123.08162	1.9
125.02455	0.6
131.03529	1.2
143.03496	1.2
149.04575	1.1
153.09225	0.5
159.10251	0.6
161.04605	3.2
178.04784	0.5
179.05632	2.5
182.12793	0.6
201.49614	0.5
208.14435	0.5
226.42322	0.5
233.19099	0.5
253.18094	2.4
277.18149	2.5
295.19040	1.1
297.46103	0.5
321.15555	0.6
397.22180	1.8
415.23328	5.9
457.24417	55.6
458.24573	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	457.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.5
57.03429	0.5
58.00585	0.8
59.01378	100.0
60.01717	0.9
62.70092	0.3
69.21107	3.3
69.21449	0.2
71.01380	14.9
72.84894	0.3
72.99313	0.7
73.02943	8.4
75.00869	0.3
82.31220	0.4
83.01374	2.5
84.21482	0.3
85.02954	3.7
87.00907	0.8
87.04525	0.5
89.02443	11.2
95.01392	0.7
99.00848	1.5
101.02438	13.2
101.06047	0.6
113.02448	7.0
119.03505	4.6
131.03546	1.0
131.51768	0.4
139.07651	0.9
143.03496	1.0
149.04518	0.7
150.04987	0.4
159.03143	0.4
159.10306	0.4
161.04565	3.3
165.12895	0.5
178.04793	0.4
179.05598	2.6
253.18120	3.5
291.13208	0.3
295.19351	0.4
303.14575	0.8
319.19250	0.4
321.15576	1.1
397.22321	1.1
415.23312	5.4
416.23886	0.4
428.78662	0.3
457.24637	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.9
58.00578	0.8
58.68005	0.5
59.01377	100.0
60.01723	1.0
70.84462	0.5
71.01378	13.5
72.99315	1.1
73.02940	3.3
83.01392	1.7
85.02955	4.1
87.00889	0.7
89.02440	9.9
95.01396	1.5
96.10396	0.6
96.96035	1.1
99.00914	0.8
101.02446	9.2
113.02448	5.9
119.03503	3.7
123.73746	0.6
135.04469	2.9
143.03499	1.2
159.02963	0.7
161.04599	1.3
179.05724	1.0
235.17093	0.9
253.18057	4.9
257.47452	0.6
277.11185	0.7
340.26706	0.6
355.07162	1.0
397.22293	16.1
398.22781	2.1
414.05896	0.7
415.23276	14.8
415.28458	1.0
416.23865	1.8
417.98849	0.6
457.24969	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	457.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21569	0.5
58.00589	0.8
59.01379	100.0
68.86951	0.6
70.03217	1.7
71.01382	8.4
73.02953	2.6
83.01397	2.0
85.02950	3.9
85.54965	0.6
87.00874	0.8
89.02448	7.2
95.01395	0.7
99.00874	1.3
101.02450	5.8
113.02438	5.3
119.03532	2.4
121.68738	0.6
161.04550	1.2
191.14510	1.1
253.18138	3.3
339.20444	0.6
397.22302	8.0
398.22849	0.8
405.43057	0.7
415.23386	13.6
416.23804	1.2
457.24445	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
60.09161	0.2
69.34612	1.8
78.75755	0.2
78.95904	58.3
91.80589	0.2
96.96961	7.4
104.36076	0.2
118.81343	0.2
150.97998	2.0
152.99585	100.0
153.99947	1.4
171.00650	4.7
192.39662	0.2
253.54768	0.2
287.24457	0.2
303.23367	0.3
457.23657	3.7
457.33310	0.3
458.24094	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48687	0.2
53.96942	0.3
55.70869	0.2
56.56556	0.2
59.01389	0.3
62.96403	0.3
70.53040	0.5
70.53387	0.4
73.02930	0.4
78.42230	0.3
78.95905	73.6
85.36392	0.2
96.96963	5.7
128.55888	0.2
138.14273	0.3
143.75670	0.3
150.98048	1.6
152.99586	100.0
153.99953	1.3
171.00647	3.5
250.78200	0.3
260.29504	0.3
281.24927	0.6
303.23422	0.4
457.23679	7.5
457.31973	1.1
458.23862	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.7
57.03454	0.7
57.97570	0.5
58.00597	0.8
59.01378	100.0
60.01727	1.0
61.98828	0.5
71.01379	12.9
71.51994	0.5
72.99340	0.7
73.02943	4.4
83.01394	1.5
85.02946	4.4
87.00896	0.8
89.02444	10.6
95.01393	0.7
96.96011	1.8
96.97002	0.5
99.00868	0.5
101.02444	9.5
113.02436	6.8
114.25433	0.4
119.03510	3.2
131.03552	0.5
135.04530	1.7
137.02440	0.9
143.03528	0.5
161.04567	1.0
177.01971	0.9
179.05669	0.7
181.05112	0.6
231.10393	0.5
235.17024	1.0
253.18074	4.5
314.10547	0.6
315.10938	0.6
331.05182	0.5
354.26187	0.4
355.06873	0.7
397.22290	15.3
398.22781	1.6
415.23376	15.3
416.23868	1.2
457.24600	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98820	3.5
69.30025	15.3
71.01379	15.0
73.02951	7.4
80.96575	1.5
83.01368	3.2
85.02944	3.9
89.02443	7.0
101.02441	11.9
113.02432	5.1
119.03515	2.9
124.77222	1.8
135.04521	2.2
137.02429	3.9
147.11771	3.0
161.04535	3.5
167.05760	3.1
174.03206	1.6
174.67664	1.5
176.83704	1.5
191.10661	2.1
201.20988	1.6
209.11818	10.1
225.05893	1.6
270.11249	2.0
271.11630	2.7
314.10178	3.7
315.10672	6.3
338.29282	1.9
397.22467	1.7
457.24500	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	457.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.7
57.03454	0.7
57.97570	0.5
58.00597	0.8
59.01378	100.0
60.01727	1.0
61.98828	0.5
71.01379	12.9
71.51994	0.5
72.99340	0.7
73.02943	4.4
83.01394	1.5
85.02946	4.4
87.00896	0.8
89.02444	10.6
95.01393	0.7
96.96011	1.8
96.97002	0.5
99.00868	0.5
101.02444	9.5
113.02436	6.8
114.25433	0.4
119.03510	3.2
131.03552	0.5
135.04530	1.7
137.02440	0.9
143.03528	0.5
161.04567	1.0
177.01971	0.9
179.05669	0.7
181.05112	0.6
231.10393	0.5
235.17024	1.0
253.18074	4.5
314.10547	0.6
315.10938	0.6
331.05182	0.5
354.26187	0.4
355.06873	0.7
397.22290	15.3
398.22781	1.6
415.23376	15.3
416.23868	1.2
457.24600	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.0543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27485	1.4
54.17735	1.2
59.01381	10.7
71.01381	2.4
71.50931	2.3
93.03448	7.5
96.96006	3.2
111.85937	1.3
115.00348	1.6
115.95455	1.3
119.05029	2.9
121.06598	8.8
131.32753	1.3
133.01385	3.8
135.04559	3.1
135.26245	1.2
145.02971	2.5
147.04610	1.9
164.70178	1.3
165.05565	100.0
166.05917	5.2
179.03441	3.2
185.00082	4.8
203.01151	57.1
203.03075	3.1
204.01364	1.6
209.04533	35.2
210.05029	1.4
221.01286	2.5
247.00055	3.0
253.08629	2.0
369.07053	5.6
457.16040	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
58.88013	1.7
59.01378	100.0
61.98825	6.0
63.63594	1.7
69.26234	16.6
71.01379	25.0
73.02953	16.4
83.01384	5.5
85.02938	3.4
88.98811	1.7
89.02448	10.7
92.53587	2.2
101.02431	21.5
113.02441	8.2
119.03561	2.0
120.86855	1.7
135.04536	6.2
137.02397	6.3
147.11777	2.9
153.68535	1.8
161.04544	4.5
177.01869	2.5
179.03485	4.0
191.10802	4.3
209.11783	7.9
271.11771	2.0
315.10690	6.0
323.10391	2.1
397.21991	2.5
413.18127	2.5
457.24307	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	457.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50544	0.3
54.05430	0.3
55.01875	4.8
57.03441	0.5
58.00609	0.4
59.01378	100.0
60.01722	0.8
61.98848	0.4
69.03462	0.5
69.43456	2.5
71.01379	11.4
72.78127	0.3
72.99310	0.6
73.02953	2.7
81.03476	0.3
81.71544	0.3
83.01398	1.8
85.02948	7.9
87.00867	2.4
89.02443	9.1
91.90195	0.3
92.05025	0.3
95.01414	0.3
97.02973	0.6
99.00875	3.1
99.92585	0.4
101.02444	9.4
107.05058	0.4
108.02184	0.4
109.02985	0.6
111.04565	0.3
113.02449	4.1
115.00426	0.8
116.92866	0.8
117.03449	0.5
119.03505	1.5
123.04543	1.0
125.02439	1.7
125.06115	0.4
129.01961	0.7
131.03493	6.6
131.04457	0.4
133.01430	0.6
135.04556	1.0
137.02487	0.5
137.06105	0.5
141.05591	0.7
143.03516	0.6
145.02980	0.7
149.04544	3.9
157.70853	0.3
161.04581	0.9
173.04620	1.3
179.05685	0.4
191.05684	1.4
201.05676	0.4
203.05649	0.7
231.10260	1.1
233.06650	3.0
240.07826	0.3
242.08586	0.5
243.03157	0.3
251.07657	0.5
253.08743	0.8
271.02563	0.7
275.09341	0.6
293.08667	0.4
297.07852	0.4
300.02917	1.1
312.69708	0.3
339.05023	0.5
397.14944	2.4
415.16278	3.5
415.23425	0.5
457.15854	0.8
458.11487	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3531
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
70.84620	0.6
79.84494	0.2
112.98555	0.3
144.10866	0.2
186.47980	0.2
306.51813	0.2
306.92447	0.2
425.34238	0.3
455.35291	100.0
456.35663	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	456.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.2
57.74797	2.0
59.01379	75.8
61.98818	9.3
70.23438	4.4
70.23837	4.2
71.01382	17.7
73.02948	5.9
83.01375	2.9
85.02934	6.6
86.70290	2.1
87.00916	2.0
89.02445	8.2
93.03457	4.2
96.95998	9.1
97.06586	16.4
101.02436	10.8
109.03000	3.8
113.02428	6.3
115.00413	3.4
121.02951	7.9
121.06524	2.6
124.01639	9.2
133.01411	5.3
133.02986	3.6
135.04515	21.2
136.04834	5.3
137.02441	28.7
137.06149	2.8
138.03204	13.0
138.05519	3.1
148.04063	8.5
149.02437	26.4
150.03143	2.3
161.02415	5.8
161.04594	2.3
163.03990	2.8
165.04315	3.5
165.05566	5.8
166.05077	89.7
167.05893	14.5
177.01961	4.0
179.03490	7.3
180.03943	2.5
181.04994	3.2
182.05367	2.3
203.07314	2.8
239.07086	3.5
240.07919	3.8
241.08687	4.4
246.11223	3.3
253.08640	10.0
267.06476	4.3
270.11365	28.4
271.11798	4.7
285.07468	3.3
286.08319	4.8
294.17810	4.0
296.09335	8.4
297.07022	5.3
297.10095	78.9
298.07892	15.6
298.11313	3.2
303.11066	9.8
314.10327	100.0
315.11060	10.2
380.15240	3.1
394.16501	8.2
412.17609	2.7
424.14273	2.4
456.22839	3.5
456.29367	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	455.3528
Annotation	Ursolic acid
Peak:m/z	Relative Intensity
53.43782	0.9
55.58425	0.7
68.99575	1.1
69.93592	3.0
101.35356	0.8
105.33641	0.9
110.47217	0.7
112.98580	2.2
162.14032	0.9
185.32344	1.0
203.14352	0.9
205.15977	5.5
207.17517	2.2
401.57010	1.0
411.32550	4.5
455.35349	100.0
456.35715	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3529
Annotation	Ursolic acid
Peak:m/z	Relative Intensity
54.97972	0.4
66.48180	0.4
68.99568	0.8
70.08771	1.6
74.64247	0.4
112.98602	0.8
117.07935	0.4
190.26361	0.5
200.33669	0.5
242.99420	0.5
264.90460	0.4
407.33383	0.8
408.00873	0.5
411.32742	0.5
455.35318	100.0
456.35635	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	455.2203
Annotation	CHEBI:78175
Peak:m/z	Relative Intensity
55.82212	0.4
59.01369	1.8
64.07534	0.4
65.34441	0.4
70.06115	0.4
71.31931	0.8
77.54867	0.4
78.95904	57.8
96.96967	7.1
129.99748	0.5
150.98012	1.9
152.99585	100.0
153.99934	1.5
171.00655	4.3
174.76228	0.4
184.44223	0.6
249.77678	0.5
301.21841	0.4
310.26355	0.5
455.22052	2.7
455.31390	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.6
57.03448	1.8
58.00587	2.9
59.01379	55.8
61.98824	1.9
66.51684	0.6
68.31805	0.7
69.39440	1.6
69.39854	4.6
71.01381	32.3
71.06789	0.7
72.99294	2.1
73.02939	4.4
83.01388	3.3
85.02944	9.9
87.00850	1.4
89.02447	27.3
95.01373	3.4
99.00826	1.7
100.00384	0.9
101.01801	1.3
101.02444	22.4
113.02457	13.7
119.03498	10.3
131.03502	0.7
133.02930	0.8
134.02403	0.8
135.04539	7.7
136.04842	2.9
137.02399	1.0
143.03456	0.9
161.02405	4.4
161.04550	2.2
162.02728	1.7
175.07593	0.9
179.03493	1.7
233.45094	0.8
242.10663	0.7
246.07301	0.9
249.18510	1.0
271.31009	0.7
274.10904	2.1
275.11154	3.0
314.10492	3.4
318.09592	0.9
319.10175	2.4
443.91269	1.0
455.22827	100.0
456.23041	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	455.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62825	1.1
55.01900	1.2
56.46183	1.1
57.03440	1.5
58.00592	2.5
59.01380	100.0
68.52910	1.0
69.03424	1.3
71.01384	54.3
71.52197	1.7
72.99301	2.3
73.02946	50.6
75.00862	1.6
80.96541	1.1
83.01385	14.6
83.05064	1.2
85.02940	8.2
87.00854	2.7
89.02448	19.4
89.94545	1.1
95.01373	2.6
96.95996	2.0
97.02954	1.4
99.00900	1.8
101.02443	48.4
102.02779	1.5
113.02453	15.3
117.42435	1.1
119.03496	4.8
121.02982	1.2
125.02433	2.0
131.03497	3.2
133.02954	4.0
134.03696	3.2
135.04527	17.1
136.04832	3.4
137.02455	4.3
137.06136	1.8
143.03532	3.2
148.04103	1.9
149.04565	5.0
150.05608	2.5
161.02512	5.6
161.04576	10.4
162.02820	2.4
173.06068	1.5
176.03531	2.2
177.01875	1.7
178.02725	3.4
178.04977	1.3
179.03502	11.3
179.05093	1.5
181.05032	2.2
192.11508	4.1
201.05531	1.7
213.09433	1.1
215.07089	2.0
232.08582	1.6
233.15448	12.1
234.15685	1.7
251.16524	7.6
269.08292	1.8
275.09351	1.6
295.05783	1.6
313.07236	2.1
339.63644	1.1
395.20856	12.5
411.15213	1.3
413.21683	16.7
414.22174	2.4
422.90366	1.1
425.16397	1.4
455.06598	1.4
455.13571	3.1
455.22861	57.6
456.23538	6.0
456.29083	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38741	1.1
59.01112	1.8
59.01381	25.7
65.57280	1.2
69.39252	6.4
69.39680	3.3
71.01382	7.7
73.02940	4.2
78.95873	1.4
80.96401	1.3
83.01384	2.0
84.58149	1.2
85.02957	3.1
101.02428	6.7
109.02990	1.5
113.02462	2.5
117.76787	1.3
135.04530	9.3
137.02510	1.7
149.06073	1.5
159.04503	7.0
161.02423	2.8
161.04553	2.4
161.06023	2.2
162.03011	1.8
163.07645	2.8
171.04553	2.5
172.05257	15.2
173.06052	12.6
175.07631	2.8
177.01942	1.9
179.03392	3.2
181.05043	1.5
185.06039	5.2
186.06776	2.2
187.04056	6.4
187.07629	17.4
188.04774	2.4
188.08257	1.7
197.06046	3.0
199.04077	2.1
199.07584	3.4
200.04782	7.9
201.05547	9.5
202.06326	1.4
214.06339	9.5
215.07114	67.5
216.07819	18.7
217.08685	14.1
218.09036	1.7
229.08559	1.5
231.70457	1.3
232.07417	1.3
261.24545	1.2
279.10074	1.9
280.07288	2.5
281.08105	2.8
282.92856	1.4
292.07486	2.3
293.08136	3.5
294.09076	2.8
295.09656	1.3
303.10080	1.3
307.09760	12.6
321.11292	48.7
322.11874	12.3
347.12933	2.1
354.11078	8.0
359.12860	1.5
366.11069	2.0
369.13315	2.0
381.13400	100.0
382.13742	11.9
389.13895	2.2
401.14087	1.6
407.15015	21.2
408.15274	3.4
419.15060	5.9
425.16086	17.2
426.16290	2.7
437.15994	12.2
438.16113	2.0
455.22754	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	455.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	2.3
55.87202	1.4
57.03455	2.1
59.01380	88.4
61.98834	9.5
68.99561	1.5
69.03450	1.8
70.10127	1.2
71.01018	1.7
71.01386	27.7
71.52258	1.6
72.99276	2.2
73.02959	10.1
75.09581	1.4
81.03488	1.5
82.74664	1.3
83.01388	4.5
85.02949	8.8
86.69694	1.2
87.00864	2.8
89.02431	6.9
90.50055	1.3
91.57375	1.2
93.03432	1.9
95.01380	1.9
97.02931	1.5
97.06585	1.3
98.54389	1.4
99.00861	1.8
100.25848	1.3
101.02441	13.9
107.05035	2.0
109.02966	3.2
113.02452	8.8
115.00404	1.7
119.03472	2.5
119.05032	2.0
121.02930	6.0
125.02461	2.4
133.01443	2.6
133.02960	3.2
134.03757	2.3
135.04526	22.7
136.04892	2.2
137.02443	4.0
137.06087	3.0
140.10803	3.2
143.03502	2.4
145.02876	1.4
147.04466	4.5
148.04138	3.0
148.05324	4.0
149.04668	1.4
150.05573	3.3
159.04494	3.3
160.05247	1.7
161.02403	2.8
161.04565	5.5
161.05994	2.9
162.03192	2.0
163.04007	2.1
163.07610	2.5
171.04393	1.7
173.05972	3.1
175.07643	2.8
176.01115	1.5
177.09250	2.9
178.02647	2.8
179.03439	5.3
180.04250	1.9
180.99054	1.5
181.05115	1.9
187.07570	4.9
189.09204	9.0
190.02650	2.9
191.07133	1.9
194.05885	2.0
199.07634	2.0
201.01772	1.7
201.09129	2.2
211.07689	1.4
211.13225	1.5
215.03482	1.8
216.04282	1.7
231.10080	2.9
235.16936	1.6
238.06505	1.6
241.08647	2.1
242.16000	2.9
251.16527	20.5
251.66766	1.6
253.05074	1.5
253.08734	2.0
267.06616	3.0
268.07397	6.7
269.08130	6.4
271.15512	1.9
279.06696	3.7
279.10086	1.3
280.07251	7.3
281.08249	7.5
283.09818	10.1
284.10342	2.4
293.08163	1.9
294.08957	1.6
295.09729	8.9
296.10394	2.5
307.09683	2.5
309.11404	1.6
314.07846	1.7
320.06754	1.9
322.12225	2.2
323.12808	3.6
327.08673	13.0
328.09250	4.8
337.14438	21.6
338.15149	8.8
340.09460	3.2
349.14401	14.3
350.15167	4.4
351.12106	1.8
357.09656	2.7
365.13776	3.5
369.20868	1.6
377.14233	6.5
379.15347	10.0
393.17145	3.5
395.20563	5.2
397.16556	11.1
397.21255	2.4
398.16605	1.8
407.14938	3.3
409.16544	12.8
410.17178	3.6
411.10712	5.0
413.21762	2.7
419.14767	2.7
425.16064	100.0
426.16443	14.2
434.22470	3.5
437.16000	59.2
438.16284	8.1
455.13235	3.8
455.22995	14.0
456.25128	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79805	1.3
59.01109	2.4
59.01382	23.9
65.65736	1.7
69.16164	9.2
69.16591	6.3
71.01376	9.4
73.02952	5.0
73.55450	1.2
74.49361	1.3
83.01384	1.6
85.02991	1.7
89.02448	3.0
96.96004	2.8
101.02462	6.2
102.39201	1.4
107.01453	1.4
112.91142	1.6
113.02456	1.9
116.07148	2.4
121.02980	1.7
133.02922	2.5
134.03700	2.0
135.04550	10.5
148.05296	1.9
159.04501	5.8
161.02429	2.7
161.04625	2.2
161.06137	1.7
162.02795	2.3
163.07617	3.0
171.04446	2.9
172.05307	15.1
173.06096	11.6
174.06909	1.8
177.03818	1.7
179.03462	4.5
185.06148	3.7
186.06958	2.7
187.03963	5.6
187.07660	16.1
188.04578	1.5
188.08311	2.6
189.09254	2.0
197.06053	1.8
199.03981	2.5
199.07616	2.3
200.04855	7.2
201.05589	7.7
214.06331	9.1
215.07121	61.6
216.07828	17.7
217.08591	12.3
233.15497	2.2
251.16344	1.8
265.08719	1.9
281.08228	3.6
292.07498	2.5
293.08221	2.2
294.08948	2.6
305.11850	1.8
307.09814	11.1
321.11279	38.3
322.11911	9.4
340.09653	1.8
347.13104	4.2
354.10947	6.8
359.13034	1.8
360.13153	1.6
366.11105	2.8
377.14008	2.2
381.13412	100.0
382.13553	8.6
393.13626	2.0
407.15045	16.8
408.15100	2.6
411.13205	2.5
419.14981	6.1
420.15555	1.8
425.16104	17.5
426.16495	2.3
435.22833	3.2
437.16000	11.9
437.77454	1.7
438.16669	2.3
455.18378	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	455.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05008	1.6
59.01382	20.0
61.98829	3.5
71.01387	6.3
83.01321	1.7
93.03411	2.1
101.02455	2.8
108.02186	1.7
109.02956	14.8
121.02949	31.6
121.06591	2.0
133.06566	1.9
134.03705	2.6
135.04552	9.0
137.02481	4.1
145.02922	5.0
147.04523	14.8
148.05272	5.4
149.06059	7.6
159.04474	2.6
160.05264	2.1
161.06094	1.8
162.06810	3.1
163.07555	2.0
163.90494	1.9
165.01927	2.8
175.07596	3.4
176.04755	4.4
177.01863	2.2
177.05550	9.5
180.04285	2.4
181.05069	3.9
191.07152	20.9
194.05753	7.2
198.66879	2.0
207.06572	4.3
213.05447	2.7
220.00108	3.5
223.07607	2.2
224.08353	2.1
225.05580	2.9
225.09120	3.0
236.06897	5.3
237.05440	3.9
238.06027	2.3
239.07106	5.1
240.04234	4.3
240.07892	2.2
241.05066	6.1
241.08681	3.6
247.05936	2.3
249.97696	3.8
250.06311	2.1
251.07082	4.6
252.07846	5.8
253.08655	4.9
254.05827	3.2
263.07071	5.9
267.06604	18.3
268.07385	39.8
268.10297	2.3
269.08148	39.7
270.05304	3.0
270.08710	5.4
279.06476	2.8
280.07367	27.6
281.08102	14.4
282.08768	5.2
283.09760	100.0
284.10388	15.4
295.06372	2.3
295.09698	38.1
296.07248	4.4
296.10425	17.9
297.07700	2.0
298.08322	2.2
299.09479	2.0
302.07797	2.5
310.08417	5.9
311.09155	6.4
314.07904	3.4
326.07791	3.9
327.08722	81.6
328.09485	44.7
329.10217	13.0
339.05246	2.3
339.08728	13.4
340.09622	12.1
341.09811	2.6
343.78735	1.8
357.09802	20.7
407.14896	2.6
413.25601	2.9
425.15909	5.6
437.15787	2.7
453.11374	2.1
478.80106	1.8
482.49701	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49091	0.8
59.01380	6.2
61.98817	3.6
64.52381	1.2
69.42734	6.6
71.01378	3.5
78.18911	1.1
89.02431	2.1
91.37627	1.0
93.03448	1.6
109.02936	1.4
121.02971	22.3
129.98576	1.0
135.04543	2.2
147.04538	7.3
147.28339	1.3
148.05284	2.5
149.06097	5.5
149.07129	1.0
160.05289	5.1
161.06023	2.8
162.03197	1.6
162.06833	2.9
163.07605	1.4
175.07632	8.8
176.04759	3.2
177.05560	15.4
180.04309	2.0
181.05054	1.2
191.07133	20.9
192.07573	1.2
194.05774	3.5
207.06621	3.4
223.07616	2.5
236.06795	2.1
239.07011	2.4
240.04303	1.0
240.07796	1.9
241.05110	3.0
241.08659	2.4
250.06154	1.1
251.07094	2.9
252.08037	2.4
263.07159	1.6
267.06598	13.5
268.07385	28.7
269.08145	26.0
270.05511	1.0
270.08734	2.4
272.07034	1.3
279.06671	1.8
280.07483	7.0
281.07977	2.1
282.08832	1.3
283.09741	47.2
284.10410	10.2
295.09659	5.9
296.10434	2.6
298.08517	1.3
299.09384	2.0
300.06332	2.0
302.08017	1.3
314.11588	1.6
326.07813	7.0
327.08731	100.0
328.09439	47.5
329.09955	5.7
339.52954	1.0
340.09372	2.1
357.09769	9.2
358.10471	2.0
407.15082	1.8
437.15671	1.3
455.26410	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40652	0.4
56.24784	0.5
56.45663	0.4
59.01385	4.2
61.98830	100.0
71.01384	1.3
74.55386	0.4
81.03473	0.9
86.84235	0.4
87.00867	0.4
98.97556	0.5
125.02466	0.5
134.03717	0.5
135.04549	0.6
137.46747	0.4
147.04550	0.9
156.75475	0.5
161.02431	0.5
165.58162	0.6
175.03996	0.6
177.01930	0.7
178.02698	0.6
179.03311	0.7
191.03555	1.7
241.10114	0.5
270.63684	0.4
279.06747	0.9
315.50562	0.4
322.08530	1.9
381.41147	0.6
393.17026	5.2
411.18271	1.1
431.24750	0.4
455.26501	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.0976
Annotation	Flavine mononucleotide (FMN)
Peak:m/z	Relative Intensity
53.45885	0.3
58.21307	0.3
59.01369	0.7
69.54527	2.0
71.01389	1.0
71.50125	0.3
78.95905	79.5
91.18266	0.3
96.95972	2.6
96.96964	100.0
98.20621	0.7
101.53516	0.3
104.93105	0.3
115.00378	0.6
121.02904	0.4
125.42275	0.3
130.70293	0.3
131.07123	0.9
133.01407	0.5
134.03734	1.1
135.04549	0.7
138.98022	3.5
149.06021	0.5
151.03989	0.8
160.01630	0.4
161.02415	1.0
165.05571	0.6
169.07698	0.4
175.04036	0.7
176.04817	0.7
177.05528	0.4
180.99095	0.6
184.08830	0.7
191.07158	0.9
193.05104	1.7
198.06693	1.5
199.00142	12.0
199.02005	0.6
212.08253	5.0
213.01685	10.6
213.08614	0.4
236.06834	0.7
241.07297	4.3
251.05547	0.6
251.09235	2.0
255.08897	5.3
267.06543	0.6
277.05206	0.3
295.06058	1.1
321.03790	0.4
326.49515	0.4
339.05069	4.8
357.12265	0.4
412.18494	0.4
437.08838	0.4
455.09677	23.2
456.09985	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10877	0.3
53.38497	0.4
53.38803	0.3
58.08653	0.3
59.01382	1.3
59.59699	0.3
61.98831	100.0
69.69030	2.2
71.01390	0.5
83.09229	0.4
98.44711	0.3
102.98595	0.4
163.20128	0.4
166.37602	0.4
176.03558	0.4
178.02974	0.4
206.11993	0.4
228.16106	0.4
280.06485	0.4
281.20908	0.4
298.97903	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3374
Annotation	3-Oxoolean-12-en-27-oic acid
Peak:m/z	Relative Intensity
56.79176	1.1
69.92059	4.6
74.41868	1.1
80.02670	2.9
81.03451	1.3
93.03480	2.9
94.17709	1.2
95.05028	8.0
106.04243	2.6
107.05015	4.7
109.06591	13.5
123.08140	1.1
365.28516	3.6
381.31656	2.0
407.33026	1.7
409.34735	89.2
410.35059	13.7
413.30582	1.4
453.33734	100.0
454.34140	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	453.3373
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
69.44740	3.2
75.19157	0.4
98.82247	0.4
125.13173	0.4
263.91690	0.5
379.30066	0.8
409.35028	0.7
453.33722	100.0
454.34064	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52584	0.9
56.07842	0.8
57.03451	1.6
57.34446	0.8
59.01111	1.6
59.01384	24.8
61.36920	0.8
61.98819	2.5
70.98570	2.1
71.01385	13.6
72.00897	3.7
73.02942	1.5
83.01385	0.9
85.02933	4.9
89.02444	9.6
93.03449	0.9
95.01393	1.5
96.96002	2.1
99.00835	1.3
100.00412	12.5
101.02447	8.8
105.03473	1.0
107.05067	1.1
109.02936	3.8
113.02465	4.7
119.03487	3.6
121.03012	1.0
123.04510	2.7
132.02095	1.0
133.02960	17.5
134.03706	3.5
135.04530	100.0
136.04832	4.2
137.02411	1.9
137.24922	1.0
146.03711	3.2
147.04478	1.8
148.05222	1.3
149.04807	1.1
149.06004	1.5
150.05595	3.2
159.04503	3.0
161.02444	58.7
161.06038	1.8
162.02768	1.9
165.01917	0.9
165.05560	1.0
172.05267	3.3
173.06126	2.4
175.03995	1.5
175.07594	3.0
176.01060	0.9
176.03502	4.4
176.04855	1.7
177.01860	2.1
178.05077	5.3
179.03485	2.9
181.05157	1.2
187.04031	1.6
187.07646	20.5
188.04745	1.4
190.05098	1.6
191.02229	1.1
200.04810	1.1
201.05540	3.0
202.05022	4.3
202.06363	4.1
203.07121	2.0
203.10765	1.6
204.06566	2.0
204.10278	1.1
205.08606	2.6
212.07149	2.6
213.09134	3.5
215.07127	2.1
216.06636	7.5
217.07193	1.4
218.08186	8.3
222.03966	2.2
227.05754	1.8
228.10294	1.0
229.08722	1.7
230.04561	5.0
230.08232	7.2
230.11784	5.6
231.10455	6.0
244.06004	1.7
244.09727	4.1
245.06911	17.9
246.07303	1.2
246.11330	2.0
248.12849	2.0
249.06360	1.0
256.09845	6.0
257.08121	2.0
259.08365	1.6
274.10849	58.5
275.11295	5.0
292.11868	5.9
318.09821	48.6
319.10086	5.4
366.13428	1.3
392.15067	2.0
410.12183	2.8
454.15158	28.4
454.21243	1.5
455.15582	3.4
455.22833	43.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
59.39641	1.8
61.98865	1.8
69.27991	11.3
69.28406	5.6
120.83871	1.8
161.09676	2.6
175.06134	2.4
179.10774	5.2
210.47078	1.8
258.68500	1.8
277.21738	2.8
283.20651	6.4
301.21500	2.5
319.22836	8.7
431.77487	2.2
453.28680	3.4
455.59436	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
59.95773	0.9
60.01715	1.5
61.98820	1.6
70.99956	1.9
71.00316	1.4
79.10289	0.9
91.04002	1.8
111.78614	0.8
175.14790	1.3
186.64320	0.9
201.12802	2.0
207.92766	1.0
219.13892	1.4
283.20697	3.1
301.21707	5.4
301.24734	1.0
319.22754	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	453.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88305	0.5
54.23093	0.5
55.01880	1.6
58.00587	1.5
59.01380	100.0
60.01733	0.7
61.98829	10.0
69.03458	1.5
71.01382	40.5
72.01732	0.7
72.99313	1.1
73.02947	59.5
74.03285	0.9
75.00842	0.7
82.02987	1.4
83.01389	16.5
85.02937	4.5
87.00879	0.9
89.02443	9.0
89.88666	0.6
95.01408	1.5
97.02956	1.6
99.00904	1.3
101.02442	52.4
107.05048	2.3
113.02446	14.1
119.03510	3.6
121.02957	0.6
123.04535	0.5
125.02451	2.0
131.03487	5.0
133.02969	1.1
134.03789	0.9
135.04526	12.8
135.05513	0.8
136.04958	0.7
136.28090	0.6
137.02512	1.1
143.03510	4.7
143.10802	1.7
148.04065	3.9
148.05080	0.6
149.04611	5.4
150.05598	4.7
150.09256	0.8
155.03505	1.4
157.12428	0.5
159.04442	0.7
161.02522	3.6
161.04550	11.7
163.04135	0.7
172.05028	0.6
173.03648	1.7
173.06146	0.6
174.03180	1.6
174.04439	3.8
174.05653	0.7
175.03993	1.3
176.03554	1.8
177.01961	1.1
178.02681	0.7
187.03929	0.9
187.07762	1.3
187.14935	8.5
189.06703	1.2
189.09286	1.3
190.05119	0.6
190.07491	3.7
191.08200	0.6
201.01927	0.8
202.06284	0.9
203.05627	1.0
207.52072	0.6
215.07219	0.6
218.02274	0.9
219.03049	1.8
220.02586	0.6
221.06602	1.4
231.07898	1.3
231.10440	5.7
231.13884	33.7
232.08484	4.9
232.10373	0.7
232.14288	1.9
240.24377	0.6
244.08540	0.9
249.11414	1.0
275.09164	0.7
275.68307	0.6
285.08746	0.9
286.09628	0.8
299.13998	2.4
318.09662	0.8
367.21225	2.6
382.17746	5.7
391.17807	1.4
394.17798	0.9
436.18906	2.2
453.11957	2.7
453.21286	6.0
454.10898	0.9
454.13821	0.5
454.19989	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	453.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.9
57.03442	1.8
58.69344	1.0
59.01378	100.0
61.98815	1.3
69.03428	1.6
69.26363	2.7
69.26788	6.8
71.01379	30.7
72.99315	1.2
73.02944	40.4
75.00869	1.2
83.01395	11.8
85.02962	4.6
87.00867	1.1
89.02445	9.2
95.01412	1.5
101.02436	41.8
103.04005	17.6
107.05008	2.5
109.02998	1.8
113.02444	12.2
119.03486	2.6
122.03744	1.2
123.04567	1.2
125.02418	2.0
131.03496	3.5
133.01390	1.3
133.02948	4.7
134.03752	3.9
135.03000	1.9
135.04524	26.1
137.02449	3.9
137.05969	1.2
143.03548	2.6
148.03885	1.0
149.04553	4.0
150.05588	3.2
155.03493	2.3
159.04497	2.4
161.02458	9.8
161.04562	7.3
161.05838	1.6
173.02480	1.3
173.06094	1.7
174.03186	3.8
175.03993	3.7
176.01053	1.2
176.03548	5.4
177.01912	2.9
177.04225	1.3
178.02718	2.3
178.05078	4.2
179.03474	4.3
181.05083	2.7
187.04027	2.4
187.07635	4.0
189.04390	1.2
189.09198	2.3
190.04997	2.0
201.01849	2.5
202.06433	2.3
203.07185	2.3
205.08752	1.6
213.09213	1.0
215.07304	1.2
218.02194	2.0
219.02931	3.7
231.02937	1.5
231.10257	12.1
231.13939	1.2
249.11128	1.2
249.14992	1.1
255.16116	1.4
267.06564	1.9
271.06168	2.3
275.09277	1.9
291.16116	1.9
293.04724	1.9
311.05609	2.2
312.08917	1.1
318.09891	2.3
373.16467	1.9
381.09622	2.7
417.21188	1.7
453.12216	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	453.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91952	0.5
55.01884	1.7
57.03446	2.0
58.00604	1.8
58.88993	0.5
59.01378	100.0
60.01724	0.7
61.46936	0.5
64.56890	0.6
69.03449	1.2
69.70640	0.9
69.71053	2.3
71.01381	44.4
72.01714	0.5
72.99312	2.8
73.02945	34.3
75.00869	1.2
78.54329	0.4
81.03453	0.9
83.01388	11.6
85.02949	12.2
86.68912	0.5
87.00873	2.5
89.02446	21.5
95.01401	2.5
96.95987	0.7
97.02971	1.8
99.00884	2.1
101.02441	43.7
102.02809	1.0
109.02974	0.7
113.02451	18.2
114.02817	0.6
119.03505	8.9
125.02478	1.1
131.03497	2.9
133.02959	1.4
133.99162	0.5
134.03770	0.7
135.04526	7.3
137.02431	0.8
137.09714	1.3
143.03487	4.7
147.04565	0.5
148.03984	0.6
149.04549	2.2
155.03563	0.9
161.02434	2.0
161.04549	7.7
164.68156	0.5
175.04025	0.6
176.03551	0.5
177.01949	0.8
178.02731	0.5
179.03506	1.8
179.05676	1.0
181.05069	0.6
187.07677	0.9
187.14905	2.2
189.09209	0.5
203.07202	0.5
203.10780	0.9
205.16010	0.5
217.70180	0.5
231.10489	2.9
231.13879	28.2
232.14270	2.0
249.14944	1.7
274.10785	1.7
318.09747	2.0
373.16599	2.2
393.19189	18.1
393.24289	0.8
394.19519	1.5
409.13065	0.6
411.20245	11.5
412.20627	1.1
453.11758	1.1
453.21259	28.8
454.15302	1.0
454.21664	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.8
58.00593	1.2
59.01378	100.0
60.01721	1.3
61.98830	11.6
69.03468	1.6
69.76260	4.1
71.01382	36.0
72.01736	0.9
72.99325	1.7
73.02944	61.1
74.03268	0.9
75.24673	0.6
83.01384	16.5
85.02942	6.8
85.84715	0.8
87.00885	1.2
89.02448	7.4
89.77417	0.6
92.16195	0.7
95.01385	1.5
97.02953	1.7
98.20504	0.9
98.38594	0.7
99.00858	0.8
101.02441	50.9
102.02792	0.8
107.05022	1.4
109.02990	0.9
113.02451	13.4
119.03504	3.9
123.04560	0.8
125.02454	2.0
130.23648	0.6
131.03516	4.4
133.02965	1.4
135.04530	12.6
137.02463	0.9
143.03497	4.4
143.10823	2.1
148.04079	3.4
149.04643	4.4
150.05643	3.4
150.07516	0.7
155.03548	0.8
161.02444	2.7
161.04556	11.2
174.03174	1.5
174.04422	3.2
175.03978	1.9
176.03574	2.1
177.01862	0.9
187.07648	1.9
187.14937	7.0
188.15384	1.0
189.09235	1.2
190.07405	3.7
202.06335	1.1
203.05673	1.4
207.83598	0.7
218.02237	0.7
219.03011	1.9
221.06709	1.2
230.69563	0.7
231.07811	2.4
231.10280	5.9
231.13866	31.7
232.08566	3.9
232.14120	3.3
244.08566	1.4
244.57306	0.7
275.09372	1.3
286.09656	1.0
293.04599	0.8
299.14084	1.6
324.13678	1.8
332.26782	0.7
367.21365	1.6
382.17682	6.1
391.17691	0.8
453.12097	1.6
453.21271	6.7
454.19855	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1797
Annotation	Geijedimerine
Peak:m/z	Relative Intensity
54.15095	0.5
59.01378	11.7
61.98835	1.2
69.69958	0.4
71.01387	4.6
73.02953	1.2
79.95737	14.6
80.96507	1.5
82.42754	0.5
85.02962	1.4
89.02429	2.2
95.66693	0.5
95.95224	2.2
96.96010	100.0
97.06568	0.5
98.19888	1.4
100.00408	1.3
101.02460	2.9
111.96690	0.4
113.02432	2.0
122.97588	0.6
124.01611	0.5
133.02927	1.8
135.04524	10.6
147.04468	0.7
147.08087	0.5
148.05521	0.5
151.07692	0.8
152.08423	1.0
153.09186	0.8
159.04520	0.8
161.02466	6.7
161.04543	0.9
161.09676	0.6
175.03914	0.6
176.03433	0.6
177.01843	1.0
178.05067	0.5
179.03442	0.6
187.04012	0.8
187.07660	2.4
187.11298	0.8
202.04955	0.9
205.08720	0.6
216.06996	0.5
217.05307	0.7
218.08171	1.0
219.03047	0.9
230.08084	0.6
231.02875	1.8
231.10164	1.6
231.13898	1.6
233.03163	1.0
241.00235	1.8
242.26808	0.5
245.06966	1.5
249.14900	1.8
257.08380	1.0
273.11658	36.3
274.10764	6.5
275.13220	2.0
291.12247	0.5
318.09824	5.8
373.16379	0.6
453.17795	98.2
454.18808	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	453.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.3
57.03420	0.7
58.00592	1.3
59.01381	100.0
59.95011	0.8
60.01719	1.3
61.98840	1.1
66.79228	0.7
69.03445	1.1
69.52727	5.6
71.01383	34.7
72.99302	1.6
73.02950	34.4
76.35591	0.8
83.01386	9.9
85.02944	6.5
87.00877	1.6
88.71637	0.7
89.02441	10.5
91.05526	1.0
97.02941	1.2
98.20663	0.8
99.00902	1.8
101.02443	36.1
107.05048	1.5
113.02442	9.3
119.03480	4.9
131.03549	1.9
133.02975	1.3
134.03741	0.8
135.04520	13.5
137.02451	1.5
143.03543	2.4
147.04620	1.0
149.04610	1.7
159.04544	0.9
161.02478	3.1
161.04578	10.4
161.13452	0.9
174.03261	2.2
175.04022	1.6
176.03561	1.9
177.01868	1.1
178.05083	1.0
179.03522	1.9
187.04053	1.4
187.07687	0.9
187.14922	9.3
188.15263	1.2
201.01958	0.9
201.27899	0.7
202.06549	1.4
203.07161	1.7
203.33743	0.8
205.15968	18.5
206.16325	1.5
210.91040	0.7
218.02332	1.3
219.03021	1.4
231.10324	4.4
231.13849	5.5
247.17143	0.8
249.14937	1.9
271.17123	1.1
275.09378	1.0
311.05725	0.8
367.21417	2.5
391.17789	1.9
393.19403	0.9
453.12097	2.6
453.21176	9.0
454.21112	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.0463
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71124	0.7
59.01381	35.5
59.67708	0.8
61.98830	11.2
70.42731	0.8
71.01378	22.6
71.52062	1.0
72.03894	0.7
72.99306	4.5
73.02945	3.1
75.00879	1.6
79.95741	1.1
85.02960	2.3
87.00871	1.3
89.02435	3.7
96.96012	15.1
99.00896	1.4
101.02435	3.5
106.06630	3.0
113.02445	2.1
115.00375	42.5
119.04992	1.1
122.98309	0.7
124.01667	1.5
125.02451	1.3
133.01433	67.7
134.01773	1.7
134.03729	0.9
135.04488	3.1
137.02451	2.3
149.02414	1.0
150.05627	1.9
159.04367	0.9
160.04057	0.8
161.02391	4.7
161.04533	1.2
162.02873	2.3
163.04039	1.3
175.04018	0.9
176.01086	1.2
177.01921	1.6
179.03481	1.0
186.05550	1.3
187.04059	1.4
187.06023	1.0
187.07669	1.7
189.02022	0.8
189.04195	4.3
190.04832	3.6
191.05080	1.5
195.05060	4.8
202.06398	1.0
203.05327	0.9
207.04503	1.9
207.98369	3.0
208.99101	4.5
209.06047	4.4
219.02719	0.8
219.04558	5.5
220.05157	1.5
221.06010	1.2
223.03973	1.6
231.10211	2.3
233.03210	4.2
234.03618	2.7
235.03923	5.2
236.04721	2.7
237.05569	14.5
238.05995	1.0
247.04030	3.8
248.04797	10.6
249.05405	2.3
251.03506	10.5
252.03516	2.1
261.05341	0.9
263.03464	4.1
264.04303	29.1
265.05038	23.7
266.05560	1.7
276.04312	2.2
291.03024	3.6
291.08719	1.8
292.03677	2.4
293.04565	91.9
294.01633	3.5
294.04907	9.1
295.02335	1.8
299.26047	0.8
318.08612	1.0
319.02533	3.7
337.03540	100.0
338.03821	11.1
347.12991	1.5
350.10629	1.0
356.09790	1.6
365.06439	1.4
365.13910	1.2
377.09116	0.9
391.11948	1.1
392.11395	13.9
409.12979	3.5
410.12442	5.2
411.16840	1.6
411.21933	1.8
452.33258	2.4
453.12894	12.2
453.18442	1.1
453.33487	1.2
454.14017	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2782
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
62.96400	0.3
69.06425	0.2
69.27507	0.8
69.27933	1.0
78.95905	18.9
98.33038	0.2
104.97457	0.2
122.00139	0.7
122.98551	0.2
140.01180	5.0
144.83328	0.2
152.99561	1.7
166.02840	0.3
196.03793	8.6
196.05606	0.5
197.04103	0.4
205.67108	0.2
214.04832	2.0
217.58588	0.2
237.22217	0.3
255.23282	100.0
256.23627	8.7
256.26364	0.3
281.25778	0.2
305.04929	0.2
309.04178	0.2
316.34225	0.2
452.27811	23.1
453.28149	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	452.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37430	0.7
59.01383	20.8
59.01686	1.1
60.47930	0.7
61.76064	0.7
61.98831	100.0
63.88789	0.6
69.56786	0.7
71.01371	4.4
71.52044	1.0
73.02946	1.0
75.33727	0.8
85.02954	0.8
89.02481	0.7
101.02464	2.1
107.23540	0.7
113.02423	1.1
114.10492	0.6
115.00376	1.6
133.01399	0.9
133.02988	1.5
134.03741	3.0
135.04503	2.9
137.02458	1.2
161.04553	0.8
177.01917	1.0
178.02679	2.7
179.03322	2.4
181.92381	0.7
187.07648	1.2
189.09145	1.8
202.06462	1.4
217.08734	0.8
231.10242	7.9
303.18137	1.1
335.15143	1.4
353.25876	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
57.53014	13.4
69.62354	70.3
71.01377	36.2
78.95895	21.0
81.57977	14.1
92.81887	13.3
98.20715	24.6
100.48698	16.1
104.05204	14.9
115.92064	100.0
128.76631	13.0
136.24060	14.8
137.62016	15.0
152.99611	14.8
218.94958	15.1
253.21860	35.5
255.23216	66.7
263.23615	17.8
277.21588	22.0
307.22775	43.5
429.99371	16.8
451.24292	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	451.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09707	0.3
56.72231	0.4
78.95904	14.5
82.41340	0.4
84.21870	0.5
86.62432	0.4
87.37005	0.4
88.08940	0.5
98.20686	0.9
107.76039	0.4
110.98539	10.6
160.73268	0.3
167.01160	12.7
185.02217	2.7
283.26422	100.0
284.26740	8.0
417.84189	0.5
451.28290	21.4
452.28513	2.4
455.63812	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76256	0.1
58.02980	0.2
59.01373	0.5
61.98815	0.1
70.43994	0.2
70.44348	0.3
71.01390	0.2
80.05067	0.3
81.03459	8.6
83.05028	25.2
84.05351	0.6
98.53701	0.1
100.07716	0.1
107.06152	0.9
107.08975	0.1
108.04565	0.9
125.07212	3.0
126.05599	0.5
135.04482	0.2
137.02513	0.1
143.08263	1.4
157.13351	0.1
161.02492	0.1
174.36815	0.1
188.21448	0.1
189.04289	0.2
207.15010	3.3
208.13396	0.2
208.15344	0.2
224.17685	4.6
225.16077	12.3
226.16461	0.8
233.03233	0.2
242.18724	1.8
250.15601	0.5
255.03052	0.3
256.03238	0.1
268.16586	0.2
271.02393	0.2
283.02551	0.2
285.03488	0.2
290.22427	0.3
306.21933	0.2
307.23987	0.3
309.21677	0.6
324.26489	1.6
325.26956	0.2
333.22958	3.8
334.23141	0.4
339.27463	0.2
351.24136	1.1
367.27097	1.2
377.58884	1.0
378.09052	0.3
385.28271	0.2
406.30331	0.1
433.31863	5.9
434.31976	0.7
451.32883	100.0
452.33194	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	451.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25696	0.9
59.01371	10.1
59.71570	1.1
68.55921	0.9
69.32248	8.2
71.01366	2.2
84.18399	0.9
91.88526	0.9
96.96017	1.5
98.20686	2.0
106.96010	0.9
109.02954	100.0
109.06579	1.3
110.03291	3.5
113.93552	1.0
117.31606	1.0
119.04989	1.8
121.02936	3.6
122.03743	1.5
123.68797	1.0
128.15762	1.0
133.01337	1.3
133.02946	1.3
135.04521	3.6
137.06104	11.6
163.03963	2.9
164.07098	1.3
181.05055	5.3
191.05629	1.1
196.70071	0.9
225.04048	20.3
389.05579	2.4
451.08923	1.3
469.95779	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02979	12.8
58.99608	6.6
59.01381	35.2
60.01704	2.4
61.98838	29.0
69.34930	1.3
71.01373	11.1
71.51717	1.1
71.52103	2.2
73.02948	3.9
74.02477	26.2
81.04576	1.3
82.02991	2.4
85.02962	3.6
85.04084	1.6
86.02483	13.9
87.05630	2.8
89.02460	6.5
90.23085	1.2
96.96033	1.8
97.04065	4.7
99.05653	22.7
99.16051	1.3
100.00380	3.8
101.02435	5.8
101.07223	3.0
102.00205	1.9
102.05582	2.4
105.99688	4.1
107.06178	1.4
109.04089	3.1
110.61793	1.5
112.04081	2.8
113.02486	3.4
114.00233	2.2
119.03452	2.0
125.02454	1.8
125.03558	2.9
127.05162	3.4
128.03548	83.2
129.03827	2.6
129.26237	1.3
133.01341	1.4
133.02945	5.0
134.03702	1.6
135.04533	4.0
135.05644	6.9
137.02386	3.7
137.07162	3.1
138.05626	3.7
141.06673	2.5
143.04625	100.0
145.06197	3.2
146.04614	12.3
147.89595	1.4
153.06673	5.8
161.02473	13.6
161.04550	4.5
166.09868	3.9
167.04633	2.9
167.08293	6.6
170.03430	1.8
171.04155	2.0
171.07787	2.3
175.01862	2.8
178.02769	1.6
179.04654	22.6
181.06215	3.5
185.05664	3.4
189.05493	1.8
192.07843	2.1
197.05687	4.6
208.22914	1.5
210.08804	23.4
243.02911	3.4
254.07825	53.6
255.02939	3.8
255.08203	2.3
271.02518	10.7
272.08893	93.2
273.09201	4.3
286.05011	1.5
292.47452	1.5
299.01880	1.6
300.02707	16.6
304.06058	21.2
304.12048	2.9
321.14737	2.2
390.22150	8.6
407.11371	3.1
432.18396	2.0
450.19162	24.1
451.10376	15.3
451.19830	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	450.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	13.6
60.01692	1.4
60.51360	0.6
61.01809	2.1
61.98832	100.0
66.84336	0.8
69.66668	4.2
71.01386	2.5
79.63727	0.8
89.02451	1.4
90.05768	0.8
93.08546	0.7
98.19859	0.9
101.33281	0.9
101.72517	0.7
109.02953	1.6
113.02460	1.2
115.33283	0.8
120.89752	0.8
133.01422	1.6
137.02478	8.0
138.25343	0.8
153.01904	0.7
271.93607	0.9
277.10825	0.8
283.58051	0.9
285.84052	0.7
314.61865	0.7
352.49826	1.0
436.42471	0.9
438.38492	0.8
441.61380	0.8
451.10361	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2754
Annotation	Eurystatin D
Peak:m/z	Relative Intensity
55.01859	1.2
57.03431	1.4
58.00581	0.7
59.01377	19.5
61.98826	0.4
63.09631	0.3
69.32291	2.1
69.32711	0.9
71.01380	11.7
72.99309	1.1
73.02949	3.7
74.47099	0.3
83.01399	2.3
85.02944	3.9
87.00873	2.1
89.02453	2.0
93.03457	1.1
95.01367	0.9
95.24139	0.4
97.02946	0.5
99.00871	1.1
101.02451	6.6
107.04890	0.3
111.00848	0.9
112.01630	0.5
113.02454	2.7
113.09726	0.5
115.00366	0.6
119.03481	0.8
119.05032	0.6
124.01644	0.4
125.02421	1.1
127.11318	0.8
129.01868	0.3
134.03726	0.4
135.04492	1.0
143.10677	0.3
159.04492	0.9
161.04602	0.4
161.06157	0.3
163.04071	0.5
173.06073	1.1
174.06815	0.8
174.89806	0.4
185.06053	0.4
187.03888	0.5
187.07629	1.1
187.46201	0.4
189.09181	1.3
191.05537	0.9
199.07780	0.7
202.06319	0.7
203.10895	0.6
231.10226	3.9
232.10736	0.4
241.21773	0.5
245.08282	0.6
269.21204	1.2
271.13425	0.4
275.09344	0.4
285.20670	0.5
287.22272	25.1
288.22531	1.7
301.24048	0.4
325.59003	0.4
329.23337	0.6
383.37689	0.3
387.14423	0.7
405.19284	0.5
431.26410	5.0
432.26572	0.5
449.27536	100.0
450.27936	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	450.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02979	12.8
58.99608	6.6
59.01381	35.2
60.01704	2.4
61.98838	29.0
69.34930	1.3
71.01373	11.1
71.51717	1.1
71.52103	2.2
73.02948	3.9
74.02477	26.2
81.04576	1.3
82.02991	2.4
85.02962	3.6
85.04084	1.6
86.02483	13.9
87.05630	2.8
89.02460	6.5
90.23085	1.2
96.96033	1.8
97.04065	4.7
99.05653	22.7
99.16051	1.3
100.00380	3.8
101.02435	5.8
101.07223	3.0
102.00205	1.9
102.05582	2.4
105.99688	4.1
107.06178	1.4
109.04089	3.1
110.61793	1.5
112.04081	2.8
113.02486	3.4
114.00233	2.2
119.03452	2.0
125.02454	1.8
125.03558	2.9
127.05162	3.4
128.03548	83.2
129.03827	2.6
129.26237	1.3
133.01341	1.4
133.02945	5.0
134.03702	1.6
135.04533	4.0
135.05644	6.9
137.02386	3.7
137.07162	3.1
138.05626	3.7
141.06673	2.5
143.04625	100.0
145.06197	3.2
146.04614	12.3
147.89595	1.4
153.06673	5.8
161.02473	13.6
161.04550	4.5
166.09868	3.9
167.04633	2.9
167.08293	6.6
170.03430	1.8
171.04155	2.0
171.07787	2.3
175.01862	2.8
178.02769	1.6
179.04654	22.6
181.06215	3.5
185.05664	3.4
189.05493	1.8
192.07843	2.1
197.05687	4.6
208.22914	1.5
210.08804	23.4
243.02911	3.4
254.07825	53.6
255.02939	3.8
255.08203	2.3
271.02518	10.7
272.08893	93.2
273.09201	4.3
286.05011	1.5
292.47452	1.5
299.01880	1.6
300.02707	16.6
304.06058	21.2
304.12048	2.9
321.14737	2.2
390.22150	8.6
407.11371	3.1
432.18396	2.0
450.19162	24.1
451.10376	15.3
451.19830	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	449.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30585	0.5
58.67110	0.5
59.01382	13.6
61.98837	3.3
66.49586	0.5
71.01378	4.4
71.51756	0.6
72.99334	0.8
73.02948	0.7
79.95741	14.1
80.96527	1.5
83.01429	0.7
85.02946	0.8
89.02455	1.8
94.98089	1.3
95.95213	3.2
96.96012	97.3
101.02457	2.0
113.02426	0.9
115.00382	1.6
119.03475	0.8
119.05034	0.9
122.97578	5.4
123.04464	0.7
125.02443	1.1
133.01433	1.8
135.04520	3.5
151.04056	0.6
159.04460	0.6
161.04529	0.8
163.03973	1.0
167.00180	1.7
168.58173	0.5
176.07120	1.0
211.02786	1.1
222.05933	0.6
241.01688	0.8
245.04498	0.5
259.06030	2.2
287.05673	2.8
287.08548	0.6
347.05170	0.6
389.17923	0.6
449.16928	100.0
450.17200	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2393
Annotation	Vanoxerine
Peak:m/z	Relative Intensity
55.01889	1.0
56.76484	0.8
57.03455	1.8
58.00606	2.2
59.01381	91.4
61.98829	7.6
65.15134	0.8
68.28615	1.0
71.01377	32.0
72.99329	3.6
73.02958	4.2
75.00886	3.5
80.94358	1.0
83.01389	2.5
85.02940	7.3
87.00910	1.6
89.02444	24.0
93.03443	1.9
95.01408	3.8
96.96010	3.6
97.06609	2.8
98.20696	3.3
99.00891	1.7
99.92545	1.3
101.02438	17.3
113.02457	9.4
115.00340	2.0
115.91077	0.9
115.92083	2.9
116.92868	7.3
119.03503	10.3
125.02425	0.9
133.01491	2.0
135.04546	1.5
138.01991	3.0
143.03566	1.1
143.04660	1.6
143.10785	1.2
151.07622	1.1
159.04541	1.7
161.04573	3.0
169.08746	4.2
179.05670	2.3
187.07973	1.9
187.09807	7.8
248.47954	1.0
269.04718	1.5
269.13950	2.2
269.17542	4.4
271.19092	2.5
283.01398	4.2
287.18774	2.4
389.21869	1.8
431.22974	3.6
449.24075	100.0
450.24536	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	448.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39194	1.1
51.72094	1.2
53.55262	1.3
58.02981	11.0
59.01381	23.7
59.23429	1.4
61.44049	1.2
61.98818	4.0
66.03474	2.1
70.84664	2.1
70.84995	2.7
71.01376	8.5
73.02956	2.1
74.02470	22.8
81.04597	2.6
82.02975	3.2
83.16322	1.4
84.29540	1.3
85.02952	2.1
86.02475	14.8
86.06150	1.9
87.05632	5.7
88.04012	1.8
97.04054	3.9
99.05641	26.1
101.02475	3.3
101.07214	6.4
102.05601	4.8
109.04053	5.9
111.03236	1.5
111.05644	2.4
111.72822	1.3
112.04042	4.4
123.05656	1.5
125.03561	4.2
127.05141	5.1
128.03543	75.2
135.05602	10.3
137.07124	1.4
137.40323	1.3
141.06682	4.1
143.04619	100.0
144.04938	1.5
145.06187	5.1
146.04610	10.7
148.04933	1.4
149.07149	2.2
153.06688	5.4
166.09827	4.4
167.04607	3.3
167.08252	8.5
171.04120	1.6
175.11641	13.4
179.04607	26.9
181.06158	2.0
185.05655	3.6
189.09154	1.9
192.07808	2.9
197.05670	6.2
210.08815	22.8
228.09766	1.7
244.09752	4.3
245.08124	1.7
254.07817	54.8
255.08109	3.1
272.08875	61.2
273.09247	2.4
319.16934	7.5
361.12619	1.5
387.14407	1.8
405.15692	1.5
430.20273	12.1
448.21234	67.6
449.21628	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	449.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82479	1.0
55.01881	1.0
57.03460	1.8
58.02985	1.6
59.01384	47.1
61.44561	1.3
61.98832	100.0
69.58935	6.9
71.01382	14.3
72.99315	3.0
73.02957	4.0
74.02475	4.1
75.00877	2.1
83.01392	2.1
85.02954	4.3
86.02496	1.8
89.02454	10.8
95.01400	1.2
97.04115	1.2
98.19899	1.3
99.05641	3.2
99.15213	1.1
101.02439	9.3
111.50916	1.1
113.02444	7.6
115.00365	1.3
119.03514	6.5
122.10853	1.2
125.02449	4.0
128.03557	13.6
133.02963	1.2
135.03033	1.2
135.05638	1.6
138.05618	23.8
143.03540	2.4
143.04608	18.2
146.04547	1.6
153.06648	1.8
159.04518	2.0
160.00700	1.1
161.04601	6.3
171.53430	1.1
175.04025	1.1
179.04546	2.7
210.08788	2.2
221.06395	1.1
243.06610	1.6
245.04657	1.4
254.07912	9.8
259.06140	2.9
272.08881	17.1
287.05594	4.2
304.06058	3.5
316.02179	2.0
320.11398	1.1
346.15775	1.1
366.16144	1.1
389.21844	13.0
390.22028	1.5
414.44592	1.1
449.11118	5.3
449.20355	4.5
450.11884	1.4
450.19266	5.0
465.33035	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3115
Annotation	Xestobergsterol A
Peak:m/z	Relative Intensity
54.12822	0.6
55.13280	0.7
58.89539	0.7
59.01386	3.4
60.69563	0.7
61.98831	0.9
70.86575	0.7
71.04675	0.6
71.05000	3.4
71.38980	1.1
78.95908	4.0
84.30272	0.7
99.00871	1.8
110.98517	2.1
112.05310	1.2
120.64864	0.6
167.01151	2.1
185.02223	0.9
243.99591	0.7
279.23291	22.0
280.23590	1.8
329.28391	2.5
329.68723	0.6
359.33127	2.0
365.65115	0.6
367.29996	2.1
385.31116	20.7
386.31442	2.8
403.32227	4.6
429.30081	13.1
430.30283	2.5
447.31110	100.0
448.31421	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	448.2121
Annotation	Hypognavine
Peak:m/z	Relative Intensity
58.02977	15.3
59.01381	17.4
61.98820	3.3
68.04993	1.5
69.50593	6.1
69.50998	2.8
71.01385	3.1
74.02468	27.4
81.04568	2.5
82.02947	3.4
86.02468	13.0
86.06083	1.7
87.05633	5.0
89.02464	1.8
93.03438	1.6
97.04060	3.2
98.19841	2.4
99.05045	1.8
99.05643	29.1
101.07201	3.7
102.05600	5.2
109.04069	6.2
111.05643	2.5
123.05666	2.2
124.46915	1.3
125.03568	4.4
126.04418	1.6
127.05134	4.8
128.03537	74.8
135.04607	2.6
135.05630	9.4
141.06654	2.7
142.42262	1.2
143.04619	100.0
144.04948	1.6
145.06186	3.5
146.04591	11.3
149.07153	1.3
153.06674	5.8
163.46722	1.5
166.09868	4.2
167.04573	4.7
167.08244	5.4
169.12366	8.0
170.03340	2.0
171.04047	1.5
175.11623	14.7
179.04626	21.8
181.06131	2.6
184.10873	1.5
185.05615	2.4
192.07776	3.0
197.05672	4.1
210.08832	23.5
228.09724	2.2
254.07832	56.9
255.08189	3.7
272.08881	59.6
273.09024	1.6
319.16922	6.3
385.80966	1.3
430.20236	11.0
448.21207	76.8
449.07709	1.7
449.21094	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	447.275
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47836	0.6
59.01379	2.8
69.74889	2.7
76.72898	0.6
78.95905	2.4
101.08348	0.6
105.03452	4.8
110.98515	2.2
117.03464	0.9
121.02994	1.0
129.43115	0.6
131.17168	0.5
132.02159	7.4
133.02962	21.6
134.03749	14.4
135.04547	5.6
137.02440	4.5
139.03992	1.5
145.02882	0.5
147.04488	0.6
148.05286	3.3
149.06087	1.4
150.03171	0.9
160.01660	44.9
161.02460	11.3
161.04878	0.6
161.06046	3.9
162.03200	0.6
167.01137	1.5
175.03999	100.0
176.04335	5.9
177.01964	1.0
178.02716	2.5
179.03511	3.1
185.02206	0.9
193.05049	6.9
204.11577	1.0
233.08118	1.8
247.09767	2.1
261.11313	1.1
271.22806	11.5
275.12921	1.6
279.23282	17.8
280.23618	1.3
289.14465	1.9
303.16043	1.5
317.17572	1.6
331.19241	1.3
345.20581	4.4
347.25940	2.0
359.22192	1.0
364.40704	0.6
403.32077	1.6
415.24942	8.3
416.25342	1.0
447.27469	72.9
448.27698	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	447.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
58.30068	0.4
59.01368	0.4
69.39709	2.8
78.95905	6.2
89.25565	0.4
89.30915	0.3
110.98548	4.5
163.01186	0.4
164.39386	0.3
167.01154	3.0
185.02203	3.2
261.22232	0.7
279.23282	100.0
280.23624	10.2
313.70911	0.4
329.28458	0.4
347.29044	0.4
393.05487	0.4
447.25180	6.0
447.31146	1.7
448.25717	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2599
Annotation	N-Acetyl-leu-leu-tyr-amide
Peak:m/z	Relative Intensity
55.01861	1.0
56.66245	0.8
57.03445	1.8
59.01382	50.0
61.28468	0.7
69.32638	6.0
71.01009	1.2
71.01380	17.4
72.99300	1.8
73.02950	3.9
83.01385	3.0
85.02955	5.7
87.00883	1.1
89.02441	2.1
95.01399	1.1
98.20663	1.5
99.00898	1.9
101.02454	7.6
111.00907	1.1
113.02444	4.8
115.00356	3.0
120.75684	0.8
124.01674	1.0
125.02420	1.1
125.09690	2.2
127.11237	0.9
135.04459	1.1
141.12836	1.4
148.34380	0.7
161.04500	1.6
168.80199	0.9
215.15646	0.7
234.57242	0.7
239.20227	1.0
243.16747	1.0
267.19595	1.1
271.37265	0.8
285.20724	26.9
286.21048	2.3
301.03510	0.8
313.23990	0.9
331.24896	25.9
332.25195	2.7
344.16156	0.8
387.19794	1.0
429.24863	5.4
447.25980	100.0
448.26358	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.5
57.25347	0.4
57.47796	0.4
59.01380	100.0
59.54252	0.4
60.01714	1.2
61.98839	0.5
71.01381	6.3
71.52174	0.3
72.99335	0.6
73.02949	2.2
75.02674	0.4
83.01414	0.5
85.02953	2.2
88.84232	0.4
89.02445	2.0
97.02946	0.4
99.00892	0.7
101.02432	4.7
113.02455	2.4
119.03510	1.1
133.01439	0.7
133.02980	0.5
135.04536	0.6
143.03542	1.0
161.04579	3.5
179.05644	0.4
211.13461	1.3
243.02873	0.4
253.04761	0.7
285.17239	0.7
285.20779	0.7
287.12784	0.4
387.23923	6.1
388.24127	0.8
407.02631	0.4
447.26114	4.5
447.31625	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2599
Annotation	N-Acetyl-leu-leu-tyr-amide
Peak:m/z	Relative Intensity
53.41958	0.4
55.01875	1.5
57.03432	1.4
58.00576	0.5
59.01380	27.7
60.01702	0.5
61.98827	7.9
69.03463	0.5
69.51842	1.7
69.52254	0.9
71.01383	14.2
72.99300	1.2
73.02937	4.3
75.00877	0.5
81.08942	0.4
83.01390	2.8
85.02955	6.5
87.00882	1.2
89.02435	4.1
95.01396	1.2
98.19865	0.4
99.00827	1.0
101.02442	8.3
102.21328	0.4
109.02952	0.5
111.00909	1.0
113.02457	3.9
115.00377	0.8
119.03489	1.0
125.02429	0.7
133.01418	1.0
135.04530	1.3
137.02438	0.5
143.03554	0.7
159.04572	0.6
161.04553	1.2
177.01921	1.1
178.02637	0.6
179.03458	0.6
185.11798	3.3
211.13377	1.8
237.18671	0.9
249.18706	2.5
253.04697	1.1
267.19647	4.3
284.06583	0.7
285.20688	16.8
286.21005	1.5
315.18250	0.6
400.41855	0.5
429.24805	3.3
447.09790	2.3
447.26010	100.0
448.26395	12.0
463.28745	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.275
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45237	0.9
55.61079	0.9
59.01371	1.4
59.88645	0.7
62.95788	0.7
78.95911	10.5
84.09818	0.8
93.95344	0.8
98.20776	1.6
105.03453	2.6
110.98504	5.8
115.33287	0.8
117.03448	0.9
132.02174	8.6
133.02959	23.0
134.03773	14.8
135.04524	4.9
137.02448	3.9
139.04001	1.0
148.05295	3.4
149.06073	1.4
160.00287	1.4
160.01660	44.4
161.02460	10.6
161.06113	3.0
167.01140	8.3
175.03999	100.0
176.04303	3.9
177.01910	1.0
178.02681	2.3
179.03532	1.8
184.18373	0.8
185.02293	2.1
193.05099	6.6
247.09750	2.3
261.11166	1.2
271.22778	12.1
275.13123	1.4
279.23282	62.7
280.23642	6.8
289.14426	1.9
303.15915	1.2
305.76120	0.8
317.17499	1.8
331.19287	1.8
345.20505	3.8
347.26022	2.1
373.27588	1.0
415.24921	10.0
429.30289	2.8
447.27484	74.0
448.27835	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	447.093
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02390	0.9
65.00309	2.3
68.59224	0.6
69.55231	3.6
78.21915	0.7
83.01386	0.9
86.82037	0.6
91.01923	0.8
93.03414	0.9
104.68887	0.6
107.01400	4.2
108.02159	1.3
109.02952	2.7
121.02939	3.2
125.02442	0.7
135.00848	1.1
148.01643	1.6
149.02435	1.0
151.00363	18.6
158.23563	0.6
159.04498	0.7
163.00371	4.7
171.04475	0.7
178.99870	9.2
183.04538	0.8
187.03984	1.3
192.00520	0.8
201.05507	1.3
203.03572	1.0
211.03952	2.5
215.03345	0.8
226.02663	1.6
227.03448	4.1
229.05095	1.5
243.02969	10.1
245.04520	2.1
254.02208	2.3
255.02977	27.3
256.03387	1.6
271.02460	53.6
272.02856	4.5
273.03973	1.8
283.02512	2.0
299.01846	1.3
300.02722	100.0
301.03476	75.2
302.03754	5.5
418.80008	0.7
447.09286	60.0
448.09586	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66536	0.3
53.67591	0.3
59.01393	0.4
62.96403	1.1
69.77358	1.6
78.95901	43.8
91.07582	0.3
96.96954	2.5
105.89967	0.3
112.17445	0.3
114.06429	0.3
149.00090	21.1
150.00374	0.4
158.92531	1.9
171.09837	0.3
179.01083	2.6
205.15916	1.6
219.10020	0.3
240.96724	0.6
241.06548	0.3
277.30457	0.4
284.48459	0.3
285.20401	0.3
325.21436	0.3
347.08185	0.5
417.12390	0.7
431.10126	3.1
438.00858	0.3
447.13391	100.0
448.13791	12.0
452.28568	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48138	0.6
59.01379	100.0
60.01698	0.9
63.31161	0.6
63.69769	0.6
70.58514	0.6
71.01379	8.9
71.51786	1.3
73.02971	1.4
74.32719	0.6
83.01387	0.8
85.02976	2.1
89.02450	3.5
89.65662	0.6
90.06266	0.8
101.02431	5.0
113.02468	2.6
113.44311	0.7
115.00375	1.0
119.03490	1.1
126.17803	0.8
135.04512	0.6
143.03534	0.6
161.04507	3.3
165.27721	0.7
202.08276	0.7
211.13416	0.7
225.15117	0.9
285.20746	2.4
331.24857	4.2
369.55536	0.7
387.20496	1.9
447.09515	1.1
447.26041	10.0
448.26358	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93904	0.6
59.01382	100.0
69.18488	1.3
69.18889	4.8
71.01401	4.9
79.41770	0.7
85.02950	0.7
89.02438	6.1
98.19943	1.4
101.02457	3.8
108.66581	0.6
113.02489	2.8
119.03530	2.6
123.91246	0.6
126.07396	0.6
143.03586	0.9
159.43076	0.7
161.04538	3.4
179.05659	1.1
189.12926	0.9
251.14905	0.6
301.64139	0.6
387.20270	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	447.2386
Annotation	Ugaferin
Peak:m/z	Relative Intensity
51.59254	0.4
56.28800	0.4
59.01379	4.9
61.98827	0.7
70.37174	0.7
70.37550	0.8
71.01392	1.0
71.55836	0.4
77.63691	0.4
89.02395	0.4
101.02470	0.4
103.49357	0.4
105.03410	0.6
107.05030	1.3
117.03475	1.1
121.02959	0.7
123.04578	0.5
132.02176	1.0
133.01923	0.9
133.02957	22.6
134.03781	4.7
135.04526	35.5
136.04852	1.6
137.02478	2.1
137.03456	0.4
139.04005	0.8
149.02444	0.8
150.03203	2.3
151.04027	3.3
152.99582	0.8
153.02019	0.6
161.02440	100.0
162.02806	4.3
175.69943	0.4
177.01981	1.9
177.50864	0.4
178.02696	0.6
179.03496	11.3
180.03764	0.4
188.55968	0.4
195.02948	1.7
227.03484	0.4
251.20128	0.4
255.03018	0.7
267.19595	0.8
271.02637	0.8
284.03271	0.6
285.04095	0.5
285.20694	10.2
286.21112	0.8
300.02612	1.0
301.03448	0.6
403.28531	0.5
429.22614	2.8
447.23819	73.1
448.24127	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02956	1.5
58.04085	3.5
58.77798	1.2
59.01385	12.1
61.98833	1.6
67.03001	2.1
70.44089	2.3
71.01382	11.3
72.43118	1.2
75.00870	1.1
78.95892	1.7
81.04566	3.0
82.02975	1.3
83.02509	7.6
83.06145	1.6
85.02939	1.9
88.34595	1.0
88.35158	1.0
89.02417	1.3
92.04520	1.8
92.05063	16.5
95.02457	1.1
96.74654	0.9
96.95999	2.1
102.05599	4.7
109.02895	1.6
109.04063	9.3
109.34785	1.0
115.00384	11.6
118.98067	3.3
119.03659	1.1
120.04561	3.7
121.02947	3.1
122.03779	1.3
123.04510	1.4
124.05193	1.6
126.06741	35.1
128.03543	29.9
133.01439	12.3
133.02983	1.6
135.02985	2.5
135.04541	36.6
135.05634	4.1
136.04027	2.2
136.04933	1.1
138.06737	2.8
146.04604	5.1
147.05644	11.5
148.04050	18.8
149.04402	1.0
151.06358	3.3
152.07184	33.6
152.08426	1.8
161.02310	1.4
162.09164	1.2
163.06204	1.3
168.69185	1.0
173.07117	2.2
177.10382	7.6
177.58028	0.9
189.10347	12.6
215.08272	2.6
221.09294	5.7
231.12447	2.3
233.09288	14.7
234.09685	1.3
247.00009	1.0
275.11505	35.4
275.14529	1.8
276.11752	3.2
284.09406	2.7
286.10828	11.1
287.11157	1.3
300.10986	3.3
317.13748	11.4
342.15741	1.2
348.15839	1.0
360.16751	14.0
361.17093	1.4
386.14828	5.0
404.15729	100.0
405.15976	9.2
428.17044	1.3
429.15335	10.5
430.15488	1.4
446.17877	78.4
447.05038	1.5
447.18030	9.5
447.89432	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78481	1.1
59.01382	12.0
61.98832	100.0
62.89383	1.0
69.89037	5.8
71.01395	3.1
73.02915	1.6
79.96161	1.1
85.02980	2.4
101.02428	2.9
113.02426	1.4
135.04430	1.5
166.40729	1.2
180.56554	1.3
192.32381	1.3
201.14116	1.2
211.13391	1.4
285.20642	2.5
314.97739	1.3
337.77499	1.2
340.12549	1.3
434.92297	1.3
446.24524	1.7
447.26035	16.5
471.43274	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
58.96851	0.5
59.01387	9.4
61.98834	1.2
71.01383	17.4
72.99311	1.8
73.02947	1.3
83.02535	0.7
89.02456	2.8
92.05070	1.3
95.08333	0.6
95.95222	1.3
96.96005	2.0
97.37473	0.6
101.02445	0.8
109.04063	0.6
115.00381	21.6
121.02937	4.9
122.03734	3.8
126.06736	2.6
128.03546	2.3
133.01436	26.9
133.02960	1.4
134.01828	1.0
134.03757	1.1
135.04526	100.0
136.04904	3.0
137.02451	1.6
139.07677	0.6
147.04547	0.8
147.05682	0.8
148.04070	2.0
149.02458	0.8
151.04042	0.8
151.06398	4.6
152.07172	85.0
153.07495	3.5
165.05573	2.0
177.10289	0.9
189.10355	0.6
233.09250	0.9
242.08310	0.8
275.11386	3.8
284.09451	1.4
285.03943	0.7
286.07715	1.2
286.10828	28.6
287.11169	2.8
296.12885	1.1
328.08478	1.0
330.09671	1.1
358.12897	1.7
360.16794	1.2
387.72330	0.7
404.15671	10.5
446.11816	1.2
446.17902	8.2
447.18375	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	6.9
61.98833	1.3
63.76074	0.5
69.63223	2.7
71.01381	17.5
72.99311	1.5
78.07074	0.4
79.95757	0.5
89.02443	1.4
93.03482	0.8
94.81684	0.5
95.95256	1.5
96.96035	2.2
97.72765	0.4
98.19952	0.8
101.02446	0.5
105.03466	0.6
107.05045	0.8
115.00375	24.2
116.00733	0.6
121.02966	5.4
122.03733	3.5
123.18211	0.6
124.01659	0.5
133.01431	37.7
133.02882	3.7
134.01746	1.1
134.03746	2.1
135.04526	100.0
136.04832	4.1
137.02475	1.1
139.80222	0.6
151.06395	5.8
152.07170	89.2
153.07538	3.1
154.02792	0.7
177.01941	3.7
178.02739	1.7
179.03484	1.5
191.44843	0.4
284.09763	0.6
286.10846	25.3
287.11243	2.2
310.39160	0.5
330.09735	1.9
396.31491	0.6
402.05661	0.7
407.32190	0.6
447.05237	0.8
458.09351	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	4.3
61.98825	2.7
65.35355	1.1
66.47374	1.1
71.01379	31.1
71.47424	1.9
72.99306	3.7
74.03754	0.9
77.25296	0.8
78.95913	1.5
80.58335	0.8
89.02454	3.0
108.63558	0.8
109.02927	5.1
115.00372	65.3
116.00737	1.8
121.02961	8.0
123.04539	2.5
128.61443	0.9
132.52705	1.1
133.01425	100.0
134.01784	2.8
135.02974	1.0
135.04514	10.5
146.35475	0.8
146.36714	0.9
147.04471	1.3
150.05592	1.0
151.04114	0.9
152.07144	4.7
161.02490	1.2
162.05592	6.7
164.07130	2.2
176.07175	2.0
190.04999	0.9
213.05573	2.5
241.05113	5.3
242.05847	31.3
243.06468	5.5
254.05795	1.1
255.06627	6.8
256.07266	1.7
257.08078	4.9
268.09726	1.3
284.09180	3.3
286.10825	54.5
287.11160	4.1
294.07959	1.3
312.08749	14.7
330.09799	53.2
331.09955	4.3
360.90482	0.9
446.10513	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	446.094
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43763	1.2
55.26741	1.2
58.99976	1.4
59.01382	40.2
61.98831	100.0
63.23301	1.4
71.01391	12.4
73.02946	9.9
75.00882	1.4
83.01380	3.3
83.05043	1.7
85.02969	1.9
87.00873	2.1
89.02428	2.2
91.05535	3.3
94.16360	1.4
97.06609	1.8
101.02436	5.6
113.02443	2.2
115.00404	1.8
115.05503	1.6
117.03455	9.6
124.98082	1.3
131.05028	5.2
133.01424	2.0
135.04514	4.6
137.02473	1.5
149.06091	8.4
159.04521	38.5
161.04579	1.5
177.01820	1.5
177.05537	7.0
185.19162	1.6
189.05539	3.9
225.11385	1.5
227.03549	3.2
229.91762	1.4
243.12334	7.2
255.03020	4.3
284.03198	3.9
299.01990	2.4
386.22705	1.4
447.09302	5.5
447.22009	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	446.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	51.1
61.98832	100.0
71.01378	14.7
73.02946	9.0
75.00880	1.7
78.85027	1.4
83.01378	2.1
83.05042	1.8
85.02966	1.6
87.00865	1.5
89.02470	3.1
91.05506	3.1
93.44558	1.4
97.06560	2.1
98.19839	2.1
101.02434	7.7
113.02442	4.9
115.00352	4.2
115.05534	2.8
117.03462	7.9
128.03528	1.2
131.05003	4.1
133.01405	4.0
135.04524	4.5
149.06094	7.4
159.04520	37.5
160.04872	1.4
161.04504	1.6
162.04968	1.4
168.14632	1.3
177.05571	7.1
179.03436	1.2
189.05545	4.1
191.95108	1.3
225.11247	2.3
227.03479	3.5
243.12379	8.8
251.48767	1.5
255.02965	4.9
271.02457	2.2
284.03265	3.9
285.03815	1.9
299.01901	3.6
387.20151	1.5
446.20575	1.6
447.09082	6.2
447.22168	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3323
Annotation	9-hydroxycerevisterol
Peak:m/z	Relative Intensity
51.23725	0.6
51.82524	0.7
57.03373	12.7
57.03679	1.4
59.01310	1.6
61.98774	1.4
69.03400	1.2
71.04946	5.9
84.62423	0.7
92.44649	0.8
93.03624	0.7
94.36921	0.7
161.02628	0.7
283.20651	0.9
315.26871	3.3
331.30142	0.9
343.29938	2.2
355.30191	0.9
367.30093	3.1
383.33167	100.0
384.33508	16.4
401.34439	1.8
427.32114	15.7
428.32651	1.7
445.33261	53.0
446.33536	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	445.332
Annotation	9-hydroxycerevisterol
Peak:m/z	Relative Intensity
55.82803	0.8
57.03434	2.8
59.01382	25.5
61.98815	2.1
67.57255	0.8
71.01382	7.1
71.09652	2.0
78.95917	1.3
101.21066	0.9
121.12897	0.9
164.41376	0.9
167.01173	1.2
313.25281	2.7
329.28610	0.9
330.77969	0.9
339.26834	2.3
345.31674	3.1
355.29993	15.7
356.30478	1.7
363.01233	0.9
371.29358	1.0
373.31235	9.0
374.31323	1.3
381.92181	0.9
383.33316	3.5
389.30533	4.9
401.30289	1.3
401.34854	1.0
427.32120	22.3
428.32574	3.0
445.33270	100.0
446.33551	16.1
446.39334	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2958
Annotation	Abeohyousterone
Peak:m/z	Relative Intensity
59.01379	4.0
61.98845	0.8
71.01377	1.7
96.49342	0.8
99.00912	1.3
121.02946	1.2
148.76646	0.8
181.76346	0.7
373.27536	1.9
383.29593	11.2
384.29858	1.5
389.27234	1.7
393.67139	0.8
401.30594	30.9
402.31076	3.8
438.44260	0.8
445.29602	100.0
446.29944	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	445.2957
Annotation	Hyousterone B
Peak:m/z	Relative Intensity
56.38928	0.4
59.01367	1.6
65.75993	0.4
71.01389	1.0
74.85811	0.4
78.95894	1.3
95.23566	0.4
108.86132	0.4
110.98517	1.0
166.99652	0.3
167.01149	1.5
185.02188	0.7
190.59415	0.4
229.26036	0.4
277.21735	5.9
278.22195	0.5
355.26273	0.4
373.27301	1.2
383.29526	11.8
384.29593	2.2
401.30573	32.4
402.30881	4.6
427.28891	0.6
445.29550	100.0
446.29907	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	445.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44830	0.2
59.01377	1.8
69.03422	0.2
69.20404	1.8
71.01380	0.7
75.31593	0.2
77.03940	0.2
78.95902	9.1
83.05025	0.5
93.03404	0.3
95.05048	0.3
97.06606	0.3
99.21478	0.2
104.97476	0.3
105.03464	1.3
110.98528	6.4
119.05019	0.3
120.79797	0.2
121.02948	0.3
127.07631	0.3
132.02159	0.6
133.02957	8.5
134.03818	1.3
135.04460	0.3
136.01665	0.4
137.00198	0.2
137.02428	1.3
139.04004	0.3
146.39595	0.2
147.04443	0.2
150.03197	0.2
152.99635	0.3
160.01660	2.1
161.02409	0.9
161.06088	0.4
167.01149	5.2
167.14438	0.5
175.04002	1.3
175.96654	0.2
177.01932	1.6
178.02754	1.1
185.02199	4.7
193.05043	0.7
198.63425	0.2
224.26018	0.2
233.22707	0.2
246.12621	0.2
259.20737	0.4
275.20142	0.4
277.21701	100.0
278.22070	9.3
278.25256	0.2
302.07263	0.2
329.28629	0.2
341.28391	0.3
357.31775	1.0
359.18314	0.2
373.27698	0.4
383.29529	2.2
384.29849	0.3
401.30597	10.3
402.30933	1.6
430.23520	1.5
445.24637	7.8
445.29544	25.0
446.24994	1.4
446.30655	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	445.244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01934	5.0
56.11956	4.5
58.87362	4.8
59.01378	100.0
61.98832	9.1
71.01379	67.0
72.99294	5.2
73.02969	9.0
83.01383	7.9
85.02955	14.7
86.66416	5.4
89.02444	60.8
98.20642	18.3
101.02445	41.8
109.98779	6.5
113.02441	20.0
119.03480	38.0
121.02917	10.5
131.03493	6.5
135.04469	8.6
137.32195	4.8
143.03471	12.1
160.75537	5.6
161.04549	19.0
179.05608	17.7
229.24074	6.5
238.41768	5.9
399.23886	6.5
445.25732	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	445.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88999	0.5
59.01373	1.4
70.37835	1.7
78.95904	19.6
104.97528	0.6
110.98536	13.3
124.59596	0.5
163.06865	0.4
167.01140	14.0
185.02223	3.9
207.35170	0.5
248.38625	0.5
259.20779	0.6
277.21719	100.0
278.22064	8.7
283.87921	0.5
366.08929	0.6
401.30545	0.8
445.23672	15.5
445.29449	1.2
446.24011	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.1
66.04772	0.3
71.29555	1.0
78.95904	6.6
85.21732	0.3
86.39761	0.3
98.55672	0.4
110.98531	4.5
129.64957	0.3
144.63017	0.3
144.64182	0.4
149.38393	0.3
152.99567	0.4
167.01128	2.9
185.02205	4.7
200.13374	0.4
228.10982	0.3
274.95593	0.4
275.20245	0.6
277.21707	100.0
278.22067	9.8
349.92801	0.4
445.23660	6.2
445.29785	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29961	0.6
55.05576	0.7
59.01376	27.5
61.98833	1.6
69.35931	5.2
71.01378	5.2
73.02947	7.6
76.26205	0.7
78.37598	0.6
85.02967	0.8
89.02438	1.9
90.93111	0.7
93.03472	0.7
98.19971	1.3
101.02439	3.2
103.00367	1.5
108.02175	0.7
109.02957	10.2
113.02459	2.3
115.04005	1.0
117.03485	0.9
119.03515	1.3
121.02991	1.9
133.01434	1.4
133.02948	1.4
134.03709	1.2
135.04527	19.7
139.00334	0.9
142.69405	0.7
145.02962	7.8
146.03763	1.8
147.04532	0.8
159.04532	7.8
160.05022	1.0
161.02408	1.8
161.04599	0.7
165.12852	1.3
171.04477	1.8
173.02492	0.8
173.06041	0.9
183.04466	1.3
185.06102	1.0
187.03979	1.1
195.04518	1.1
195.06554	1.7
197.06010	1.9
198.03242	2.8
199.03990	6.9
203.03488	1.0
207.08238	0.8
209.06055	1.3
209.11827	3.0
211.04057	2.1
211.07689	0.9
213.05579	2.3
221.06123	1.8
222.06683	0.9
224.04736	1.0
225.05530	1.7
227.03412	1.4
235.07616	1.1
237.05592	2.4
238.06281	2.1
239.03442	1.1
239.07095	3.5
239.16420	0.9
240.04274	6.0
241.05035	13.0
242.05318	0.9
245.04446	1.3
246.06789	0.7
247.07323	0.7
248.04636	0.8
249.05562	1.9
253.05081	3.3
253.08743	1.5
254.05820	3.9
254.09349	0.9
255.06366	1.0
263.07089	4.1
264.07993	3.2
265.04971	2.1
265.08740	3.4
266.05878	3.8
267.06625	10.2
268.07309	1.5
269.08035	1.5
270.05212	1.1
279.06711	2.0
280.07394	1.1
281.04987	2.7
281.08170	52.9
282.08823	17.1
283.06168	14.7
283.09180	1.0
283.15494	12.7
284.06549	2.0
291.06625	2.6
293.04688	1.1
296.06927	2.7
297.07861	0.9
297.11191	1.7
306.07513	1.0
307.06091	2.0
308.06958	5.8
309.04056	7.3
309.07281	1.3
315.06699	1.0
316.07434	1.1
317.08194	1.2
323.05627	4.0
323.09174	1.5
326.07983	10.6
335.05630	8.4
336.06073	1.1
341.10275	100.0
342.10593	10.5
353.31458	0.7
357.07794	1.1
359.09204	1.1
401.06323	1.1
402.07346	1.3
403.08249	2.8
445.09247	43.5
445.25146	1.7
446.09622	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48797	1.9
59.01375	14.7
69.94631	7.7
70.13022	2.0
71.01380	2.0
88.38863	1.8
90.73711	1.9
98.20557	2.4
121.02961	3.1
134.03787	2.3
135.04564	13.9
136.01643	3.0
145.02951	7.6
151.52116	2.0
166.18341	2.2
195.06767	2.2
235.59760	1.9
239.07021	3.2
248.56592	2.2
253.04944	4.0
254.05887	3.5
263.07068	3.4
265.08643	2.7
266.05865	2.1
267.06656	9.1
277.37500	1.9
281.08188	68.9
282.08871	21.9
297.07568	2.6
297.11166	3.6
326.07935	12.9
341.10281	100.0
342.10529	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47948	1.2
59.01378	42.1
59.76358	1.1
64.91161	1.1
70.44621	4.4
71.01378	1.7
72.00901	1.8
73.62395	1.0
75.00871	21.3
82.82941	1.1
85.08926	1.3
88.72675	1.2
89.02407	1.3
103.00373	100.0
104.00736	2.3
104.03541	11.9
106.81931	1.2
107.79639	1.2
118.44225	1.3
126.98885	1.3
138.19791	1.2
165.02486	1.2
191.05547	2.0
211.58139	1.3
214.64449	1.5
341.10806	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98811	3.1
71.01388	1.4
71.52372	1.0
71.52749	0.8
78.95902	4.6
108.23278	0.9
111.23689	0.8
132.36070	1.1
135.04538	1.0
149.00078	6.2
167.07137	5.7
181.06627	0.8
205.15968	5.1
206.16342	1.0
220.00186	1.7
297.11337	2.2
355.16794	19.3
356.17081	2.1
385.17889	13.7
389.26682	2.8
445.15656	1.5
445.20828	1.7
445.29825	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	445.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00583	1.0
59.01380	100.0
70.01777	3.0
71.01380	24.1
72.99310	1.2
73.02959	2.1
75.00891	0.6
77.84194	0.7
81.47859	0.6
83.01384	1.2
85.01042	0.7
85.02950	4.5
87.00907	2.2
89.02444	32.7
90.02751	0.8
91.16845	0.6
95.01421	1.1
97.03011	1.0
97.03709	0.6
99.00896	1.1
101.02445	11.9
105.93729	0.7
109.14414	0.7
113.02446	10.8
119.03508	13.2
119.04980	1.2
131.03488	1.9
133.01419	1.6
135.04553	1.0
143.03525	2.6
144.84064	0.6
149.04605	1.6
151.02658	0.6
151.07849	0.7
152.08473	2.2
153.09238	7.0
161.04526	6.5
163.03989	0.8
164.36356	0.6
165.08934	0.7
174.07080	0.6
179.05603	13.1
202.04439	0.6
205.12402	2.4
221.06689	1.3
223.13402	3.3
237.05556	0.6
283.28400	0.8
385.18704	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00597	1.5
59.01381	100.0
60.01717	0.9
61.98831	0.9
69.71613	1.2
69.72005	3.4
70.41959	0.7
71.01382	19.3
72.99305	0.9
73.02947	1.9
74.06861	0.6
76.86998	0.6
83.01392	1.1
85.02948	3.9
87.00910	1.3
89.02448	26.6
90.02777	0.8
91.41298	0.6
95.01394	0.8
101.02452	12.6
101.54649	0.6
113.02457	8.2
119.03495	10.2
121.02999	0.9
131.03532	1.1
133.01459	1.2
135.03001	0.7
136.48495	0.7
139.07646	1.2
143.03517	2.0
143.89709	0.7
146.00430	0.7
146.03452	0.8
149.02353	0.7
151.02692	0.8
151.07697	1.6
152.08441	1.5
153.09206	6.0
161.04546	5.0
179.05603	11.3
181.08786	2.0
205.12407	2.1
223.13478	2.5
242.39723	0.7
252.88321	0.7
291.20883	0.8
385.18671	5.3
386.19431	0.9
401.17014	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.2
59.74203	0.4
63.47959	0.4
63.56538	0.4
70.37076	1.4
71.01382	16.5
71.01783	0.8
72.01727	0.6
72.99319	3.3
87.00868	0.9
89.02444	3.1
93.52754	0.4
97.57493	0.4
115.00374	46.6
116.00723	0.9
124.62917	0.4
130.79529	0.4
133.01431	100.0
134.01758	2.5
135.03018	0.5
164.04335	0.4
198.05629	0.4
212.04807	0.7
213.05547	1.0
240.04295	1.2
241.05074	1.5
243.02975	0.9
266.08209	0.6
284.03217	0.7
284.09274	17.2
285.09796	1.5
302.10327	2.7
310.07224	0.8
328.04337	0.9
328.08249	19.1
329.08621	2.2
444.09442	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.353
Annotation	Topsentisterol A2
Peak:m/z	Relative Intensity
69.43201	0.7
69.86223	4.3
79.78747	0.8
116.03966	0.7
315.08954	0.7
397.34637	14.2
398.35117	2.3
399.36267	5.5
425.34229	24.7
426.34567	2.7
443.35278	100.0
444.35638	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	443.2802
Annotation	Foetidinol
Peak:m/z	Relative Intensity
56.36790	0.5
56.52706	0.5
59.01396	0.6
71.51933	0.4
78.95887	0.6
84.66420	0.4
117.03465	36.9
118.61849	0.5
119.05027	41.2
120.05392	1.6
121.02959	13.1
122.03300	0.6
123.04532	4.0
133.03006	2.5
134.03702	0.8
145.02953	76.3
146.03314	2.8
156.70343	0.6
162.03239	3.1
163.04007	15.5
399.28824	1.3
443.27930	100.0
444.28268	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	443.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95964	0.4
63.22145	0.4
70.10529	1.7
71.60206	0.4
79.01886	0.9
99.08180	0.7
123.04526	2.0
125.06091	6.2
125.09715	0.4
137.09727	0.6
151.02818	0.3
151.04001	7.7
152.04784	1.0
165.05533	0.9
166.02708	0.8
177.01834	1.1
179.03459	2.5
180.04274	7.9
183.51897	0.4
191.03345	0.7
191.10744	0.6
203.40514	0.4
205.12273	0.8
207.06619	0.9
207.10289	2.5
217.08667	3.1
221.08218	5.9
222.08937	2.5
223.09724	1.0
233.08122	0.7
234.08481	0.5
235.09741	83.3
236.10449	24.2
237.10904	1.4
247.09738	4.1
248.10403	0.7
249.11299	5.3
249.18448	1.0
261.11240	0.7
262.98679	0.4
317.17535	0.5
357.20660	0.4
359.18631	0.8
373.19980	0.6
374.21176	0.9
392.89746	0.5
399.29153	0.6
443.27997	100.0
444.28323	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15032	1.1
58.16625	1.4
68.61434	1.3
70.79571	2.6
99.08189	1.3
123.04487	1.7
125.06052	4.8
137.09782	1.7
138.03279	1.5
139.11244	4.1
151.03998	6.5
177.01868	2.1
179.03479	2.0
180.04295	5.0
191.10776	1.3
205.12282	1.9
207.06772	1.4
207.10318	1.4
213.47807	1.2
217.08725	2.2
221.08142	5.2
222.08922	3.7
235.09749	70.1
236.10393	11.9
247.09787	8.1
248.10094	1.2
249.11290	10.6
261.11273	3.2
301.14471	1.5
317.13950	1.6
345.16992	1.3
359.18494	2.3
374.20862	1.7
443.27997	100.0
443.34985	8.0
444.28223	14.0
467.38980	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06485	0.9
51.09882	1.1
52.88374	1.0
52.92017	1.1
55.01868	1.1
57.28341	1.1
58.00588	4.4
59.01378	100.0
60.01694	1.4
60.50408	0.9
69.37676	8.9
71.01382	50.4
71.01782	2.4
72.99313	2.4
73.02939	2.6
82.96970	0.9
83.01392	2.0
85.02946	8.8
87.00854	2.3
89.02445	67.8
93.72269	1.0
95.01385	4.3
101.02441	22.5
102.53483	1.0
113.02441	15.5
114.45719	1.1
119.03504	24.3
128.60182	1.2
131.03535	2.0
136.97684	1.2
143.03491	2.9
145.58867	1.1
149.04570	1.6
161.04526	3.8
179.05647	5.5
303.65762	1.2
443.31561	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	443.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90085	0.7
56.45372	0.7
56.57067	0.6
59.01381	100.0
60.01722	0.9
67.48991	0.6
68.61140	0.6
69.61786	3.4
71.01380	4.9
73.02934	0.7
85.02940	1.2
89.02454	2.5
93.46393	0.6
101.02464	2.1
103.57760	0.6
113.02465	2.8
119.03539	1.0
122.90517	0.7
161.04599	0.8
169.40662	0.6
197.42006	0.8
365.02701	0.7
383.21011	1.0
401.21484	0.8
443.22729	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.7
57.03460	0.7
58.23737	0.5
59.01381	100.0
60.01725	0.5
61.03833	0.4
69.39777	3.7
71.01383	7.6
73.02968	3.0
81.03487	0.6
83.01404	0.8
83.04948	0.4
85.02953	3.8
87.00893	0.6
89.02457	2.9
95.01387	0.6
95.05090	0.6
97.06600	2.4
99.00900	0.8
101.02450	4.6
113.02446	4.2
116.77567	0.5
117.03455	0.6
119.03522	0.6
121.02944	0.6
121.35915	0.5
129.09293	0.7
135.04492	0.5
139.55115	0.5
161.04579	1.2
191.03606	0.5
247.74228	0.5
273.13400	2.9
281.14044	0.9
291.14462	4.4
303.14542	0.9
345.15756	0.5
365.19788	1.1
379.08728	0.4
381.13214	1.0
383.20956	0.8
443.22745	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02578	1.2
59.01381	66.1
60.86122	1.0
70.12917	0.9
70.13245	3.8
71.01390	3.6
71.05021	17.5
89.02439	1.9
101.02431	3.0
105.03432	1.1
113.02481	2.3
119.03513	1.1
119.63953	1.2
121.02941	9.7
134.03743	17.6
147.00877	3.4
149.09698	3.1
161.02415	4.0
177.09212	5.1
221.08186	100.0
222.08484	5.2
252.60841	1.0
319.69080	1.0
369.43823	1.1
415.23901	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	6.7
59.01381	39.9
71.01379	30.3
71.50242	2.9
72.99311	2.7
73.02969	2.3
75.00872	1.8
78.95917	3.0
82.66724	1.6
83.01413	1.8
85.02950	4.8
87.00871	2.9
89.02444	42.5
96.96932	2.6
100.35662	1.5
101.02444	100.0
102.02753	2.3
113.02438	13.3
114.58972	1.8
115.00377	5.1
119.03504	13.9
119.05018	6.5
133.01408	7.5
143.03445	2.6
145.97453	1.6
161.04488	5.5
163.03986	8.0
179.05586	22.1
191.05650	4.0
250.99841	2.8
273.04575	2.1
284.09055	2.1
328.08023	2.4
341.06708	3.6
341.10861	75.0
342.11203	2.9
443.00934	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	443.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31453	1.8
59.01110	3.3
59.01381	47.3
61.98814	4.8
70.08940	9.0
71.01381	25.2
84.32713	2.7
85.02937	2.5
89.02439	3.6
90.29498	1.9
90.37735	2.2
91.01913	5.6
93.03410	4.3
95.48733	2.7
101.02425	2.6
115.00368	12.9
119.04997	5.0
123.04495	9.0
133.01448	11.5
134.03767	2.6
135.04526	10.5
136.05263	3.3
146.03729	14.6
151.04115	2.1
158.40390	2.6
159.04503	26.2
195.06633	78.1
196.06911	3.6
225.05373	2.5
239.07135	4.5
248.12979	2.6
251.07176	2.9
253.05025	5.2
266.05737	6.4
267.06644	44.3
268.07388	45.5
269.07788	4.0
281.07745	2.7
283.09756	100.0
284.10062	8.0
327.08713	21.3
352.18430	2.4
443.18890	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	443.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56718	1.4
59.01382	28.5
61.98828	2.7
62.39024	1.5
69.28789	13.0
71.01363	7.9
73.02917	2.1
85.02962	3.7
86.46688	1.5
89.02446	3.3
101.02447	4.3
103.00364	11.4
112.11900	1.9
113.02406	3.0
119.03522	1.6
121.02955	2.6
132.13152	1.4
133.02969	2.3
134.03714	3.9
135.04492	5.4
137.02423	2.0
145.02966	10.5
161.04585	2.0
179.03395	3.6
202.62318	1.8
206.07500	1.6
207.08096	2.3
209.06055	1.8
223.07597	4.5
224.08395	5.3
235.07605	4.2
237.83356	1.8
251.07173	8.5
252.07794	5.4
255.03020	2.1
256.70370	1.6
262.06314	1.8
263.07101	13.4
265.04837	2.0
279.06641	10.2
280.07388	38.0
281.07648	2.4
284.03131	2.8
295.09619	3.5
324.06387	33.0
325.06717	3.9
339.08694	100.0
340.08997	6.6
404.73349	1.7
432.44653	1.5
443.11557	1.7
443.22763	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	442.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14964	0.9
59.01369	2.3
61.98822	3.7
62.35856	0.9
69.26218	7.1
71.01379	1.8
72.04545	3.0
78.95898	1.2
82.02982	39.8
89.02470	1.2
91.05527	1.2
95.05016	1.5
96.96000	1.7
98.02483	19.3
100.04058	15.8
107.05014	2.5
108.02249	1.2
108.35471	0.9
119.05054	1.7
121.02937	1.3
122.03728	1.7
123.04532	56.4
126.01945	2.8
135.04526	36.7
136.04941	1.3
152.07155	8.1
160.97202	0.9
163.04001	1.5
163.40451	1.0
184.12206	0.9
190.05183	0.9
208.09776	6.2
218.08182	2.0
234.05569	1.5
234.07721	8.9
236.09288	100.0
237.09622	5.7
262.07428	2.0
275.40308	1.1
280.08319	19.8
281.08624	1.9
380.11203	1.4
442.13550	98.8
443.13828	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	442.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	19.3
61.26110	2.1
61.98832	4.8
62.81310	2.0
71.01392	11.1
73.02975	2.0
85.02940	2.7
89.02458	5.5
101.02419	3.8
104.05046	2.0
106.06628	100.0
107.06985	3.5
113.02445	3.5
115.00365	5.2
118.06628	2.9
133.01419	6.0
133.02956	5.7
133.81516	2.1
134.01810	2.4
134.03714	3.0
135.04509	2.8
137.02431	2.8
149.06168	3.2
150.05603	78.3
151.05911	6.3
164.07152	14.1
174.26134	1.9
177.01997	2.4
178.02515	2.0
188.07921	3.4
192.06624	9.0
194.04567	14.2
215.07219	2.0
220.59737	2.5
229.01782	2.2
231.10254	2.2
232.10516	2.7
281.13895	7.3
327.08682	2.3
398.10748	9.0
398.15503	2.1
442.21698	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2492
Annotation	9-Hydroxynerolidol-9-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
51.51074	0.3
55.01885	0.4
57.03448	0.6
58.00600	0.5
59.01380	100.0
60.01711	0.9
69.25955	0.5
69.26360	2.5
71.01380	10.7
72.99360	0.4
73.02947	2.6
75.00874	0.3
76.98578	0.3
83.01376	1.7
85.02956	3.7
87.00860	0.5
89.02442	6.4
95.01400	1.0
96.90820	0.3
99.00901	1.2
101.02443	6.9
113.02464	4.1
119.03508	2.4
143.03545	0.8
149.97533	0.4
151.38293	0.3
159.03076	0.6
160.47307	0.3
161.04611	1.1
229.94408	0.3
237.18585	3.4
298.69672	0.3
381.22836	3.0
386.73807	0.3
399.23874	18.5
400.24530	1.8
400.29077	0.4
441.24783	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2492
Annotation	9-Hydroxynerolidol-9-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
52.00707	0.1
55.01886	0.3
57.03446	0.1
58.00596	0.6
59.01381	100.0
60.01713	1.0
61.98846	0.2
66.79775	0.1
69.24870	1.2
71.01382	5.1
72.99303	0.2
73.02947	1.6
73.61862	0.1
83.01402	0.7
85.02960	1.7
87.00893	0.5
87.04540	0.3
89.02452	3.5
95.01418	0.4
97.02983	0.2
99.00910	0.8
101.02441	4.3
101.06087	1.6
111.00900	0.2
113.02457	2.2
119.03507	1.7
131.03557	0.3
143.03522	0.4
148.64386	0.1
149.13365	0.2
158.77927	0.1
161.04562	0.9
162.77711	0.1
178.04852	0.5
179.05609	0.9
194.23412	0.1
254.36255	0.1
279.19669	0.2
371.64407	0.1
381.23233	0.2
397.99203	0.2
399.23880	0.3
401.28085	0.1
434.31937	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27515	0.3
55.01873	1.0
55.54153	0.3
57.03456	0.7
58.00593	1.2
59.01377	100.0
60.01708	0.8
69.36517	2.8
71.01381	16.2
72.01729	0.6
72.99302	1.0
73.02944	9.4
83.01376	2.7
85.02946	4.6
87.00883	0.9
87.04523	0.4
89.02442	12.3
90.02807	0.4
95.01402	1.0
99.00896	1.0
101.02443	13.3
101.06081	1.0
113.02448	6.4
119.03503	5.7
125.02432	0.5
129.01979	0.4
131.03519	1.1
143.03520	1.2
149.04585	0.9
150.99475	0.3
161.04579	2.7
177.69983	0.4
179.05624	2.4
207.70558	0.3
399.24023	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28997	0.6
58.00589	0.7
59.01379	100.0
60.01706	1.0
61.98824	2.5
69.98206	1.2
69.98572	2.5
71.01373	5.8
73.02940	1.5
85.02978	1.9
89.02444	3.9
98.20571	0.6
99.00880	0.8
101.02428	4.6
101.06086	1.4
113.02431	3.1
119.03523	1.5
161.04578	0.9
217.09439	0.7
217.55434	0.7
228.42969	0.6
360.00238	0.6
422.75687	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	11.3
61.98866	0.7
69.79990	2.8
71.01386	10.8
72.99300	1.2
75.67500	0.5
78.76130	0.6
82.85653	0.6
85.02936	1.5
87.00871	1.0
89.02449	6.0
101.02451	2.5
103.04009	0.8
113.02461	2.5
115.00372	13.8
117.03474	1.5
119.03510	1.2
119.05052	1.5
121.02956	2.3
133.01433	25.0
133.02933	1.1
134.03743	46.5
135.04070	1.4
136.01604	1.3
137.02441	6.0
139.04008	1.2
145.02956	1.4
149.06090	13.9
150.06406	1.0
160.01678	1.8
163.04054	0.7
172.05327	0.8
175.04050	4.0
178.02704	24.3
179.03026	1.6
187.07634	8.8
193.05052	100.0
194.05388	4.0
202.06317	3.2
213.09192	1.3
215.07089	1.1
218.57851	0.6
227.03481	1.8
231.10283	5.1
251.11398	0.8
255.02982	4.9
263.12839	2.9
275.09268	5.9
279.08798	4.6
281.13898	0.8
283.02444	1.7
284.03253	3.6
307.11798	3.1
309.00189	0.6
325.12970	4.0
344.70102	0.7
346.11200	0.7
355.10364	5.5
369.08978	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	441.08
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	10.4
63.29465	1.6
69.23701	8.2
69.24128	6.7
71.01379	3.0
71.66377	1.4
78.95888	2.1
93.03468	6.8
93.76201	1.5
96.96031	2.1
107.05058	1.8
108.41485	1.5
117.05580	7.4
119.05038	9.6
121.06612	11.0
127.71196	1.5
135.04456	3.0
165.05563	100.0
166.05894	4.9
177.01929	2.9
180.99937	1.6
187.03761	95.5
188.04089	4.3
205.04820	3.7
209.04523	15.5
219.88452	1.6
231.02786	5.8
287.97354	1.7
331.99301	1.6
353.10010	27.7
354.10281	5.1
441.00702	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	440.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42654	1.3
57.03434	6.5
59.01380	42.2
61.98823	17.0
69.03456	1.8
71.01389	8.8
71.05021	15.9
71.52268	1.9
73.02937	5.3
81.03456	1.6
83.01411	3.5
83.05045	9.8
84.54156	1.7
85.02937	3.1
85.06596	5.0
86.02444	2.0
89.02477	1.5
95.05016	3.8
97.06581	14.7
99.08184	3.6
100.04054	1.7
101.02454	4.1
101.40102	1.4
102.05596	1.6
109.06590	1.9
110.06133	5.3
111.08141	3.8
113.02423	2.9
113.06108	1.9
113.09770	2.5
114.05671	1.7
114.09263	2.7
115.07644	13.5
127.11292	18.2
128.07112	1.7
131.07146	14.1
137.57909	1.5
151.11275	3.4
151.56978	1.6
153.12881	4.0
154.08707	2.6
155.14413	2.9
156.10307	5.6
158.11873	5.7
161.04515	1.9
161.71739	1.7
163.11295	2.3
164.14435	2.4
165.12840	29.7
165.14153	2.6
166.08589	1.4
166.13210	1.5
167.14409	16.1
169.12340	38.0
170.18886	1.5
172.09761	1.8
174.11311	12.0
182.15515	6.9
183.13872	3.6
200.76035	1.4
209.11815	54.6
210.12242	2.7
211.13383	22.2
212.16617	1.7
224.16428	1.9
227.12863	84.6
228.13225	3.1
229.14413	11.1
236.16054	3.7
241.18082	20.0
245.13916	48.5
257.17490	9.3
265.18161	3.9
270.17154	4.6
280.09576	1.8
281.21188	14.7
283.19171	15.0
288.18146	40.7
289.18597	2.8
299.18671	6.8
299.21793	2.0
308.22360	2.2
324.21912	2.3
325.20258	6.2
326.23489	4.5
330.58173	1.6
342.22736	17.8
343.23047	1.8
398.22894	1.9
398.73422	1.9
409.01929	1.6
419.23566	3.0
422.29141	11.2
440.30167	100.0
441.30518	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	440.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14472	1.2
59.01380	28.7
60.75089	1.1
61.98829	100.0
65.79779	1.2
66.13524	1.0
69.83536	7.7
70.06571	1.3
71.01383	2.6
98.19971	1.6
101.02466	2.0
117.95976	1.1
141.35172	1.2
174.04335	1.3
248.50266	1.5
264.86185	1.3
291.18057	3.1
318.27747	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.90253	3.0
62.35822	2.8
78.95917	4.2
80.59106	2.6
99.92590	19.9
109.37823	2.7
165.40604	2.9
183.01210	7.9
198.99156	3.1
222.23730	2.9
339.19901	12.1
375.16306	7.0
408.24301	2.8
439.12488	12.5
439.32178	4.5
440.12503	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	440.177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22851	1.3
59.01070	1.8
59.01377	50.1
61.98829	100.0
63.75101	1.3
68.78527	1.2
69.83162	6.3
70.62904	1.2
71.01376	5.7
73.02940	2.8
75.21709	1.4
81.44576	1.2
83.01369	1.8
101.02447	3.2
115.05506	1.1
122.54756	1.4
126.47377	1.3
158.11929	1.7
167.14435	2.0
231.57568	1.3
291.18063	2.0
350.60577	1.5
399.35095	1.3
440.24030	2.9
440.30075	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	439.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.6
57.03434	2.4
58.00588	2.0
59.01378	50.8
61.98829	3.6
71.01381	39.4
72.99313	2.1
73.02946	7.0
76.73159	0.7
83.01388	5.5
85.02954	14.4
87.00883	1.3
87.59883	0.7
89.02447	22.5
89.03004	1.1
95.01398	3.7
98.20673	1.7
99.00887	2.5
101.02438	26.9
105.03487	1.0
107.60484	0.7
113.02446	14.1
119.03496	9.5
119.05010	1.5
125.02319	0.7
131.03500	1.2
133.02934	0.9
135.04552	1.3
137.02469	1.6
143.03517	0.9
145.02939	1.7
150.05595	2.1
150.16660	0.7
151.05948	0.9
159.03047	1.0
161.04515	3.1
172.53323	0.8
177.01956	2.0
179.03424	0.7
209.04500	2.9
210.05347	1.7
233.18941	1.0
363.17734	0.8
439.23322	100.0
440.23703	11.4
440.29474	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.3
57.03466	0.3
59.01377	100.0
60.01698	1.3
61.65476	0.2
61.98827	2.5
67.84670	0.3
70.44789	0.9
71.01373	3.8
71.05039	0.3
73.02959	1.3
73.27966	0.3
75.81188	0.2
82.11214	0.3
83.01380	0.7
85.02943	1.8
87.00877	0.4
89.02461	0.9
95.01405	0.4
99.00891	0.3
101.02449	2.7
105.57309	0.3
109.06662	0.3
113.02426	1.6
115.07682	0.7
135.04587	0.4
145.70540	0.3
156.10310	1.0
158.11916	0.7
159.03001	0.4
161.04532	1.4
165.12914	0.6
176.34775	0.3
183.13974	0.3
186.06938	0.3
203.60289	0.3
209.11818	0.6
210.84894	0.3
227.12868	1.7
253.04860	0.6
257.17465	1.5
274.82779	0.3
281.17764	0.3
299.18631	1.4
397.22174	1.5
398.22305	0.3
418.22900	0.4
440.30118	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2335
Annotation	Spinanine A
Peak:m/z	Relative Intensity
55.01858	2.4
57.03450	3.2
58.00579	2.3
59.01377	100.0
60.01699	1.5
61.98824	6.4
69.80403	7.2
71.01381	40.6
71.04969	1.1
72.01741	1.5
72.99303	4.1
73.02954	12.7
80.21140	1.3
83.01381	7.0
85.02943	16.3
87.00864	2.1
89.02444	15.2
95.01368	4.6
96.95984	1.4
97.02982	2.4
97.06581	2.0
98.20019	2.2
99.00887	2.9
101.02438	29.8
105.03460	1.6
111.00925	1.4
113.02445	16.2
117.03465	1.2
119.03491	5.8
119.05028	3.8
122.03833	2.1
123.04529	2.7
125.02384	2.0
133.02892	1.8
134.03720	1.4
135.04501	2.6
137.02444	2.6
145.02954	4.0
150.05614	7.3
151.05899	3.6
161.04570	3.3
162.05524	1.6
165.12813	1.5
177.01877	4.0
185.20439	1.4
207.40837	1.4
209.04503	4.9
209.11884	2.2
217.06502	5.2
227.12915	3.3
235.17015	2.6
245.13936	1.7
288.18005	1.9
397.22089	7.9
398.22864	1.6
418.22678	5.0
439.18167	4.4
439.23294	93.4
440.23621	13.9
440.30142	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	439.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.7
62.72554	0.4
70.91038	0.7
71.01387	0.8
74.79079	0.3
78.95905	43.5
79.95772	0.3
82.95452	0.3
89.02468	0.3
95.73241	0.3
96.96011	29.9
96.96960	100.0
104.54952	0.4
118.96605	1.1
120.96985	0.3
132.98174	0.4
179.05634	0.4
191.05530	0.4
191.55928	0.4
196.70676	0.3
217.00233	1.2
217.33292	0.4
249.39436	0.4
259.01431	0.5
341.10721	0.8
439.08499	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
70.63174	0.5
70.63512	0.3
78.95905	45.5
89.02444	0.3
96.96050	13.4
96.96962	100.0
119.71913	0.2
179.05638	0.4
191.05637	0.4
341.10791	0.8
375.98520	0.3
439.08658	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.3
62.96416	0.2
69.52707	0.2
78.95905	43.1
81.50702	0.2
89.02420	0.4
96.96062	7.4
96.96960	100.0
113.02496	0.2
114.78815	0.2
125.42934	0.2
130.85457	0.2
188.08231	0.2
341.10516	0.3
439.08670	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01070	1.3
59.01378	33.9
61.98831	100.0
62.14574	0.9
71.01374	7.7
73.02946	4.7
83.01395	2.4
83.15028	1.0
84.73429	1.4
84.98646	1.7
85.02937	1.9
89.02461	2.1
101.02429	6.8
113.02513	1.0
117.82996	1.0
161.01801	15.3
161.04637	1.6
170.69588	1.0
215.07034	1.9
216.07590	2.5
283.17905	1.1
289.16660	2.4
329.39856	1.1
397.14078	1.5
417.90189	1.1
438.16284	1.7
439.15421	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	438.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47961	1.1
57.34043	1.2
58.84240	1.2
59.01369	9.4
61.98830	7.2
63.87521	1.2
69.03426	1.4
69.50259	1.1
69.50573	9.1
71.01370	4.7
72.00897	2.7
73.02930	1.8
73.52100	1.1
79.58459	1.1
82.02982	3.0
85.02939	1.4
92.72301	1.1
93.03455	4.1
97.06664	1.2
98.12003	1.1
99.92599	2.4
100.00406	12.1
101.02441	3.2
106.41114	1.1
109.02908	1.8
110.69810	1.1
113.02410	1.5
115.00341	2.8
115.92040	1.4
116.17642	1.2
116.92871	7.9
117.03448	12.1
119.05027	100.0
120.05360	3.9
121.02961	2.3
121.06588	1.1
122.03756	1.6
123.04520	4.3
133.01407	3.9
135.04491	7.0
137.02455	1.8
142.59625	1.1
145.02951	67.4
146.03497	5.1
146.06078	3.8
147.04489	4.2
149.04779	1.8
150.05595	8.1
158.03615	1.5
159.04474	4.3
161.06110	2.2
162.05573	7.5
162.13319	1.4
172.05278	4.6
173.06058	8.1
174.05568	3.0
175.04005	1.5
175.07652	4.6
176.03427	2.0
176.04781	1.9
176.07159	13.0
178.02814	1.4
186.06865	1.5
187.03961	2.8
187.07632	27.3
188.04846	1.5
188.07172	4.7
189.05634	2.3
190.06392	2.1
200.04836	2.9
201.05571	2.0
201.09174	2.2
202.04837	2.4
202.06401	5.6
203.07072	4.2
204.10327	1.7
205.08667	4.7
213.09276	6.6
214.09471	1.6
216.06546	2.9
217.08760	1.7
218.08224	4.9
220.06143	14.2
221.06302	1.7
229.08656	4.7
230.04565	1.7
230.08241	6.4
230.11790	6.1
231.10338	10.0
244.09778	2.7
245.06932	12.0
246.11372	2.1
247.09703	1.6
248.12852	4.5
256.09750	2.3
274.10846	51.6
275.11310	3.4
289.10889	2.5
290.11160	1.8
292.11945	8.6
300.08548	1.3
318.09805	30.4
319.10132	2.9
323.07910	1.2
359.02484	1.3
376.15448	5.3
394.16467	8.9
420.14636	3.0
438.15656	31.9
439.15796	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	437.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05712	1.4
50.49932	1.2
55.60357	1.2
59.01379	100.0
62.53214	1.2
78.95861	2.2
144.98892	1.2
152.99651	1.7
155.17233	1.5
174.05020	1.4
185.29095	1.3
214.81900	1.3
339.19757	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86816	0.9
53.58879	0.9
59.01377	100.0
62.53682	1.1
76.53812	1.1
98.19911	3.3
161.38327	1.2
228.98132	1.1
310.75339	1.3
350.56168	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54185	0.8
57.45449	0.8
59.01382	100.0
67.35126	0.9
67.90034	0.8
69.58824	4.7
71.01376	11.8
73.02952	3.2
83.01388	1.8
85.02958	5.9
88.07694	2.4
89.02448	2.4
95.01398	0.8
98.19852	1.0
99.00935	1.3
101.02435	8.5
101.14459	0.8
113.02444	7.6
114.05608	3.8
127.93627	0.9
133.01443	0.9
133.59030	0.9
135.04575	1.2
143.03493	1.2
161.04555	4.7
161.39790	0.9
165.08911	0.8
173.12935	13.6
208.99080	1.5
232.11896	2.5
250.12921	3.0
275.09619	1.1
276.36649	1.0
317.17191	31.4
318.17477	3.1
335.18228	12.8
377.19293	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	437.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	93.3
61.98826	41.2
64.00798	16.8
71.01372	48.4
71.52100	21.3
82.90604	16.9
115.00357	42.5
119.05061	33.5
133.01427	81.1
135.04550	100.0
145.02892	19.4
150.88664	21.7
151.03908	17.4
179.30388	20.6
213.11142	28.6
257.08386	17.6
325.44803	18.1
365.10101	18.5
437.12601	41.1
437.18878	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98946	0.3
59.01378	11.1
62.47585	0.4
69.91977	1.4
99.92549	0.4
106.51805	0.3
116.92877	0.3
125.82449	0.3
135.76062	0.4
144.04549	100.0
145.04904	4.5
187.57487	0.3
194.58044	0.3
205.04996	0.3
232.87454	0.3
251.30334	0.3
300.91138	0.3
306.10114	2.3
454.55521	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	8.3
61.98829	100.0
69.17405	6.7
69.17807	1.4
69.35210	0.6
70.18822	0.7
71.01369	1.6
75.00832	0.7
89.02465	0.9
96.96004	3.8
101.02472	0.9
103.55638	0.6
109.02972	0.7
130.02133	0.7
133.01442	1.1
135.04529	2.3
144.73701	0.8
161.02463	0.8
247.59416	0.7
296.33746	0.8
299.26776	0.9
371.52979	0.7
373.18677	1.3
415.99393	0.8
436.26553	1.8
437.08948	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2748
Annotation	Erigerol
Peak:m/z	Relative Intensity
68.66863	0.3
69.99109	0.9
93.03470	0.6
103.21753	0.3
106.04247	0.8
107.05035	0.5
109.02924	0.3
111.00905	0.3
121.02981	1.5
124.52952	0.3
131.51614	0.3
132.02266	0.3
132.06561	0.3
133.02959	15.6
134.03746	13.4
135.04526	48.5
136.04877	2.3
137.02440	8.4
139.04004	3.0
149.02422	0.5
150.03218	1.0
161.02438	29.9
162.02875	1.1
165.01926	0.3
178.02708	3.0
179.03493	23.6
180.03807	1.1
185.23288	0.3
244.56189	0.3
317.13983	0.7
319.14584	0.5
435.27475	100.0
436.27823	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	435.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37947	23.3
59.01358	54.4
63.90489	22.6
67.64954	21.9
81.60133	24.8
117.01900	32.7
131.50284	23.9
133.01428	27.0
133.03023	36.6
134.03748	75.9
135.02975	29.9
135.04539	28.7
162.03235	26.3
163.90294	24.5
174.66789	23.8
179.40775	24.4
187.07645	27.0
189.09114	44.4
203.07205	27.9
215.70821	24.9
216.61798	23.9
229.49901	33.7
231.10236	95.0
317.13840	100.0
435.21738	43.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36016	6.7
59.01375	31.8
61.98814	10.2
71.01377	8.2
71.51479	8.1
78.95913	11.9
94.86607	6.0
95.01360	6.8
96.96001	10.6
104.17873	6.2
109.02956	100.0
116.92815	6.3
144.04520	19.8
149.15489	7.5
152.91681	8.4
164.85068	6.1
165.05585	44.5
209.04459	31.4
225.03975	15.3
231.57545	6.9
243.01700	7.2
373.06186	8.0
373.77448	6.5
382.41287	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	434.1964
Annotation	Cryogenine
Peak:m/z	Relative Intensity
57.46896	1.0
58.02974	16.5
59.01371	5.7
66.03481	1.0
67.03020	1.1
68.05019	1.1
70.33367	4.3
71.01363	3.1
72.00899	2.9
74.02089	2.1
74.02475	28.6
76.13019	1.2
81.04599	3.0
82.02982	4.1
86.02479	14.9
87.05637	5.8
88.04025	2.0
89.02448	2.1
90.02789	1.4
92.52425	1.2
96.04568	1.7
97.04092	3.3
99.05639	24.6
101.02407	2.2
101.07230	5.7
102.05615	6.2
107.06133	2.0
109.04082	6.6
109.07695	1.5
111.05625	2.6
112.04049	3.6
113.25117	1.2
119.03516	1.5
123.05660	2.6
125.03568	5.2
126.04297	1.4
127.05121	4.9
127.05970	1.2
128.03543	78.5
129.03888	1.4
135.05632	9.7
137.07152	2.4
141.06699	5.2
143.04623	100.0
144.04971	3.9
145.06215	6.0
146.04602	11.5
153.06680	7.2
155.08260	1.2
161.10057	15.7
162.10397	1.4
166.09828	5.0
167.04614	4.4
167.08240	7.7
170.03278	3.5
171.04091	2.8
179.04634	24.0
181.06145	2.5
184.10898	1.8
185.05679	4.5
192.07811	3.2
197.05634	5.2
210.08827	23.2
228.09877	1.5
244.32045	1.2
244.65945	1.4
254.07813	53.9
255.08142	2.5
272.08868	56.5
273.09195	2.9
305.15393	8.3
348.07657	1.2
416.18839	9.5
434.19653	68.8
435.19843	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	433.3325
Annotation	(25R)-3alpha,7alpha-dihydroxy-5beta-cholestan-26-oic acid
Peak:m/z	Relative Intensity
50.03427	0.5
57.03453	0.8
58.67752	0.5
59.01368	1.8
60.66681	0.6
64.16735	0.5
69.03458	1.1
70.30019	1.8
78.95901	0.8
98.19931	0.7
101.94939	0.5
142.08807	0.5
242.66579	0.5
250.48958	0.6
251.95642	0.7
260.32849	0.6
299.98956	0.8
331.29742	1.4
357.31531	2.2
359.33002	1.3
360.33725	0.7
369.31570	8.1
370.32245	1.3
371.33173	7.3
387.32703	10.3
388.33499	1.1
389.33539	1.8
433.33188	100.0
434.33505	14.0
436.53391	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03427	0.5
57.03453	0.8
58.67752	0.5
59.01368	1.8
60.66681	0.6
64.16735	0.5
69.03458	1.1
70.30019	1.8
78.95901	0.8
98.19931	0.7
101.94939	0.5
142.08807	0.5
242.66579	0.5
250.48958	0.6
251.95642	0.7
260.32849	0.6
299.98956	0.8
331.29742	1.4
357.31531	2.2
359.33002	1.3
360.33725	0.7
369.31570	8.1
370.32245	1.3
371.33173	7.3
387.32703	10.3
388.33499	1.1
389.33539	1.8
433.33188	100.0
434.33505	14.0
436.53391	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2594
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
61.48766	0.3
63.15336	0.3
63.63048	0.3
70.97954	0.5
70.98302	0.4
75.96043	0.3
79.33924	0.3
93.03456	0.6
95.89143	0.3
105.03511	0.3
106.04214	0.6
107.05030	0.5
109.02959	0.3
111.00957	0.3
121.02955	1.9
125.78592	0.3
132.02234	0.8
133.02962	19.1
134.03758	12.7
135.04529	48.7
136.04849	1.6
137.02446	10.1
139.04018	3.2
145.77356	0.3
150.03194	1.0
161.02441	37.5
162.02762	1.7
163.03911	0.3
165.01921	0.3
170.60239	0.3
178.02730	2.8
179.03497	22.9
180.03870	1.2
433.25937	100.0
434.26285	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.8
57.03448	2.5
58.00596	3.1
59.01379	100.0
59.10914	0.5
60.01731	1.6
60.17570	0.5
61.98827	1.2
62.60917	0.5
69.03443	0.8
69.34499	4.6
71.01382	63.6
72.01739	1.3
72.99311	3.6
73.02944	7.0
75.00865	1.0
83.01379	4.2
85.02946	16.0
87.00884	3.1
87.04520	1.7
89.02444	73.8
90.02785	1.2
94.40649	0.6
95.01382	4.5
97.02946	0.9
99.00866	2.6
101.02443	39.1
102.02762	0.5
113.02448	24.9
119.03504	32.2
125.02414	1.3
128.47491	0.6
131.03531	3.6
142.59454	0.6
143.03497	6.2
147.11771	2.1
149.04550	3.3
159.02943	1.8
161.04559	11.6
170.48619	0.5
179.05624	12.7
179.07166	0.4
241.21013	0.5
268.13867	0.6
271.19052	2.1
279.83261	0.6
373.22272	4.2
433.24655	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.4
59.01380	100.0
60.01713	1.3
65.07133	0.5
69.22688	0.4
71.01381	9.4
71.01776	0.6
71.51505	0.4
72.99306	0.7
73.02969	1.2
83.01380	0.7
85.02526	0.4
85.02950	2.5
87.00890	0.8
89.02446	8.9
95.01418	0.5
99.00882	0.5
101.02455	6.3
104.71111	0.4
113.02448	3.9
119.03508	3.3
143.03534	1.1
149.04660	0.6
161.04581	2.3
179.05650	1.8
214.92928	0.4
219.97411	0.4
225.11427	0.4
255.03137	0.8
267.58066	0.4
271.02460	0.6
271.19180	0.5
299.99243	0.7
300.02682	1.0
301.03589	0.8
341.89151	0.5
391.19449	0.7
433.08432	0.9
433.19922	1.0
433.25305	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31569	0.2
56.72428	0.2
58.47055	0.2
59.01379	100.0
59.33393	0.2
60.01717	0.9
68.39964	0.2
69.63358	0.7
69.63762	0.9
71.01386	3.1
73.02951	0.8
75.46886	0.3
76.09500	0.2
83.01421	0.3
85.02978	0.9
87.00889	0.3
89.02443	3.6
93.23210	0.2
100.44521	0.3
101.02437	2.4
102.04093	0.3
104.59235	0.2
113.02419	1.5
119.03503	1.9
135.04527	0.6
143.03543	0.4
161.04636	1.0
179.05649	1.0
206.76387	0.2
211.13524	0.3
315.89386	0.3
330.54755	0.3
331.69968	0.3
356.24094	0.3
373.22253	2.0
374.22797	0.4
433.24222	0.5
454.80463	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47165	0.3
59.01369	0.8
69.92644	1.2
71.52055	0.3
78.95904	71.9
96.96966	6.1
111.65620	0.3
118.95128	0.3
150.97983	1.6
152.99583	100.0
153.99931	1.5
156.40471	0.3
161.02464	0.3
162.91316	0.3
169.56396	0.3
170.75940	0.3
171.00633	2.5
197.84451	0.3
279.23267	1.5
299.99139	0.9
300.99847	0.6
338.38776	0.3
433.04202	0.5
433.23596	11.7
434.23697	1.4
454.45590	0.3
454.69632	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2357
Annotation	LPA(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
69.32021	2.1
77.46521	0.3
78.95902	58.7
96.96965	7.1
124.11425	0.3
144.53784	0.2
147.05896	0.3
150.97997	1.5
152.99582	100.0
153.99928	1.9
171.00644	4.1
235.43639	0.3
279.23312	1.0
304.80515	0.3
339.96878	0.3
391.77594	0.3
433.23611	5.9
433.29156	0.3
434.24033	0.5
451.44672	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02969	3.7
59.01381	100.0
68.00706	0.8
69.29842	8.2
71.01381	7.3
73.02941	8.0
74.02470	10.2
75.69443	0.9
80.05047	1.5
80.31046	0.9
82.02982	3.4
83.01400	3.3
85.02955	1.7
85.98552	0.9
88.56287	0.9
89.02469	2.8
96.00972	1.2
96.04568	6.0
97.04091	7.2
98.02486	3.1
99.05643	4.8
100.00410	2.6
100.04057	1.6
101.02446	10.6
108.04575	5.9
109.04073	1.4
110.02477	2.2
111.01939	1.0
112.04043	3.4
112.07681	5.3
113.02452	4.4
113.03587	1.9
116.01784	1.2
122.06116	3.3
124.04025	6.6
124.48206	1.1
125.03574	14.8
125.04892	1.6
126.05655	1.0
127.05119	2.5
137.07185	7.1
138.05609	3.4
139.05161	5.2
140.03670	1.3
140.07164	1.9
143.03496	1.2
143.04620	2.4
147.05595	1.9
147.66800	0.9
149.26144	0.9
150.02020	1.1
150.05603	4.2
151.05154	1.2
152.03532	3.0
155.08281	5.6
161.04620	2.8
161.10039	8.0
163.05107	1.4
165.06718	10.0
168.06662	2.0
178.01482	3.4
181.06178	3.6
183.07748	2.3
191.04660	2.8
196.02498	1.6
209.05690	8.4
225.05171	28.2
226.05542	2.1
227.06770	3.4
253.04649	53.2
254.04901	2.7
271.05731	5.6
387.15897	1.8
388.61905	1.1
415.15353	3.0
430.40808	1.1
433.16367	15.3
433.22043	1.0
434.16925	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.6
59.01381	100.0
60.01713	1.7
69.61359	0.8
69.61769	2.6
71.01382	10.1
72.99325	0.6
73.02943	4.5
74.02485	0.7
78.38380	0.5
83.01395	1.5
85.02961	3.3
89.02459	5.4
92.95483	0.5
95.01373	1.1
99.00910	1.0
101.02448	7.7
101.35716	0.5
113.02445	5.0
119.03485	2.5
123.92892	0.5
128.03545	1.4
128.32002	0.4
143.03555	0.8
143.04625	1.9
143.07146	0.4
152.57162	0.4
155.83058	0.4
161.04550	2.7
169.12318	0.6
175.30617	0.5
179.05615	0.7
197.11836	0.5
210.08777	0.6
227.03345	1.0
253.17361	0.5
255.03053	0.7
286.03879	1.0
287.04587	1.5
296.30090	0.5
306.07614	0.7
307.07880	1.2
320.39651	0.5
329.19397	0.6
331.17639	2.4
373.18695	3.3
391.19498	4.0
415.19278	1.0
433.10370	1.1
433.20538	26.5
434.21014	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.4
57.03433	0.4
58.00600	0.6
58.85005	0.3
59.01378	100.0
60.01725	1.7
61.01819	0.6
61.98830	1.0
65.00331	0.4
65.68868	0.3
71.01379	13.2
71.51981	0.5
72.05882	0.4
72.82943	0.4
72.99303	0.9
73.02940	4.4
75.00879	0.9
81.03419	0.4
83.01392	2.6
85.02937	3.2
87.00097	0.4
87.00892	0.7
87.04539	0.4
89.02442	9.1
93.03488	1.1
95.01407	1.4
97.02976	0.6
99.00892	0.4
99.05618	0.5
101.02435	10.5
102.02814	0.5
107.01402	0.8
109.02998	0.5
113.02448	5.6
119.03521	4.3
119.05005	3.5
125.02483	0.9
125.68173	0.4
128.03558	1.1
131.03549	0.6
133.01421	0.5
134.74522	0.4
135.03047	1.1
135.04555	0.8
143.03525	1.6
143.04672	1.2
149.04572	0.9
151.00357	3.8
151.03917	0.4
153.37128	0.4
155.11894	0.4
159.03061	0.4
161.02483	0.9
161.04538	4.7
161.09917	0.4
177.02046	1.1
179.05661	1.4
189.01917	0.4
197.11850	0.6
211.13564	0.5
217.01442	1.4
254.07867	0.7
271.06061	10.1
271.19150	0.6
272.06470	0.9
272.09079	0.6
276.98160	0.4
285.11218	0.7
313.07352	0.4
329.10373	1.1
373.18768	0.9
390.15436	0.5
391.19836	0.7
433.14502	0.8
433.19815	0.9
433.25073	3.3
434.20111	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02973	6.0
59.01378	21.5
61.98839	1.7
70.02998	1.2
71.01373	3.5
72.04530	1.2
73.02927	2.6
74.02470	17.5
80.05074	1.3
82.02980	5.5
83.01379	4.2
86.02435	1.1
86.06091	1.8
87.96147	1.0
89.02481	1.3
96.04566	8.8
97.04070	12.6
98.02460	8.3
99.00865	2.0
99.05651	11.2
100.00368	2.4
100.04031	4.3
101.02438	3.9
108.04549	9.3
109.04055	3.0
110.02471	2.9
111.03256	1.1
111.87437	1.2
112.04047	8.8
112.07677	7.2
113.03570	4.1
116.01754	2.4
122.06111	3.6
123.05663	1.2
124.04052	11.5
125.03570	22.1
125.04785	2.3
126.05640	1.6
127.05134	5.0
134.02499	1.8
135.04489	2.1
137.02461	1.1
137.07211	10.2
138.05618	5.2
139.05121	11.5
140.07170	7.9
140.94928	1.0
143.04616	3.8
147.05614	4.6
150.01897	1.6
150.04242	1.7
151.05124	2.4
152.03508	5.9
155.08278	11.5
161.04509	1.2
161.10057	14.4
163.05083	2.4
165.05383	1.6
165.06682	20.7
166.05161	1.3
178.01460	5.5
179.04678	1.5
181.06186	7.8
183.07758	5.5
191.04611	3.6
196.02458	3.6
197.11835	2.5
209.05652	14.4
211.13481	1.0
225.05151	47.8
226.05383	1.5
227.06677	5.9
253.04637	100.0
254.04912	5.9
271.05676	11.9
371.16373	2.3
387.15933	1.6
389.15979	3.8
415.15408	3.7
433.16452	32.7
434.16760	3.7
443.54407	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
58.43365	0.5
59.01370	3.2
61.98836	0.7
71.01382	41.9
72.01712	0.7
83.68097	0.6
98.19948	1.8
106.04218	1.1
115.00372	13.4
116.00688	0.7
121.02965	0.7
133.02956	2.1
134.03746	58.7
135.04597	4.0
137.02414	2.9
139.11301	2.6
145.02930	5.1
147.08122	0.7
149.02415	1.7
151.04002	1.1
161.02451	13.7
162.03232	48.8
163.03561	1.8
175.71895	0.6
176.09660	0.6
177.01933	1.1
178.02652	1.1
179.03500	1.0
180.69559	0.6
187.07637	0.7
273.14899	2.0
274.15771	0.7
299.99268	1.4
300.99786	0.8
317.13919	100.0
318.14255	9.5
353.13980	0.9
382.40463	0.6
433.03934	1.1
433.25754	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	2.2
61.60022	0.7
61.98840	0.9
71.01379	43.6
77.03964	0.9
89.03958	1.6
90.57757	0.8
95.05028	1.6
98.19856	1.7
100.96611	0.7
105.03444	4.4
106.88715	0.7
108.08881	0.7
115.00355	12.8
117.03443	2.4
133.02942	10.1
134.03737	57.3
135.04544	27.9
136.04803	1.5
137.02448	1.4
139.11287	5.1
159.04483	0.7
162.03226	3.3
170.81908	0.8
177.01900	5.4
178.02745	3.5
179.03511	0.7
184.62059	0.7
206.42453	0.9
253.61269	0.7
273.14957	14.6
274.15283	1.4
300.99475	0.8
317.13913	100.0
318.14252	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	432.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02700	1.3
58.02975	11.1
59.01376	23.9
64.19675	1.0
66.03482	1.8
70.02986	1.7
70.34921	1.5
71.01382	1.8
72.00904	2.1
73.02969	0.8
73.36812	0.8
74.02473	26.6
81.04577	1.1
82.02976	3.2
85.02947	0.9
85.04056	1.1
86.02467	12.6
86.06084	1.3
86.99137	1.7
87.05640	6.8
88.04044	1.1
90.00193	1.9
93.22674	1.1
94.43905	0.8
97.04083	4.0
99.05637	22.5
100.05938	0.9
101.02453	1.4
101.07193	4.5
102.05591	3.6
107.06129	1.5
109.04070	2.8
109.07730	1.1
111.05631	2.3
112.04043	3.1
113.02505	1.2
113.09722	2.2
116.01760	1.1
120.01244	1.4
121.69447	0.8
123.05621	2.0
124.04018	1.7
125.03576	3.8
126.01945	1.6
127.05126	5.3
128.03537	64.8
129.03864	1.0
135.05620	6.7
137.07243	1.4
141.06749	4.8
143.04617	87.0
144.04915	1.9
145.06165	3.7
146.04597	8.9
153.06645	5.5
153.68082	0.9
155.08264	1.0
160.00723	21.3
161.38803	1.0
166.09863	3.2
167.04631	6.9
167.08247	3.3
171.07773	1.1
177.03349	8.0
179.04623	17.6
180.04907	0.9
181.06165	2.3
184.10927	1.6
185.05617	2.4
192.07793	1.3
197.05682	3.5
197.66208	0.9
210.08812	14.7
228.09747	1.8
254.07803	27.6
255.08188	1.5
272.08865	42.0
273.09259	2.4
288.06564	16.1
306.07642	100.0
307.07916	7.2
312.06293	0.9
390.75851	0.9
432.18011	5.0
433.20203	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00296	1.0
58.37245	1.0
59.01379	34.8
61.98830	100.0
71.01382	7.1
73.02946	5.6
83.01411	1.6
85.86725	1.0
89.02441	2.1
98.19863	2.8
101.02444	6.2
113.02495	3.2
115.00338	1.1
119.03521	1.3
141.76085	1.0
161.04556	2.3
178.02080	0.9
209.04512	1.4
270.11450	2.6
391.19534	1.3
432.19238	2.6
433.09033	1.3
433.20248	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40458	1.4
59.01376	61.5
59.82493	1.4
60.01708	2.0
60.82299	1.8
61.98828	100.0
70.88884	2.6
70.89235	3.4
71.01383	24.6
73.02940	21.7
80.40067	1.5
82.32635	1.6
83.01389	4.8
85.02954	5.1
89.02438	10.1
101.02441	17.8
113.02435	9.8
115.00381	4.1
117.03361	2.4
119.03505	2.2
121.02951	26.0
125.02448	2.1
130.16330	1.6
131.16025	1.6
133.01424	2.3
135.04515	9.6
143.03484	1.8
149.02435	1.7
150.03192	3.9
161.04529	4.0
163.03973	5.1
165.05528	2.9
177.02003	1.9
208.09668	1.7
271.06094	4.3
283.05966	4.8
284.06439	10.1
299.99240	1.8
311.05630	3.9
312.05872	15.0
313.06567	2.3
432.10315	10.2
432.19006	2.7
433.10223	2.2
433.20831	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49639	0.3
53.62910	0.4
55.87208	0.4
57.53967	0.3
59.01388	0.5
59.11443	0.3
66.38907	0.4
67.17561	0.4
84.02152	1.0
91.14575	0.4
98.20667	1.0
115.37707	0.4
118.99433	0.3
160.56601	0.5
190.05771	0.5
190.17174	0.4
241.30115	0.4
353.28537	0.5
369.31470	1.1
387.32684	54.9
388.33002	8.1
431.31650	100.0
432.31995	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	431.3168
Annotation	CHEBI:86434
Peak:m/z	Relative Intensity
57.03432	2.1
59.01373	11.5
71.52353	2.0
71.52728	3.0
80.65920	1.8
84.02164	15.4
91.28881	1.8
118.03386	1.8
125.43462	1.8
135.04527	3.3
159.06253	1.9
161.02383	3.0
212.31535	1.7
212.93883	1.8
329.28568	3.9
369.31601	9.1
370.32135	2.1
387.32788	18.4
388.32904	2.4
413.30310	4.8
431.24686	4.1
431.31573	100.0
432.32031	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2435
Annotation	Triflorestevione
Peak:m/z	Relative Intensity
70.83849	0.6
70.84154	0.5
74.82706	0.4
76.21915	0.3
77.81871	0.4
82.76644	0.4
100.70697	0.4
106.04231	0.5
107.05003	0.8
108.40320	0.4
113.05589	0.5
117.03483	0.5
121.02950	1.4
132.02173	1.0
133.01923	0.9
133.02950	22.1
134.03757	14.3
135.04526	51.2
136.04851	2.3
137.02437	9.9
138.91109	0.4
139.03999	2.9
149.02350	0.5
150.03233	0.9
161.02438	43.2
162.02684	2.1
178.02716	2.5
179.03497	20.5
180.03854	0.5
263.05679	0.4
431.24353	100.0
432.24719	13.1
432.30698	0.4
446.42966	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.6
57.03446	1.6
58.00579	0.5
59.01377	100.0
60.01723	0.9
61.98825	0.7
62.51288	0.5
64.77744	0.4
69.24642	1.6
69.25073	2.1
71.01379	21.5
72.99310	0.8
73.02945	7.1
81.03451	0.6
83.01403	3.1
84.01671	0.5
85.02947	10.5
87.00884	1.5
88.98805	0.4
89.02442	4.4
93.03451	0.5
95.01408	2.0
99.00889	1.8
99.04494	0.5
101.02438	15.4
109.02966	0.7
113.02445	10.5
115.00407	0.7
119.03537	1.4
121.02969	0.8
125.02457	0.6
129.01923	0.6
131.08656	0.4
133.01460	1.4
133.02939	0.8
135.04556	0.7
137.02457	1.4
143.03511	1.4
147.11815	1.7
149.02502	0.5
159.03047	1.5
161.02470	1.1
161.04532	8.5
161.05710	0.6
163.04044	0.6
177.02011	0.5
179.03639	0.4
183.04626	0.6
197.05962	0.5
203.03535	0.9
209.04590	0.6
225.05521	0.8
227.03561	0.6
227.16573	1.0
229.04968	0.5
237.05765	0.6
239.07114	0.8
240.04272	0.5
255.03140	1.6
256.03915	0.7
257.04593	0.8
265.04926	0.6
267.06784	1.0
269.04660	1.7
283.06021	1.1
284.25037	0.5
285.04077	1.0
293.04852	0.6
311.05582	2.8
343.08215	4.9
344.08884	0.7
371.20822	2.6
387.07251	0.6
389.21817	23.7
390.22070	2.1
431.05106	1.1
431.10120	1.2
431.18689	1.2
431.23273	1.7
432.20496	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41080	0.6
57.03425	0.7
59.01380	100.0
60.01716	1.2
61.98833	0.9
69.37447	1.2
69.37854	3.1
71.01384	9.2
71.24902	0.6
73.02940	3.5
75.57687	0.6
81.38860	0.6
83.01398	1.4
85.02956	2.6
87.00857	0.6
89.02457	6.1
89.15623	0.6
94.79504	0.7
95.83627	0.6
98.19911	1.3
99.00926	0.7
101.02441	4.9
103.51155	0.5
113.02454	2.9
115.00423	0.8
119.03463	2.8
137.02455	1.6
161.04561	0.9
177.01906	0.9
179.05600	0.9
187.07806	0.7
195.02989	1.4
209.11777	1.1
222.97296	0.6
242.95271	0.6
269.04587	0.8
369.13489	0.9
371.20935	0.7
389.18454	1.1
404.37564	0.6
431.19308	5.7
431.23938	1.9
432.19711	0.9
439.00540	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92204	0.5
57.03467	0.5
59.01378	100.0
60.01707	1.2
68.94280	0.6
71.01379	5.7
73.02538	0.5
73.02952	1.1
83.01381	1.0
85.02948	1.4
87.00922	0.5
89.02450	4.6
93.03457	0.6
98.19850	0.8
101.02441	3.4
113.02444	2.7
115.00352	0.8
118.86015	0.5
119.03534	1.6
127.13869	0.5
131.03453	0.6
133.01483	1.2
137.02428	3.4
161.04608	1.4
179.05638	1.4
209.61519	0.5
222.50089	0.5
231.10210	0.6
250.17648	0.6
431.23074	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52918	0.4
53.19230	0.4
59.01380	100.0
60.01721	1.1
69.82313	2.4
69.82722	0.7
71.01379	3.9
73.02948	0.8
79.22620	0.3
85.02973	1.4
89.02449	6.6
90.16171	0.4
101.02454	2.4
113.02473	1.3
119.03519	1.8
149.04716	0.6
161.04567	0.5
179.05696	1.5
269.13968	0.8
272.07834	0.5
341.40128	0.4
363.30295	0.4
431.19165	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.3
58.00595	0.3
58.07740	0.2
58.08035	0.2
59.01380	100.0
60.01715	0.9
60.97431	0.2
61.98835	0.6
64.76158	0.2
66.23904	0.3
69.23380	2.0
69.72097	0.2
71.01382	5.1
71.01778	0.3
72.99323	0.3
73.02934	0.6
83.01395	0.6
85.02959	1.3
87.00875	0.3
89.02448	4.2
90.81747	0.2
95.01368	0.3
101.02449	3.4
113.02447	2.0
115.00350	1.3
119.03516	2.1
131.03485	0.3
133.01419	1.5
135.04547	0.4
136.01678	0.8
137.02425	1.5
143.03554	0.2
149.04584	0.3
149.86775	0.2
161.04608	0.6
179.05623	1.0
185.04869	0.2
200.25914	0.2
271.06030	0.2
371.20959	0.3
389.18262	0.8
392.43484	0.3
415.99335	0.3
431.13397	0.3
431.18851	2.8
432.19452	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.4
59.01378	100.0
60.01711	1.2
61.98804	0.9
69.25105	3.5
71.01382	5.5
73.02962	1.7
80.83987	0.4
83.01387	0.7
85.02946	2.1
89.02431	2.6
93.03477	0.4
97.03027	0.4
99.00878	0.7
99.04521	6.0
101.02448	3.8
113.02413	2.1
113.30309	0.4
114.19484	0.4
115.00430	0.4
119.03516	1.3
124.57515	0.4
159.03206	0.4
161.04568	3.6
162.09271	0.5
179.05876	0.4
209.11908	0.9
232.65421	0.4
242.49054	0.3
243.62549	0.4
297.40097	0.5
371.20636	3.5
397.90182	0.4
431.22647	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	431.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61354	0.3
59.01369	1.5
60.20460	0.2
70.81580	0.7
78.95905	70.2
88.98813	0.3
91.20551	0.3
94.98093	0.3
96.96011	0.6
96.96967	5.7
99.98402	0.3
133.02951	1.0
134.03763	0.6
135.04535	2.7
150.98001	2.1
152.99583	100.0
153.99913	1.7
161.02444	2.3
171.00639	2.9
178.02777	0.3
179.03435	0.9
277.21588	1.0
374.36099	0.3
431.21793	10.3
432.21930	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47443	1.5
59.01378	100.0
61.98825	5.0
71.01385	14.5
73.02938	4.2
78.61531	2.0
85.02927	2.7
89.02446	5.2
92.29794	1.6
93.03452	1.9
99.00881	1.8
101.02473	8.2
101.03024	1.5
113.02421	7.6
115.00336	4.3
119.03515	2.7
119.08645	3.3
135.11818	4.5
137.02460	2.0
145.02950	2.3
147.11790	7.1
161.04524	2.8
179.10843	3.1
187.07689	4.2
191.10768	7.0
209.11819	80.2
210.12190	4.8
229.27631	2.6
231.10339	1.9
257.07855	2.1
267.06622	7.7
275.09372	2.3
281.08209	1.9
312.09985	16.0
313.10464	3.3
316.29962	1.9
327.12402	25.3
328.12631	3.5
369.12549	3.3
371.24316	3.3
387.10168	1.8
431.22864	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	431.2201
Annotation	PA(18:3(6Z,9Z,12Z)/0:0)
Peak:m/z	Relative Intensity
59.01382	0.7
60.78891	0.2
62.96373	0.4
71.47726	0.2
78.95905	52.4
90.33249	0.3
96.96961	6.5
121.44426	0.2
133.02974	0.4
134.03735	0.4
135.04550	1.2
150.98064	1.7
150.99228	0.3
152.99583	100.0
153.99927	1.8
161.02406	0.7
171.00627	4.4
179.03491	0.6
232.86172	0.2
277.21692	0.7
318.59677	0.3
329.95035	0.3
356.83313	0.3
431.21786	4.9
432.22675	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.6
57.03447	1.8
57.63836	0.7
58.00595	0.7
59.01379	100.0
60.01719	1.8
61.98840	3.8
67.20107	0.6
69.03455	1.1
71.01386	19.8
71.01782	1.3
71.05019	0.7
71.51535	0.7
72.99310	1.3
73.02947	4.7
75.00896	0.7
79.95714	0.6
83.01395	2.6
83.04985	1.6
85.02953	5.0
85.30505	0.6
87.00878	1.1
88.98847	0.8
89.02442	8.8
90.41630	0.6
93.03471	2.6
93.07140	0.7
95.01398	1.6
96.95997	0.7
97.06618	0.7
99.00909	1.2
99.04567	1.1
101.02440	10.0
105.30277	0.7
109.02948	0.8
111.04507	1.2
113.02460	8.2
115.00395	1.7
119.03481	4.0
119.08663	2.1
121.02946	1.0
121.06599	1.1
123.68385	0.7
125.02393	0.7
131.03528	1.1
133.01433	1.7
133.02963	0.9
135.04491	2.6
135.11809	4.6
137.02396	1.8
145.02948	5.3
146.03769	1.2
147.04558	0.8
147.11787	9.3
149.02463	0.6
153.09265	0.7
155.03479	1.8
157.12306	0.7
159.04497	0.7
161.02501	0.9
161.04581	3.0
163.04068	0.7
165.12819	1.3
173.04524	1.1
176.04761	1.5
179.05600	0.8
179.10768	3.2
181.12404	0.7
187.07619	6.5
189.05632	0.8
191.10771	7.4
202.06381	1.0
203.07169	1.1
204.07358	0.8
207.13869	1.9
209.11815	65.4
210.12209	5.0
211.07532	1.3
213.09097	1.2
215.10895	0.7
225.05434	0.7
227.03462	1.4
227.12877	1.4
231.06601	4.8
231.10216	2.5
233.11734	0.7
239.07149	4.4
239.09451	0.7
251.12900	3.1
251.16585	0.9
253.04985	1.9
255.02893	0.9
256.11014	1.6
257.08063	1.4
267.06601	12.7
268.06985	1.2
269.13864	1.0
269.17545	2.0
275.09418	1.4
281.08261	2.1
283.09708	2.1
284.10446	1.7
285.03961	0.9
295.09644	3.2
296.10208	0.8
297.83109	0.7
311.09055	1.9
312.10007	39.9
313.10291	3.4
327.12347	55.2
328.12735	6.0
345.25174	0.8
369.12549	1.9
371.11493	0.8
371.20313	0.9
371.24338	3.4
387.10638	2.1
400.35614	0.7
431.22699	23.0
432.22928	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
58.84531	0.9
59.01373	3.1
60.99306	14.6
69.63618	2.4
69.64048	3.6
71.01006	1.0
71.01366	5.2
88.98803	100.0
89.01941	1.6
89.02447	21.0
100.14802	0.9
115.00342	6.3
133.01422	12.6
135.04543	4.8
179.03497	3.9
179.05609	1.3
191.05574	4.6
219.10985	0.9
314.53583	1.0
330.95184	1.0
341.10904	4.6
343.08105	1.8
382.73981	1.2
387.06744	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34964	1.4
57.03442	3.0
59.01377	100.0
60.01694	2.5
61.98809	4.8
69.03452	1.4
71.01382	18.6
71.11465	3.5
73.02933	4.8
80.57542	1.5
83.01369	2.8
85.02955	3.4
89.02441	8.5
93.03432	2.4
95.01376	2.1
101.02441	7.1
108.13368	1.3
113.02454	7.6
119.03479	2.7
119.08720	2.1
133.01419	1.9
135.04535	2.2
135.11784	3.0
137.02370	1.8
145.02937	4.3
147.11751	5.4
155.03439	2.3
161.04456	2.0
172.05339	1.7
179.05606	1.7
179.10690	2.5
187.07639	6.8
191.10751	5.8
207.13957	1.4
209.11824	45.6
210.12189	2.1
213.09158	1.4
228.85307	1.4
231.06554	6.5
231.10156	1.6
232.06715	1.5
239.07039	5.2
240.07999	1.5
251.12816	2.4
253.04961	1.7
253.08495	1.6
257.08179	2.1
267.06613	13.1
268.07172	2.8
269.17667	1.6
275.09253	3.0
281.08197	2.3
283.09607	1.7
295.09680	2.8
311.09277	2.0
312.10031	44.8
313.10431	4.6
327.12366	60.4
328.12750	5.2
356.85321	1.7
369.12195	2.1
371.24274	3.1
431.22687	21.6
432.23145	2.5
447.54150	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.098
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
54.24052	0.5
57.03420	1.0
58.00583	0.7
59.01382	34.2
61.98829	0.8
64.27075	0.5
71.01382	9.0
71.39960	1.1
72.99323	0.7
73.02926	1.0
74.02467	0.7
83.01373	1.6
85.02972	3.6
87.00846	0.8
89.02439	3.7
93.03445	1.4
99.00832	0.7
99.05619	1.1
101.02434	5.0
107.01384	2.4
109.02935	0.8
113.02452	2.9
119.03496	1.4
121.02924	0.8
124.51144	0.5
125.02341	0.8
128.03560	2.9
132.02142	0.9
133.01414	0.7
133.94740	0.6
135.00873	2.2
137.02437	0.8
143.04594	3.4
151.00354	0.9
157.06577	0.7
159.04491	1.2
160.00710	1.0
161.04570	1.4
163.00365	2.0
165.01871	0.7
166.73691	0.6
169.06612	0.5
171.04576	0.7
177.03481	0.7
183.04498	0.9
185.06075	1.4
187.03955	2.8
187.07605	1.0
189.05482	0.8
190.99918	0.6
195.10202	1.4
197.06041	1.5
199.04012	1.2
210.08789	0.5
211.04030	2.7
213.05554	2.2
215.03586	0.8
227.03493	45.7
228.03824	4.0
229.05049	10.9
230.05449	0.7
231.10086	0.8
239.03400	1.4
240.04041	0.8
241.05061	2.0
242.19048	0.5
254.07664	0.7
255.02983	66.5
256.03494	8.4
257.04553	5.6
267.03101	0.8
269.04456	0.6
269.14011	0.6
269.17444	2.7
272.08838	1.8
284.00021	1.1
284.03262	60.3
285.04019	100.0
286.04376	8.8
306.07651	4.5
378.76270	0.7
431.09851	52.4
431.22772	48.9
432.10086	5.7
432.22961	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	429.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99438	0.5
59.01393	0.5
69.98095	2.0
70.77236	0.5
71.00904	0.6
96.56388	0.5
98.46329	0.5
106.81523	0.5
139.67654	0.6
196.93132	0.5
355.26218	2.7
373.27460	72.7
374.27890	8.2
429.30075	100.0
430.30368	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3007
Annotation	SCHEMBL16574568
Peak:m/z	Relative Intensity
51.53876	0.1
59.01370	0.2
71.01386	0.3
71.14304	0.3
97.97354	0.1
99.00916	0.2
99.91902	0.1
99.92074	0.1
99.92579	5.1
100.92677	0.3
100.93362	5.3
101.93398	0.2
112.95676	0.1
113.92607	0.1
115.92078	100.0
116.92084	4.9
116.92864	5.5
117.92751	0.2
117.92913	0.2
123.07706	0.1
130.94434	0.2
132.92346	1.0
136.42091	0.1
142.94415	0.2
155.95198	0.2
172.95468	4.5
173.95486	0.3
228.68892	0.1
255.23308	0.9
255.73190	0.1
355.15784	0.6
356.16470	0.2
357.27957	0.3
367.25543	0.2
367.30032	3.8
368.30579	0.5
371.15189	0.4
381.17273	0.7
382.17590	0.2
385.31104	9.8
386.31424	1.4
411.18469	0.2
411.28693	0.2
429.20444	3.6
429.30057	29.0
430.19666	0.6
430.30386	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2643
Annotation	Pittosporatobiraside A
Peak:m/z	Relative Intensity
50.42654	0.5
70.35917	2.1
74.98122	0.6
79.01878	0.9
91.93813	0.6
99.92546	1.3
100.93362	2.6
107.05029	0.6
111.04522	3.6
115.92073	23.5
116.92083	1.0
116.92862	1.6
123.04510	1.9
148.42171	0.6
151.04027	7.3
152.04730	0.7
163.04112	0.6
172.95451	1.3
177.01849	0.7
177.09209	0.6
179.03432	1.7
180.04303	4.1
193.08679	1.8
203.07155	4.4
207.06604	6.0
208.07358	3.2
209.08087	0.8
219.06607	0.8
221.08173	87.1
222.08904	23.3
223.09294	1.9
229.42198	0.6
233.08150	4.9
235.09747	5.4
247.09766	0.9
277.10852	0.7
359.19006	0.7
360.19379	1.2
429.26382	100.0
430.26767	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	429.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	0.5
57.50598	0.5
59.01378	100.0
60.01717	1.0
69.36748	4.2
71.01378	5.3
73.02953	0.9
85.02959	1.7
89.02461	1.6
99.00927	0.6
101.02434	2.4
113.02485	0.9
117.74332	0.6
120.99648	0.7
161.04575	0.7
169.11217	0.5
205.00139	0.5
285.20752	1.1
325.10785	0.7
369.23035	0.6
387.24118	0.8
429.19495	0.7
429.25284	7.6
430.25085	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55753	0.5
55.29326	0.5
55.87853	0.6
57.03344	2.8
58.00523	0.6
59.01270	19.6
59.01606	5.0
59.01795	0.8
59.56914	0.6
61.98721	2.9
61.99070	1.1
63.15278	0.6
69.03359	1.1
69.39229	3.1
69.39638	1.3
71.01265	5.8
71.04919	1.3
72.02091	0.6
72.97648	0.6
73.02827	5.1
79.05443	1.1
79.95598	0.6
83.04944	0.8
85.02825	3.3
86.03655	0.6
87.00794	0.9
87.04391	6.2
89.02323	2.4
93.06963	2.6
94.69079	0.6
95.04903	0.9
97.06487	1.2
99.04381	6.6
101.02316	2.0
101.02905	0.7
101.05940	8.2
109.06556	0.7
111.04371	9.2
113.02303	1.6
115.00267	1.0
119.03449	0.8
123.04417	1.3
123.08147	3.0
125.09564	5.6
127.07558	1.0
133.01291	0.9
135.01112	1.4
137.09654	0.8
139.07532	0.9
139.11259	4.1
141.09134	0.9
141.12857	3.8
145.47308	0.6
149.09610	0.8
151.11116	2.4
153.09192	4.6
153.12689	0.6
154.09840	0.7
155.10655	1.3
163.11136	2.6
167.10730	0.5
169.08549	1.8
169.12274	3.4
177.01643	0.7
181.12355	9.2
195.13770	1.0
197.15338	1.5
199.13319	0.8
202.20770	0.6
207.13731	0.9
209.15346	0.7
221.15450	0.6
225.11284	6.6
227.12910	0.7
228.13606	0.9
252.76485	0.7
257.17465	1.6
265.21411	0.6
277.17914	1.7
277.21545	1.3
285.20563	1.3
325.23926	0.7
333.20581	1.9
351.21741	6.4
369.22794	100.0
370.23099	12.2
387.23880	6.5
411.24179	0.8
429.24979	21.2
430.25266	2.2
430.30933	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.9
59.01379	100.0
60.01707	1.3
69.73259	2.7
71.01377	3.9
72.77036	0.4
73.02969	1.0
77.98141	0.4
83.05045	0.7
85.02974	1.9
95.01434	0.5
100.57150	0.5
101.02443	2.2
110.89056	0.4
113.02469	1.5
124.94354	0.4
161.04593	2.8
173.06129	0.6
192.92644	0.5
217.01389	0.6
283.48492	0.5
303.48602	0.5
369.22833	3.8
370.23260	0.6
411.25507	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.213
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01718	1.0
61.98834	0.8
69.27715	6.0
71.01382	4.5
73.02957	1.8
83.01426	0.9
85.02969	1.1
86.41280	0.6
89.02462	2.0
101.02455	1.4
102.31070	0.6
113.02480	1.2
119.03537	0.7
135.04475	0.6
151.24709	0.5
160.57401	0.6
161.04539	0.8
190.94658	0.7
207.81648	0.6
225.14963	1.5
236.42302	0.6
241.31041	0.7
275.09238	1.2
320.58020	0.6
334.53656	0.7
383.42969	0.6
385.05667	0.7
387.20218	0.8
388.43915	0.6
429.20700	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2128
Annotation	Hierapolitanin D
Peak:m/z	Relative Intensity
55.01894	0.8
55.76533	0.7
57.03461	1.2
59.01381	100.0
60.01696	0.8
61.98818	1.2
71.01384	11.9
71.52555	1.0
71.52943	0.9
72.01715	0.7
73.02963	4.5
74.99118	0.9
83.01373	0.8
85.02939	5.1
89.02458	2.0
94.63787	0.7
96.43511	0.6
97.02984	0.9
97.68525	0.8
99.00880	1.3
101.02442	6.1
113.02456	3.5
115.00432	1.1
120.99674	1.1
133.01442	1.1
133.02956	1.0
135.04576	1.2
137.02374	0.8
137.09885	0.8
159.03043	1.3
161.04593	2.7
179.03644	0.9
205.15987	1.4
223.17027	18.7
223.19133	1.2
224.17380	1.4
249.15073	1.4
267.16003	26.6
268.16467	2.9
298.19189	0.8
316.04813	0.7
351.16412	0.9
385.05765	1.5
387.24094	0.9
429.25241	0.8
440.43472	0.7
444.05283	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.3
57.16029	0.6
58.00591	1.5
59.01380	100.0
60.01721	0.8
61.98835	3.1
67.62411	0.6
71.01387	12.0
71.52094	0.8
72.99319	1.6
73.02938	4.9
83.01405	1.2
85.02505	0.6
85.02945	3.6
86.69309	0.6
87.00877	0.7
87.04518	0.9
89.02451	14.8
95.01395	0.8
99.04577	0.9
101.02449	14.0
101.03112	1.1
101.06143	0.7
109.03028	0.9
110.70041	0.6
111.04517	1.3
113.02430	3.7
119.03504	7.8
131.03531	0.7
133.01425	0.8
135.01193	1.2
139.11356	0.8
143.03519	1.0
159.04533	0.7
161.04591	2.4
163.11285	4.2
165.12860	1.5
179.05649	2.8
181.12328	11.1
201.15088	0.7
205.12326	1.0
207.10236	1.6
207.13895	4.0
221.15549	1.2
225.11333	12.2
225.14818	0.9
249.14990	1.5
369.22839	11.9
370.23389	1.8
385.05405	0.8
429.20450	1.4
429.25558	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	429.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83487	0.3
55.01877	0.3
59.01379	100.0
60.01707	1.0
70.82268	0.5
71.01381	3.7
72.99358	0.3
73.02954	1.9
83.01424	0.5
85.02961	1.2
87.00889	0.4
89.02441	2.2
95.01431	0.5
95.25102	0.3
97.91687	0.2
99.00866	0.4
101.02437	3.8
101.34682	0.3
109.06586	0.3
111.00916	0.5
113.02471	2.1
115.00392	0.4
119.03508	0.8
133.01463	0.6
133.02997	0.7
135.04538	1.1
146.44829	0.2
161.04539	1.3
177.01988	0.8
178.09935	0.2
179.03523	0.4
179.05672	0.3
181.05180	0.4
187.07874	0.3
189.12804	0.3
201.01991	0.2
205.08777	0.3
207.14011	0.5
231.10219	0.3
253.05223	0.4
281.04709	0.6
309.04202	0.3
313.07297	0.5
341.06714	0.4
342.69577	0.3
351.18359	0.5
353.03247	0.4
369.19241	0.7
385.05792	1.1
387.20258	2.0
395.19928	0.3
401.04974	0.3
429.04651	3.1
429.17255	0.5
430.05380	0.5
449.69867	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10221	0.4
53.43872	0.4
59.01378	100.0
60.01710	1.0
69.37451	0.4
70.10849	1.8
70.39720	0.4
71.01373	6.5
73.02959	2.0
83.01409	0.7
85.02932	2.8
89.02426	2.2
89.80305	0.4
96.37049	0.4
99.00884	0.5
101.02461	2.8
103.53360	0.4
113.01804	0.4
113.02451	2.3
119.03526	1.0
139.68353	0.4
161.03426	0.4
161.04538	2.1
189.12848	0.7
207.14087	0.5
221.84729	0.4
238.29654	0.4
369.19052	0.4
387.20309	4.3
388.20551	0.8
421.72742	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54914	0.5
55.01880	1.3
57.03445	1.7
57.04670	0.6
59.01379	100.0
60.01704	0.9
64.53136	0.6
71.01379	19.9
72.99335	0.9
73.02946	6.1
83.01393	3.5
85.02951	8.9
87.00894	1.8
89.02456	3.4
95.01373	1.2
99.00890	1.7
101.02446	10.9
111.00893	0.8
113.02448	8.7
119.03529	1.2
121.64007	0.5
122.96896	0.6
129.02013	0.9
137.09770	0.7
143.03497	1.5
159.03014	1.9
161.04552	12.2
161.09769	0.9
163.11237	3.1
165.48236	0.7
200.74423	0.6
207.14005	1.7
209.04694	0.6
218.40436	0.6
225.14972	1.7
267.12402	0.7
325.16443	3.3
343.17795	1.3
369.19208	2.2
387.20084	5.9
429.20477	4.1
429.26276	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32949	0.2
58.07977	0.2
58.51810	0.2
63.73001	0.2
67.19062	0.2
70.07582	0.5
70.07998	0.4
99.92584	4.7
100.92677	0.4
100.93365	8.7
101.93368	0.5
113.92590	0.3
115.92076	100.0
116.92078	5.2
116.92864	5.4
117.92881	0.2
120.23230	0.2
132.92348	1.1
142.94395	0.4
155.95230	0.2
172.95445	4.5
173.95667	0.3
209.69661	0.2
221.08131	0.3
255.23422	0.9
355.15952	0.4
367.30090	1.4
371.15140	0.3
381.17206	1.2
385.31131	4.0
386.31601	0.4
411.18411	0.3
429.19708	4.1
429.30078	11.9
430.19690	0.8
430.30432	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	6.0
58.68523	2.3
59.01378	57.2
61.98836	13.5
70.85796	4.4
71.01382	34.1
73.02934	8.9
73.62800	2.2
83.01385	4.7
85.02948	6.8
85.92315	2.7
89.02435	6.6
95.01437	3.0
101.02429	10.8
107.69769	2.7
109.81679	2.5
113.02448	10.1
119.03515	2.6
119.05009	4.8
120.29238	2.1
120.99657	100.0
125.02520	2.8
130.20076	2.2
132.22530	2.9
133.02936	3.1
135.04512	3.7
138.81293	2.2
145.02979	5.7
151.40590	2.1
159.04483	3.8
179.07246	3.3
200.97391	2.4
207.08064	6.7
221.28439	2.4
241.05209	3.5
251.07071	12.2
254.05551	4.0
265.08694	28.6
265.86618	2.5
266.09366	10.2
285.20691	10.5
307.09726	3.6
310.08408	3.5
325.10767	96.2
325.23557	3.1
326.11081	7.3
369.22812	5.8
385.05417	3.8
387.19690	4.1
387.24228	5.4
429.25232	63.8
430.24799	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	429.0463
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22066	2.8
50.77600	3.2
59.01370	6.2
66.57816	2.4
69.29176	6.5
69.29581	16.7
71.01388	8.9
71.08193	2.6
74.74368	2.5
77.92242	2.4
78.95898	6.2
83.08074	2.8
87.00876	36.0
88.00422	3.1
89.02418	3.1
89.03998	3.1
105.03465	7.3
107.01358	3.4
110.01119	2.9
115.00349	11.1
117.03439	3.0
124.01667	16.4
133.01462	14.9
133.02936	13.1
134.03697	2.6
135.00879	4.7
135.04509	7.1
139.03931	3.7
142.54335	2.5
145.02992	2.8
147.00870	6.7
149.02423	5.9
161.02461	4.4
167.03499	16.0
177.01933	28.5
179.03554	5.1
181.05061	7.5
189.01933	12.2
191.05363	3.1
195.04529	3.4
199.03970	4.2
201.01897	8.3
207.04616	3.0
208.76064	2.8
209.02487	3.0
209.04333	4.5
209.06126	6.4
211.04015	5.0
217.01430	22.7
225.05434	4.2
235.03987	10.7
237.05519	8.1
239.03424	10.1
240.04118	3.4
251.03419	4.3
253.05006	19.7
261.00455	5.6
263.03543	3.2
265.04910	3.8
276.74634	2.6
279.02939	3.6
280.03607	2.8
281.04517	25.1
282.04965	3.5
295.06110	4.3
298.01218	5.2
307.02487	5.6
308.03244	11.4
309.04047	19.1
313.07175	4.6
325.03683	6.8
335.01923	17.6
339.05246	4.9
353.02963	25.1
353.47128	2.6
354.03369	4.8
357.06082	26.1
367.04556	9.7
385.05658	100.0
386.05930	11.8
401.05200	4.0
429.04584	56.9
430.04889	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	429.0463
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36077	0.7
59.01379	19.7
61.98832	1.4
64.12450	0.7
67.59843	0.8
69.19015	2.5
69.19441	4.6
71.01382	6.6
73.02956	3.7
77.55779	0.6
82.48170	0.7
85.02962	1.5
87.70785	0.7
89.02441	2.5
89.03965	1.5
91.01881	1.2
91.51814	0.6
95.01385	0.8
98.19885	1.5
101.02456	2.9
103.64030	0.7
105.03481	4.4
108.02161	1.4
109.02906	1.4
112.51279	0.7
113.02436	1.3
115.00352	2.9
117.03429	1.2
117.87273	0.7
119.01347	1.7
119.03493	1.0
121.02967	1.2
123.04501	1.6
124.01685	4.1
125.02400	0.9
131.01390	1.0
133.01416	4.1
133.02928	7.9
134.03748	2.3
135.00845	2.2
135.04507	12.4
136.01665	2.0
136.04793	0.8
137.02480	1.0
139.03998	1.1
145.02943	2.1
147.00885	9.6
148.01712	1.4
149.02426	3.4
157.02901	1.1
161.02492	1.8
161.04466	0.8
163.04039	0.8
164.01115	1.1
167.03499	3.5
167.04895	1.4
171.04475	0.8
173.02478	1.0
175.00366	2.8
176.01164	2.0
177.01927	12.9
178.02603	1.7
179.03505	6.4
181.05063	4.2
181.06523	1.5
183.04543	1.3
189.01935	4.8
190.99828	1.0
192.00641	14.2
193.01205	1.5
195.04503	1.7
196.05359	1.1
197.06067	1.0
198.03191	0.9
201.01910	3.9
207.04495	1.0
209.04492	2.3
209.06096	2.8
211.03979	3.2
213.05455	0.9
216.00616	1.0
217.01398	9.8
220.00110	1.0
221.06085	1.0
223.04059	1.4
224.04767	2.4
225.05556	1.3
226.02789	1.3
229.26065	0.7
233.01067	0.9
235.04063	3.4
236.04538	1.3
237.05521	4.5
238.02792	0.8
239.03485	5.4
240.04268	4.5
242.01988	0.8
251.03488	2.2
253.05069	8.8
254.05473	0.8
256.03711	2.2
261.00290	2.0
263.03473	3.5
265.04974	1.8
266.02234	1.0
267.02963	2.6
269.04614	2.5
269.08154	1.5
279.03009	2.2
280.03680	0.8
281.04532	10.0
282.04953	1.4
295.02670	1.5
295.06113	3.0
297.04166	0.9
297.07516	1.3
298.01071	1.3
298.04474	0.9
307.02493	1.1
308.03299	3.4
309.03979	6.2
311.05502	0.9
313.07068	3.9
314.07425	1.1
323.05591	2.2
325.03601	3.2
335.01932	2.9
339.05121	2.9
341.06772	5.4
343.04636	1.8
353.02875	3.9
357.06250	3.5
367.04700	4.3
368.05481	0.8
385.05643	12.2
397.02078	1.8
401.05139	11.7
402.05450	1.2
411.03366	2.0
429.04605	100.0
430.04950	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.0461
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29472	1.3
55.66034	1.2
59.01377	1.9
61.88832	1.4
63.48729	1.3
68.95774	1.2
69.72776	3.3
69.73205	4.9
81.03456	1.9
89.03983	2.5
95.01387	2.2
105.03445	5.1
107.01386	1.7
117.03448	1.4
123.04518	4.6
124.01694	11.2
133.02950	5.5
135.00900	1.5
135.04567	2.0
139.03949	1.5
145.02931	3.8
147.00847	2.0
149.02437	3.8
161.02438	3.4
167.03511	11.6
173.02338	1.6
176.01193	2.6
176.25424	1.3
177.01930	18.2
181.05022	6.2
189.01894	7.0
193.06508	1.9
195.04659	1.6
201.01892	6.4
207.04529	1.6
209.04491	3.6
209.06145	2.2
211.04036	2.9
217.01401	21.9
218.01743	1.8
223.03984	1.6
225.05502	2.0
227.03455	1.6
235.04041	4.5
237.05598	4.8
239.03423	5.4
250.52419	1.6
251.03500	2.0
253.05020	12.6
263.03458	3.9
267.02969	3.3
267.06656	1.5
279.02917	3.9
281.04517	19.1
282.05087	1.5
295.02301	1.4
295.06073	4.0
297.04059	2.6
298.01001	2.1
299.02090	1.7
307.02420	5.7
308.03165	8.9
309.04013	17.1
313.07135	2.0
325.03415	5.2
335.01978	13.5
339.04996	3.7
341.06668	2.2
353.02966	18.7
357.06186	21.1
358.06482	2.6
367.04672	6.8
385.05630	100.0
386.05957	10.3
397.01773	1.8
401.05145	1.8
429.04559	19.1
430.05078	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	428.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98150	0.8
59.01378	12.5
59.50358	1.0
61.98829	100.0
65.38586	0.8
69.45798	6.5
71.01385	5.3
72.00917	1.1
73.02931	4.1
76.63161	0.8
83.01334	1.1
85.02933	1.6
95.51722	1.0
100.00417	4.8
101.02434	3.9
106.04227	2.3
107.05095	1.0
109.02940	1.1
113.02435	1.4
116.05023	1.4
121.02917	1.1
129.31285	1.0
130.06584	1.1
133.02940	3.7
135.01289	1.0
135.04523	40.1
136.04860	1.6
138.03087	1.0
140.10793	1.2
142.06645	8.7
161.02441	9.0
161.09698	3.0
162.10080	2.4
163.11259	1.9
179.10754	8.8
180.11133	9.4
181.05132	1.3
181.12328	2.6
186.05626	5.0
201.05547	1.1
202.05914	1.5
203.08284	1.1
203.10764	1.2
204.11084	2.4
223.09792	1.3
224.10107	1.1
225.11316	8.4
229.06146	29.0
230.06519	2.1
231.09908	0.9
285.21115	1.0
302.83151	0.8
324.06036	0.9
365.11380	21.3
366.11526	3.0
377.11734	1.0
428.22650	1.4
429.25076	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	428.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92120	2.1
59.01378	27.3
60.01719	2.0
61.98829	41.4
65.05113	2.3
69.14274	1.9
70.89588	2.0
71.01379	9.1
72.00912	3.8
73.02966	4.5
79.88765	1.8
85.02936	6.4
91.57127	2.0
98.62296	2.2
100.00401	12.2
101.02435	6.8
109.02934	3.0
113.02441	9.0
116.05103	2.6
121.02924	6.1
130.06616	3.2
133.02971	6.9
135.04526	100.0
136.04845	3.9
137.06123	3.1
142.06618	23.1
143.03523	2.2
144.08998	2.3
161.02431	35.0
161.09578	2.4
163.04002	13.1
174.03206	2.9
175.04117	2.9
175.07570	3.3
176.04736	17.9
179.10733	15.9
180.11137	15.9
181.05063	4.3
186.05571	17.1
187.07582	2.9
203.06961	11.7
205.08678	24.1
225.11156	2.0
229.06169	66.0
230.06563	4.2
273.35522	2.4
358.96194	2.2
365.11383	35.7
366.11612	5.3
367.11880	23.8
369.22855	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	427.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.0
59.01380	100.0
60.01717	1.0
61.98849	0.7
69.03456	0.9
71.01380	8.3
71.11330	1.2
72.99308	0.9
73.02951	4.9
79.03260	0.4
83.01408	1.6
85.02938	3.3
87.00887	1.3
89.02448	2.6
95.01376	0.7
99.00886	2.1
101.02437	4.2
107.05047	0.8
113.02454	2.3
115.00399	0.8
119.03556	0.8
134.03758	1.7
135.04547	1.6
135.08188	0.7
135.11839	1.1
151.04060	0.6
161.04576	1.3
161.09793	1.5
162.05611	0.9
163.07703	0.9
163.11261	4.3
165.09250	0.9
177.12822	0.7
179.10783	7.2
181.05090	1.1
181.12321	9.1
182.12645	0.6
187.07733	1.4
187.11264	1.5
189.12907	1.5
190.10016	1.9
201.05756	0.7
205.12384	2.4
217.34500	0.6
223.09766	4.1
223.13414	0.8
229.12370	0.8
231.10333	1.6
395.04224	2.2
427.19846	1.8
427.24783	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.0
59.01380	100.0
60.01717	1.0
61.98849	0.7
69.03456	0.9
71.01380	8.3
71.11330	1.2
72.99308	0.9
73.02951	4.9
79.03260	0.4
83.01408	1.6
85.02938	3.3
87.00887	1.3
89.02448	2.6
95.01376	0.7
99.00886	2.1
101.02437	4.2
107.05047	0.8
113.02454	2.3
115.00399	0.8
119.03556	0.8
134.03758	1.7
135.04547	1.6
135.08188	0.7
135.11839	1.1
151.04060	0.6
161.04576	1.3
161.09793	1.5
162.05611	0.9
163.07703	0.9
163.11261	4.3
165.09250	0.9
177.12822	0.7
179.10783	7.2
181.05090	1.1
181.12321	9.1
182.12645	0.6
187.07733	1.4
187.11264	1.5
189.12907	1.5
190.10016	1.9
201.05756	0.7
205.12384	2.4
217.34500	0.6
223.09766	4.1
223.13414	0.8
229.12370	0.8
231.10333	1.6
395.04224	2.2
427.19846	1.8
427.24783	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2333
Annotation	Lyoniol D
Peak:m/z	Relative Intensity
55.01875	0.5
57.03451	0.5
59.01379	100.0
60.01704	1.4
69.77345	1.5
71.01385	6.3
73.02956	1.9
80.82872	0.5
83.01410	0.7
85.02938	2.2
86.00159	0.4
87.00902	0.5
89.02460	3.1
92.56444	0.5
95.01407	0.8
101.02440	3.9
111.14688	0.5
113.02446	2.8
117.97365	0.6
119.03534	0.9
135.04561	0.7
143.03493	0.7
161.04601	1.7
179.05711	0.5
196.67400	0.5
245.08290	0.6
298.59442	0.5
329.10803	1.7
383.14139	1.2
385.22421	2.3
406.22742	0.7
424.45575	0.5
427.23389	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.9
57.89576	0.6
59.01379	100.0
61.98840	0.9
69.03465	1.0
71.01380	12.3
72.99317	0.6
73.02947	7.8
73.98325	0.5
75.30077	0.5
79.40088	0.5
83.01381	2.7
83.05017	0.6
85.02955	3.5
87.00890	1.8
89.02449	3.5
95.01432	0.6
97.06593	0.6
99.00873	2.9
101.02443	6.8
107.05031	1.2
109.59571	0.5
113.02453	5.3
115.00365	0.7
119.03490	1.9
121.02966	1.2
121.67452	0.6
131.03551	0.6
134.03764	1.0
135.04527	1.7
135.11823	2.4
136.07700	1.0
137.02461	0.7
161.04605	1.2
161.09752	2.3
163.11308	4.7
165.09221	0.9
171.08279	0.8
177.12906	1.4
179.03519	1.0
179.10774	11.8
179.12227	0.9
180.06665	0.7
181.05136	1.0
181.12344	10.9
182.02150	0.8
182.12778	0.6
187.11322	1.7
189.12872	2.2
190.09998	2.9
195.50108	0.6
201.05713	0.7
203.10779	0.6
204.11584	0.9
205.08743	0.8
205.12357	1.9
221.11858	0.6
223.09750	4.7
223.13304	1.0
231.10242	1.4
261.07040	0.6
265.10788	1.0
295.20746	0.5
309.08636	0.6
309.12552	0.8
327.09174	0.9
331.71161	0.5
395.04230	2.0
427.19617	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57052	0.4
57.03445	0.8
59.01379	28.6
60.13552	0.3
61.98831	0.6
69.03439	2.1
71.01379	6.6
73.02948	11.1
81.03454	1.6
83.01377	3.6
83.05032	3.0
85.02955	1.7
89.02441	0.8
95.05027	0.8
97.02940	1.1
98.19915	1.5
101.02435	5.6
105.07094	0.4
106.04240	1.7
107.08674	2.4
109.02956	4.5
109.06607	0.6
111.04507	0.8
113.02451	1.5
119.05032	0.9
121.02989	0.4
125.02393	0.5
129.07135	0.7
130.07033	0.4
133.06560	0.6
133.10220	1.1
135.04504	0.7
135.11801	8.3
137.06049	1.4
145.06558	1.9
157.10201	0.4
158.03711	1.2
159.08118	1.9
161.04539	0.9
161.09714	12.3
162.10126	1.0
173.06059	7.9
174.06395	0.8
175.11279	1.7
179.10770	100.0
180.11113	5.8
181.05072	4.0
181.06615	0.6
187.03928	1.2
193.12337	0.8
201.05565	21.8
202.06201	2.5
202.74193	0.4
203.05540	0.5
203.10728	3.2
205.08760	2.5
221.11778	0.9
223.09744	23.0
224.10081	1.5
229.66982	0.4
248.83278	0.4
265.10800	1.7
347.21051	0.4
352.47156	0.4
395.03912	0.8
427.15878	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68529	0.7
59.01378	34.3
61.43095	0.8
65.97034	0.8
67.26038	0.8
69.03456	1.4
69.81028	4.2
69.81307	1.1
71.01387	8.8
73.02950	21.7
75.00871	0.8
81.03458	1.1
83.01386	4.9
83.05018	1.1
85.02956	2.3
89.02426	1.3
94.85707	0.8
97.02925	0.9
98.19966	1.3
101.02435	9.7
106.04250	5.1
107.05017	2.0
107.08663	1.5
109.02948	3.1
113.02442	3.3
132.05763	0.9
134.70535	0.8
135.11797	6.1
137.06081	1.4
138.03246	1.2
144.69460	0.8
145.06546	1.0
158.03838	0.9
159.08167	2.3
159.11784	1.5
161.09727	20.6
173.06100	6.4
175.11275	2.3
179.10776	100.0
180.11157	3.9
181.05060	1.9
187.03937	1.0
193.12289	1.1
201.05544	15.4
202.06058	3.0
203.10762	6.4
205.08640	2.2
221.11879	1.5
223.09747	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	427.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68590	1.1
57.03436	2.4
58.00579	1.2
59.01378	100.0
61.98822	2.0
62.95772	1.1
69.03444	2.5
69.84689	4.2
69.85105	2.3
71.01385	21.7
72.99297	1.6
73.02952	16.0
75.00856	1.3
83.01382	5.3
85.02956	6.2
87.00864	1.7
87.04527	1.6
89.02426	4.3
93.25355	1.1
95.01369	2.1
97.02962	1.2
97.06567	1.5
99.00861	4.1
101.02447	13.4
107.05043	1.7
109.02976	1.8
109.06609	1.3
113.02452	8.8
115.00397	2.0
119.03485	1.2
123.08142	1.0
125.02444	1.6
125.06067	1.2
131.03503	1.9
133.01416	1.3
134.03711	3.1
135.04489	3.2
135.08081	1.7
135.11790	8.2
136.07680	5.5
137.02354	1.9
143.03488	1.5
155.03558	1.8
159.08145	1.2
159.11761	2.6
161.04512	2.8
161.09689	9.3
163.11246	4.3
173.05977	1.6
177.12856	7.9
179.10762	44.9
180.06630	5.1
180.11107	2.6
181.05009	2.0
181.12375	7.3
182.02142	1.1
187.07629	1.6
187.11284	1.7
189.12880	2.4
190.09946	1.1
193.12274	2.5
194.08232	1.3
201.05556	1.7
202.06339	2.5
203.10695	3.1
205.08699	2.7
205.12273	3.5
221.11716	3.4
223.09749	9.2
231.10236	3.8
245.08253	1.3
265.10767	2.3
267.06659	1.2
286.08325	1.3
309.12555	2.1
311.05530	1.0
327.09027	1.8
409.22308	2.4
427.14050	2.1
427.23428	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	427.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.3
57.03450	1.3
58.00613	0.3
59.01378	36.1
60.01728	0.3
65.03968	0.3
65.46331	0.3
65.93233	0.3
67.01879	0.3
69.03465	1.2
70.60539	0.3
70.84207	0.7
71.01379	11.9
72.99321	0.4
73.02944	19.7
75.00871	0.4
80.02706	0.4
81.03464	1.0
81.97810	0.2
83.01386	4.4
83.05022	2.0
85.02958	3.2
87.41581	0.3
89.02465	1.1
91.05513	0.3
93.03468	0.4
93.07116	0.4
95.01386	0.5
95.05041	0.3
96.35600	0.2
97.02970	1.2
97.06616	0.3
98.21210	0.3
99.00918	0.7
101.02440	10.7
105.07102	0.5
106.04238	8.8
107.05036	3.9
107.08675	2.0
108.02164	0.5
109.02950	6.1
109.06598	0.6
111.04521	1.2
113.02446	3.5
115.05557	0.3
117.07118	0.6
117.47815	0.3
119.03546	0.6
119.05012	1.2
119.08627	0.4
121.02975	0.6
123.04613	0.3
125.02452	1.2
125.70869	0.3
129.07109	0.4
131.03497	0.4
131.08665	0.3
132.05850	0.4
133.06599	1.1
133.10223	0.9
134.03899	0.3
135.04512	1.0
135.08157	0.4
135.11797	7.7
136.12093	0.3
137.06068	1.9
138.03210	1.9
143.03433	0.6
143.08662	0.4
145.06567	2.2
145.10220	0.4
147.08122	0.3
149.04578	0.6
149.06093	0.9
155.03516	1.4
157.06615	0.4
158.03755	1.6
159.08162	1.6
159.11775	2.6
161.04533	1.0
161.09712	22.7
162.10057	1.3
163.07642	0.4
173.06068	10.6
174.06395	0.7
175.11250	1.4
177.09215	0.5
177.12794	0.3
179.10767	100.0
180.11104	5.2
181.05057	4.6
187.03973	1.5
187.07635	0.8
189.12900	0.5
193.12274	0.5
201.05560	27.5
202.06151	3.3
203.05623	0.6
203.10762	10.4
204.11101	0.8
205.08643	2.6
215.10843	0.6
221.11818	1.4
223.09755	12.7
224.10036	0.9
231.10257	0.8
233.11839	0.4
247.09723	1.6
258.22925	0.3
265.10825	1.0
266.11221	0.3
277.10754	0.9
289.10773	1.2
427.15884	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.0516
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01351	7.4
68.97179	3.9
69.61752	13.6
69.62167	15.5
71.01345	11.3
73.02940	18.1
74.62008	4.6
75.00872	32.7
78.95913	9.0
89.03973	9.5
93.03416	8.4
96.96963	11.5
99.00869	6.2
105.03477	34.9
107.01339	6.0
107.21410	4.7
109.02931	15.1
117.03430	49.3
119.04993	17.1
121.02952	15.4
123.04516	9.2
131.01457	6.1
131.05011	10.7
133.02950	79.2
135.00894	42.7
135.01747	5.9
135.02080	5.6
135.02998	51.7
135.04550	12.9
137.02414	12.7
142.99852	9.5
143.01382	10.7
145.01379	7.0
145.02951	28.2
147.01028	5.7
147.04485	15.5
148.01616	19.0
149.02425	26.5
151.00340	9.9
159.04472	5.2
161.02431	70.2
162.03143	16.9
163.00392	32.0
163.03987	13.6
165.01915	21.5
165.05571	11.0
167.03481	7.6
173.02341	10.4
175.03972	22.9
176.01097	16.4
177.01935	87.1
178.02406	6.1
179.03546	7.7
187.00294	6.3
189.01924	37.2
190.02649	8.4
191.03479	20.6
193.05034	14.3
201.01878	7.9
201.39819	4.5
203.03479	6.1
205.01366	22.9
207.02953	20.2
209.04550	69.0
214.99805	32.7
217.01358	23.5
219.03030	36.4
221.04572	66.0
231.02846	5.3
233.00964	12.0
235.02412	7.4
236.03305	30.0
237.04028	100.0
239.05589	26.0
247.02457	51.4
249.04028	79.6
250.04700	8.2
251.03325	7.2
251.05638	52.9
255.05249	9.0
263.02072	5.4
263.05460	8.5
264.02750	22.8
265.03519	77.3
265.06387	7.8
267.05093	11.2
277.03564	8.4
279.05014	14.8
291.05072	10.0
309.06061	18.9
321.06339	6.5
328.84677	5.6
339.07385	30.7
351.03586	76.9
352.04141	9.1
383.06210	80.8
384.06317	7.0
395.02405	7.1
427.05173	14.5
438.60855	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	425.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06109	2.0
51.41715	1.8
59.01383	100.0
69.96149	7.1
71.01384	23.3
73.03016	1.8
85.02968	2.7
87.47845	1.8
87.56551	1.9
98.19949	2.5
101.02474	4.3
104.81674	2.1
105.84342	2.1
108.98334	1.8
111.60072	2.4
115.00323	2.5
133.01483	2.3
133.47543	1.9
147.06665	7.8
177.01910	2.0
201.07652	5.6
216.47664	1.8
222.31799	1.9
263.11322	5.0
305.12427	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	425.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42542	0.4
52.14475	0.3
55.33916	0.3
57.03428	0.4
58.96826	0.4
59.01381	6.8
66.65754	0.3
71.01394	2.4
71.52712	0.5
73.02951	1.2
76.57431	0.4
85.02959	0.9
87.00896	0.4
89.02472	0.5
94.94090	0.4
101.02424	2.0
113.02435	1.2
119.03536	0.5
121.02956	0.6
125.02462	0.6
133.97388	0.4
134.89801	0.4
135.04546	0.6
148.05305	1.7
177.01881	0.4
178.10036	0.6
205.12325	15.8
206.09492	5.3
206.12575	0.9
207.09926	0.5
207.13858	0.9
220.14673	100.0
221.15276	15.1
221.65759	0.4
231.39545	0.4
242.15845	0.5
263.16559	0.6
268.07224	0.4
283.09821	0.5
365.19363	0.5
368.14713	3.1
369.14847	0.5
405.22015	0.7
425.21704	22.2
425.30688	0.9
426.21906	3.5
443.31445	1.2
445.33383	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.9
59.01376	10.8
61.98835	4.9
66.05840	0.7
70.11104	1.3
70.11504	2.2
71.01389	5.4
72.99295	1.3
73.02951	13.0
82.23273	0.7
84.34452	0.8
85.20650	0.9
87.00881	24.0
88.01213	0.9
97.06582	5.7
98.89883	0.8
99.00878	1.6
105.03448	1.4
106.04206	1.3
107.05045	1.6
115.00432	1.2
117.01943	45.5
118.02245	0.9
121.02949	3.0
132.99597	0.9
133.02928	7.0
134.03741	100.0
135.04564	20.2
136.04849	1.0
137.02423	2.1
139.04041	1.1
160.01617	1.0
161.02316	0.7
162.05554	1.6
173.02411	0.8
177.01904	7.2
178.02705	19.5
179.03488	4.4
186.17381	0.8
187.07635	1.0
191.03497	0.9
221.06105	0.8
231.10262	4.1
234.05196	1.0
275.09216	6.7
307.11853	90.9
308.12219	6.9
363.14252	1.4
406.16391	0.8
412.40808	0.8
425.12857	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
57.96915	4.6
59.01384	51.2
61.73341	3.8
69.89695	16.7
71.01383	39.9
71.05026	20.3
72.20636	4.4
73.02944	35.4
83.01379	8.0
85.02961	10.5
87.85120	3.9
89.02447	9.2
98.19865	4.4
101.02438	15.9
105.03453	8.1
113.02464	24.1
119.05062	5.5
121.02959	34.1
123.04463	5.9
133.02959	6.6
134.03764	37.6
149.09760	6.7
161.02458	78.8
165.81560	3.8
177.09088	5.9
178.02715	7.6
189.01970	15.4
210.74861	4.1
219.03014	13.4
221.08197	100.0
222.08559	11.4
224.98869	4.1
269.48917	4.7
312.21393	4.5
425.13217	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	424.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52599	1.9
57.03434	2.2
59.01343	2.0
65.97019	1.9
71.05019	16.2
71.52312	2.5
78.95912	2.7
86.82204	1.9
88.88790	1.8
97.06590	4.5
111.06805	1.8
115.07659	3.8
127.11282	24.8
145.33542	1.8
151.11218	2.9
153.12799	4.3
156.10335	2.3
167.14400	51.3
168.14711	4.2
169.12337	68.5
170.12656	3.4
182.15489	5.4
191.43187	2.1
197.51874	2.2
211.13374	79.3
212.13676	5.0
212.16489	3.8
227.20174	14.8
229.14433	100.0
230.14754	6.6
254.17557	10.1
265.21722	8.7
272.18677	57.5
272.21320	1.5
273.18997	4.3
309.20700	8.2
326.23389	17.6
332.49115	2.3
346.07782	1.8
406.29712	4.8
424.25314	2.4
424.30640	40.3
425.30826	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	424.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07635	1.2
58.86938	1.4
59.01380	22.1
59.25979	1.3
61.98829	100.0
69.21967	12.5
71.01377	13.5
73.02952	11.3
83.01387	2.3
85.02945	1.8
92.51415	1.2
98.19924	2.6
99.00889	1.4
101.02438	8.1
113.02475	3.0
113.05429	1.8
113.06096	12.0
115.00383	9.5
116.00729	2.3
127.07633	3.8
132.99690	1.3
133.01431	20.9
133.02954	1.6
134.01768	4.3
134.03700	2.4
135.01994	1.5
135.03003	4.3
135.04512	7.5
137.06047	2.8
152.07098	1.8
155.07114	2.7
160.03967	1.8
179.03462	1.5
181.05005	3.1
187.07597	4.4
188.07997	2.3
202.06335	1.6
203.06740	2.6
215.07146	1.8
232.10620	2.7
242.08023	1.4
264.13113	2.7
275.09369	1.5
293.10248	1.3
307.11951	1.4
308.12231	3.6
334.10883	3.3
362.13892	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85615	20.7
59.01369	86.9
69.78555	78.7
69.78967	30.2
71.01372	48.0
78.59881	19.8
101.02425	22.5
115.00352	69.8
123.08139	19.7
133.01405	100.0
135.04512	25.5
167.41080	19.3
174.03174	24.8
195.75476	21.1
201.11073	23.1
280.09952	21.1
423.18329	70.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
63.75819	0.3
68.79557	0.3
69.29508	2.8
78.95904	11.4
82.66537	0.4
93.40379	0.4
94.99026	0.4
95.15289	0.4
104.97488	0.6
110.98532	8.0
167.01149	10.6
185.02220	2.0
212.38319	0.4
231.06784	0.4
251.23482	0.4
255.23282	100.0
256.23602	8.6
316.40799	0.4
423.25137	17.9
424.25635	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	423.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.8
70.83545	1.3
70.83883	2.7
71.01382	56.1
73.02912	2.4
73.76273	1.2
75.07233	0.9
83.12319	1.0
85.02923	2.0
97.06594	5.3
101.02430	2.7
113.02472	1.6
115.00374	14.9
133.02928	4.2
134.03743	100.0
135.04588	15.3
137.02438	2.8
139.04007	1.4
152.99570	1.0
161.04517	1.9
177.01967	6.8
178.02715	22.0
179.03424	3.4
188.55087	1.1
231.10216	5.7
275.09262	10.4
291.18210	5.5
307.11853	77.1
308.12268	6.9
366.37762	1.2
379.17734	1.0
423.16879	1.1
423.22418	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	423.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01930	0.7
59.01367	2.2
64.93896	0.7
69.32428	1.8
69.32841	4.2
71.01380	67.5
72.01690	0.8
87.00912	1.0
92.71208	0.7
97.06586	3.1
98.19853	1.1
105.03458	2.1
108.64746	0.7
113.02449	1.8
115.00369	18.7
121.02929	2.4
129.01984	1.2
133.02951	16.7
134.03745	62.0
135.04576	8.5
137.02446	14.4
139.03995	3.3
139.06934	0.7
149.02400	1.0
150.03275	1.4
161.02405	1.2
162.03220	2.8
177.01927	31.0
178.02708	100.0
178.82571	0.7
179.03340	8.2
213.09235	1.6
231.10254	8.4
246.45322	0.7
275.09241	26.8
276.09656	2.2
307.11856	16.1
308.12289	1.5
325.06958	1.3
379.17194	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
59.90660	1.3
61.98535	2.1
61.98831	30.5
69.36730	10.6
71.01382	58.6
73.02949	7.2
77.27440	1.2
80.18014	1.2
81.03447	3.1
83.01385	12.2
85.02956	8.7
87.04508	1.8
89.02431	4.3
89.06076	3.9
95.01373	4.3
97.02944	2.5
99.00919	2.0
99.87920	1.5
101.02415	11.7
102.36193	1.4
112.01634	3.2
113.02455	16.5
115.00346	4.5
121.02958	30.8
122.03248	1.7
125.02415	3.9
133.01404	7.4
133.02940	1.7
134.03754	6.5
135.04543	8.0
137.02377	2.9
141.39784	1.4
143.03474	2.1
146.26178	1.2
177.01892	2.7
178.02699	2.8
179.03419	2.3
187.07654	3.1
196.03577	1.3
197.90965	2.3
201.09126	1.9
202.06374	2.0
231.10268	3.6
233.10275	37.0
234.10637	1.9
237.07704	2.3
242.15480	1.3
275.09085	2.9
307.11887	10.1
308.12283	1.4
380.15189	1.5
381.11786	5.3
392.99203	1.3
423.12955	30.3
423.24344	4.7
424.13507	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	423.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11488	0.8
50.27170	0.8
51.14389	0.8
55.01874	1.5
57.03442	2.8
59.01379	100.0
60.01725	0.9
61.98834	1.3
67.19307	1.2
68.99806	1.7
69.03445	2.4
69.63947	0.9
71.01382	63.8
71.52748	0.9
73.02946	8.3
79.43343	0.9
81.03463	3.6
83.01381	14.7
85.02940	11.2
85.38971	0.9
87.04539	2.0
88.58006	0.9
89.02419	3.5
89.06083	5.4
95.01388	3.4
97.02950	3.2
97.22863	0.9
99.00877	2.4
101.02444	12.6
112.01653	2.2
113.02458	16.5
121.02957	44.6
122.03263	1.8
125.02434	5.9
131.07123	1.8
135.04477	1.7
137.02412	1.0
142.02672	1.1
143.03473	2.5
145.02951	1.1
149.02486	0.8
161.04572	2.1
177.01851	0.9
202.06429	1.3
203.10863	0.9
210.05037	1.7
214.53859	1.0
229.65520	1.0
231.10265	2.7
233.10278	47.8
234.10683	2.1
237.07678	1.5
275.11346	1.2
381.11954	6.6
423.12946	47.3
424.13519	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	423.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98927	0.9
59.01376	14.7
61.98816	2.0
62.71872	0.9
63.87625	0.8
71.01382	58.1
71.52397	1.2
72.33010	1.3
72.99300	1.5
73.02940	6.3
75.20186	1.2
80.53704	1.0
83.01399	1.9
85.02954	8.6
87.00864	1.2
89.02435	3.4
93.03448	1.7
95.34775	1.0
97.06576	3.9
99.00868	2.9
101.02445	10.9
105.03447	7.8
109.00932	1.3
113.02489	5.8
115.00378	26.5
120.99627	3.1
121.02958	6.9
123.04580	1.2
133.01357	2.3
133.02959	67.2
134.03748	76.9
135.04556	13.7
137.02444	34.7
137.03227	0.8
137.03491	1.3
139.04005	9.8
149.02493	2.6
150.03209	3.9
159.04465	1.4
161.04543	3.6
166.84482	1.0
177.01927	100.0
178.02704	61.6
178.04056	0.8
179.03435	10.0
180.22136	1.0
187.07558	2.9
203.10724	2.2
209.04558	1.4
213.09175	1.9
231.10265	17.5
232.10722	1.9
232.96112	1.1
253.05064	1.1
263.12802	1.9
264.07251	1.1
275.09244	70.7
276.09534	6.4
291.18161	14.7
297.07727	1.5
307.11862	33.1
308.12192	3.6
325.07004	4.9
326.07828	1.9
353.78726	1.0
423.15482	1.4
423.22354	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	422.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97560	18.4
58.97506	0.9
58.97892	0.9
59.01377	14.6
59.97138	1.7
60.01713	1.3
61.98830	100.0
69.26476	3.3
69.26881	1.1
71.01382	21.9
72.99299	3.5
73.02950	2.3
82.66879	0.5
83.01369	1.1
83.61679	0.5
85.02947	1.8
87.00873	0.8
89.02460	2.3
95.01372	0.7
96.59256	0.6
101.02455	2.3
113.02441	2.6
115.00375	49.0
116.07207	0.6
133.01431	98.9
135.04530	1.6
146.03824	0.6
147.04552	0.7
151.03976	0.8
158.03790	0.6
159.04515	1.4
161.06107	0.5
163.03925	0.5
172.05345	1.5
173.06038	2.5
174.06848	2.4
175.07655	0.6
178.18927	0.6
187.04039	1.6
187.07637	19.0
196.03662	0.6
197.06038	0.8
200.04671	0.6
201.05595	2.9
202.06369	7.9
203.10796	2.3
213.09248	2.8
215.07166	3.6
231.10223	9.1
245.11784	1.1
248.10519	0.8
263.12881	11.2
275.09241	12.5
307.11853	25.6
329.10291	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	3.6
61.63651	0.7
69.54163	2.9
69.54572	2.7
71.01382	73.5
72.01723	1.7
72.99303	0.8
73.02934	1.0
73.95692	0.8
85.02943	2.6
89.02467	1.2
97.06575	2.3
98.19958	1.0
101.02441	2.5
106.04227	1.3
108.48966	0.8
113.02414	3.1
115.00378	20.9
117.85894	0.9
121.02939	2.8
133.02951	16.1
134.03745	69.4
135.04556	16.5
137.02443	12.7
139.04001	2.5
150.03232	1.6
161.02441	0.9
162.03200	2.9
177.01929	30.2
178.02707	100.0
179.03453	18.2
231.10245	8.1
239.59419	0.9
257.08276	0.8
275.09250	29.3
276.09464	2.8
291.18121	1.3
307.11874	23.1
308.12228	2.8
420.74283	0.9
423.22473	0.8
434.62241	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37575	0.6
57.08991	0.6
69.46713	0.6
78.95900	29.6
90.51686	0.6
110.98531	50.4
121.69994	0.7
152.99564	4.7
163.55476	0.8
167.01140	1.7
175.88420	0.6
182.31010	0.7
185.02193	100.0
186.02530	2.7
248.44034	0.7
253.21722	24.8
254.22011	2.5
265.13602	0.6
303.65311	0.6
404.89758	0.8
421.23550	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2079
Annotation	1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1->6)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01663	0.8
55.01878	6.8
55.52111	0.9
57.03440	4.6
58.00584	1.7
59.01380	40.3
59.51862	0.8
61.98811	1.0
63.59075	0.8
69.03439	2.7
69.53575	6.2
70.18523	0.8
71.01380	100.0
71.05019	1.0
72.01718	1.2
72.99294	3.5
73.02946	43.1
75.00860	2.9
78.90483	0.7
81.03437	1.8
83.00925	1.2
83.01386	15.1
85.02950	43.5
85.66062	0.8
87.00865	6.2
89.02441	24.4
91.92572	0.8
95.01383	8.0
97.02965	4.3
97.79350	0.8
99.00877	19.0
99.04478	0.9
99.92625	5.5
101.02438	63.6
102.02774	1.7
110.77454	0.8
113.02445	33.8
114.02821	1.1
115.03989	3.4
115.92091	6.3
116.92102	1.1
116.92864	15.8
117.92886	0.9
121.02959	1.3
125.02452	7.4
127.11245	1.9
129.01952	1.6
131.03532	4.9
135.04482	2.5
137.02507	0.8
143.03470	4.2
149.02423	1.3
149.04483	2.4
150.56445	0.8
159.02997	8.9
161.04543	42.3
162.04840	1.1
177.01859	1.0
191.05589	2.7
205.03470	1.0
233.06648	8.7
279.96863	0.9
288.95880	0.9
289.16559	55.5
290.16830	5.0
293.08560	3.4
359.02365	1.3
377.03152	5.3
421.20670	82.8
422.20981	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	421.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.5
59.01377	9.1
61.98831	1.6
69.26987	8.3
70.02976	9.4
71.01366	4.8
71.05025	13.8
83.00184	1.1
85.02975	1.0
87.05650	4.2
89.02431	1.7
93.03456	4.0
98.20656	2.1
99.04519	6.3
101.02455	3.5
109.02943	2.2
115.05141	2.1
116.07183	3.6
128.07230	1.0
129.05586	1.4
130.03334	8.0
133.02936	3.0
134.03693	1.4
135.04527	15.2
137.02422	2.8
146.08229	80.7
147.05974	3.8
147.08604	2.8
161.02451	13.3
172.43231	0.8
175.22345	1.0
179.03465	8.7
211.07608	4.4
215.12872	1.5
217.11932	17.7
218.12123	1.2
241.14549	1.4
255.06677	2.9
259.11160	1.6
273.07645	5.7
277.12265	100.0
278.12619	7.1
316.80606	1.1
317.06744	3.4
358.09045	1.7
377.09296	1.0
377.18256	4.0
421.20993	11.0
449.46268	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.165
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22112	0.8
55.01892	0.8
57.03458	1.0
57.97561	100.0
59.01377	74.1
60.01712	1.3
60.97544	0.9
61.98828	1.7
69.03452	0.9
71.01382	23.1
71.53172	1.1
72.59404	0.7
72.99321	1.7
73.02943	15.0
80.14532	0.8
81.03444	0.9
82.49305	0.8
83.01378	3.6
85.02950	6.2
86.06116	5.8
86.44127	0.8
87.00849	1.3
88.07722	0.9
89.02463	3.3
89.03985	0.8
89.11788	0.7
91.03070	0.8
95.01393	1.7
96.96009	2.0
97.02988	0.8
99.00890	1.6
101.02440	18.2
102.02774	1.3
105.03461	12.4
109.02962	3.8
109.69571	0.8
113.02446	6.0
115.00396	1.0
116.07149	4.3
118.42688	0.8
119.03519	1.1
121.03020	1.9
125.02456	1.0
130.03334	2.7
133.01422	1.0
133.02975	7.0
134.03792	1.5
135.04564	3.5
137.02444	16.1
143.03560	1.3
148.01613	3.5
149.02419	6.4
150.03239	0.7
161.04543	3.9
177.01909	18.6
177.03316	1.2
178.02612	2.1
186.57709	0.8
200.05655	1.6
209.04536	33.5
210.05266	10.8
211.13521	1.8
215.07077	0.8
221.08325	1.7
230.10330	1.2
237.16856	2.9
237.66878	4.0
260.11334	4.4
278.12442	5.0
320.13614	2.9
421.17978	1.1
421.22852	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.7
57.97559	100.0
58.97867	0.7
59.01377	61.3
60.01701	0.7
60.97517	1.0
69.28726	6.0
71.01380	12.7
73.02946	12.9
83.01376	4.2
85.02971	2.6
86.06110	5.6
88.07673	0.9
89.02465	2.7
89.12195	0.7
95.01389	1.0
98.20621	1.2
101.02441	13.4
105.03482	3.2
108.46729	0.7
113.02467	3.9
116.07211	3.8
119.03386	0.9
122.55826	0.8
125.02459	0.7
130.03352	2.5
131.03485	0.8
133.02930	1.6
135.04549	1.7
137.02429	4.0
139.09825	0.8
143.04669	0.7
148.01691	0.8
149.02437	1.3
158.08224	0.9
161.04579	2.8
177.01932	5.0
192.68842	0.7
201.05605	0.8
207.98399	1.4
209.04543	9.9
210.05270	3.0
230.10234	1.2
232.84126	0.7
260.11316	4.1
265.23950	0.9
278.12430	5.2
309.47986	0.7
320.13538	2.8
334.09604	1.1
427.24915	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	24.4
61.98830	92.5
71.01385	4.4
72.00906	2.0
83.78170	1.1
85.02920	1.5
87.00877	1.5
89.02448	2.8
93.03445	8.7
100.00378	6.1
101.02433	3.3
107.05044	1.8
109.02935	3.8
113.02422	1.7
121.84923	1.1
123.04512	4.1
126.14834	1.1
133.02960	10.0
134.03740	3.2
135.04523	100.0
136.04880	4.5
137.02417	5.1
150.05560	1.3
151.03987	3.0
152.07155	2.9
155.03424	1.5
160.04042	11.3
161.02440	48.4
162.02780	2.3
178.05096	54.7
179.03490	18.5
179.05246	2.4
183.95883	1.1
185.06050	1.3
196.06206	3.2
211.07697	3.4
222.04063	46.0
223.04399	1.9
255.06570	2.8
273.07736	5.7
273.10263	1.1
280.72595	1.3
317.06647	3.7
358.09296	62.1
359.09689	7.5
377.08878	1.5
421.20630	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51278	1.6
51.59215	1.8
59.01360	4.4
69.38701	1.7
83.24628	1.7
85.11264	2.2
85.47550	1.9
93.03455	33.7
98.19939	4.5
107.04990	5.4
109.02939	7.8
111.04526	3.9
113.44296	2.2
117.03436	3.9
133.02953	22.7
134.03685	7.4
135.04521	87.1
136.04831	5.2
137.02455	15.9
155.03549	3.4
159.04539	4.9
161.02437	100.0
162.02759	5.3
174.06853	2.1
179.03496	52.6
185.06004	4.0
186.28720	1.9
209.06010	7.0
211.07632	28.9
212.07893	3.6
229.08661	5.8
255.06679	10.3
273.07706	39.7
274.07959	3.5
299.05490	4.0
317.06644	27.1
318.07028	2.1
377.08728	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	421.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
58.48698	1.8
59.01373	7.2
69.58015	11.9
89.50549	1.8
93.03458	19.0
99.92577	2.7
109.02980	2.8
111.04518	3.6
133.02925	6.7
134.03711	5.7
135.04526	100.0
136.04872	4.3
137.02434	16.4
141.09227	2.8
145.91603	2.0
155.03531	2.9
161.02435	30.4
179.03502	74.4
180.03827	4.3
180.77333	1.9
197.13651	1.7
199.41605	1.8
211.07652	11.4
221.86784	2.0
229.08679	1.9
255.06740	8.7
273.07587	4.2
317.06583	5.5
377.08777	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	420.2753
Annotation	6-Deacetylperegrine
Peak:m/z	Relative Intensity
51.25820	0.4
55.00185	0.3
59.01374	0.6
61.98839	0.4
66.25069	0.3
71.52468	0.7
80.14889	0.3
81.42664	0.4
93.03463	0.7
121.02953	100.0
122.03284	3.6
159.85986	0.4
164.92200	0.4
258.00824	0.3
420.27530	49.1
421.27896	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	421.0752
Annotation	CHEBI:82808
Peak:m/z	Relative Intensity
57.03430	0.2
59.01371	1.3
64.20831	0.2
67.01893	0.3
69.03458	0.3
69.55583	1.1
71.01366	0.6
73.02980	0.2
81.03445	0.2
83.05025	0.2
85.02950	9.4
87.00878	1.4
93.03461	3.0
98.20628	0.4
99.04524	0.4
105.30616	0.2
109.02950	0.8
111.04519	1.0
111.87039	0.2
113.02421	0.2
127.04012	2.8
171.02988	0.5
173.04581	1.0
191.05608	100.0
192.05957	3.6
236.09743	0.2
244.58516	0.2
307.10034	0.2
317.15259	0.2
421.07529	7.8
422.07779	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3167
Annotation	6-Ethylchenodeoxycholic acid
Peak:m/z	Relative Intensity
50.15134	0.8
57.03450	0.9
59.01373	1.7
70.42517	3.1
73.19136	0.8
103.24221	0.8
111.73164	0.8
111.75626	0.8
116.70653	0.8
116.92846	3.2
223.62251	0.9
313.25375	3.1
341.28491	3.7
355.29843	1.1
357.31616	57.4
358.31918	7.9
375.32642	3.6
397.87717	0.9
401.30582	1.5
412.84128	1.0
419.31659	100.0
420.31992	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	420.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59335	2.1
58.02981	8.2
59.01375	8.4
62.38890	2.5
62.76202	2.4
66.57401	2.4
71.01390	4.6
71.45181	2.1
71.50813	3.6
71.51205	3.3
74.02476	22.9
78.95934	4.2
82.03004	2.6
82.96960	2.2
86.02471	5.3
87.05658	8.1
96.96955	3.8
99.05651	14.4
116.01682	2.7
119.05005	3.1
125.03535	2.9
127.05149	3.7
128.03542	50.6
129.03874	2.3
135.04494	2.6
135.05611	3.6
143.04636	62.1
146.04639	7.9
153.06645	4.4
160.00743	13.4
164.69576	2.3
167.04651	3.0
167.08224	3.2
167.93626	2.4
177.03419	4.4
179.04620	10.9
184.49652	2.1
197.05669	2.7
210.08882	9.1
254.07790	20.0
272.08823	25.4
288.06595	7.9
306.07657	100.0
307.08041	3.1
338.96652	2.8
416.49387	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	419.2802
Annotation	Diacarperoxide G
Peak:m/z	Relative Intensity
59.01376	1.3
61.98822	1.0
69.32506	3.2
81.95544	0.4
82.65375	0.4
91.24991	0.4
93.03439	0.5
93.42297	0.4
117.03464	28.3
118.03722	0.7
119.05026	38.0
120.05346	1.3
121.02956	13.2
122.03371	0.5
123.04517	4.0
133.02936	2.6
134.03697	1.3
145.02954	57.0
146.03284	2.7
146.77646	0.4
151.43109	0.4
162.03250	3.5
163.04005	14.7
163.74287	0.5
164.04379	0.5
238.44388	0.5
242.59731	0.4
419.28012	100.0
420.28366	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	419.1115
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66593	1.4
59.01377	13.6
62.59044	1.2
63.84658	1.7
69.45868	5.2
69.46295	5.0
71.01366	3.6
71.05026	14.5
101.02434	1.7
121.02960	10.5
134.03748	20.5
135.04489	2.3
142.00098	1.4
147.00812	3.8
147.59109	1.6
149.09679	2.3
153.64091	1.4
162.05573	2.7
177.09161	4.8
183.10278	1.4
193.57747	1.6
211.17854	1.4
221.08179	100.0
222.08527	6.0
243.59679	1.3
261.10049	1.5
332.06750	1.7
367.51376	1.6
405.66113	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02967	0.2
59.01106	0.3
59.01382	3.3
69.27578	1.0
69.28001	1.0
71.01369	0.6
85.02900	0.2
98.19917	0.4
101.02465	0.3
110.99098	3.6
111.99900	1.2
113.02460	0.4
120.02157	1.4
123.99866	0.6
131.01361	0.3
135.99883	5.2
137.97812	0.3
147.00903	0.7
150.98569	0.3
151.99376	4.8
152.99702	0.3
163.99345	0.5
165.00142	0.5
175.00322	0.7
176.01149	1.7
177.01805	0.3
178.98061	2.5
179.98866	11.9
180.99176	0.4
206.97537	0.3
207.98347	100.0
208.99014	13.0
209.99376	0.5
212.37480	0.3
220.53116	0.2
259.89642	0.2
298.83969	0.2
398.21225	0.7
419.11646	4.7
419.23230	0.6
420.12411	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14231	24.9
59.01377	100.0
61.04076	26.9
61.98812	47.5
71.01373	31.7
71.46906	25.0
74.92390	27.9
85.85053	25.2
86.51432	26.0
94.70999	22.0
112.85754	22.9
135.04567	38.3
151.03944	28.2
257.04095	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50154	0.8
54.34556	0.9
56.41899	1.0
58.24659	0.9
59.01376	10.1
61.76461	1.0
61.98831	100.0
70.99515	2.6
71.01370	3.2
73.79429	0.9
85.89404	0.9
89.02448	1.4
94.74083	0.9
96.96002	3.1
96.96986	1.4
98.95585	5.3
98.96476	1.1
101.02460	2.4
113.26144	1.0
115.00392	1.9
133.01366	1.9
133.02496	1.1
135.04510	3.3
136.87587	0.9
144.04460	1.1
161.94943	0.9
178.84137	0.9
208.77432	1.0
215.09258	1.1
257.04562	1.2
285.04117	1.3
301.03616	2.4
308.85110	1.1
315.70068	1.1
333.08679	1.8
397.49652	1.1
418.14465	8.3
419.14832	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0942
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44386	1.5
51.73548	1.6
55.18969	1.6
59.01112	2.0
59.01383	29.4
61.98830	94.3
68.94743	1.5
69.43266	11.3
71.01393	8.7
73.02938	3.1
75.06915	1.6
85.02930	1.9
96.95996	5.0
101.02440	5.1
106.06620	95.2
107.06928	2.2
113.02420	4.3
115.59772	1.7
150.05598	100.0
151.05908	3.5
164.07155	16.5
167.28465	2.1
183.10242	6.6
192.06659	11.1
194.04582	20.4
201.89769	1.7
212.10869	2.4
255.11317	3.3
257.04401	1.9
296.07742	3.6
299.10196	1.8
343.09235	5.1
356.09863	60.2
357.10107	6.4
419.19055	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	417.2645
Annotation	Juruenolide F
Peak:m/z	Relative Intensity
55.86918	0.3
59.01382	1.2
60.81559	0.3
73.75560	0.3
73.98276	0.3
93.03461	0.5
94.49995	0.3
98.19846	0.4
117.03464	33.9
118.03715	0.6
119.05025	38.1
120.05370	1.5
121.02957	11.8
123.04527	4.1
133.02930	2.4
134.03723	1.2
145.02950	66.2
146.03302	2.7
147.04527	0.3
149.02448	0.5
162.03218	3.6
163.04007	16.5
164.04332	0.6
172.61559	0.4
231.10283	0.4
345.95731	0.3
348.16409	0.3
417.26431	100.0
418.26770	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	417.301
Annotation	Maesaquinone
Peak:m/z	Relative Intensity
59.01385	3.4
71.01376	1.6
71.52175	0.8
77.00655	2.2
79.00251	3.0
79.19685	0.6
80.17955	0.7
84.02162	2.7
85.75327	0.6
119.83466	0.6
152.99608	0.7
231.10083	0.8
337.21750	2.8
338.22049	1.1
339.22324	2.6
343.26584	3.3
345.28015	2.9
353.28726	0.8
369.28131	1.3
371.29538	30.3
372.29880	4.5
377.26550	0.7
397.27097	1.1
399.29062	10.9
400.29160	1.0
417.30084	100.0
418.30447	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	417.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.5
59.01379	100.0
60.01721	1.4
61.98662	0.3
69.32504	2.9
71.01386	2.7
73.02940	0.9
83.01423	0.4
85.02972	1.4
87.00848	0.4
98.20722	0.6
101.02440	2.0
113.02465	1.4
143.03551	0.4
146.03822	0.4
156.27449	0.3
158.03789	0.8
159.04541	1.0
159.08185	1.1
160.05362	0.4
161.04529	0.7
161.06079	0.5
173.06093	0.8
174.06895	1.0
175.07680	0.6
175.23627	0.3
187.07634	4.4
188.08304	0.5
189.09161	2.1
199.07683	0.3
201.05667	0.4
202.06316	2.0
203.07039	0.8
203.10844	1.0
213.09241	0.7
214.09984	0.6
216.07970	0.6
217.08707	0.6
231.06673	1.2
231.10252	8.1
231.12453	0.5
232.10866	1.3
242.67438	0.4
276.10126	0.8
329.14017	1.0
329.17856	0.5
373.16440	2.8
374.16855	0.4
375.24033	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01712	1.0
70.07401	0.5
70.64597	0.7
70.64930	1.1
82.98449	0.5
92.49059	0.5
102.68242	0.4
158.03864	0.7
173.06096	0.5
187.03929	0.5
187.07661	1.9
189.09137	1.3
202.06429	0.8
203.07182	0.6
203.10855	0.7
231.10220	4.8
245.73116	0.5
373.16800	1.1
403.35184	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.3
58.00599	1.1
59.01378	100.0
60.01719	2.1
61.98832	0.8
63.65413	0.6
67.81065	0.6
70.00801	2.1
71.01382	22.6
72.99326	1.2
73.02950	3.7
75.00891	1.1
76.98064	0.6
83.01384	1.7
85.02956	7.3
86.88804	0.6
87.00883	1.5
89.02444	18.9
95.01381	1.5
99.00889	1.2
101.02446	14.0
113.02450	10.2
119.03498	8.8
121.02989	0.9
122.03741	1.1
125.02484	1.1
125.06081	0.9
131.03510	1.4
133.03065	0.7
143.03511	2.8
147.04553	1.0
149.02455	2.3
149.04503	0.8
150.03226	7.9
159.03052	1.4
161.04552	15.3
164.95509	0.7
165.05565	8.3
167.03407	0.7
174.48357	0.6
177.02014	0.8
177.09204	4.4
179.05600	5.4
195.06601	3.5
195.10394	1.1
201.07855	0.7
206.31825	0.7
213.79283	0.6
217.01453	1.7
239.07428	0.7
243.89426	0.7
255.12332	0.8
307.01166	1.0
314.65515	0.8
327.12195	0.9
329.10538	0.8
357.15536	19.9
358.15866	1.4
369.13327	5.0
417.17447	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	97.5
61.98812	3.4
69.72543	1.5
70.83908	3.1
71.01377	13.8
73.02941	2.5
85.02944	2.6
89.02459	6.4
89.05582	1.9
95.58317	1.7
101.02457	5.3
108.01461	1.5
108.02171	8.4
109.02951	7.3
113.02463	2.8
114.06206	1.6
119.03536	2.1
121.02950	7.7
122.03680	3.6
123.00889	2.2
123.04556	3.8
126.57947	1.7
128.03755	1.5
128.21207	1.8
128.75694	1.6
133.01408	2.2
134.03741	5.6
134.13901	1.6
135.04549	4.0
136.01663	100.0
137.02248	2.9
145.02939	3.8
146.03708	2.5
147.04482	3.6
149.02422	7.5
149.06084	4.2
150.03265	10.1
151.04010	82.9
152.04359	4.0
158.03740	3.3
159.04494	13.0
160.05173	2.0
161.02417	2.7
161.06041	2.9
162.03230	3.2
163.04007	2.6
163.07640	2.5
164.04768	5.2
165.05571	25.4
171.04524	4.7
172.05267	2.9
173.06090	3.2
174.03189	5.9
175.03993	14.9
175.07515	1.8
176.04779	24.4
177.01897	1.9
177.05453	2.5
181.08739	3.1
187.04027	3.7
188.04729	2.7
189.05565	9.0
190.06348	4.7
191.07140	23.0
193.05096	2.4
205.08749	2.3
207.08189	3.1
221.08170	6.0
223.07555	2.7
233.06093	3.1
233.14299	2.0
235.07657	7.1
245.06213	1.9
251.07074	6.7
255.08888	4.6
261.05511	4.6
262.06265	3.3
263.07114	23.9
264.07642	5.0
266.05847	3.2
267.06812	3.6
277.08643	2.5
278.09445	18.4
279.06647	29.7
279.09814	2.0
280.06992	2.3
281.08130	4.5
282.08929	3.9
293.08350	3.9
294.08942	21.1
295.09534	3.4
297.11246	9.0
309.11270	42.8
310.11734	6.1
312.10013	5.3
324.09772	2.7
327.12347	80.1
328.12714	7.4
339.12372	13.7
340.12936	1.8
345.13571	2.3
357.13434	13.1
369.13376	2.9
384.12149	3.9
387.14651	2.2
399.14725	8.4
417.15704	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	417.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.7
59.01377	100.0
61.98827	4.7
69.03449	8.8
69.98409	9.2
71.01011	3.5
71.01382	51.3
73.02950	16.6
75.00884	2.8
83.01381	4.0
83.05031	3.6
85.02953	15.0
87.00874	3.4
89.02441	26.9
95.01372	5.6
96.96001	6.4
97.02953	4.2
97.06587	5.4
98.19894	2.9
101.02452	33.3
113.02454	20.7
115.00366	3.2
119.03510	13.9
125.02453	2.4
133.01430	3.9
135.04501	2.4
148.05338	2.8
149.04364	2.3
151.11275	5.0
159.04471	2.8
161.04529	11.9
165.05476	5.0
169.12338	5.7
174.06760	2.6
175.07675	2.8
179.22621	3.1
187.07623	10.4
190.06343	2.4
192.31857	2.5
195.08011	3.0
199.07542	5.8
202.06325	3.8
203.10707	15.5
213.09317	4.0
213.11295	18.5
215.07297	2.5
227.10742	6.9
229.08673	6.4
229.12325	5.0
231.10266	12.6
237.14938	2.9
239.10718	2.3
241.08646	3.6
241.12204	2.2
244.10953	6.4
247.09724	4.4
247.13351	2.6
255.10242	8.3
255.16048	3.4
257.11832	5.3
271.13434	2.6
272.10532	2.8
273.15118	3.0
282.12408	2.5
283.01172	5.5
285.11511	2.7
285.14777	4.9
285.76334	2.3
294.14938	6.7
300.13635	6.2
311.16400	2.9
323.76727	2.4
329.14072	4.1
329.17517	14.9
344.12805	4.2
356.14944	4.7
373.16534	68.1
374.16663	9.2
379.08728	2.5
417.20731	41.2
417.25876	4.9
418.21466	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58995	0.6
59.01381	22.7
66.91223	0.6
67.00475	0.6
69.38422	5.3
69.38753	1.1
71.01369	1.0
71.24200	0.6
72.81479	0.6
76.72776	0.6
81.47439	0.7
93.03464	1.1
103.10823	0.6
108.02181	4.5
121.02932	2.1
122.03725	2.7
123.04530	3.4
131.51883	0.7
133.02934	0.9
134.03760	4.6
135.04541	2.0
136.01657	16.9
139.04849	0.7
146.03767	1.0
147.04492	1.9
148.05276	1.3
149.02438	18.1
149.05084	0.7
149.06067	4.2
150.03223	68.7
151.04030	14.2
159.04547	0.9
160.05252	1.2
161.02368	0.9
161.06073	1.0
162.03244	3.1
163.04027	2.8
164.04794	20.6
164.06186	1.0
165.05565	100.0
166.05905	4.1
168.85764	0.7
174.03188	1.7
175.03978	4.5
175.07584	0.6
176.04781	17.1
177.05533	2.8
187.03963	0.8
188.04807	1.6
189.05542	1.5
191.07120	14.0
191.08669	1.1
192.07553	0.9
192.45650	0.6
202.06387	0.8
203.07095	0.8
221.08156	3.4
255.12453	0.8
263.07181	2.3
278.09451	1.3
279.06641	3.7
279.09378	0.8
291.53372	0.6
294.09088	1.7
297.07712	0.7
309.08130	0.9
309.11392	2.5
312.10126	2.4
327.12335	28.7
328.12671	2.6
330.05124	0.6
339.12402	2.8
340.12695	0.8
342.10907	0.9
357.13266	5.4
358.13678	0.8
387.14526	1.8
388.61459	0.7
417.15787	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62956	1.8
59.01372	5.2
69.25690	4.0
69.26088	16.0
69.41291	1.7
76.60277	2.1
130.04239	4.7
131.04974	2.9
144.05780	2.4
146.03749	2.6
158.03708	15.1
159.04489	16.7
159.08133	10.7
161.06084	4.2
172.05272	4.7
173.06075	11.4
174.03221	4.9
174.06837	8.6
175.06036	2.4
175.07591	6.6
185.05981	4.2
185.09732	2.2
187.04059	3.8
187.05937	3.5
187.07631	62.8
187.09241	4.1
188.08185	8.4
189.09181	33.8
199.07584	4.5
201.05649	3.4
202.01031	2.4
202.02710	9.2
202.06358	21.5
203.03481	14.7
203.07094	15.6
203.10735	9.9
213.09180	5.1
214.09950	10.2
216.07869	4.1
217.08649	7.2
230.50999	2.1
231.06761	24.6
231.10245	100.0
232.07254	6.9
232.10741	10.8
275.09216	7.1
276.10007	9.3
289.99188	2.3
326.84830	2.2
329.13980	24.1
373.16479	15.2
435.40558	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	1.1
58.70954	0.8
59.01374	6.2
61.98822	2.7
63.08870	1.0
65.00331	1.2
70.69766	1.7
70.70122	1.3
71.01376	1.5
71.05006	1.7
71.06776	1.0
72.99278	1.0
75.00871	8.0
78.95889	2.3
79.01890	1.7
81.03450	4.3
83.01392	1.1
89.02434	1.5
93.03436	2.4
95.05013	1.8
96.96041	1.4
96.96946	1.5
97.02966	6.5
98.20497	1.2
99.04530	3.1
107.01392	1.5
109.02953	1.2
110.93472	1.0
121.02966	7.3
122.03737	8.1
123.04571	1.2
125.02433	4.2
133.01398	1.3
135.04475	1.9
137.02457	1.3
138.03227	1.4
139.04021	10.2
149.02435	6.1
150.03223	55.3
150.90779	0.9
151.00336	1.1
151.03651	2.1
160.01060	1.0
163.00343	2.5
164.01152	1.6
165.01921	10.8
165.05569	100.0
166.05905	7.9
167.03505	12.0
175.00389	1.2
182.02225	3.0
183.02940	2.6
183.60155	0.9
189.01875	2.1
190.99834	2.6
191.05562	1.7
193.01418	16.1
205.37636	1.0
207.03084	1.2
211.02443	2.6
211.07600	1.0
213.07739	1.0
217.01474	2.6
237.00385	2.9
238.03799	1.0
243.02028	1.2
256.04160	1.2
267.06720	2.3
285.07620	2.2
300.97940	1.0
322.15103	1.1
329.06299	1.2
341.10806	2.0
373.07797	11.6
374.08099	1.3
399.05972	1.3
417.06769	34.8
418.07388	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	417.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
58.22287	1.3
59.01370	5.1
61.98820	6.2
65.00325	6.8
71.01376	3.1
71.05009	6.4
71.51507	1.7
75.00874	12.7
78.95900	1.9
79.01913	7.4
81.03457	13.9
82.01891	1.2
83.00934	1.5
83.01358	7.2
85.02989	2.2
89.02447	2.1
93.03447	2.3
95.05031	9.7
97.02959	21.0
99.04517	12.0
101.02402	2.5
105.03458	3.2
107.01392	5.5
109.02930	1.6
119.05005	1.8
121.02963	14.9
123.04527	5.6
125.02444	14.7
130.08752	3.8
137.02461	4.2
138.03154	2.2
139.04016	36.3
145.02982	1.6
146.99821	1.7
147.56926	1.2
149.02441	6.4
150.05511	1.7
151.00360	1.6
151.03975	3.2
163.00354	7.9
163.04050	2.2
164.01155	4.3
165.01918	40.8
166.02245	2.3
167.02156	2.8
167.03497	38.7
168.03856	2.6
175.00348	2.3
176.03423	1.8
182.02182	11.4
183.02998	9.5
187.06136	1.4
189.01910	3.5
190.99854	5.7
191.05614	5.7
193.01422	59.8
194.01729	3.9
203.99748	1.5
209.01028	3.7
211.02451	9.5
217.01390	12.3
218.99330	4.8
220.02489	2.7
235.02437	2.4
237.00465	7.3
238.03598	4.5
243.01805	2.3
248.05502	1.6
255.01569	1.7
285.02954	1.6
300.97964	2.0
341.10678	3.9
345.08109	5.1
355.06903	1.8
373.07755	40.2
374.08087	3.9
399.05853	1.8
417.06744	100.0
418.07047	6.4
418.10052	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	21.0
61.58377	4.0
61.98826	9.2
65.58907	4.9
68.50878	3.9
71.01379	9.4
75.00869	9.1
78.95935	4.8
81.03471	4.5
96.95984	15.6
96.96953	8.1
109.02946	11.8
115.00397	6.8
121.02933	9.4
123.04556	7.4
123.51908	4.1
125.02470	9.0
133.01451	7.9
135.03001	6.0
135.04507	16.5
139.04062	4.3
147.04497	7.7
147.25137	4.1
149.02432	8.4
151.00331	10.0
158.03688	4.7
159.04486	9.3
165.01912	8.2
166.02664	4.5
167.03493	9.4
175.03978	5.5
179.03349	5.0
191.03572	5.8
193.01373	9.9
193.05095	5.0
197.06021	4.2
198.06813	6.1
211.04056	6.6
211.07664	10.1
213.09296	8.3
217.01393	9.2
222.07010	4.6
223.07683	7.5
224.04759	8.7
225.05482	5.3
227.03450	4.8
228.04314	8.8
238.06352	6.7
239.07054	21.8
240.04201	5.4
241.08833	6.8
243.06786	6.4
249.05531	8.9
250.06366	6.9
252.04323	5.9
253.05101	7.4
255.06586	8.7
256.03784	54.9
257.08188	14.3
267.06622	77.8
268.07101	7.9
285.07700	100.0
286.08063	10.3
329.06683	73.6
330.07050	8.4
373.07571	9.2
417.06952	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	415.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01345	0.5
63.77755	0.4
90.69424	0.4
93.03475	0.9
117.03467	41.9
118.03686	0.7
118.04367	0.9
119.05028	45.0
120.05397	1.2
121.02959	12.3
123.04530	3.9
133.02907	2.4
134.03714	1.4
145.02953	85.3
146.03276	3.6
162.03204	3.2
163.04010	16.5
164.04330	0.9
175.29388	0.4
202.97926	0.4
298.77585	0.5
307.47696	0.4
369.87552	0.5
415.24863	100.0
416.25192	13.8
416.30737	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83179	0.7
52.73307	0.7
57.15926	0.7
68.81167	0.9
69.23629	3.0
69.24057	3.2
71.01387	13.2
71.04994	1.9
78.73043	0.7
80.02664	1.7
83.05027	1.1
98.19837	1.4
120.28250	0.6
123.08115	1.8
137.09666	0.6
168.67105	0.8
313.25229	0.7
315.26880	2.1
327.26935	1.4
341.28433	7.4
343.30035	51.1
344.30331	7.6
357.28012	3.2
371.33115	2.6
375.29028	18.4
376.29330	2.3
387.80786	0.8
415.32095	100.0
416.32425	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	415.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13047	0.4
53.01826	0.3
56.71907	0.4
70.98250	0.9
93.03471	0.8
101.26194	0.4
105.03466	0.6
117.03471	41.9
118.03636	0.5
118.04276	1.5
119.05029	41.8
120.05363	1.4
121.02960	13.9
123.04517	3.3
133.02939	2.5
134.03731	1.5
145.02954	75.8
146.03270	3.5
162.03238	3.5
163.04008	14.6
164.04367	0.5
249.92323	0.4
309.30942	0.4
371.25763	0.6
389.12302	0.4
415.24875	100.0
416.25217	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	415.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01715	1.1
61.86509	0.2
69.60239	0.5
69.60645	0.9
70.75115	0.2
71.01005	0.5
71.01382	5.0
72.99317	0.3
73.02946	1.6
83.01384	0.4
85.02946	1.7
89.02441	1.7
95.01410	0.5
99.00893	0.5
101.02439	2.7
113.02431	2.0
119.03532	0.7
133.03006	0.3
135.04550	0.3
137.02473	0.5
159.04555	1.0
161.04617	0.9
161.06133	1.0
177.02002	0.3
211.13426	0.9
216.83263	0.2
222.54863	0.2
309.14975	0.2
329.19888	0.4
355.17719	0.9
373.18414	1.7
373.22702	0.3
415.19406	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	415.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.7
57.03451	0.6
59.01379	100.0
60.01730	0.9
71.01380	10.6
72.99312	0.6
73.02941	2.2
83.01407	1.1
85.02939	3.2
87.00869	0.5
88.83633	0.4
89.02446	6.1
95.01398	0.6
99.00903	0.6
101.02447	5.4
104.67591	0.4
111.98837	0.3
113.02458	4.1
119.03510	2.2
125.02564	0.3
143.03500	0.5
161.04568	3.4
209.15529	1.7
211.07626	0.6
211.17039	0.6
229.08823	1.0
253.14433	3.4
253.18153	0.4
273.07339	0.4
274.08243	0.5
309.04260	0.4
327.12219	1.0
328.20282	0.7
353.14117	0.5
355.21411	0.9
373.22226	5.9
373.26401	0.4
374.22772	0.6
415.23267	5.1
416.23651	0.7
435.30948	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30350	0.9
59.01381	100.0
60.01709	1.0
65.81345	1.1
67.54523	0.9
69.28618	8.2
69.29021	2.2
71.01379	16.4
72.58883	1.0
72.98166	1.0
73.02949	13.7
83.01392	4.0
85.02925	4.5
85.87367	0.9
89.02451	7.4
95.01364	2.2
97.02933	1.4
100.08649	0.8
101.02449	15.4
101.17784	1.0
113.02444	8.2
119.03455	2.2
131.03484	1.3
143.03467	1.4
154.97249	0.9
159.32118	0.9
161.04572	1.3
167.10709	1.2
169.73358	1.0
410.46140	1.0
415.19284	1.3
415.23849	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30350	0.9
59.01381	100.0
60.01709	1.0
65.81345	1.1
67.54523	0.9
69.28618	8.2
69.29021	2.2
71.01379	16.4
72.58883	1.0
72.98166	1.0
73.02949	13.7
83.01392	4.0
85.02925	4.5
85.87367	0.9
89.02451	7.4
95.01364	2.2
97.02933	1.4
100.08649	0.8
101.02449	15.4
101.17784	1.0
113.02444	8.2
119.03455	2.2
131.03484	1.3
143.03467	1.4
154.97249	0.9
159.32118	0.9
161.04572	1.3
167.10709	1.2
169.73358	1.0
410.46140	1.0
415.19284	1.3
415.23849	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89811	0.5
59.01375	1.1
59.89644	0.4
67.82827	0.4
71.08395	1.2
73.83025	0.4
74.99098	6.5
77.00667	76.0
78.00990	0.6
81.83203	0.5
99.04620	0.5
117.03437	0.5
121.02961	0.6
145.02966	1.2
147.08214	2.2
149.02417	0.5
149.09705	1.5
161.09744	1.0
163.11299	2.5
187.11278	3.1
236.80550	0.4
241.89055	0.5
265.12344	0.8
279.13956	0.7
280.14621	0.9
309.22260	2.7
322.19168	0.7
325.25327	1.6
337.21722	100.0
338.22064	13.4
339.23303	1.5
353.28568	0.8
355.26437	0.8
415.23239	12.6
415.28622	11.6
416.23468	2.4
416.28903	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	4.2
58.00592	1.6
59.01379	100.0
60.01717	1.6
62.18850	1.1
69.03458	1.7
69.21635	6.8
69.22066	5.5
71.01012	2.6
71.01382	39.0
72.01706	1.3
73.02944	14.1
81.56521	1.2
83.01363	7.7
85.02950	18.3
87.00874	1.8
89.02458	6.8
94.78739	1.2
95.01377	3.6
99.00871	5.4
101.02441	23.2
113.02452	17.3
117.17895	1.1
119.03495	2.4
125.02419	1.8
135.04539	1.5
143.03436	2.9
153.71617	1.2
159.03033	3.9
161.04573	12.6
211.13370	15.6
215.85516	1.3
274.65442	1.3
329.19781	6.9
342.45795	1.3
355.17572	8.1
371.07675	3.0
373.18518	9.0
415.14944	2.1
415.19659	55.2
416.20010	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	415.1973
Annotation	6-Acetoxy-7-hydroxymyrcene-7-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
55.01871	3.6
57.03446	5.3
58.00601	1.6
59.01380	72.9
69.03453	3.4
70.98013	3.0
71.01382	43.1
71.05022	2.3
72.99311	2.8
73.02962	12.8
83.01385	5.4
84.02164	2.1
85.02950	24.8
87.00883	7.6
89.02452	10.2
95.01379	4.7
98.19974	2.0
99.00898	4.1
101.02441	16.9
112.01611	2.0
113.02447	14.6
119.03537	3.0
136.48357	1.4
139.11328	2.6
141.09210	2.1
161.04456	2.1
167.14410	2.1
193.12312	3.6
195.13904	6.1
211.13399	11.6
355.17599	69.0
356.18024	5.2
373.18665	59.8
374.19016	5.0
415.19730	100.0
416.19983	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	415.1609
Annotation	2-Phenylethyl O-alpha-arabinopyranosyl-(1->6)-beta-glucopyranoside
Peak:m/z	Relative Intensity
50.20638	0.4
51.93153	0.4
52.47086	0.4
55.01877	1.1
56.53126	0.4
57.03442	0.6
58.00603	3.4
58.03740	0.4
59.01379	70.4
60.01704	1.0
69.03437	0.5
69.38244	3.1
69.38657	0.9
71.01382	51.6
71.65795	0.4
72.01682	0.7
72.22437	0.4
72.64294	0.4
72.99312	2.4
73.02943	17.4
83.01389	1.4
85.02943	5.5
87.00850	1.5
89.02443	100.0
90.02785	1.8
95.01389	1.6
97.02943	1.3
99.00880	29.7
100.01250	0.8
101.02442	31.4
102.02761	1.0
108.72154	0.4
113.02441	10.9
113.33195	0.5
115.00357	0.4
115.04008	0.7
119.02678	0.5
119.03509	7.6
125.02448	4.3
131.03508	15.7
132.03787	0.5
143.03432	1.2
148.77988	0.4
149.04552	57.6
150.04875	1.6
161.04543	2.6
168.02563	0.5
179.05615	3.1
191.05605	12.3
221.06708	2.2
251.07701	3.9
293.08344	0.5
415.16061	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	415.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03351	3.8
59.01376	26.3
69.81815	3.6
71.01376	6.3
73.02968	6.1
76.60747	3.4
85.02940	4.6
89.02439	5.0
98.19878	10.9
109.02989	3.7
135.04512	5.6
137.02388	4.2
150.11079	4.5
192.07985	3.9
211.13354	18.5
239.07127	6.6
253.08678	5.7
267.06509	27.2
280.07349	19.3
281.08157	21.1
282.08606	6.1
295.09732	23.0
296.10248	8.0
323.09097	5.1
340.09592	40.5
355.07498	6.2
355.11841	100.0
355.18372	4.9
356.12195	12.3
373.18713	9.2
415.19287	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	415.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.0
57.03426	5.5
59.01377	80.9
68.57745	3.7
71.01373	59.5
71.50220	5.0
72.99307	100.0
78.05501	3.5
78.95900	4.1
85.02954	15.3
87.00875	11.7
89.02441	75.0
91.00744	3.9
92.21716	3.9
93.03440	5.7
96.95997	4.8
97.02954	4.4
101.02444	38.9
109.02946	6.3
111.00917	4.2
113.02452	25.1
115.00379	7.6
119.03495	24.0
123.04517	4.1
133.01431	16.6
135.04536	8.9
141.87628	3.6
143.03514	4.7
161.04523	8.9
170.96053	6.4
175.02464	4.0
179.05617	37.2
191.05598	62.6
196.97569	5.4
237.05621	5.1
240.97461	7.2
253.04715	4.2
258.97635	10.2
309.04019	12.1
323.10513	4.7
327.05042	20.3
338.65518	4.2
341.10883	80.0
342.11246	5.1
371.03973	11.1
415.02579	4.5
415.14630	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	415.1391
Annotation	Schisantherin P
Peak:m/z	Relative Intensity
57.86500	0.4
59.01358	0.6
70.12511	1.7
71.01392	2.4
73.02940	0.6
75.06999	0.5
79.95737	7.1
80.96525	5.6
83.01399	0.9
85.02946	1.5
87.00847	1.0
89.02437	0.5
96.96011	83.1
97.58306	0.4
99.00893	0.6
101.02448	4.2
106.92773	0.5
113.02463	1.3
133.01402	1.2
137.96301	0.9
138.97079	5.8
150.97089	1.5
166.96548	1.1
180.98206	0.9
193.04845	0.5
241.00238	22.2
242.00497	0.8
313.05823	2.9
330.08643	39.9
331.08881	2.3
356.06531	9.1
415.13907	100.0
416.14203	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90742	0.7
58.87421	0.6
59.01378	4.5
62.92175	0.8
71.01363	2.5
85.02946	0.8
89.02454	0.9
96.96050	0.7
98.19887	2.0
109.02922	1.0
115.00354	0.9
119.05067	0.8
133.01497	0.8
135.04524	4.3
137.02429	1.4
148.01752	0.7
167.03545	2.0
170.82751	0.7
176.01129	1.0
201.02007	0.8
212.04863	0.7
214.38103	0.7
215.07106	2.6
215.09018	0.7
216.07765	0.7
227.03485	2.6
229.01382	0.8
229.11285	0.7
233.88876	0.6
237.05640	1.2
239.07152	2.4
241.04959	1.2
255.02983	2.4
255.06607	2.6
267.03125	1.3
267.06580	1.6
268.03714	1.5
269.04419	1.0
271.06155	1.0
275.09363	0.8
277.04736	0.7
281.04584	0.8
283.02484	3.0
283.05981	1.9
284.03635	1.4
284.06863	4.2
287.01840	0.9
293.04599	4.8
294.05298	1.7
295.06049	6.5
296.03268	1.8
296.06369	1.0
299.02216	0.9
299.05493	1.0
305.36557	0.7
309.04266	3.5
309.07220	0.9
310.04416	1.6
311.05594	69.9
312.06091	11.1
321.04132	1.7
323.01932	2.7
327.04993	1.0
337.03598	1.0
344.05353	4.9
345.05496	0.9
353.06662	20.5
353.11032	1.0
354.06995	1.6
371.07700	100.0
372.08047	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.0308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	8.8
71.01402	12.2
72.91616	2.6
72.99296	11.1
81.03442	3.3
87.00875	3.2
89.02444	6.8
89.03967	3.3
98.20669	4.8
101.02420	3.8
109.02937	11.1
115.00376	9.7
119.27137	2.6
123.04522	11.5
133.01427	21.5
133.02959	4.0
134.03780	3.5
135.04460	6.8
137.02480	2.6
145.02953	2.9
149.02417	3.5
151.03996	8.6
163.03992	5.3
165.07048	3.0
177.01930	9.8
179.03456	9.4
189.01872	7.2
191.05670	12.5
193.06580	8.0
194.05357	3.0
197.06203	2.5
201.01852	5.6
209.06042	7.5
211.07736	3.3
217.01373	17.6
225.05565	5.8
228.95729	3.0
237.05617	25.7
241.05029	2.8
253.05142	12.0
255.06567	9.9
265.05197	4.7
281.04523	23.8
283.05869	4.0
297.03888	4.7
299.05548	14.8
301.34067	2.8
307.73898	2.8
308.03275	4.6
309.04001	80.9
310.04330	9.0
327.05084	100.0
328.05435	10.0
329.67682	2.6
340.35382	2.8
341.10977	3.8
353.02985	5.6
371.04068	46.6
372.04276	4.0
376.22437	2.6
415.02887	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	415.0306
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65573	2.0
65.03946	2.5
67.01947	2.4
70.63194	4.6
70.63594	4.9
71.01385	2.9
74.70621	2.0
78.86089	2.0
96.95987	5.3
109.02953	8.9
123.04485	9.0
133.01418	8.6
133.02962	3.9
135.04524	2.8
137.58331	2.2
148.01561	2.1
151.04041	12.0
161.02435	3.4
163.04120	2.2
173.02348	2.9
177.01903	12.9
179.03481	4.2
189.01953	11.2
193.06554	9.7
201.01880	5.2
209.06082	10.5
217.01424	18.9
221.06004	2.6
225.05530	3.8
237.05597	22.0
239.03470	3.2
240.04340	3.3
241.05005	4.8
253.04990	7.2
255.06732	10.9
255.09079	2.5
265.05054	7.2
281.04587	16.7
282.01608	2.7
282.04727	3.4
283.02484	2.8
283.06064	4.6
295.02414	3.1
297.03903	5.2
299.05627	15.0
308.03241	6.0
309.04019	88.0
310.04294	9.2
327.05081	100.0
327.08990	5.3
328.05551	13.8
371.04016	45.0
372.04596	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	413.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
70.58384	3.6
70.58752	3.2
87.30695	1.6
101.60857	1.6
107.98488	1.7
120.38728	1.7
120.83454	1.7
154.61687	1.6
156.55260	1.4
171.39958	2.0
189.76622	1.6
244.77728	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31812	2.5
52.58884	2.3
59.01381	100.0
69.43573	18.8
70.94547	2.6
71.31467	3.0
110.36895	2.5
116.33319	2.7
181.58562	2.9
237.54474	3.1
339.19928	3.4
343.55200	2.7
369.31601	5.1
400.87485	3.0
413.29611	14.7
413.34360	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	413.306
Annotation	14alpha-Hydroxy-5beta-cholest-7-ene-3,6-dione
Peak:m/z	Relative Intensity
51.13517	0.7
60.24582	0.8
69.20125	4.6
69.20540	2.6
71.45637	0.7
81.55804	0.8
91.18060	0.8
98.43349	0.8
120.07639	0.8
353.31662	0.8
357.27985	68.4
358.28281	10.4
413.30594	100.0
414.30908	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	413.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89281	44.9
59.01374	100.0
78.95948	41.0
80.47501	46.7
93.17062	48.7
148.67682	44.5
208.11569	47.5
227.70238	48.3
250.13004	52.9
255.23196	47.1
413.34622	74.2
414.49704	51.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	0.6
57.03441	4.5
59.01379	17.0
61.31064	0.5
69.43893	3.7
69.44301	1.0
71.01369	2.5
71.05016	12.3
73.02946	3.3
81.70131	0.6
83.05031	1.4
85.02980	1.0
85.06579	1.5
87.01937	0.5
87.04520	4.8
87.56731	0.6
88.94580	0.5
89.02468	0.8
93.03470	2.6
97.06599	1.1
98.20686	1.1
99.00876	0.8
99.03897	1.0
99.04518	11.2
105.03465	0.9
111.04512	15.7
111.08197	1.0
113.02438	1.2
113.86968	0.6
121.10228	2.7
123.08157	1.3
128.31317	0.5
133.02951	2.4
134.03700	1.7
135.04530	0.5
137.02457	1.5
137.09706	1.0
139.11302	1.1
141.12865	1.1
149.09692	1.0
153.12823	2.2
159.04564	0.7
161.02405	1.4
161.89410	0.6
177.01949	1.3
181.15987	3.6
183.17525	0.9
193.15849	0.9
205.15948	4.6
209.21097	0.6
211.17018	13.5
211.18930	0.9
212.17325	0.8
213.18599	1.8
223.17084	1.4
241.18076	2.2
249.22151	1.4
273.22379	1.1
275.09311	0.9
277.21771	1.0
279.23273	2.3
309.24265	2.1
316.05817	1.4
323.22607	1.2
328.46564	0.6
335.22247	1.2
341.23163	0.8
353.23303	100.0
354.23639	12.2
371.24304	8.2
372.24844	1.3
401.00354	0.6
413.25449	8.8
414.25812	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66791	5.6
59.01385	57.4
68.99570	6.2
82.39719	4.9
85.66846	5.7
111.72385	5.4
112.98579	8.2
145.53192	4.7
163.29938	4.9
251.14479	6.1
277.21841	6.5
319.20477	9.3
374.23074	6.7
413.30371	100.0
414.30991	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	413.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.7
57.03450	0.6
59.01378	100.0
60.01713	1.1
61.98848	0.8
68.17192	0.7
69.03497	0.5
69.49374	2.6
69.49788	1.5
71.01378	7.3
72.99333	0.6
73.02950	7.1
78.95954	0.7
81.09503	0.6
83.01385	2.9
85.02956	1.7
89.02453	1.7
101.02441	6.1
113.02454	1.8
115.00359	2.3
119.05023	1.0
131.03572	0.9
133.01436	4.1
133.02924	0.6
135.04485	0.7
137.02461	1.4
143.03523	0.8
147.11852	1.2
161.04594	2.0
165.12848	1.3
169.43568	0.5
177.02002	1.1
191.10815	2.3
209.11832	5.3
224.98695	0.5
265.08826	1.3
309.07663	3.4
413.17880	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01714	1.3
61.98834	1.3
67.49246	0.3
69.42531	2.4
71.01394	3.3
73.02950	1.3
83.01398	0.4
85.02946	0.8
89.02443	1.5
92.53434	0.3
99.91524	0.3
101.02410	2.1
113.02464	1.6
115.00362	0.6
119.03531	0.7
133.01439	0.5
135.04555	0.7
137.02458	0.8
143.03548	0.3
147.11816	0.4
161.04623	0.5
162.16867	0.3
164.03563	0.7
173.68477	0.3
177.01967	0.6
179.03474	0.5
191.88441	0.3
257.08200	0.4
271.11740	0.4
275.09354	0.4
277.10181	0.3
295.11234	0.4
297.07611	0.5
315.10907	0.7
351.12772	0.3
371.21042	0.5
413.17654	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.7
57.03431	0.5
58.49219	0.3
59.01380	100.0
60.01723	1.5
69.49710	2.3
71.01379	5.0
71.01737	0.5
72.02809	0.4
73.02953	1.7
83.01405	0.4
83.90208	0.4
85.02946	2.5
87.00877	0.4
89.02472	1.2
95.01397	0.5
98.19904	0.6
99.00893	0.3
101.02444	3.2
107.93591	0.3
110.88176	0.3
113.02397	1.7
133.01486	0.4
137.02507	0.4
150.70908	0.3
159.03091	0.4
161.04614	1.5
162.93608	0.3
179.95615	0.4
208.49358	0.4
209.15536	1.0
235.92413	0.4
307.06219	0.6
353.19858	1.1
371.20779	3.1
372.21225	0.5
381.09521	0.9
383.26355	0.4
413.12198	0.8
413.21884	0.4
430.47296	0.4
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
52.54298	0.4
59.01380	100.0
60.01718	1.3
65.81145	0.4
68.59061	0.4
71.01378	3.8
71.12069	0.6
71.12393	0.7
73.02948	5.5
83.01386	1.4
85.02984	1.5
89.02467	0.8
92.20957	0.4
96.96021	0.8
101.02444	4.1
113.02457	2.8
123.43381	0.5
147.11819	1.3
161.04561	0.5
191.10854	1.7
199.69142	0.5
200.13823	0.5
209.11891	0.6
236.09920	0.5
243.59129	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51560	0.4
59.01379	100.0
60.01730	0.7
70.58463	0.4
71.01392	2.4
71.28910	0.8
71.30196	0.4
73.02954	1.5
75.45955	0.4
75.78080	0.4
85.02959	0.5
86.41132	0.3
86.68613	0.4
89.02458	1.7
94.11711	0.4
94.17933	0.4
96.67183	0.3
101.02461	1.8
102.57606	0.3
113.02459	0.9
118.24657	0.4
119.03508	0.8
134.07416	0.4
173.94299	0.4
332.97311	0.5
351.12448	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.218
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54298	0.4
59.01380	100.0
60.01718	1.3
65.81145	0.4
68.59061	0.4
71.01378	3.8
71.12069	0.6
71.12393	0.7
73.02948	5.5
83.01386	1.4
85.02984	1.5
89.02467	0.8
92.20957	0.4
96.96021	0.8
101.02444	4.1
113.02457	2.8
123.43381	0.5
147.11819	1.3
161.04561	0.5
191.10854	1.7
199.69142	0.5
200.13823	0.5
209.11891	0.6
236.09920	0.5
243.59129	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46435	0.6
54.74047	0.8
55.01875	1.5
58.00589	1.3
59.01380	100.0
60.01717	1.0
62.91807	0.7
69.03466	2.1
71.01382	33.9
71.29533	1.2
71.85310	0.6
72.27086	0.6
72.99320	1.3
73.02946	65.8
74.03295	1.1
75.16859	0.6
78.46927	0.6
81.03408	0.6
83.01389	16.7
85.02957	3.8
87.00898	0.8
89.02452	7.3
93.07127	1.5
95.01420	1.1
96.94268	0.6
97.02969	1.1
99.00905	0.9
101.02444	45.2
102.02777	1.0
113.02451	11.5
119.03523	2.8
119.08641	1.2
124.99219	0.6
125.02464	1.4
131.03503	3.4
135.04581	0.7
137.02441	1.0
143.03540	3.1
147.11789	16.3
147.12926	0.9
149.04588	3.1
155.03525	1.5
161.04547	8.9
164.03394	0.7
177.02011	0.6
191.10777	14.5
192.11223	0.8
209.11887	2.1
353.16846	0.7
409.66949	0.8
413.18182	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	413.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.4
61.98828	4.8
71.52964	0.9
87.60704	0.7
96.96027	0.8
104.55843	0.6
111.04111	0.7
120.99656	100.0
121.99996	2.0
135.04491	0.6
159.04521	1.0
187.07631	0.6
208.00397	0.6
229.05104	0.6
271.13312	1.0
316.05682	0.7
369.17163	0.9
413.20154	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86634	0.8
55.01894	0.9
58.00605	0.8
59.01381	100.0
60.01720	1.5
69.03464	1.2
69.40164	5.4
71.01381	30.8
72.99326	1.3
73.02947	62.8
83.01383	15.4
85.02950	3.4
89.02448	7.4
93.07092	1.5
93.29229	0.9
97.02957	0.8
99.00902	1.3
101.02442	45.5
103.62339	0.8
113.02451	7.9
116.29848	0.9
119.03510	1.1
122.73261	0.9
125.02438	2.0
131.03474	2.8
143.03482	2.5
147.11801	15.6
149.04559	1.6
155.03503	2.1
161.04567	8.5
191.10789	16.6
209.11769	3.0
291.72736	0.8
318.09244	0.9
353.15793	1.9
369.94086	1.0
371.17035	2.1
413.18097	23.6
413.23172	1.7
414.18414	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	413.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51485	0.4
55.61393	0.5
58.63789	0.4
59.01370	2.1
69.35914	2.0
69.36339	1.7
73.36287	0.5
93.03478	0.8
99.61413	0.5
111.00903	0.5
119.05006	2.4
123.00906	0.8
123.04455	0.6
124.01675	0.7
129.03444	1.3
132.20892	0.5
133.02975	0.7
137.02469	1.5
139.41507	0.4
145.02948	1.7
146.03716	2.5
147.04529	10.4
149.02458	1.3
151.00314	0.9
162.03218	1.0
163.04027	3.8
165.05528	1.1
173.02454	2.2
174.03221	7.0
175.04002	14.3
175.07619	0.9
176.04408	0.5
177.05562	9.5
190.02887	0.6
191.03499	30.5
192.03862	1.9
203.07150	2.8
220.07448	2.3
253.08733	2.6
268.07391	1.3
268.10986	0.7
278.09494	1.2
279.06635	19.3
280.06967	1.7
293.08185	1.9
295.09702	1.3
297.07654	1.1
322.08450	41.4
323.08847	4.6
340.09473	4.3
351.12360	100.0
352.12662	12.1
369.13419	15.8
370.13705	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.109
Annotation	Asperuloside
Peak:m/z	Relative Intensity
56.48936	0.5
59.01398	0.6
71.01411	0.9
71.02942	1.1
75.00868	13.4
78.95913	1.5
82.54687	0.5
93.03435	0.5
121.02979	1.9
132.02194	2.3
133.02942	0.8
134.03749	56.4
135.04124	1.9
137.02454	8.3
139.04037	2.2
146.03693	0.6
149.06084	20.4
150.03279	0.9
150.06485	1.3
159.04486	0.8
160.01665	19.2
161.02094	1.0
165.05566	0.7
175.04008	72.6
176.04356	4.7
178.02722	39.9
179.03110	2.0
192.04309	0.8
193.05060	100.0
194.05411	5.0
207.06621	1.0
233.04454	1.0
238.06589	0.5
251.05602	46.4
252.05972	3.8
253.08676	1.9
265.96533	0.6
355.10324	11.5
356.10519	1.1
413.05289	0.8
413.10892	16.8
414.11102	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	412.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
58.09379	0.3
59.01377	6.2
61.98829	100.0
71.01379	1.4
71.52303	0.6
73.02944	0.3
73.33521	0.4
85.02947	0.5
88.97381	0.3
89.02448	0.4
101.02435	0.4
113.02477	0.3
117.01944	0.4
119.03490	0.3
119.05058	1.3
133.02966	0.6
134.03775	0.5
135.04454	0.7
136.04863	0.4
137.02444	1.0
142.06621	0.4
145.03065	0.4
164.41220	0.4
177.01982	0.6
178.02670	1.0
179.03174	0.6
179.45531	0.4
202.06429	0.3
229.06248	1.0
248.94504	0.3
258.16083	0.3
276.09427	0.4
294.10785	0.5
326.05051	0.7
351.12424	0.6
412.08646	1.0
413.21875	0.4
430.00958	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80830	0.4
59.01384	7.4
61.75714	0.4
65.98138	0.4
66.62367	0.4
69.62275	0.8
69.62680	2.0
71.01386	2.2
73.07032	0.4
75.00885	4.9
75.52993	0.4
85.02959	0.6
93.03505	0.5
96.96009	0.8
101.02457	0.9
115.00362	1.1
121.02928	0.5
132.02135	0.7
133.01530	0.7
133.02930	0.6
134.03745	61.1
135.04022	2.6
137.02443	3.7
139.04036	1.0
146.03758	1.2
147.04507	0.7
149.06082	24.5
150.03241	0.5
150.06410	1.3
160.01648	4.6
161.04602	0.7
175.03999	23.8
176.01129	0.7
176.04408	1.2
178.02711	21.0
179.03091	1.0
179.07108	2.0
191.03572	0.7
192.04285	0.5
193.05052	100.0
194.05379	5.1
207.06549	0.6
235.06178	1.3
251.05605	17.9
252.05838	1.5
293.06726	0.6
293.76233	0.5
353.18402	0.8
355.10297	7.8
395.16873	1.2
413.10712	3.4
413.14520	0.4
414.11026	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39708	0.5
59.01379	100.0
60.01702	1.6
61.98832	1.3
69.78521	0.6
71.01372	4.5
71.52632	0.9
73.02954	1.3
83.01418	1.1
85.02967	1.4
85.06100	0.6
89.02459	0.6
92.49696	0.6
94.21517	0.7
99.00837	0.6
101.02467	3.1
113.02486	1.2
161.04617	1.6
171.08130	0.5
235.78310	0.6
369.22931	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20584	1.9
54.43843	1.6
59.01379	100.0
61.98810	2.4
62.69147	1.6
70.15813	1.8
76.76485	1.5
79.62382	1.7
112.48898	1.6
183.01202	3.4
194.76190	1.8
227.87743	1.9
245.92073	2.0
326.18701	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	411.275
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98814	8.7
71.51653	2.9
74.58637	2.4
78.95905	7.1
118.96697	2.7
123.64787	2.7
136.92950	2.7
152.99554	6.7
183.01172	4.1
184.01450	8.7
218.83267	2.8
326.18759	44.8
327.18176	4.9
360.62552	2.9
390.74878	3.3
411.16528	3.9
411.28796	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	409.2359
Annotation	1-palmitoyl-sn-glycerol 3-phosphate
Peak:m/z	Relative Intensity
63.39770	0.3
69.10189	0.3
78.95905	71.8
82.50575	0.3
83.10745	0.3
84.45549	0.3
85.16637	0.3
85.23677	0.3
88.91943	0.3
96.96972	5.2
98.19945	0.9
107.55602	0.3
130.47742	0.4
145.08519	0.3
150.98056	1.5
152.99585	100.0
153.99918	1.5
171.00648	2.2
184.63708	0.3
192.18683	0.3
210.53966	0.3
242.41444	0.3
255.23352	2.3
291.03433	0.4
409.23590	13.9
410.23929	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.127
Annotation	t(6)a
Peak:m/z	Relative Intensity
52.18913	0.7
59.01382	8.1
59.92416	0.6
61.98833	1.3
62.80584	0.6
69.81071	2.7
71.01376	4.3
71.14465	0.6
72.00908	29.2
73.01228	0.9
73.02950	0.7
74.02043	1.0
74.02472	20.8
74.84159	0.6
83.23518	0.7
84.69917	0.7
87.00839	0.8
89.02462	0.7
96.96041	1.0
100.00408	22.4
100.04053	1.9
113.02495	0.7
116.92876	1.2
118.05107	100.0
118.57449	0.6
119.05463	2.0
131.80275	0.6
134.04663	0.7
135.03011	0.9
141.67429	0.6
144.03026	21.4
144.04137	1.5
160.02679	5.0
187.06131	0.8
205.08858	0.7
210.79671	0.7
231.03064	0.8
277.95657	0.7
394.16714	0.9
411.12933	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
58.50054	1.3
59.01379	9.1
61.42344	1.3
61.98819	1.8
64.16589	1.1
66.03473	1.5
71.01370	3.6
71.50945	1.2
72.00912	16.7
73.02942	5.7
74.99052	1.3
78.95888	2.4
92.05089	1.9
96.96008	5.6
96.96963	3.7
97.94786	1.5
98.95598	3.2
101.02443	2.7
109.02976	1.9
109.82328	1.3
116.05064	7.2
128.04999	2.2
130.06607	2.3
131.03761	6.8
134.03859	1.2
142.06609	26.2
144.04558	19.0
144.08095	1.2
145.05264	2.8
146.06122	9.3
147.96533	1.9
157.05298	2.6
157.07678	1.6
158.04788	2.3
158.06099	37.0
159.06425	3.3
160.04123	2.2
162.05637	2.7
167.06108	5.8
168.04518	2.8
169.07707	100.0
170.06133	14.1
170.08031	5.4
171.09325	1.4
172.04008	2.2
172.07674	2.2
174.05592	1.8
175.99695	1.4
181.07712	19.2
182.06062	1.6
184.03964	4.1
185.04832	7.7
186.05527	4.5
187.06120	1.3
188.07123	6.7
189.04227	1.4
190.05061	4.8
197.07120	1.5
199.08760	80.5
200.07283	2.6
200.09048	6.6
202.05077	16.1
203.05449	1.3
206.08165	1.8
211.08737	5.3
213.06682	1.5
214.05151	1.4
217.09857	3.0
225.06569	1.5
231.07718	2.8
243.07692	3.8
249.08778	3.2
261.08719	2.8
279.09778	2.3
308.11450	2.2
394.11227	1.3
406.61902	1.6
411.04681	1.6
411.14420	1.3
412.03067	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09433	4.5
59.01379	100.0
69.99007	14.7
69.99409	9.5
71.01382	79.7
72.99322	6.8
73.02950	68.5
81.03437	10.0
83.01393	19.2
85.02947	6.4
87.00938	4.0
87.98106	4.0
89.02446	15.5
93.03465	22.6
95.01392	5.2
96.96001	17.2
98.20582	5.3
99.00918	6.1
99.92559	4.8
101.02444	47.0
101.78253	4.3
102.25662	4.1
111.04543	7.0
113.02476	13.0
115.00379	59.5
116.92840	29.4
123.04507	21.0
125.02434	4.0
133.01425	85.0
133.02971	6.8
135.03044	5.1
137.02440	14.3
143.03517	4.4
144.04633	4.3
149.02402	5.8
151.04019	6.5
155.03571	7.8
161.04559	11.5
167.03502	11.1
172.05310	5.5
173.06084	5.2
175.07623	10.0
176.04797	14.3
177.09221	18.1
187.07664	30.1
201.09528	4.0
202.06340	6.4
205.08733	19.1
219.10274	7.4
230.25508	4.4
231.10229	14.9
249.11328	65.7
250.11763	4.8
275.09183	7.3
293.10367	21.7
337.01398	7.5
349.18799	4.3
365.14542	55.5
409.00040	7.5
409.12332	4.8
409.17203	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	408.0425
Annotation	Glucotropaeolin
Peak:m/z	Relative Intensity
53.91649	0.5
59.01376	2.8
63.96256	0.6
64.97040	0.8
69.99012	2.3
71.01376	1.2
74.99099	50.3
75.99424	0.7
79.95737	13.6
80.96504	2.6
85.02959	1.6
89.45671	0.5
93.67609	0.5
95.95236	57.1
96.96012	100.0
101.02422	0.6
116.42709	0.5
116.93120	0.5
119.03484	0.9
132.04578	0.6
136.80835	0.6
138.97075	1.7
145.05101	0.7
166.03258	2.9
191.05579	0.6
192.06087	0.5
195.03317	2.2
195.04951	0.6
212.00266	0.9
248.03641	0.6
259.01270	2.6
272.32584	0.5
274.99081	1.9
293.59692	0.5
359.56024	0.7
401.19778	0.6
408.04303	48.2
408.10132	3.6
409.04495	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	408.0428
Annotation	Glucotropaeolin
Peak:m/z	Relative Intensity
59.01377	2.5
64.96998	0.7
70.37448	2.0
71.01382	1.9
74.99097	50.8
79.95281	1.0
79.95739	14.9
80.96498	2.9
83.88858	0.7
85.02946	1.9
89.02460	0.7
95.95236	54.7
96.96013	100.0
97.95966	0.9
98.82231	0.6
101.02439	1.2
119.03526	1.1
127.92470	0.9
132.04602	0.6
138.97049	1.1
162.85533	0.5
166.03337	3.1
170.40184	0.5
172.95955	0.5
195.03325	1.8
214.98430	0.8
259.01276	2.3
274.99020	1.3
375.54291	0.5
408.04263	44.8
409.04486	4.7
434.79260	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
59.04235	0.5
60.01712	1.0
61.98822	0.6
62.17085	0.5
65.16428	0.5
65.60944	0.5
71.01398	1.7
71.51150	0.7
72.33627	0.5
84.41433	0.6
89.47396	0.6
114.14198	0.5
127.72678	0.6
130.08784	0.6
135.04562	1.3
347.12939	0.7
399.37277	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2202
Annotation	1-(9Z-hexadecenoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
53.39287	0.4
53.70942	0.4
57.24038	0.3
59.01370	0.6
71.35542	0.8
78.95904	100.0
93.90415	0.4
95.48389	0.4
96.96959	9.4
98.20586	0.4
126.84829	0.4
134.51517	0.4
145.46315	0.4
150.98019	1.7
152.99585	82.8
153.99922	1.5
156.01933	0.4
171.00638	65.0
172.00995	1.5
183.01236	3.0
211.47865	0.4
267.87448	0.4
275.94116	0.4
316.09494	0.4
325.18402	11.1
326.18854	0.7
357.09311	0.4
407.22174	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98820	10.3
69.68172	7.2
69.68513	46.2
70.97649	6.7
71.01391	39.1
73.02957	8.8
89.05805	6.6
90.45698	8.8
92.90630	7.8
98.19959	12.5
101.02435	14.2
109.02943	8.3
115.00375	27.8
116.87777	8.0
125.02393	13.7
133.01425	65.0
133.02927	8.2
134.03711	8.7
135.04556	18.2
151.04117	7.3
159.04475	11.9
161.02373	12.7
167.10765	13.9
171.10287	76.3
172.05246	8.2
175.07552	10.5
177.01926	14.6
179.03381	11.9
179.27289	7.4
183.13885	12.8
183.23929	7.5
185.06097	8.7
185.11826	40.5
189.02066	7.5
196.83250	7.8
200.04736	9.3
201.09241	16.5
202.02672	16.4
203.07152	9.5
203.10796	24.1
220.74615	8.6
229.08675	31.4
245.13910	58.7
247.09705	31.9
272.18558	7.2
275.09225	16.4
291.08542	21.0
389.10715	8.2
407.10291	22.3
407.19211	22.3
407.26718	51.6
408.14163	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	407.0998
Annotation	Fortuneanoside L
Peak:m/z	Relative Intensity
59.01374	2.0
69.03446	0.9
70.25826	1.7
71.01374	1.6
72.99304	1.1
73.02946	0.8
75.00468	0.6
75.00871	8.3
85.02944	0.9
87.00837	0.5
88.42173	0.4
93.03458	4.9
96.96024	0.5
99.04504	0.8
101.02451	0.8
101.04176	0.5
103.00377	5.8
109.02959	0.5
111.00884	1.5
111.04505	1.9
112.98814	1.8
115.00353	2.0
127.03991	0.5
137.02443	1.3
142.99841	0.6
143.03487	0.7
143.64713	0.4
155.03481	0.8
155.05185	0.5
173.04533	1.4
191.05634	5.7
192.05931	0.7
193.05896	0.7
199.04167	5.3
217.05229	17.8
218.05449	0.7
233.04724	1.6
237.05272	0.4
259.06332	1.1
264.30789	0.4
287.05847	0.6
289.03717	9.1
290.50439	0.4
295.37955	0.4
302.04517	0.5
306.04126	0.4
317.07056	0.8
345.06219	1.0
347.07782	0.4
375.07565	0.7
407.10034	100.0
408.10382	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	405.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
59.02762	1.4
61.98813	4.8
70.58793	3.1
80.79254	1.3
93.19059	1.4
179.32094	1.3
184.68436	1.2
224.07643	1.3
305.07315	1.6
405.30161	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89656	0.5
59.01381	100.0
60.01702	1.0
61.98840	1.8
69.64069	2.3
69.64479	1.3
78.05238	0.5
91.04036	0.8
98.20694	1.0
111.28249	0.5
152.79424	0.6
177.69205	0.5
200.09770	0.6
271.22723	2.5
335.25949	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55000	0.6
59.01379	100.0
60.01727	2.2
61.67638	0.6
61.98823	0.9
64.70490	0.7
70.12405	2.3
75.57076	0.7
78.21478	0.6
98.20621	1.2
103.04356	0.7
223.86038	0.6
235.90234	0.7
270.69751	0.7
271.22882	2.2
330.38617	0.8
358.37894	0.8
368.42596	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56011	0.4
59.01381	100.0
60.01714	1.3
61.98841	0.6
69.05286	0.3
69.73611	1.3
69.74022	1.2
71.01384	1.1
71.67272	0.4
73.02966	0.9
83.01429	0.5
85.02956	0.8
89.02488	0.5
94.32591	0.4
101.02456	1.4
113.02428	0.6
134.03758	0.9
159.04593	0.6
173.05841	0.5
174.06882	0.6
175.07686	0.9
177.09225	0.4
178.02837	0.5
187.07680	1.4
189.09224	1.3
202.06375	0.5
203.07152	0.7
203.10884	1.1
211.17860	0.5
214.09998	0.6
217.08762	1.4
231.10263	4.9
232.10832	0.8
233.11758	3.4
275.09329	1.3
288.15872	0.5
307.11783	0.7
313.36523	0.4
405.19064	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2127
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01870	1.7
57.03438	1.3
58.00592	1.8
59.01379	73.6
60.01707	1.3
61.98824	5.8
71.01379	53.4
71.51499	1.1
72.99307	2.4
73.02945	72.3
74.03302	1.5
75.00857	1.0
83.01383	2.5
85.02959	8.4
87.00860	1.9
89.02448	27.4
92.02075	0.8
95.01383	2.9
96.96014	7.3
97.02944	0.9
97.04041	1.3
97.06571	1.7
98.11358	0.8
99.00861	1.8
99.92614	1.2
100.92605	1.6
101.02445	20.4
105.03437	1.2
107.05026	0.9
109.02953	1.0
112.07623	0.8
113.02446	12.6
118.26411	0.8
119.03503	11.7
124.59840	0.9
125.03567	3.3
127.11251	1.2
129.01947	1.6
131.03487	1.3
133.02962	1.3
135.04489	3.2
137.02393	3.4
137.07204	2.7
139.05072	1.5
143.03558	1.4
143.04567	2.2
147.03014	1.6
149.02437	4.4
150.03151	1.6
153.12823	3.7
158.00945	1.0
158.02371	1.0
159.04498	1.0
161.04549	2.1
161.06085	1.1
165.05505	2.7
170.81165	1.0
173.06042	2.1
177.02010	2.2
177.04041	1.1
179.05602	2.8
187.07603	2.1
193.92400	16.0
195.06558	1.1
199.13393	5.6
201.09271	1.0
201.14905	7.6
207.14038	1.2
209.04491	1.4
213.09143	0.9
216.04285	1.3
225.05186	5.8
225.14983	1.6
227.07115	0.9
231.10179	3.1
243.16119	1.0
245.08086	2.2
246.08958	1.0
275.09305	1.2
307.17484	2.3
325.14185	1.1
329.17661	1.4
344.07516	1.2
345.19095	5.1
357.13312	2.7
363.20258	10.2
364.20828	1.6
387.14981	1.3
387.20172	1.9
405.15997	5.3
405.21246	100.0
406.21722	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	405.2127
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
57.03430	1.1
58.00594	1.1
59.01380	67.6
61.98808	2.6
67.65314	0.8
70.10871	3.3
71.01382	49.4
72.99292	1.8
73.02943	2.4
83.01359	2.3
85.02949	8.7
87.00838	1.2
89.02444	38.7
95.01361	2.6
96.96023	1.1
97.06601	1.1
99.00851	1.0
99.92633	0.9
101.01797	1.8
101.02439	24.4
102.41434	0.9
113.02445	13.0
119.03502	16.1
127.11271	1.5
131.03447	1.8
133.01410	1.2
135.04526	2.0
137.02470	1.0
143.03484	2.1
145.88689	0.9
149.04460	1.8
153.12845	6.7
161.02505	1.1
161.04494	2.7
161.05907	0.9
163.04080	1.1
173.06099	1.5
174.06781	1.1
179.05630	3.9
199.13425	5.3
225.11206	0.9
225.14919	3.7
245.08162	2.8
293.09741	0.9
387.20505	1.0
405.21176	100.0
406.09113	1.7
406.21484	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	405.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77571	0.6
59.01379	8.3
61.98830	100.0
71.01392	6.2
71.52024	1.0
73.02955	2.0
78.95924	0.8
83.01397	0.7
83.05039	0.8
85.02961	1.4
89.02463	1.0
93.03470	1.1
96.96016	0.7
101.02444	2.6
109.79909	0.7
113.02460	1.2
115.00377	1.6
116.60583	0.8
119.05067	1.4
133.01411	4.5
135.04575	1.3
136.07680	4.6
137.02432	1.4
149.02441	0.7
155.10796	0.9
157.11420	0.8
161.02449	0.7
161.04581	1.0
163.04001	1.5
166.76154	0.6
174.03278	1.2
174.93018	0.7
180.06686	4.3
180.35431	0.7
194.08290	1.4
199.09747	1.5
200.10051	0.8
215.97337	0.7
245.08299	0.8
289.07303	2.0
305.06958	1.2
342.11847	0.9
343.15341	0.8
405.15823	1.1
405.20459	1.0
405.25394	3.3
406.09357	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	405.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.2
59.52238	0.2
67.01886	0.3
68.80654	0.2
69.03472	0.3
70.65857	0.3
71.01379	0.7
81.03461	0.4
83.05026	0.4
85.02953	9.4
86.03300	0.2
87.00886	1.8
93.03462	3.3
99.00857	0.3
99.04519	0.4
109.02941	0.9
111.04538	1.3
127.04018	2.3
143.31985	0.2
144.35674	0.2
155.03523	0.3
171.03056	0.6
171.67674	0.2
173.04512	1.2
191.05605	100.0
192.05952	4.1
226.56589	0.2
311.83185	0.2
340.74377	0.2
387.08771	0.3
405.10098	31.3
406.10513	2.9
414.57465	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.6
59.01378	15.9
61.98830	100.0
65.03972	0.6
69.60387	2.4
69.60796	1.3
69.88625	0.6
71.01379	4.3
72.99308	0.7
73.02965	1.9
78.59088	0.6
83.05033	0.8
85.02969	1.1
89.02454	1.3
97.06573	0.7
98.20580	1.2
101.02456	1.9
107.05053	1.3
113.02467	2.3
115.00392	2.5
119.05032	8.2
121.02914	0.6
133.01424	4.1
133.02931	1.4
135.04523	33.3
136.04866	1.9
152.01137	0.8
161.02452	9.0
161.04512	0.8
163.00403	1.9
163.03984	7.3
178.05043	0.8
180.06705	2.2
183.04639	0.6
183.10332	2.2
187.35582	0.6
206.04570	23.7
207.04996	1.4
237.62627	0.7
243.06645	0.8
243.12340	5.8
243.16156	0.6
289.10959	0.9
311.05670	2.2
329.06729	1.4
342.09799	18.7
343.09875	2.5
405.17270	3.2
405.25208	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	405.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87071	1.7
59.01376	37.3
61.98831	100.0
69.24623	16.4
71.01373	17.3
73.02946	4.0
74.63750	1.8
85.02940	2.6
89.02442	7.3
93.03453	3.5
100.00347	2.7
101.02425	6.4
113.02422	3.9
115.00358	7.3
119.05018	22.5
123.04575	2.3
128.03830	1.6
133.01421	18.6
135.04515	14.2
145.02957	23.2
150.05635	2.3
160.04025	5.3
161.02420	2.8
161.04520	3.7
163.04111	2.6
169.08659	3.4
178.05096	26.6
179.03455	4.4
183.04530	3.3
183.10258	2.6
196.06255	2.4
198.24095	1.9
206.04674	4.4
207.03123	2.0
213.09262	8.7
222.04054	24.2
227.07141	1.8
241.01741	2.9
243.12386	4.9
245.08150	2.0
285.13382	2.3
289.07495	2.9
289.10773	6.0
298.10883	2.4
342.09790	42.7
343.10223	5.5
363.16492	3.3
405.12723	1.7
405.17227	9.9
405.24969	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	404.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59315	0.3
61.98830	100.0
71.20411	0.8
72.20638	0.3
83.68004	0.3
85.02953	1.7
87.00887	0.4
126.00989	0.3
127.04059	0.5
133.07549	0.3
144.65741	0.4
191.05620	17.5
252.26245	0.4
276.29376	0.4
349.21063	0.4
400.60071	0.3
405.10114	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	404.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79451	1.2
58.02976	9.6
58.08366	1.1
59.01377	7.2
61.98829	24.7
69.02620	1.6
70.02943	2.1
71.01385	2.8
72.00915	2.7
74.02471	20.7
82.02985	3.0
85.15253	1.4
86.02472	10.2
87.05634	5.4
88.04053	1.5
90.00195	2.5
97.04076	3.0
99.05644	22.1
101.07218	2.4
102.05629	3.1
109.04087	2.0
112.04054	3.6
113.07205	1.6
116.01738	2.5
123.05663	2.1
124.03970	1.5
127.05127	3.9
128.03543	60.1
133.01421	3.0
135.05624	3.9
141.06689	5.1
141.55623	1.3
143.04628	83.0
144.04991	1.8
145.06166	4.0
146.04597	8.6
153.06677	5.1
155.08315	1.9
157.85710	1.4
160.00739	24.7
166.09920	3.0
167.04562	5.6
167.08232	3.0
170.03424	2.8
170.05009	1.6
177.03366	9.2
179.04625	17.2
181.06126	2.4
185.05661	4.0
196.38242	1.4
197.05751	2.5
210.08844	15.7
242.07715	2.7
254.07787	24.8
272.08896	39.9
273.09033	1.8
288.06610	11.4
289.06815	1.8
306.07666	100.0
307.07874	6.2
340.50797	1.6
388.59952	1.6
405.17355	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.69718	0.4
66.76437	0.3
69.26454	2.5
75.53358	0.4
98.20599	0.8
191.05597	0.9
287.23935	0.4
296.04092	0.4
314.05109	0.7
404.08585	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98920	1.2
59.01372	2.0
61.98828	27.3
62.51261	1.3
68.99809	1.8
69.84734	6.2
71.01367	1.7
81.03471	1.1
82.02968	3.0
83.01378	2.4
85.02967	1.3
90.32425	1.2
91.01904	4.3
91.41429	1.4
97.02956	4.2
99.00883	22.5
108.04539	1.4
109.02946	3.8
110.02478	3.5
112.00350	1.7
118.06629	1.6
119.04957	1.7
121.02975	2.8
123.04550	1.4
124.04008	4.2
125.02458	2.0
126.05582	2.8
132.04532	1.4
135.04488	1.8
141.01930	3.5
144.04547	2.2
146.06107	2.6
148.03964	2.9
149.02567	1.5
149.92603	1.3
150.05609	5.3
151.03983	3.1
152.03519	13.0
160.03925	1.4
161.02394	3.3
162.05603	4.6
163.00330	2.0
163.03967	5.3
164.03569	3.5
164.07121	3.3
165.01979	1.6
166.05049	2.9
176.03549	6.1
177.01959	7.0
188.03517	5.6
189.01912	8.2
189.03607	1.6
190.05086	11.0
190.99811	2.5
191.03493	5.7
192.06538	1.3
194.04584	12.0
198.24387	1.3
204.00562	1.3
204.06464	1.5
206.04565	3.3
208.06194	3.0
216.03069	6.1
217.01425	12.6
220.02519	2.0
221.00838	1.6
234.01892	1.6
234.04073	24.5
235.02448	6.2
235.04480	2.0
238.03500	5.9
252.05020	3.8
256.04584	4.8
278.03113	12.2
279.01340	8.1
284.04202	1.6
296.00815	2.8
296.04095	43.7
297.04889	1.8
314.05179	44.7
315.05545	3.5
368.06146	4.5
381.81714	1.3
382.15546	1.4
386.07275	37.5
387.07687	2.0
404.08307	100.0
405.08606	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	402.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05432	16.1
69.43737	100.0
74.57390	17.3
98.20665	28.8
102.89590	12.8
215.74414	16.2
307.64822	14.9
321.69144	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	403.161
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89532	0.3
52.43261	0.3
53.50484	0.3
57.03445	0.7
57.90365	0.3
59.01378	11.3
61.98832	3.3
69.03453	0.5
69.46455	1.9
69.46878	0.5
71.01377	5.3
73.02953	4.0
75.70341	0.3
80.48544	0.3
81.03453	1.3
83.01389	1.0
83.05025	10.0
85.02953	1.3
89.02453	1.6
94.65665	0.3
95.05042	0.5
97.02939	0.4
97.06567	0.5
99.92587	0.4
101.02439	2.9
109.06598	1.0
113.02422	1.3
118.98045	0.3
119.03516	0.5
119.08662	0.4
125.02397	0.4
125.06130	0.3
135.03044	0.3
135.04494	1.0
135.08145	1.1
137.09721	20.3
138.10057	1.1
149.09639	0.6
149.86681	0.3
155.10780	35.7
156.11099	2.0
161.04559	0.5
169.12317	0.6
179.10687	1.1
181.08691	5.7
181.12354	0.4
199.09746	100.0
200.10080	5.7
213.11295	1.0
223.09744	4.9
241.10863	2.1
244.47354	0.4
259.19073	0.5
283.10895	0.6
327.09888	1.2
343.21475	0.4
371.08664	0.4
403.10287	0.4
403.15302	0.7
403.23590	7.5
403.28848	0.5
404.23712	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54863	1.0
59.01382	100.0
60.01697	1.4
71.01356	1.3
72.47150	1.1
86.08710	0.9
95.61887	1.0
104.89761	0.9
121.37180	1.1
123.03293	1.1
131.09921	0.9
138.04546	2.1
138.05617	37.3
139.05957	1.4
180.06659	1.8
233.81271	1.3
342.11877	16.8
343.12073	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22090	0.7
53.95747	0.7
57.03411	0.9
58.00592	0.9
59.01379	70.7
60.01700	2.8
62.75824	0.7
71.01388	13.3
72.01717	2.1
72.99316	0.8
73.02956	4.9
74.03302	0.7
80.33907	0.6
83.01393	2.3
85.02946	4.3
87.00868	1.7
89.02442	8.7
89.44288	0.6
90.02742	1.2
95.01411	0.8
101.02451	10.0
102.02794	1.6
103.00372	10.7
113.02457	3.9
114.02782	1.0
119.03492	3.8
135.04507	0.7
145.06528	1.0
161.04523	1.7
186.56619	0.7
199.13544	0.8
212.07129	7.7
259.22720	0.7
266.11853	7.0
267.12085	0.8
281.08347	1.2
282.08618	3.6
298.14471	37.1
299.14819	3.7
316.15594	3.8
341.10580	1.2
342.10629	7.0
342.16531	1.5
343.17560	1.9
358.16583	100.0
359.12500	0.9
359.16913	14.5
360.17441	2.3
361.18604	7.1
384.14700	1.0
402.18280	8.6
403.19446	10.3
408.85257	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08189	1.1
59.01381	8.0
61.98830	100.0
69.44996	2.2
69.45404	4.6
71.01381	4.8
78.95907	4.6
96.96970	3.1
98.19976	2.3
101.02413	2.4
105.03465	1.8
109.02980	1.1
115.00356	2.0
120.95581	1.1
133.01411	2.5
133.02954	4.1
135.04565	5.9
137.02408	1.4
139.00404	1.4
141.01991	1.9
143.04614	3.5
149.02489	1.4
166.27528	1.3
173.06020	1.4
177.01924	81.2
178.02242	5.1
181.05029	1.1
213.05225	1.4
217.05164	1.1
240.04060	2.4
241.04967	7.1
242.05360	7.2
258.36618	1.1
285.04031	5.5
286.04306	11.8
339.07175	8.8
339.58908	1.2
359.07834	1.7
403.05756	1.5
403.15570	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.5
57.03450	2.1
58.00596	3.1
59.01379	100.0
60.01715	0.8
64.32675	0.5
64.51047	0.4
65.75657	0.4
69.12209	0.4
69.25442	3.1
71.01381	58.6
72.01719	0.8
72.42838	0.4
72.99302	3.7
73.02950	7.1
75.00872	0.4
80.96503	0.4
83.01388	3.9
84.02210	0.4
85.02953	13.3
87.00877	3.1
89.02444	54.8
90.02779	0.8
95.01389	3.2
97.02921	0.7
99.00880	3.4
101.02442	38.6
102.02757	0.6
103.00378	2.7
110.52926	0.4
113.02448	24.2
114.02738	0.4
117.76373	0.4
118.98074	0.6
119.03502	21.0
120.03791	0.7
121.02969	0.6
122.43506	0.4
125.02441	0.6
129.01909	0.4
131.03462	1.9
135.04500	0.5
135.92265	0.4
143.03496	3.4
147.23827	0.4
149.04497	1.9
159.02928	1.2
161.04556	12.1
177.12733	0.8
179.05632	3.8
199.03827	0.5
212.07208	2.8
221.15262	0.8
239.16296	1.8
241.04871	0.6
266.11606	1.3
281.07849	1.3
285.04004	0.5
298.14499	9.6
301.75537	0.5
307.57883	0.6
316.15271	1.0
341.10382	2.6
341.14053	0.5
341.15652	0.5
358.16574	27.7
359.16943	1.0
383.20468	1.4
401.16547	2.2
401.22156	6.3
402.21912	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62106	7.7
59.01379	86.6
61.98812	15.6
66.34269	8.8
69.98632	9.6
70.70036	17.0
70.70368	18.2
71.01372	45.7
84.08006	7.3
85.02953	12.8
89.02457	65.4
90.72449	7.9
94.95704	19.8
101.02435	30.8
113.02450	21.1
119.03489	22.3
123.74276	9.6
144.01614	9.7
165.61778	7.5
175.97072	8.6
178.97824	10.2
179.05576	24.7
180.08348	7.3
191.05626	10.1
227.04085	21.2
232.29594	9.0
341.10858	100.0
342.11832	10.6
365.55829	8.4
401.09158	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.5
57.03428	2.3
58.00579	1.7
59.01378	100.0
60.01722	1.3
69.03444	1.7
69.55995	4.0
69.56399	1.7
69.78637	0.9
69.99228	0.7
71.01379	39.7
72.99312	1.8
73.02944	50.1
83.01392	13.0
85.02946	8.3
87.00867	2.6
89.02443	12.7
89.02952	1.4
94.43540	0.9
95.01376	2.3
95.89707	0.9
97.02946	1.4
99.00881	2.0
101.02441	36.2
103.00352	2.4
113.02454	11.3
119.03487	4.1
121.02937	1.3
125.02462	1.4
131.03505	2.4
135.04521	8.5
135.11819	1.9
143.03464	3.1
145.02946	4.7
146.03763	1.1
147.04471	0.9
149.04497	0.9
161.04543	2.4
167.10693	1.0
179.10789	12.7
180.11151	1.1
197.11838	4.0
211.07730	0.9
212.07202	2.1
237.05472	1.0
238.06454	1.2
239.07155	2.1
253.04961	1.2
253.08624	1.8
254.05814	3.2
263.07166	2.4
264.07837	1.8
265.08606	2.3
266.05835	1.7
266.11887	2.8
267.06601	7.5
271.05914	0.9
281.08191	45.1
282.08826	13.3
296.06906	2.5
297.11218	1.5
298.14569	9.0
323.09406	1.3
326.07874	8.6
341.10269	70.4
341.16022	12.4
342.10706	7.2
342.16470	1.1
358.16592	25.3
359.17090	31.3
360.17474	3.1
401.18134	87.0
402.18509	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	401.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81767	8.4
58.61988	9.0
59.01379	62.3
66.78481	8.1
69.63680	46.4
69.64098	14.0
71.01380	30.4
71.31065	8.7
82.27573	9.3
85.02959	14.6
87.00881	11.5
88.57629	10.9
89.02455	58.2
98.20744	9.7
101.02441	29.5
103.60555	9.0
109.64554	8.7
113.02438	13.5
119.03459	18.1
119.74646	8.9
122.07626	8.4
122.51367	8.5
179.05582	26.0
191.05634	98.3
199.75549	9.1
222.28603	9.5
222.86719	8.4
236.75783	8.7
259.11066	10.3
341.10812	100.0
342.11450	9.9
362.75781	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	401.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84455	0.5
59.01373	4.6
60.93857	0.5
61.09933	0.5
69.66319	2.4
71.01385	10.7
75.71806	0.4
89.02443	0.5
94.61771	0.5
101.02450	0.5
110.86822	0.5
115.00375	9.7
119.49714	0.4
133.01436	6.0
134.06168	0.5
152.07150	0.6
167.05029	0.5
171.04507	1.5
177.01978	0.8
185.06061	1.8
195.04689	0.9
195.06544	1.3
196.05190	1.0
196.07042	0.7
197.07182	1.2
199.04018	1.5
207.50003	0.5
211.03960	3.8
212.04762	5.3
213.05571	7.1
223.03929	1.0
224.04799	8.0
225.05138	0.8
227.03468	0.7
239.03493	2.7
240.02205	0.4
240.04276	26.8
241.05052	72.8
242.02335	1.0
242.05420	5.6
243.02890	1.2
267.02966	2.0
285.04047	100.0
286.04376	9.1
357.06262	0.6
401.04834	1.3
402.08188	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51708	2.3
59.01109	3.0
59.01385	38.5
61.98822	15.9
71.01376	28.8
71.51395	3.7
72.99310	4.1
73.02959	15.7
74.02481	2.8
78.95895	6.3
83.01381	3.9
89.02444	6.1
91.89625	2.0
95.01360	3.1
96.96012	3.0
101.02470	10.2
108.02172	3.2
109.02953	39.1
113.02407	5.4
115.00392	11.5
119.03503	3.1
123.04528	3.0
125.02440	2.8
133.01425	8.6
133.02888	2.6
134.03708	2.9
135.04527	5.3
137.02502	3.8
137.06061	2.8
143.04562	5.1
149.02367	2.3
151.03976	3.8
152.01111	4.2
153.01939	76.3
161.04524	2.7
162.83875	2.7
165.01865	2.4
169.70178	2.3
177.01898	19.8
177.03419	5.3
179.07120	3.9
195.02997	16.2
195.04562	3.7
211.03963	4.0
212.04758	4.7
213.05534	14.4
224.04723	7.2
227.03400	2.9
234.09955	2.1
240.04285	28.9
241.05058	73.8
242.05440	4.1
284.03094	2.5
285.04044	100.0
286.04355	5.9
297.06027	3.7
313.06894	2.3
341.10852	9.7
357.08374	60.2
358.08630	4.1
401.05142	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	400.1005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77406	0.5
54.21791	0.6
57.97562	100.0
59.01396	0.8
69.56532	3.8
71.01387	0.7
79.95729	5.6
80.96516	1.0
83.06150	15.6
95.95213	4.3
96.84412	0.5
96.96035	1.7
121.02982	1.2
151.00705	49.0
152.01030	1.0
160.23267	0.7
178.01855	0.7
180.03346	1.1
194.01247	1.4
209.98997	34.7
210.99318	1.2
235.07574	26.3
236.07886	0.9
288.96393	0.6
302.71600	0.7
314.14706	0.6
366.12802	0.6
400.10031	49.0
401.10275	4.1
416.92630	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.0273
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	26.6
61.98811	2.4
70.79715	1.5
71.01373	0.7
115.02525	1.6
116.92828	0.8
117.00439	8.7
141.00456	1.6
156.90868	1.2
157.03574	1.3
159.01505	12.7
160.01530	0.8
169.69984	0.7
174.99480	9.4
195.86115	0.6
198.91986	1.4
198.99474	7.6
199.99437	1.0
201.02550	4.1
215.02631	1.1
216.02721	0.7
217.00526	27.0
218.00655	4.1
231.00609	1.4
232.98503	3.2
237.51033	0.6
241.00548	8.4
242.00658	1.3
256.98499	1.2
259.01563	31.1
260.01691	5.3
273.01605	5.6
274.01849	1.5
274.99606	26.5
275.99713	5.8
285.70740	0.6
298.99500	3.0
301.02679	1.1
315.02719	8.5
316.02747	1.9
317.00623	57.7
318.00763	15.1
340.96893	0.7
341.00342	2.9
357.03748	6.8
358.03879	1.7
359.01685	51.1
360.01843	12.6
383.01544	4.6
384.01605	0.9
401.02728	100.0
401.97516	1.3
402.02872	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	399.2384
Annotation	Pterodontoside G
Peak:m/z	Relative Intensity
50.13712	0.4
54.98838	0.3
55.01876	2.5
57.03453	3.5
58.00595	2.5
59.01379	59.0
60.01711	0.6
61.98840	0.5
64.86494	0.4
69.03463	0.5
69.20121	1.5
69.20552	1.9
71.01380	59.6
72.01719	0.7
72.99308	4.1
73.02943	11.7
76.39085	0.4
83.01385	7.4
85.02946	19.7
86.03285	0.5
87.00887	3.5
89.02444	36.9
95.01383	4.9
96.96011	1.2
97.02946	1.3
98.20683	0.7
99.00868	5.2
101.02439	46.1
102.02768	1.2
111.00846	0.7
113.02446	23.7
114.02792	0.6
115.00349	0.4
119.03500	16.5
123.00900	0.4
125.02455	1.2
129.01918	1.2
131.03473	1.3
139.00368	0.5
143.03484	3.0
149.04512	1.1
159.03001	3.4
161.04556	15.6
162.04970	0.5
165.12863	1.9
177.12886	0.6
179.05592	2.0
193.15884	0.6
219.17545	0.7
237.18587	13.2
238.18805	0.7
242.83537	0.4
255.26280	0.4
272.62854	0.4
283.13336	0.4
339.25308	1.4
355.07983	0.9
357.26419	0.5
371.27905	0.6
381.26364	0.5
398.73187	2.0
399.23840	100.0
400.24179	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	399.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19551	0.3
51.88950	0.3
54.33562	0.3
55.01883	3.7
57.03455	3.2
58.00592	5.0
58.23848	0.3
59.01379	100.0
60.01712	1.1
65.85591	0.3
69.03464	0.6
70.89532	0.7
71.01382	95.0
72.01730	1.6
72.99310	6.6
73.02947	13.0
75.00878	0.9
79.19205	0.3
82.45238	0.3
83.01387	8.2
85.02950	26.8
86.03288	0.4
87.00873	4.4
87.04511	1.1
88.95313	0.3
89.02444	87.8
90.02794	1.4
95.01396	6.9
97.02940	1.2
99.00883	4.8
101.02441	62.9
102.02781	1.0
111.00845	0.5
113.02451	36.9
114.02784	1.1
119.03498	35.7
120.03822	0.6
125.02422	1.3
129.01926	0.5
131.03506	3.1
143.03482	5.3
149.04543	2.7
151.36131	0.3
155.23094	0.3
159.03000	2.4
161.04555	10.0
179.05614	4.9
249.26740	0.4
280.07352	0.7
286.51859	0.4
325.20660	0.4
399.17465	0.4
399.23895	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45580	0.5
54.82507	0.6
55.01876	4.4
56.15165	0.4
57.03447	3.6
58.00592	3.6
59.01379	100.0
59.80920	0.4
60.01711	1.0
67.01918	0.4
69.03457	0.5
71.01382	81.9
72.01713	1.7
72.99313	3.9
73.02948	10.8
73.03358	0.7
75.00868	0.8
83.01388	7.9
84.02185	0.5
85.02950	25.0
87.00871	3.6
87.04510	1.2
89.02444	77.6
90.02766	0.9
95.01385	6.2
97.02942	0.9
99.00870	5.0
101.02442	53.2
102.02769	0.9
113.02450	32.3
114.02768	0.7
119.03500	31.0
119.95153	0.4
120.03835	1.1
125.02443	1.1
131.03502	3.8
143.03511	4.2
143.30000	0.4
149.04520	2.6
159.02994	2.3
160.05942	0.4
161.04543	8.9
179.05614	3.9
180.15387	0.4
186.14453	0.5
188.03311	0.4
266.91745	0.5
311.12820	0.5
378.77777	0.4
398.73199	0.5
399.23569	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03369	0.3
56.81522	0.3
59.01378	26.8
60.01707	0.5
71.01376	1.3
81.36862	0.3
85.02951	0.3
90.93406	0.3
101.02406	0.6
108.02180	2.4
113.02415	0.7
119.05019	1.8
121.02937	1.4
122.03799	0.5
123.04534	3.7
124.01664	1.5
125.02399	0.3
134.03734	0.5
135.04530	9.8
136.05322	7.0
150.03224	0.6
151.04030	2.2
151.07629	3.7
161.04533	0.4
162.03188	0.4
177.05551	0.4
195.06618	100.0
196.06943	4.8
226.88252	0.3
251.11401	1.2
255.02956	0.4
339.10776	0.3
355.04758	0.5
399.03073	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	5.2
57.03441	2.3
59.01380	39.2
69.29617	8.1
70.92290	0.9
71.01387	45.8
72.99338	1.2
73.02949	16.5
83.01384	7.5
85.02953	24.8
87.00851	2.9
89.02454	8.2
89.06077	1.4
95.01383	3.6
98.20690	1.9
99.00893	6.8
101.02445	45.4
111.00880	1.8
113.02448	19.9
119.03499	1.8
121.02963	27.5
122.03284	1.6
143.03485	3.2
143.21683	1.0
147.26738	0.9
159.03015	6.1
161.04559	43.8
162.04866	1.7
164.10637	0.8
175.03983	1.0
180.07930	1.5
188.77597	0.9
195.10262	1.5
217.01239	1.3
237.07524	1.1
244.80902	0.9
249.89639	0.8
251.11356	100.0
252.11690	6.4
311.64532	0.9
399.12924	17.8
399.17914	1.4
400.13519	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0996
Annotation	S-acetylphosphopantotheine
Peak:m/z	Relative Intensity
59.01383	3.9
60.46153	0.3
61.98845	0.6
62.96414	0.4
69.63002	0.7
69.63418	1.0
71.01380	1.0
73.02961	0.6
74.99100	1.1
78.95907	100.0
85.02964	0.4
87.53490	0.2
87.60197	0.3
88.98172	0.3
89.02479	0.3
93.03474	0.5
95.41470	0.3
96.96964	28.6
99.00909	0.3
99.92618	0.3
101.02437	0.8
115.00388	0.3
115.92123	0.4
117.03437	0.3
119.05046	0.7
121.03008	0.5
123.04532	0.6
133.01462	0.5
135.04556	1.4
136.05283	0.5
151.04027	0.6
151.07695	0.4
162.03210	1.0
163.03989	0.6
177.05597	1.8
189.01912	0.7
191.01134	0.3
194.04646	0.3
195.04836	0.7
195.06624	11.2
196.06952	0.4
208.03793	0.3
227.03506	0.3
251.93858	0.4
280.05844	0.6
311.05563	0.6
323.10272	0.9
338.30511	0.3
339.07541	0.5
339.11307	0.3
355.04578	1.3
357.08893	13.2
358.09119	0.8
399.09921	30.3
400.10358	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	399.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	13.8
61.60530	1.0
69.16567	10.2
71.01385	2.3
71.41139	1.0
90.31584	1.2
98.19804	1.7
101.02456	1.2
105.03497	1.0
117.03476	1.4
126.41319	1.0
133.03018	1.3
134.03748	2.6
135.04515	8.5
145.02945	13.9
147.04491	1.1
149.06042	3.4
159.04486	5.8
160.05263	2.1
161.02431	1.0
177.02034	1.1
195.06589	1.7
206.07310	2.9
207.08047	2.4
209.06018	1.5
211.07570	1.1
223.07523	5.0
224.08391	7.9
233.06079	1.1
234.06853	2.1
235.07579	5.2
238.06374	1.4
239.07100	1.9
251.07118	15.2
251.09729	1.3
251.10774	1.3
252.07870	7.9
253.04964	1.4
253.08560	2.6
261.05554	2.1
262.06354	2.2
263.07071	17.3
264.07623	2.8
265.05154	1.8
266.05734	2.6
267.06583	2.8
267.10229	1.6
268.07285	3.1
277.08661	4.1
278.09369	1.2
279.06622	10.2
279.09863	1.7
280.07397	85.8
281.08084	18.0
282.08646	1.4
283.09811	2.1
284.06677	1.8
293.08371	1.0
295.09732	100.0
296.10248	21.1
297.10910	1.5
309.07599	1.4
310.08508	2.7
311.12842	2.7
337.10626	1.1
339.08539	1.2
340.09467	9.5
355.11847	52.7
356.12018	5.9
399.10468	5.9
399.19519	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	398.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.1
69.94324	0.8
71.01376	1.3
72.96497	0.3
73.02943	1.0
79.78428	0.2
79.95747	0.2
81.03432	0.3
85.02972	0.3
101.02467	0.4
103.04338	0.3
104.05052	1.3
106.06625	100.0
107.06954	3.9
108.08196	0.6
113.02451	0.6
118.06632	3.1
120.08217	0.9
131.03751	0.5
134.03784	0.6
134.06113	0.5
135.04097	0.3
140.44051	0.3
146.06108	1.3
148.07703	0.4
150.05600	77.9
151.05962	3.9
155.03481	0.2
162.05600	0.5
164.07161	14.2
165.07515	0.8
174.05516	0.4
178.02744	0.3
179.03085	0.4
190.08775	0.6
192.06664	10.2
193.05046	0.9
193.06963	0.7
194.04532	11.7
195.04929	0.7
234.07779	0.3
234.44678	0.3
236.05678	1.0
338.08679	0.5
358.96545	0.3
398.10913	2.5
399.11118	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29339	0.6
59.01387	5.3
61.98831	100.0
65.18829	0.5
68.99821	1.1
70.97885	1.3
71.01383	1.3
73.02969	0.6
75.00890	1.0
75.34938	0.6
80.05054	5.1
81.36625	0.6
86.69697	0.6
91.29358	0.6
94.06719	0.8
96.09300	0.8
99.92596	1.0
101.02464	0.6
122.06100	1.2
132.04552	13.1
133.38513	0.7
134.03784	2.1
135.04565	1.2
138.05617	0.7
150.05592	16.1
161.02504	0.9
162.03229	0.8
162.05553	0.7
177.05571	1.4
189.93428	0.7
193.05084	1.9
194.04550	29.9
195.04962	1.0
195.06621	11.7
208.06169	3.7
224.24464	0.7
236.05655	6.3
250.92691	0.7
308.07596	0.6
311.05704	0.6
380.09512	0.6
398.02643	0.7
398.10968	1.0
399.03568	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.6
57.03450	3.6
58.00597	5.2
59.01380	100.0
59.37587	0.8
60.01719	1.7
63.16339	0.8
67.01903	0.8
68.99837	0.9
69.03458	7.2
70.07688	0.9
71.01382	92.4
72.01720	1.7
72.99313	7.9
73.02949	22.9
75.00884	2.1
81.03456	3.5
83.01382	11.9
85.02950	21.6
86.00117	1.3
87.00878	22.2
89.02445	77.4
91.04000	2.2
93.03457	2.5
95.01392	8.9
95.05075	1.3
97.02947	17.0
98.19905	2.8
99.00890	6.9
99.04568	0.9
101.02444	78.4
102.02744	1.4
103.00379	1.0
103.04002	2.5
106.32692	0.8
109.02940	2.2
111.00893	1.4
111.04530	4.5
113.02454	30.9
115.04019	2.9
119.03501	29.0
121.02940	2.0
124.01625	0.9
125.02449	24.3
125.06116	0.9
126.02780	1.2
127.04016	1.6
130.44498	1.0
131.03503	3.6
133.05110	7.7
139.04002	3.6
141.01971	1.9
143.03499	10.7
149.04523	2.1
161.04549	13.6
167.03535	1.6
169.05040	3.2
177.01874	1.0
179.05630	6.0
185.04594	1.1
197.38889	0.9
199.06189	1.4
203.05612	1.2
217.07233	2.6
221.06650	4.1
235.08221	21.5
236.08582	1.7
245.06554	1.6
253.09242	2.1
253.69666	0.8
263.07809	1.8
277.09341	1.8
280.31735	0.9
287.07776	1.5
305.08826	2.9
323.10037	1.6
361.11414	1.5
379.12466	2.5
397.02222	2.4
397.13507	79.6
398.13916	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	397.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94075	1.4
55.01870	5.2
57.03439	2.7
58.00591	5.2
59.01379	100.0
61.54434	1.1
61.98814	1.6
68.36588	1.2
69.03448	5.3
70.97648	1.1
71.01382	80.9
71.47600	1.2
72.99314	10.1
73.02950	18.2
75.00879	2.2
78.95885	4.0
81.03461	3.2
83.01382	11.1
85.02950	18.6
86.00098	1.7
87.00877	19.2
89.02441	62.5
89.99485	1.2
91.04022	1.9
93.03452	1.7
93.44928	1.3
94.47720	1.2
95.01385	5.1
97.02953	16.0
99.00906	6.0
99.04505	2.1
101.02441	68.1
102.02776	1.7
103.04008	2.7
103.52959	1.4
109.02936	2.2
111.00883	2.0
111.04527	2.9
113.02440	31.9
114.02821	1.5
114.17065	1.3
115.04034	1.7
119.03506	24.9
121.03038	1.5
123.04560	1.6
124.01632	1.9
125.02454	20.2
131.03517	3.2
133.05089	4.9
139.04005	3.5
141.01884	1.7
143.03534	9.8
149.04570	2.6
161.04552	10.9
169.05026	3.1
177.01878	1.5
179.05629	4.6
199.06180	1.7
217.07141	3.4
221.06586	2.7
229.00137	1.2
235.08221	20.9
235.10446	2.3
253.09291	2.7
263.07758	2.1
267.33682	1.3
277.09122	2.1
287.07846	2.8
305.08624	1.8
305.21198	2.3
354.43643	1.3
383.83524	1.3
397.02347	3.4
397.13510	69.4
398.13919	6.0
415.59488	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.02
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.7
61.98821	0.6
70.97733	1.1
71.01369	0.9
86.87877	0.5
89.03956	0.7
105.03455	0.7
121.02938	1.0
133.02991	3.4
134.03751	14.1
135.00923	1.2
135.04239	0.5
137.02440	2.2
145.02917	0.7
147.00943	0.8
149.02414	1.8
149.06091	4.2
161.02509	0.6
165.07059	0.9
167.04976	0.7
169.06654	0.6
173.02425	1.0
175.00319	1.0
175.03983	0.9
176.01181	0.6
177.01936	28.7
178.02718	8.5
179.03091	0.6
179.04790	0.5
180.05869	0.8
181.06604	1.0
183.04530	1.0
185.06052	1.0
189.02008	1.0
191.04979	0.7
193.05063	22.2
193.06612	2.8
194.05344	1.6
195.04443	0.7
197.06093	0.7
198.03238	0.5
201.01988	0.8
202.76114	0.5
207.04425	0.8
209.06082	4.3
211.03995	1.9
217.01422	6.4
219.04515	1.5
223.03812	0.9
225.05574	1.3
227.03488	0.6
229.05055	1.3
235.03967	4.7
236.04744	1.2
237.05568	6.3
239.03561	1.3
251.03445	3.6
252.04114	0.7
253.05092	7.1
257.04587	2.1
263.03494	2.4
264.04190	0.7
265.05026	1.3
267.02890	1.7
279.02960	7.2
280.03592	0.8
281.04556	9.3
283.02628	0.8
291.02960	0.8
297.04068	4.6
307.02463	8.3
308.03180	2.0
309.04037	23.3
310.04150	2.5
325.03418	3.1
329.98111	0.6
335.01959	32.1
336.02338	4.0
353.03015	42.8
354.03180	4.6
379.00708	0.7
397.01981	100.0
398.02322	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	397.02
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.2
61.98824	2.4
66.82879	0.6
71.01382	1.2
73.02953	0.5
84.11441	0.5
85.02969	0.8
86.18309	0.5
89.03936	0.9
92.27602	0.5
102.80079	0.6
105.03456	1.3
111.00896	0.5
115.00404	0.7
121.02930	0.7
122.55191	0.6
123.82555	0.6
133.03006	3.4
134.03745	16.3
135.04465	2.2
137.02386	2.1
137.61977	0.6
139.04117	0.5
140.14404	0.5
145.02859	0.6
147.00916	2.6
149.02466	4.0
149.06113	4.5
151.03851	0.7
152.99619	0.8
160.01584	0.9
161.02451	0.9
163.00343	0.6
167.04965	0.9
175.00377	2.6
175.03958	1.5
177.01929	29.5
178.02707	8.3
179.03404	1.8
181.06619	0.5
184.38443	0.6
189.01938	1.5
191.05092	0.7
193.01408	0.8
193.05055	24.7
193.06631	2.3
194.05328	1.1
195.04494	1.0
201.01994	1.2
202.99838	0.6
207.04515	1.7
209.06050	4.8
211.04045	1.6
216.00552	0.5
217.01355	5.3
219.04501	1.4
223.03967	1.8
225.05582	1.3
229.05109	2.2
235.03963	4.5
236.04639	1.7
237.05540	6.9
239.03482	2.3
239.32823	0.5
251.03532	3.5
252.03796	0.6
253.05043	5.9
254.05429	0.8
257.04544	2.4
263.03519	2.9
265.04974	1.8
266.02383	0.6
267.02933	2.2
279.00378	0.8
279.03024	6.5
280.03577	1.1
281.04575	7.5
282.04886	1.0
283.02536	1.1
291.03021	1.0
296.02844	0.6
297.04028	3.5
307.02542	5.4
308.02908	1.5
309.04019	20.8
310.04330	2.6
311.01920	0.6
325.03564	1.7
334.01120	0.8
334.97955	1.2
335.01962	21.0
335.07962	1.4
336.02240	2.2
353.03003	19.8
354.03339	2.2
379.00867	2.3
397.01974	100.0
398.02298	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	397.02
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28631	0.5
59.01379	1.4
64.78818	0.7
69.49982	2.8
69.50395	1.0
71.01374	0.9
89.03955	1.6
91.01860	1.3
91.42090	0.6
105.03474	2.8
109.02931	0.8
119.01366	0.9
126.72975	0.7
133.02948	7.4
134.03764	5.1
135.00882	1.9
137.02426	0.8
139.99141	0.5
147.00894	2.9
149.02440	5.0
149.06036	3.0
152.73404	0.6
153.07065	0.6
160.01666	0.7
161.02388	1.1
165.07182	0.6
167.04959	0.8
169.06493	0.7
175.00337	3.5
175.03928	0.8
176.01123	2.0
177.01930	65.3
178.02400	3.7
179.04950	0.7
181.06564	1.0
183.04500	1.0
189.01976	1.8
193.05006	5.8
193.06572	1.0
195.04596	0.9
197.06061	0.7
202.99834	1.5
207.04498	0.9
209.06091	2.1
211.02251	0.8
211.03954	4.3
212.04472	0.6
213.01990	1.0
214.02736	0.6
216.00645	1.4
217.01372	5.8
219.04565	0.7
223.04073	0.9
224.52657	0.5
225.05606	1.1
227.03474	1.8
229.05029	4.1
235.03946	3.2
237.05551	2.6
239.03458	2.9
251.03535	2.5
252.04187	0.9
253.05043	3.3
255.02991	1.5
257.04529	6.9
258.05023	0.7
263.03464	3.7
265.05063	1.4
266.02094	1.5
267.03009	2.7
269.04477	1.2
279.02960	9.6
280.03476	1.9
281.04407	4.5
282.04819	0.6
283.02533	2.4
291.03168	0.9
297.04016	6.1
297.07257	1.0
307.02484	1.7
309.04068	5.6
310.04572	0.7
311.01874	1.6
325.03430	1.8
335.01965	8.9
353.03024	34.0
354.03311	3.5
379.09857	1.4
392.92615	0.6
397.01984	100.0
398.02322	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	396.0528
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90330	1.6
59.01361	5.4
61.98835	14.3
62.99525	1.9
63.79153	1.6
64.95239	4.9
65.93829	1.6
67.04116	1.6
69.91210	9.9
71.01366	4.5
71.05012	2.7
74.00699	4.4
78.95905	50.0
91.40532	1.6
96.95999	7.0
96.96962	67.8
98.20641	2.4
99.04544	2.2
99.92596	7.0
100.92583	5.7
101.02470	2.2
115.00352	9.4
115.92062	7.4
116.92856	10.3
117.92856	6.4
119.05028	88.8
120.05363	5.7
129.87959	1.9
130.87036	2.0
133.01428	25.4
134.02820	100.0
134.03734	5.5
135.03040	2.7
135.04500	5.9
146.08226	14.9
148.95860	5.1
163.02754	2.5
163.04019	33.3
175.00479	2.1
179.03471	5.4
187.92767	2.6
193.05067	1.9
209.04385	1.9
221.01331	2.3
231.91794	5.1
231.99622	26.9
251.03191	2.0
275.10712	4.5
277.12195	12.0
279.97806	2.7
292.03229	4.8
297.60840	2.1
309.09494	6.9
377.96237	2.1
385.25861	2.0
396.04349	25.5
396.12448	12.5
397.04630	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	394.0697
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	19.4
64.84479	1.4
65.93583	1.4
68.88332	1.5
70.26527	3.3
70.26925	2.2
71.01379	6.4
72.00916	4.4
73.02932	2.2
75.00903	1.6
78.95879	1.7
97.87713	1.5
100.00408	5.9
101.02473	1.9
108.04530	1.4
109.02972	2.7
115.00404	2.6
119.05011	1.9
121.02879	1.6
123.04497	6.1
131.03734	2.7
132.04544	5.1
133.01434	3.4
133.02980	7.6
134.03746	2.8
135.04521	100.0
136.04866	4.7
144.04572	9.6
146.06125	22.3
151.03996	3.6
159.10258	10.1
160.04012	14.8
161.02435	39.2
162.02771	3.2
162.05548	2.4
166.02495	1.4
170.06110	3.4
172.04051	9.6
178.05098	56.3
179.03468	5.2
179.05420	4.4
188.08066	2.1
190.05077	18.5
196.06178	4.5
222.04066	41.7
223.04404	3.2
232.06155	5.6
253.09401	1.8
275.09305	2.9
276.09537	5.9
278.13882	2.8
314.10611	1.5
332.09244	1.8
332.82010	1.6
336.02759	2.0
351.05191	1.6
358.09271	66.4
359.09464	7.7
394.17126	2.8
395.04044	3.7
403.97446	1.5
412.98688	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.9711
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55933	0.4
59.01372	2.6
68.99791	0.4
71.01380	2.5
71.51026	0.5
71.51445	0.5
75.00836	0.5
75.75597	0.4
77.36842	0.4
88.89187	0.4
96.96004	5.2
98.95594	5.6
98.96460	0.8
99.92586	42.8
100.92680	2.4
100.93262	2.3
101.02399	0.5
115.00370	2.0
115.92078	30.5
116.92860	100.0
117.92879	5.4
117.93660	1.0
121.02959	0.7
125.94161	0.6
126.94925	0.7
132.02238	0.5
133.01436	4.3
133.02968	1.3
133.91045	0.5
135.01924	1.1
135.03008	2.0
135.04535	1.8
135.75783	0.5
141.93684	0.6
145.02992	0.5
147.00909	0.5
149.02480	3.2
150.03224	0.5
153.93633	3.9
154.94542	0.6
161.02441	1.6
161.04594	0.5
162.02795	1.0
165.05586	1.0
169.93126	2.0
170.93901	6.6
171.94789	0.8
173.06009	0.8
177.01895	0.6
179.03490	1.0
186.93394	1.1
197.92593	3.7
198.93404	10.9
199.93517	1.0
204.96072	0.9
205.96684	0.5
214.92868	2.7
215.93483	0.5
215.95226	3.5
216.03003	0.5
216.95966	1.5
217.96686	0.5
218.97568	0.9
219.94713	2.7
220.95363	1.4
229.08948	0.5
231.94669	0.6
232.95538	1.4
233.96272	1.9
234.97014	3.0
236.95021	1.4
242.33347	0.4
242.97499	0.5
243.98296	3.7
244.95396	1.2
244.99092	4.9
248.95036	0.6
259.94165	0.8
260.94824	0.8
260.98685	0.9
262.96481	1.8
270.96945	0.9
278.95947	1.8
288.97989	2.4
290.96057	0.7
304.97586	0.7
308.03317	0.5
314.95993	1.0
330.95456	0.6
332.97168	1.6
335.11313	0.5
335.18137	0.6
342.48688	0.5
346.95242	0.7
351.14282	0.6
376.96033	9.6
377.96225	1.1
394.97092	1.2
395.03986	1.1
395.08780	0.5
395.48849	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76121	0.5
59.01385	9.6
61.41897	0.5
61.98823	0.6
63.55301	0.5
71.01383	4.4
71.52223	0.6
72.99305	3.2
73.02956	0.9
74.99110	2.4
75.00873	30.9
76.24188	0.5
78.95904	0.8
85.02949	0.7
87.00887	1.8
89.02452	5.6
93.03496	0.6
96.96962	1.8
101.02442	0.7
106.06625	5.6
107.06990	1.9
109.02902	0.5
113.02473	0.9
115.00387	1.2
117.01933	3.1
121.53674	0.5
130.04356	0.5
133.01427	1.1
134.03674	0.8
135.03001	100.0
136.03337	2.0
136.99126	2.1
137.48247	0.5
146.09761	0.5
150.05615	4.6
151.05930	2.1
159.04536	1.8
164.07082	0.6
172.05289	3.5
173.06047	1.8
174.03194	0.5
174.06831	0.8
175.07643	0.7
183.04535	1.0
187.04048	1.7
187.07632	22.1
188.08002	1.7
192.06702	0.8
194.04622	1.0
197.11893	0.7
198.06903	0.8
199.04076	2.0
200.04807	1.4
201.05557	2.0
201.09183	0.5
202.06363	3.5
203.10719	1.1
211.07706	0.7
213.09215	5.0
215.07150	5.1
216.07616	1.0
227.03461	2.1
228.04192	1.8
229.08693	1.8
231.06615	1.6
231.10226	8.6
232.10591	1.7
238.96271	0.6
257.08185	18.3
258.08563	1.5
275.09265	11.0
276.09656	1.6
277.09814	2.1
349.11984	0.6
356.09991	1.7
357.10248	1.8
380.10275	0.5
393.11783	2.7
393.21225	1.3
394.16553	0.6
400.23077	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.213
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01719	0.8
71.01391	0.9
77.01527	0.6
84.29742	0.6
133.02895	0.7
134.03725	1.6
141.33113	0.6
222.38216	0.7
275.09354	1.1
277.09766	1.2
299.50125	0.6
350.67743	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0117
Annotation	Unknow
Peak:m/z	Relative Intensity
58.20509	0.9
59.01377	5.5
71.01369	6.4
71.51961	1.4
79.95731	1.9
96.96013	100.0
97.93144	2.1
99.92558	3.6
113.92636	1.2
114.93401	3.1
115.00378	17.1
115.92062	3.8
116.92854	16.5
133.01433	69.8
134.01735	1.7
134.03761	1.2
135.04526	13.9
149.02328	1.1
161.02466	3.9
179.03503	17.9
180.03807	1.4
214.93008	1.1
215.28770	1.0
215.95253	1.3
217.33034	1.0
252.84019	1.0
263.83517	1.0
295.04608	3.5
322.41730	1.1
394.08853	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30223	0.8
59.01381	4.8
60.24863	1.0
61.53600	0.8
62.66333	0.9
69.14633	9.2
71.01382	6.6
78.58549	0.8
79.95741	2.1
89.02435	1.5
96.96014	100.0
97.93160	0.8
99.92593	4.9
113.92645	1.5
114.93394	2.4
115.00373	14.3
115.92071	3.5
116.92089	1.5
116.92867	17.8
118.29207	0.8
122.11865	0.9
123.04510	0.9
133.01434	66.4
134.01773	1.3
134.03702	1.7
135.04529	15.2
136.04861	1.1
161.02484	1.8
177.90785	0.9
179.03500	16.7
215.95168	1.3
295.04547	2.6
320.17242	0.9
345.07324	1.1
349.12817	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2853
Annotation	Allochenodeoxycholate
Peak:m/z	Relative Intensity
52.87756	0.6
55.55135	0.5
56.05707	0.5
59.01377	9.9
61.22050	0.6
68.18342	0.5
78.95898	1.4
81.59437	0.6
101.02435	0.6
137.17464	0.7
151.52988	0.5
152.99577	3.1
200.89244	0.6
229.08524	0.7
232.49207	0.6
252.45219	0.7
255.23277	12.9
256.23636	1.7
266.98444	0.6
295.76556	0.6
303.93668	0.8
312.09857	0.6
323.12277	0.7
326.67361	0.7
329.28479	36.9
330.28787	5.6
347.29514	17.9
348.29776	3.0
373.27469	1.9
383.84830	0.6
384.59091	0.6
391.28510	100.0
392.23703	0.9
392.28827	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	392.1495
Annotation	Lucidamine A
Peak:m/z	Relative Intensity
58.02978	14.8
59.01388	23.0
70.61349	7.2
71.01405	11.7
72.00895	2.6
74.02471	27.5
78.45137	2.4
82.02995	6.1
86.02475	14.2
87.05644	5.0
89.02419	4.1
92.06355	2.4
96.96011	35.1
97.04127	2.5
99.05644	25.8
101.07211	6.4
102.05617	6.2
109.04056	4.6
111.05642	2.9
112.04023	3.3
115.00373	9.9
116.92849	4.7
119.05360	20.2
125.03553	3.9
127.05145	5.6
128.03540	70.9
133.01436	36.4
134.03740	3.7
135.04527	13.2
135.05646	7.2
141.06650	4.4
143.04623	100.0
144.04988	4.2
145.06201	2.8
146.04568	11.6
153.06728	6.3
166.09888	4.7
167.04610	4.8
167.08261	6.2
171.06638	4.8
179.03409	5.3
179.04646	20.9
185.05739	3.7
193.05017	5.2
197.05589	6.7
210.08832	19.4
228.09853	3.3
234.98763	2.4
254.07806	49.4
263.10678	7.7
269.07697	2.4
272.06161	4.6
272.08899	50.1
374.13770	15.3
392.14990	69.5
393.15198	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	391.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53169	1.6
57.03451	14.5
59.00393	2.0
59.01113	2.4
59.01383	38.5
61.98825	4.7
64.22876	1.5
71.01373	5.3
71.51356	2.7
80.96503	1.9
81.03433	2.4
83.05033	13.9
86.77981	2.0
89.02460	3.1
91.04009	8.7
93.07079	3.3
94.76980	1.5
96.96026	2.3
97.06576	6.1
97.80869	1.9
107.08661	3.8
109.06588	6.4
113.09730	74.0
114.10059	2.1
121.10204	4.6
135.08151	3.3
139.11302	28.5
147.11804	6.1
159.08162	1.7
159.11758	1.8
165.12822	9.7
185.09685	5.8
189.12825	1.9
203.10809	2.3
215.14372	6.9
219.13847	4.6
222.10686	2.1
273.22208	26.5
274.22482	2.4
275.09277	3.2
299.20123	18.4
317.21194	100.0
318.21585	13.1
391.25119	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.5
55.86251	0.5
57.03452	1.2
58.00588	0.5
59.01380	100.0
60.01726	1.1
61.98821	1.5
69.03468	0.8
71.01381	21.6
71.52057	0.4
71.56554	0.6
72.99316	1.1
73.02943	11.5
75.00869	0.9
83.01383	3.5
85.02963	4.7
87.00900	1.5
87.04526	0.8
89.02449	9.4
89.02943	0.8
95.01412	1.8
96.96029	0.7
97.06583	0.5
99.00892	1.1
101.02451	13.8
109.02990	0.9
111.25022	0.4
113.02456	10.7
113.06133	0.5
115.00399	1.4
119.03522	4.3
125.02477	1.1
131.03488	0.6
133.01482	2.0
135.03018	0.6
135.04515	2.6
141.74751	0.4
143.03574	1.1
149.02458	0.7
149.04625	0.5
150.03270	2.1
161.04544	5.5
163.04099	1.4
165.05582	0.7
168.48431	0.5
169.08788	0.9
179.03549	0.6
179.05579	0.9
183.04504	0.7
185.11925	0.6
187.13387	7.2
193.05069	0.6
195.06558	0.6
213.09109	0.5
231.10321	0.6
285.07919	1.0
329.06796	1.2
331.17645	5.3
343.11963	1.8
349.18643	11.0
350.19293	1.1
391.11566	0.6
391.16061	1.4
391.19986	1.5
393.56973	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57289	0.4
53.30201	0.4
57.03439	0.4
59.01382	100.0
60.01718	1.4
61.98835	0.8
68.70282	0.5
69.58826	3.3
71.01382	11.6
72.99300	0.7
73.02962	2.2
75.00879	0.8
80.96545	0.6
83.01415	1.2
83.05051	0.6
85.02972	2.0
88.78950	0.5
89.02448	4.4
93.03458	0.5
96.96007	0.5
99.00850	0.8
101.02441	4.0
109.03016	0.7
112.53533	0.5
113.02427	3.4
115.00364	4.6
119.03527	2.0
119.11125	0.5
121.02983	2.1
122.03796	0.5
123.04518	0.8
133.01439	4.0
133.02982	0.9
134.03773	0.7
135.03043	1.6
135.04570	1.4
136.05341	3.0
137.06047	0.7
146.03815	1.0
147.04565	1.1
149.02454	3.7
149.06120	1.0
150.03226	10.0
151.04045	3.2
158.03705	2.7
159.04532	4.2
161.02493	0.7
161.04581	3.9
161.05826	0.7
164.04839	1.3
165.05571	6.4
172.05394	0.6
173.06122	3.3
174.06845	1.2
175.07654	0.8
179.03461	0.6
179.05659	0.7
181.05121	0.9
187.04099	1.5
187.07640	11.0
188.08218	0.7
195.06598	8.0
196.07050	0.5
201.05533	0.8
202.06421	3.0
203.10820	2.6
215.07193	1.4
229.08876	0.8
231.10320	4.4
255.06619	1.2
275.09262	32.3
276.09537	3.0
283.09921	1.4
293.28683	0.5
317.10358	1.4
329.10483	1.2
331.17725	2.2
343.11865	13.6
343.15820	0.8
344.12244	1.4
347.11688	0.6
348.09113	0.7
391.14072	2.1
391.19873	3.2
401.21570	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13049	0.7
53.42028	0.6
55.01871	1.2
57.03455	1.0
57.31096	0.7
59.01379	100.0
60.01715	1.3
61.98834	2.0
69.03471	0.8
70.86733	2.0
71.01381	20.4
72.99316	1.2
73.02947	9.5
75.00887	0.6
75.91274	0.6
80.96513	0.7
83.01405	2.3
85.02937	4.1
87.00864	1.5
89.02452	11.6
93.03463	1.6
95.01411	0.8
99.00882	1.2
101.02444	13.9
103.47289	0.8
108.02183	1.2
109.02946	1.3
113.02451	7.3
115.00400	3.2
119.03522	5.6
119.04986	1.0
121.02969	7.8
121.06600	1.0
122.03742	4.5
123.04525	4.1
124.01640	1.1
125.02486	0.8
131.03508	0.9
132.02205	1.6
133.01466	5.0
133.02992	2.8
134.03764	4.0
135.03009	2.9
135.04532	7.6
136.05307	13.4
137.02504	1.2
137.06084	3.0
143.03516	2.1
147.04553	1.4
148.01653	0.9
149.02449	17.2
149.04428	0.8
149.06113	2.1
150.03229	53.1
151.04024	11.5
151.07620	1.6
159.04466	1.2
161.02484	1.6
161.04628	3.6
161.05734	0.6
163.04033	3.1
164.04813	5.0
165.05571	28.9
166.05913	1.2
179.05670	2.2
180.04298	2.0
181.05083	4.6
183.04614	1.0
187.07666	2.5
187.13356	4.4
192.03012	0.8
193.05141	2.2
194.05640	0.8
195.06635	32.9
196.07054	1.8
213.09216	1.2
229.10835	0.8
231.10237	0.7
241.08740	0.8
269.08246	2.1
275.09222	4.2
283.09821	4.3
284.10638	1.3
285.07834	2.0
299.09274	1.1
311.09216	6.0
316.09589	1.2
329.06793	2.1
331.17673	3.1
343.11856	66.4
344.12195	7.2
347.11722	0.9
349.18600	9.7
355.11835	1.1
391.14142	8.0
391.19763	3.3
392.14615	1.1
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
54.18516	0.4
55.01895	0.5
55.82272	0.5
57.03444	1.3
58.00593	1.0
59.01380	100.0
60.01724	1.0
69.03468	0.6
71.00733	1.2
71.01385	18.3
72.99319	0.8
73.02946	10.5
75.00874	0.6
81.03483	0.6
83.01370	3.0
85.02950	5.6
87.00896	1.0
87.04536	0.9
89.02443	9.1
95.01398	1.6
99.00899	1.0
101.02445	13.7
113.02451	9.7
115.00390	0.4
116.29307	0.5
119.03511	2.9
125.02453	0.8
131.03522	1.1
133.01413	0.6
134.03882	0.4
143.03445	0.5
148.76430	0.4
149.04568	0.6
150.03281	0.8
161.04556	4.7
179.05684	0.9
185.11908	0.5
187.13406	6.6
318.98209	0.5
331.17706	3.7
331.82489	0.5
349.18643	6.9
350.19269	0.7
369.95804	0.5
391.20117	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15950	0.8
58.62509	0.6
59.01381	20.0
60.01711	0.7
61.98797	0.9
70.64192	1.4
70.64583	1.5
71.01380	4.1
72.74328	0.9
73.02936	1.1
75.00869	1.6
81.32934	0.7
85.02938	1.0
89.02433	1.2
93.03458	2.6
96.96005	1.7
100.25307	0.7
101.02420	2.0
101.44777	0.7
108.02159	1.7
109.02925	1.0
113.02426	1.1
115.00346	1.9
119.05044	1.3
121.02958	13.2
121.06570	0.9
122.03772	8.4
123.04559	6.5
127.69400	0.8
132.02220	1.5
133.01404	2.1
133.02979	4.8
134.03732	3.3
135.02988	4.4
135.04527	8.2
136.01654	1.0
136.05305	22.8
137.02391	0.9
137.06160	4.3
138.02812	0.8
147.04538	1.0
148.01675	0.9
149.02446	26.8
149.06090	2.9
150.03232	78.3
150.15422	0.8
151.04027	17.3
151.07646	2.1
159.04433	1.1
161.02522	1.4
161.04518	0.8
163.04008	3.7
164.04779	7.5
165.05568	46.5
165.23122	0.8
166.05856	1.9
173.05937	0.9
180.04222	3.0
181.05057	7.7
182.05211	0.8
183.04553	1.6
187.07611	1.2
193.05031	2.0
194.05782	1.1
195.06627	55.2
196.06970	3.8
202.06155	0.9
209.08087	0.8
215.07086	0.9
225.05554	1.5
231.10335	1.4
241.08675	1.3
269.08273	2.5
275.09265	3.1
283.09686	7.7
284.10434	1.6
285.07700	3.5
299.09167	2.0
300.10065	0.9
311.09286	8.6
316.09589	1.0
325.10828	1.0
329.06644	2.9
343.11853	100.0
344.12189	11.8
391.14105	15.3
391.19531	2.0
392.14182	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	391.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05856	1.3
58.19366	1.6
59.01374	1.4
69.32858	6.2
69.33293	5.6
71.01006	3.1
71.01381	36.9
83.66325	1.5
88.28490	1.7
97.06589	6.0
98.20628	2.3
105.03461	4.3
115.00380	19.8
121.02962	1.8
133.01453	3.0
133.02963	42.5
134.03746	100.0
135.04460	5.1
137.02443	18.2
139.04015	5.6
150.03302	2.1
161.02367	2.6
173.06026	1.8
177.01935	29.2
178.02718	55.4
187.07645	6.7
215.77684	1.5
231.06627	1.7
231.10262	12.0
275.09250	93.9
276.09525	7.7
347.14963	2.4
391.17325	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	391.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39049	0.9
57.89475	0.9
58.99606	3.7
59.01377	31.8
61.71267	0.9
71.01385	15.2
72.01690	0.9
73.02948	2.2
75.00837	1.4
76.73943	1.0
79.83837	0.9
80.83191	1.0
81.73022	0.9
82.03025	1.3
83.01379	1.1
83.05032	2.7
85.02927	2.0
89.02457	2.1
93.03467	1.6
98.02452	3.2
101.02411	2.1
108.02220	2.0
113.02436	1.5
115.00364	6.2
119.03455	1.2
119.05036	1.4
121.02946	12.3
121.06584	1.9
122.03725	7.6
123.04566	5.1
124.01701	1.5
124.04010	2.1
132.02147	2.2
133.01437	5.3
133.02924	3.9
134.03723	3.9
135.03032	1.6
135.04547	6.2
136.05293	23.6
137.02461	1.4
137.06062	4.0
145.03003	1.1
146.03755	2.0
147.04579	1.8
149.02435	26.1
149.06071	3.7
150.03224	84.3
151.04016	18.7
151.07632	2.7
152.03375	1.9
158.03731	4.1
159.04494	9.8
162.03223	1.1
163.04001	1.5
164.04790	9.3
165.05562	47.6
165.87282	0.9
166.05931	2.0
168.02971	2.2
170.04585	1.8
173.06035	5.1
174.03310	1.2
174.06810	1.4
175.03969	1.0
175.07611	2.1
175.83803	1.0
179.98792	1.4
180.04292	3.0
181.05043	7.2
182.53773	0.9
187.04007	2.8
187.07616	20.8
188.08116	1.3
195.06622	52.8
196.02516	9.1
196.06909	3.2
201.05519	1.7
202.06310	4.4
203.10738	4.4
213.09206	2.0
214.03554	4.2
215.07063	2.9
229.08560	1.3
231.10178	8.2
233.97478	1.1
241.08746	1.4
255.06644	1.4
269.08017	2.1
275.09229	64.5
276.09592	5.6
283.09631	7.5
284.10336	2.6
299.09381	1.2
311.09204	8.9
316.09357	1.3
317.10449	2.3
329.10300	3.2
331.17853	2.0
343.11844	100.0
344.12210	12.5
389.07956	0.9
391.13815	15.6
391.19608	5.8
392.14142	3.0
394.49951	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1033
Annotation	Chemomicin A
Peak:m/z	Relative Intensity
59.01353	0.5
61.92519	0.5
65.27335	0.6
66.05517	0.6
69.89211	2.7
71.01383	17.6
72.99310	3.6
87.00883	1.8
89.02451	2.1
102.05700	0.5
102.64134	0.6
115.00373	48.1
116.00745	1.2
116.51996	0.6
133.01428	100.0
134.01773	2.0
142.72401	0.5
149.06133	0.6
150.20947	0.6
159.04478	1.8
159.08746	0.5
172.05324	3.6
172.56117	0.6
173.06013	2.4
184.05247	0.7
187.04008	2.2
187.07642	27.7
188.08051	1.3
201.05525	1.7
202.06374	6.4
203.06969	0.7
213.09177	5.6
215.07170	2.1
231.10245	19.5
232.10565	1.6
257.08197	1.6
274.26700	0.6
275.09250	14.7
276.09595	1.9
303.59232	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47978	6.6
59.01376	100.0
69.69716	35.0
69.70121	11.9
75.76734	7.2
81.42759	7.5
98.20686	8.7
104.27624	8.4
110.53396	8.9
152.92056	6.7
224.85493	7.4
248.19788	8.6
279.04340	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	390.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00817	1.6
58.02971	13.4
59.01383	22.7
61.98785	2.5
69.92110	4.9
69.92516	3.3
71.01357	3.3
71.35570	1.8
71.84306	1.7
74.02476	27.1
79.69850	1.9
79.95715	2.0
81.04563	3.2
82.02976	4.2
86.02480	10.9
87.05638	6.7
90.00194	1.7
96.95997	2.8
97.04047	3.9
98.20381	4.8
99.05647	26.2
101.02459	2.2
101.07195	3.2
102.05616	3.2
103.92014	3.3
109.04066	2.9
112.04051	2.8
119.05045	2.1
122.43002	1.6
125.03551	2.3
127.05122	5.5
128.03540	62.0
129.03868	1.8
131.04666	1.7
133.01476	1.6
134.03734	2.2
135.04562	3.2
135.05661	5.7
141.06683	5.7
143.04620	90.7
144.04945	2.8
144.94281	1.6
145.06209	3.9
146.04568	6.8
153.06660	6.0
160.00739	19.1
163.04031	2.7
163.60645	2.0
166.09781	4.0
167.04591	6.2
167.08250	3.6
168.88808	2.2
177.03400	9.8
178.83414	1.7
179.04616	16.8
181.06241	2.4
184.10959	2.2
185.05707	2.7
193.04880	3.9
197.05727	4.5
210.08853	15.8
250.45308	2.0
254.07834	25.2
272.08868	35.5
288.06549	12.9
306.07635	100.0
307.07825	6.3
390.13333	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	391.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.7
69.29132	3.9
69.29549	1.7
71.01008	1.0
71.01385	15.8
72.99297	2.2
87.00890	2.0
89.02438	1.8
90.92802	0.6
93.03443	3.7
106.41093	0.6
115.00370	44.1
116.00731	1.1
133.01430	100.0
134.01785	2.1
134.03740	4.4
137.02444	3.7
158.03763	0.7
159.04515	1.8
172.05304	1.8
173.06007	2.0
174.06882	0.8
175.03975	0.9
178.02704	1.0
178.35947	0.6
187.03995	1.1
187.07642	19.7
188.08017	1.6
193.05051	4.4
196.02463	0.6
201.05548	1.9
202.06369	6.0
203.10818	0.9
213.09232	3.8
214.03447	0.7
215.07158	3.4
225.09303	0.8
229.08678	0.8
231.07956	1.1
231.10243	18.7
232.10666	1.3
257.08185	1.3
275.09247	18.5
276.09619	1.4
295.39676	0.7
391.27057	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12254	18.3
59.01365	73.2
69.03416	26.8
71.01366	36.6
71.51191	17.8
71.51616	32.0
78.95905	24.5
79.95729	22.6
80.96511	100.0
90.08157	18.4
121.38663	21.1
139.50125	19.6
162.60880	20.2
169.19164	16.7
172.37593	20.6
197.11787	66.4
237.22156	20.9
245.31519	20.8
255.23227	63.6
259.07672	21.7
279.44690	20.1
299.04401	29.3
307.93781	18.9
389.18985	58.6
389.69058	36.1
390.19678	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35838	20.8
55.55960	20.2
57.25518	18.7
59.01363	64.4
77.04039	20.0
80.69550	19.3
80.96533	100.0
129.06302	21.5
129.40013	25.0
151.34673	21.4
180.11169	20.7
197.11745	40.5
198.62534	22.5
222.18069	18.6
255.23352	31.3
299.04507	31.2
338.91385	20.5
380.17416	25.0
389.19003	52.7
389.69177	23.8
410.48245	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	389.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75711	0.7
54.92146	0.8
56.46154	0.9
59.01106	1.3
59.01381	16.3
69.74342	2.5
69.74749	1.5
71.01386	7.4
73.02934	1.5
82.78789	0.7
83.01379	1.4
83.62630	1.0
85.02950	1.9
89.02425	2.9
101.02427	3.9
109.02956	2.5
113.02439	2.2
115.00365	1.6
116.92868	1.3
119.03479	1.1
133.01407	2.7
134.03734	2.5
135.04477	1.4
137.02473	1.1
149.02434	1.5
150.03192	1.4
161.02428	1.3
165.05556	3.2
179.03462	1.4
183.08139	2.8
184.05267	2.9
185.06023	1.8
185.08232	1.1
187.03952	3.6
193.05087	2.9
195.06625	0.9
195.08253	1.0
199.03973	0.9
199.07616	1.0
200.04768	1.1
210.06764	1.9
211.07632	26.0
212.04774	0.9
212.08360	9.0
213.05545	2.8
214.06253	1.0
215.03488	1.2
220.81108	0.8
226.06264	1.4
227.07158	7.9
227.12859	2.8
228.04204	1.5
228.07826	3.3
229.08636	2.3
239.07091	1.7
242.05794	1.9
243.06563	1.3
243.10158	1.3
244.03807	1.2
245.04527	2.1
246.75092	0.8
255.06613	80.4
256.07297	15.9
257.07925	1.2
270.05356	1.5
271.06042	3.4
271.09741	4.6
273.07642	3.3
288.06372	2.4
315.08734	100.0
316.09042	8.2
329.15955	0.8
345.09778	4.0
347.17102	2.8
389.03638	1.2
389.08765	2.1
389.18140	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	388.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51853	0.5
59.01375	4.0
59.60395	0.4
61.98832	100.0
62.98516	0.5
71.01383	0.7
77.18935	0.4
80.16604	0.4
82.29633	0.5
92.99959	0.4
233.20755	0.5
255.23198	0.8
264.10013	0.4
269.93408	0.5
388.21146	4.1
389.19226	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.0515
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83789	1.1
59.01376	17.4
61.98811	1.4
67.17046	1.3
69.17303	9.4
69.17710	3.9
71.01387	23.5
72.99302	3.0
73.02931	2.6
77.07419	1.2
79.01740	1.4
79.95718	1.8
89.02438	3.4
96.96001	9.6
101.02464	2.4
105.03442	4.2
107.01447	1.5
109.02943	5.4
115.00375	29.0
116.00740	1.4
121.02931	4.1
122.01814	1.4
123.04501	2.2
124.01656	6.9
124.42133	1.4
133.00475	2.8
133.01434	50.3
133.02960	3.8
134.03741	8.4
135.00850	1.7
135.04495	4.8
137.02425	2.5
139.03986	2.9
141.07089	2.4
146.03735	1.3
148.01614	2.4
149.02425	16.2
149.06097	2.5
150.03210	10.7
151.03975	3.0
161.02435	4.0
163.46027	1.3
165.05554	11.4
165.97659	1.4
167.03523	6.8
167.04762	1.8
171.04521	4.6
172.05296	11.5
173.06070	10.2
174.03137	2.1
176.01010	1.5
177.01927	11.7
178.02689	2.6
179.03453	3.6
180.04166	1.7
181.05186	2.8
185.06030	6.1
187.03986	3.3
191.03404	1.7
193.05031	10.4
195.04619	2.0
195.06633	3.9
196.05211	2.0
197.06114	2.4
199.03983	3.4
200.04753	3.6
203.03511	1.6
204.04283	3.3
209.04517	5.2
210.38087	1.4
211.03922	4.1
211.07654	4.9
213.05600	9.2
215.03395	3.5
216.04175	3.0
217.04936	1.6
227.03531	2.7
229.05075	3.0
229.08694	32.9
230.08791	1.8
239.03552	2.1
240.04250	4.7
241.05067	12.2
243.02991	10.2
244.03667	3.1
247.09775	3.3
248.03081	2.1
255.06604	1.8
257.04529	5.5
257.12732	1.4
267.02945	8.6
268.03580	2.2
268.78317	1.5
269.04474	6.3
271.06134	2.2
273.07669	100.0
274.08063	8.6
285.04095	18.7
289.07239	3.7
299.05573	3.6
313.03473	2.3
316.05890	2.9
317.06644	34.7
318.06946	3.7
327.05167	2.1
329.49258	1.5
341.10165	4.8
345.06107	48.6
345.09891	2.6
346.06381	4.2
369.20404	1.4
389.11243	4.4
389.17740	5.6
390.17322	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17054	7.5
57.34236	7.3
59.01374	100.0
67.69813	7.5
70.81692	7.0
71.18633	8.0
71.52565	8.7
72.26404	8.2
80.47572	8.0
174.47496	8.4
215.06972	8.2
354.01718	10.1
357.12939	8.2
387.28882	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	13.8
61.98832	100.0
70.99577	3.7
70.99901	4.6
71.01384	2.7
72.42671	2.3
85.02955	2.9
90.75753	2.4
97.02929	3.6
101.02444	4.8
110.02119	2.6
123.22498	2.2
127.87054	2.5
131.05357	2.8
133.02946	9.3
134.03693	6.7
137.02362	3.2
153.05571	3.5
172.05267	4.3
177.01918	5.4
178.02725	8.9
187.07570	6.4
191.22444	2.5
211.13385	4.1
213.11455	2.9
223.27188	2.6
229.08492	3.8
247.09674	2.8
262.65613	2.4
279.92227	2.2
315.14597	5.3
389.16141	3.5
389.26987	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18192	0.4
52.96637	0.4
56.97357	0.4
57.03440	2.3
58.00579	0.9
59.01379	4.1
61.98826	0.7
67.53106	0.4
69.03456	0.8
70.66734	1.1
71.01382	4.0
71.05015	0.5
72.02165	1.0
73.02552	0.9
73.02943	11.7
73.03352	0.7
83.05030	0.6
85.02953	0.7
87.04516	0.8
93.07107	0.6
95.04984	0.8
97.06616	2.4
101.02442	1.3
101.06090	0.5
103.95559	0.4
107.04977	0.5
109.06625	0.8
111.08170	1.2
113.02473	0.7
113.09710	6.9
118.98065	0.5
123.08161	7.3
125.09728	7.4
125.69522	0.4
127.11288	0.6
135.08075	0.5
137.09717	1.8
139.11292	1.6
141.09195	0.8
141.12912	0.8
143.10756	2.0
149.09676	1.3
151.11301	1.1
153.09218	5.3
155.10794	2.7
157.12320	0.7
159.72575	0.5
163.11276	0.8
165.09193	0.8
167.10791	4.3
168.11133	0.5
169.12357	1.2
181.12375	2.5
185.11826	0.5
187.13397	6.6
215.12737	0.7
216.13652	5.4
217.14430	2.4
225.05283	0.6
225.11305	4.3
226.11703	0.5
245.08049	0.8
251.20082	0.5
275.20001	0.5
343.24811	3.9
343.87848	0.5
344.25272	0.6
357.22601	1.3
387.23871	100.0
388.24216	12.2
394.53519	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.2
59.01381	4.1
61.98834	0.7
69.03442	0.7
70.92294	0.8
71.01379	4.6
71.05016	0.7
72.50737	0.4
73.02939	0.8
75.18296	0.4
83.04988	0.5
85.02934	0.5
87.00881	0.5
87.04520	1.0
89.02451	0.8
93.07094	1.8
95.05019	1.5
97.06589	5.4
97.10757	0.4
101.02446	1.0
109.06617	0.6
111.08133	1.8
113.02410	0.5
113.09730	1.0
118.98064	0.5
123.08159	10.0
135.04572	0.9
137.02486	0.7
139.07625	0.8
139.11314	2.2
141.09203	2.5
141.12857	1.6
149.09671	0.6
151.07651	0.7
151.11266	1.5
151.53590	0.5
151.67860	0.4
152.08408	1.7
153.09184	1.4
159.05626	0.4
163.11293	1.4
167.10771	2.2
169.12358	1.7
170.09471	1.2
173.06073	1.3
181.12352	3.4
188.04828	0.7
192.04207	0.5
203.07050	0.4
204.32468	0.5
216.04390	0.5
225.11247	2.8
227.07147	0.7
228.13669	0.8
245.08147	1.7
263.20090	0.8
271.12991	0.6
275.19928	1.0
305.21017	0.9
315.04858	0.4
321.32419	0.4
357.22803	4.3
358.23291	0.6
387.14502	3.4
387.23868	100.0
388.24185	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	387.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.3
58.00612	0.3
59.01377	4.3
66.93308	0.3
69.03453	1.0
71.01382	2.1
71.05012	1.2
71.51973	0.4
73.02942	1.2
83.01369	0.4
85.02953	0.3
87.00877	0.3
87.04517	1.1
89.02440	0.4
93.07111	2.3
95.05027	1.4
97.06588	6.1
98.06905	0.4
99.04509	1.2
99.08171	0.5
101.02439	0.9
103.06818	0.3
109.06562	0.6
111.04545	0.4
111.08160	1.5
113.02430	0.7
113.09747	1.9
120.91053	0.3
121.10179	0.4
123.08165	9.6
124.08511	0.4
125.09731	0.5
135.04515	1.2
135.08174	0.6
137.09712	0.5
138.06827	0.3
139.07655	0.8
139.11307	2.2
141.09203	2.1
141.12868	1.7
149.09734	0.6
151.07658	0.5
151.11298	2.0
152.08429	1.2
153.09209	2.4
153.27052	0.3
155.10780	0.4
156.56586	0.3
163.11293	0.8
167.10759	2.8
169.12320	1.9
170.09453	1.0
179.10756	1.9
181.12335	1.3
185.06184	0.4
193.12357	0.4
199.13409	0.4
225.11162	0.5
228.13684	1.4
245.08260	0.3
262.88153	0.3
263.20117	1.3
263.78531	0.3
264.20486	0.3
275.20142	1.2
287.19998	0.5
293.21341	0.3
305.21234	0.9
357.22754	4.4
358.23212	0.6
387.23859	100.0
388.24213	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	387.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71360	22.1
59.01366	58.9
63.32233	24.9
69.35706	100.0
69.36122	96.6
85.02905	25.9
98.20633	49.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
61.98855	33.3
90.04736	33.6
90.36681	30.4
95.30824	30.9
98.19843	75.6
98.58975	34.2
204.09142	35.6
228.95461	30.8
387.05685	36.8
387.25278	46.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2026
Annotation	Sedumoside I
Peak:m/z	Relative Intensity
55.01879	6.3
57.03446	5.0
58.00592	2.7
58.02983	4.4
59.01381	66.8
61.98820	0.9
66.88527	0.7
68.99829	0.7
70.89536	1.3
71.01382	100.0
72.01739	1.7
72.99313	3.7
73.02945	23.1
74.02477	2.3
75.00880	1.5
75.74482	0.5
81.14019	0.7
83.01384	11.2
83.01830	1.0
85.02952	37.8
86.00090	0.8
87.00869	4.6
88.11420	0.6
89.02445	42.2
90.02779	1.0
95.01390	7.5
97.02951	1.3
97.18912	0.7
99.00881	10.8
99.05645	4.9
100.00378	1.0
101.02444	67.1
102.02802	1.5
105.39445	0.6
111.00896	0.8
113.02452	40.6
116.01783	1.1
119.03510	16.3
125.02446	2.0
129.01920	1.9
131.03532	1.9
133.04451	1.7
135.11839	1.5
143.03508	4.8
143.04634	20.5
149.04532	1.5
159.02997	8.9
161.04555	35.8
162.04929	1.5
163.11275	1.5
173.09697	0.8
174.03291	0.8
177.03386	2.0
177.12921	0.9
179.05608	3.2
181.12381	2.0
189.12823	5.4
207.13911	4.9
209.11832	1.7
225.14961	4.0
243.10669	2.3
255.86873	0.6
267.82526	0.7
314.04410	1.0
336.10809	0.6
343.08337	0.9
369.18930	0.7
387.07724	0.9
387.15872	16.3
387.20358	18.6
388.16061	2.3
388.20654	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	387.2025
Annotation	Sedumoside I
Peak:m/z	Relative Intensity
55.01877	5.7
57.03452	4.4
58.00592	2.5
59.01379	56.7
60.01711	0.8
61.64956	0.4
67.01885	0.5
68.99818	0.7
69.03458	0.7
69.15588	4.2
71.01381	100.0
72.01714	2.1
72.05759	0.3
72.99300	3.8
73.02946	26.0
74.03304	0.5
75.00877	1.5
79.64149	0.4
81.03474	0.4
83.01384	12.0
84.01729	0.4
84.02189	0.7
85.02951	39.6
86.00110	0.7
87.00877	4.2
89.02445	31.8
94.99040	0.3
95.01389	7.2
97.02924	1.8
99.00885	10.3
99.01531	0.6
99.04502	1.1
101.02443	68.4
102.02783	1.6
111.00918	0.4
113.02451	38.1
114.02795	1.1
119.02655	0.8
119.03499	14.3
121.97900	0.4
122.98618	0.4
125.02468	1.9
129.01985	2.0
131.03508	1.7
135.04555	0.4
141.78658	0.4
143.03503	4.9
149.04536	0.9
151.11243	0.8
159.02994	8.2
161.04561	38.4
162.04897	1.3
163.11259	1.3
177.12830	0.5
179.05669	2.3
181.12354	1.9
189.12810	1.3
205.03593	0.4
207.13904	3.4
225.14955	4.5
271.06253	0.5
273.02069	0.4
296.19980	0.4
311.05981	0.5
325.07144	0.9
343.08188	1.2
343.17630	0.5
387.07001	0.8
387.20267	18.7
388.20621	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83209	0.8
57.03440	2.6
59.01379	22.9
61.98819	1.5
67.56007	0.9
69.03458	1.0
71.01386	9.9
71.52888	1.2
72.01698	0.7
73.02940	2.9
79.34789	0.7
83.05029	1.1
85.02938	2.3
89.02453	1.5
96.27718	0.7
97.06568	1.5
101.02427	3.3
107.08666	2.0
113.02483	1.1
113.09722	1.1
115.00363	2.3
121.02919	0.9
125.09725	1.7
131.03493	0.8
133.01430	3.6
133.10202	0.9
135.04524	0.9
135.11832	7.7
141.09180	1.0
152.35617	0.8
161.04634	0.9
161.09671	1.6
163.06158	6.4
167.10687	1.0
173.05994	1.5
177.09088	1.0
179.10771	100.0
180.11115	7.2
181.07172	3.4
181.12389	3.7
183.10347	0.9
188.04715	1.5
203.12761	0.8
212.04808	0.9
216.04231	0.9
217.05196	0.9
223.09718	6.5
225.11282	6.0
227.07138	6.7
245.08115	2.3
246.08731	1.3
271.06052	3.2
312.06671	0.9
325.14142	1.1
343.15363	1.6
387.07126	0.9
387.16864	7.5
387.23911	22.1
388.24207	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	387.1593
Annotation	Kanzonol E
Peak:m/z	Relative Intensity
51.92766	1.0
55.01868	5.3
55.06582	1.0
55.62999	1.0
56.16263	1.0
56.71576	1.0
57.03450	6.5
58.00590	3.7
58.02980	17.2
59.01377	93.0
62.11140	1.0
71.01381	100.0
72.01724	1.6
72.99303	4.3
73.02950	19.6
74.00679	1.9
74.02462	11.1
83.01379	10.2
85.02950	37.3
87.00866	6.0
89.02445	66.6
90.02792	1.3
95.01384	4.9
97.02940	1.9
97.04094	1.8
98.19817	2.0
99.00897	7.4
99.04567	1.0
99.05647	19.8
100.00412	5.0
101.02438	62.4
102.02785	1.4
113.02454	42.9
114.02782	1.5
116.01771	3.9
119.03503	27.9
125.02484	1.6
129.01906	1.4
131.03540	2.5
131.04614	1.5
133.04431	6.5
135.04549	1.8
135.11804	5.3
143.03574	5.0
143.04614	94.9
144.04953	3.9
147.11775	2.9
149.49316	1.0
159.02966	5.1
161.04567	30.3
163.11133	1.8
173.09666	2.5
177.02002	1.8
177.03371	9.5
179.05618	3.8
181.12375	2.7
189.12842	15.0
191.10748	1.5
193.03830	1.3
207.13936	7.1
209.11809	9.5
210.12334	1.1
225.09534	1.9
225.15042	2.0
227.07008	1.1
229.39644	1.3
243.10580	10.4
299.09399	1.2
301.69553	1.2
381.85733	1.2
387.15939	90.0
387.20285	10.5
388.16339	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	387.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62039	2.6
56.65201	2.9
58.02975	10.8
58.87366	3.3
59.01391	16.8
61.98809	3.1
63.01856	3.0
67.58748	2.7
71.01373	33.2
71.51865	5.8
73.02949	5.3
74.02490	23.3
82.02951	4.6
83.01399	3.9
85.02950	4.8
87.05634	10.9
88.76614	3.3
89.02456	5.4
95.01368	3.5
96.04546	10.4
97.04074	10.6
98.02473	6.3
98.49226	2.9
99.05634	15.8
101.02441	10.1
108.04546	11.7
112.04021	16.2
112.07700	15.2
113.02413	4.6
113.03571	7.7
122.06127	4.1
123.04533	3.8
124.04050	7.8
125.03537	5.3
125.04779	7.1
127.05147	13.3
135.04521	3.5
137.07211	5.3
140.07153	15.2
143.04686	3.6
145.06653	3.0
152.03561	7.7
155.08282	28.4
158.03712	7.6
159.04497	5.3
160.00621	3.6
160.05254	3.0
161.06017	4.8
165.06696	21.6
173.06094	39.3
174.06856	19.9
183.07756	46.4
187.07658	4.1
188.82808	3.2
189.05650	4.8
199.03976	5.4
216.04272	5.2
217.05048	12.3
218.05843	5.3
225.05118	4.1
227.06702	100.0
228.07362	4.2
245.08170	11.7
246.08827	5.6
261.05478	78.3
262.05753	4.3
268.04184	3.1
275.09430	3.6
290.07983	5.1
306.02499	2.5
314.14191	3.0
335.67340	3.5
342.13373	3.6
343.15485	9.6
387.14484	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86337	0.9
57.03434	1.5
59.01375	26.8
61.98816	1.0
71.01379	11.6
73.02940	4.7
81.03424	1.2
83.01386	2.3
85.02950	4.9
89.02445	4.4
93.03445	2.4
95.01402	1.6
99.05643	1.3
101.02446	8.0
105.03453	3.4
111.00917	1.7
113.02441	4.2
115.00329	1.1
119.03470	1.0
121.06548	1.6
123.04530	1.4
125.27370	0.9
133.02954	12.3
134.03378	1.1
135.04532	1.3
137.02432	3.0
143.04623	6.2
147.04539	1.3
149.02414	4.3
150.03220	62.0
151.04015	10.5
161.02483	1.2
161.04526	3.0
165.05540	3.5
177.01913	9.6
180.83560	0.9
225.05255	1.0
225.15012	1.5
229.03825	1.0
237.09248	1.1
238.06178	0.9
239.07138	6.7
240.07947	1.6
254.09363	5.8
255.10130	2.2
266.05768	4.6
281.08194	48.9
282.08533	4.6
299.09232	100.0
300.09543	9.4
310.04532	1.4
325.07202	13.5
343.08075	1.3
387.06567	1.9
387.15573	4.3
387.23920	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	387.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86337	0.9
57.03434	1.5
59.01375	26.8
61.98816	1.0
71.01379	11.6
73.02940	4.7
81.03424	1.2
83.01386	2.3
85.02950	4.9
89.02445	4.4
93.03445	2.4
95.01402	1.6
99.05643	1.3
101.02446	8.0
105.03453	3.4
111.00917	1.7
113.02441	4.2
115.00329	1.1
119.03470	1.0
121.06548	1.6
123.04530	1.4
125.27370	0.9
133.02954	12.3
134.03378	1.1
135.04532	1.3
137.02432	3.0
143.04623	6.2
147.04539	1.3
149.02414	4.3
150.03220	62.0
151.04015	10.5
161.02483	1.2
161.04526	3.0
165.05540	3.5
177.01913	9.6
180.83560	0.9
225.05255	1.0
225.15012	1.5
229.03825	1.0
237.09248	1.1
238.06178	0.9
239.07138	6.7
240.07947	1.6
254.09363	5.8
255.10130	2.2
266.05768	4.6
281.08194	48.9
282.08533	4.6
299.09232	100.0
300.09543	9.4
310.04532	1.4
325.07202	13.5
343.08075	1.3
387.06567	1.9
387.15573	4.3
387.23920	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	387.072
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	16.9
70.70825	3.8
71.01385	5.1
73.02934	3.6
85.02938	1.6
89.02433	4.1
92.95621	1.3
93.03458	1.7
101.02462	2.0
102.95272	1.3
104.52534	1.3
105.68648	1.8
107.01380	1.5
108.17522	1.5
109.02964	7.4
113.02486	2.0
119.03524	2.6
121.02894	3.3
123.04528	1.3
124.01638	4.2
125.02441	3.3
129.03477	1.5
133.02963	2.8
135.04514	15.7
145.02911	3.7
146.03737	8.1
147.04570	12.6
148.01643	3.6
148.04796	1.2
149.02481	3.0
151.03972	1.4
157.03004	1.7
158.03746	3.7
159.04504	16.8
160.04942	1.6
161.02437	3.1
161.06126	2.0
163.03961	2.6
163.11322	9.8
167.03577	3.5
167.08670	2.3
171.04524	2.0
173.02457	2.4
173.06146	2.2
174.03214	9.6
175.04004	17.3
177.01913	6.8
179.03487	3.2
180.05798	2.0
181.06654	2.5
183.04512	5.1
183.08153	1.9
185.06079	2.8
187.04066	2.7
193.04982	1.6
193.06624	5.3
195.02982	1.4
195.04562	3.3
195.08197	2.3
196.05255	4.2
197.06065	9.7
198.06631	1.4
199.03963	4.1
199.07645	2.3
200.04439	1.6
201.01927	1.9
207.02986	5.0
209.06070	7.2
210.06900	1.5
211.04034	6.4
211.07625	12.2
212.04764	3.0
213.05579	5.5
214.06053	1.5
218.20308	1.4
219.04535	1.8
220.05231	2.0
221.06056	9.8
222.06841	5.0
223.04039	3.3
223.07611	5.0
224.04794	17.8
225.05505	11.8
226.02710	2.9
226.06274	2.1
227.03464	20.6
227.06956	2.2
228.04123	3.7
229.04959	1.6
237.05566	12.2
238.06329	8.2
239.03656	1.8
239.04573	1.5
239.07114	20.5
240.04189	3.2
240.07628	1.5
241.05020	5.8
242.05830	2.9
243.02943	3.1
248.04755	7.1
249.05542	12.0
250.02715	2.8
250.06276	4.1
251.03490	7.5
252.04265	12.5
253.04825	4.0
254.02367	3.7
255.03012	17.3
255.06517	8.5
256.03757	9.6
256.06808	2.1
264.04184	4.0
265.05023	33.3
266.05771	15.6
267.06616	36.8
268.03943	1.6
268.07001	3.6
269.04568	5.0
270.05261	5.2
271.09933	1.6
279.03003	2.5
282.01736	4.2
282.05283	6.9
283.02866	2.8
283.06070	15.7
284.06763	4.7
285.03918	2.5
286.04807	5.1
293.04529	16.9
294.05017	2.9
297.07703	12.1
299.09213	4.1
310.04865	4.2
311.05597	79.0
312.05951	6.7
313.03748	2.0
314.04321	100.0
315.04688	10.8
315.08673	3.8
324.06454	1.6
325.03253	2.7
325.07156	56.2
326.07639	12.2
343.08215	78.5
344.08661	10.0
353.51035	1.4
355.04553	28.3
356.04932	2.1
369.06155	2.2
387.07220	75.0
387.16556	16.3
388.07608	12.1
388.16504	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49382	0.4
59.01378	15.6
61.46838	0.4
61.98834	0.9
69.03439	0.5
71.01380	5.5
71.52381	0.7
73.02956	3.5
81.03419	0.5
81.27750	0.4
83.01392	1.4
85.02946	1.7
89.02450	1.5
91.08775	0.4
91.45501	0.4
92.71049	0.4
95.01382	0.7
101.02419	3.3
105.03465	0.6
108.02157	1.3
108.08215	0.7
109.02944	0.8
113.02447	3.5
118.06609	0.8
119.03484	1.0
120.08192	35.8
121.08542	1.2
121.10201	1.1
123.00875	1.2
124.01675	2.3
125.02483	2.5
132.08197	3.0
133.02924	1.2
133.23163	0.5
134.03757	0.8
134.09793	0.5
135.04538	5.3
136.01685	1.2
136.03970	0.9
136.07664	1.1
137.02454	4.0
138.09250	23.5
139.09601	0.9
143.03433	0.6
148.01663	1.5
148.07545	0.5
149.02431	0.8
150.03255	0.9
150.09167	0.6
151.04027	0.8
160.04054	1.1
160.07704	0.8
161.02461	3.8
161.04494	0.7
164.03528	1.8
164.07111	0.9
165.05527	0.5
166.08731	1.4
167.03461	0.8
173.06079	0.5
175.04056	0.5
177.01917	2.2
177.03329	0.8
178.08734	1.0
179.03430	1.4
182.08211	100.0
183.08582	4.3
183.10098	1.0
189.01883	0.6
192.00557	0.7
192.03072	2.9
193.00989	0.6
196.09776	5.2
201.16861	0.4
203.05602	0.5
207.03017	3.1
208.09636	0.6
216.06610	0.5
218.01726	0.7
224.05751	4.6
224.09261	10.4
225.09581	0.8
227.07161	1.9
232.02481	3.6
254.05438	0.6
260.05563	1.5
264.05017	1.6
271.02689	0.7
276.05173	0.6
281.04391	0.5
282.04828	1.2
296.06421	0.6
300.02820	1.3
301.02994	0.5
324.06110	0.5
325.07193	0.9
325.14365	0.7
326.12369	1.5
342.06934	0.7
354.06647	0.7
358.06580	1.5
358.13870	0.6
369.06128	0.8
369.13452	0.8
386.05679	6.3
387.06613	0.9
387.14359	1.7
387.23819	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13453	1.8
58.30514	1.8
59.01380	9.0
61.98831	100.0
71.01387	3.8
71.53376	2.2
96.95990	4.9
101.02468	1.9
107.37216	1.8
110.18658	2.0
120.99682	3.2
130.08734	4.1
193.53905	2.3
214.15179	1.7
223.62965	1.7
231.56328	1.9
233.76100	2.0
247.12231	2.0
385.05603	5.0
385.16745	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17772	0.7
59.01379	24.7
59.75320	0.9
61.98813	0.9
71.01371	0.9
99.15627	0.8
105.94854	0.8
129.01912	0.9
188.27509	0.8
197.83147	0.8
205.19482	1.9
231.73988	0.8
259.24283	8.4
303.23285	100.0
304.23557	13.1
385.23596	23.3
385.28305	1.3
386.24033	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	386.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	47.8
60.01709	5.4
61.98830	100.0
69.18792	41.1
70.95767	4.1
71.01389	24.9
73.63805	3.7
85.02938	7.8
89.02432	11.4
89.07904	3.7
96.00899	9.3
98.20683	7.9
101.02420	9.0
113.02404	6.3
114.05641	4.9
119.03464	5.4
123.01004	3.7
123.04464	4.4
124.01653	8.6
133.01445	5.0
133.02875	4.3
135.02986	4.2
135.04497	6.0
138.05589	4.9
149.02438	9.1
161.02399	6.4
164.07103	5.6
167.03522	7.8
168.03813	7.4
175.05450	6.8
175.42229	4.6
177.01811	9.3
178.02257	8.0
181.05046	8.2
184.04466	6.1
190.02211	5.4
202.02049	4.2
210.06514	4.5
217.01318	12.4
218.01785	7.5
223.06212	4.9
236.04361	4.7
237.05495	5.2
254.05348	9.8
265.04910	4.2
272.07098	8.7
282.04865	14.2
309.03690	6.2
310.04254	9.8
320.06644	4.5
325.07022	5.4
336.02274	10.0
340.05319	5.1
342.06775	5.2
343.08096	6.5
354.03378	11.5
358.06482	22.1
369.06110	8.6
386.05850	91.9
386.15381	14.4
387.06403	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.6
59.01379	35.8
69.03461	1.3
70.44263	1.0
70.44626	3.0
71.01382	11.6
73.02944	1.8
79.91182	0.9
81.03479	1.0
83.01383	1.9
83.05013	1.7
85.02960	5.7
87.00887	1.1
89.02438	9.4
95.01413	1.4
98.03983	0.8
101.02462	5.5
101.03004	1.0
106.04251	5.1
107.05036	2.0
107.08662	1.6
111.04564	1.2
113.02441	9.6
119.03497	2.1
127.38514	0.9
133.06587	1.0
135.11795	8.2
136.07675	1.8
137.08107	1.1
138.03281	1.0
143.03415	1.1
159.11818	1.4
161.04524	2.0
161.09703	14.2
175.11234	2.1
179.10767	100.0
180.11104	7.3
181.07014	1.2
203.10751	7.3
205.08751	1.6
223.09767	14.3
224.10123	1.9
247.09515	1.5
349.43539	0.9
385.21909	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.6
58.00556	0.6
59.01377	26.8
69.03461	1.2
70.65093	1.5
71.01374	7.0
73.02943	1.5
81.03439	1.0
83.01379	1.8
83.05022	2.1
85.02953	3.5
89.02442	4.6
93.03445	0.5
95.01363	0.7
101.02436	3.8
106.04237	2.8
107.05018	1.4
107.08646	1.8
111.04515	0.6
113.02441	5.7
119.03517	1.6
133.06575	0.7
133.10222	1.3
135.04555	0.5
135.10823	0.6
135.11807	8.5
138.03186	0.5
159.08113	1.6
159.11746	1.2
161.04539	1.0
161.09714	12.4
171.12595	0.4
175.11292	1.7
177.09157	0.9
179.10762	100.0
180.11099	6.1
193.12312	0.7
197.96204	0.5
203.10768	5.3
204.11090	0.7
205.08662	1.7
223.09744	27.8
224.10046	1.7
233.11807	0.5
244.93681	0.5
247.09837	1.2
265.10876	1.4
377.50845	0.5
385.14969	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
59.15567	0.7
60.01705	1.5
68.67957	0.7
70.96989	1.6
71.01374	3.4
73.02959	1.1
75.96928	0.6
85.02950	1.4
89.02467	2.2
93.13242	0.7
101.02449	1.8
104.80647	0.7
105.03448	0.9
105.33676	0.7
113.02458	2.8
114.37479	0.7
118.06623	1.4
119.07026	0.9
123.04498	1.1
124.01653	2.1
133.02927	0.9
135.00911	0.8
136.07669	1.0
137.07964	1.7
145.02925	1.0
149.02461	1.8
150.57378	0.8
157.03079	0.9
167.03505	2.3
177.01915	4.8
180.06706	1.8
181.05118	2.8
181.06821	2.0
182.08298	1.6
189.01935	2.0
199.03984	0.7
201.01945	1.3
217.01489	4.7
226.08829	0.9
235.03938	1.4
237.05611	1.2
239.03493	2.0
253.05048	2.9
263.03467	1.2
265.05066	1.0
267.03000	0.9
281.04559	6.0
295.05923	1.1
298.01221	1.0
307.02481	1.1
308.03299	2.1
309.04031	2.6
318.38391	0.8
325.03564	1.8
335.02026	2.2
341.06354	1.1
353.03143	2.5
357.06039	7.2
367.04477	1.8
385.05643	27.5
385.22461	2.4
386.05887	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44727	0.6
54.76373	0.6
58.92070	0.6
59.01381	100.0
72.38470	0.6
86.85123	0.6
98.19791	1.1
101.02468	0.7
107.15108	0.6
135.04501	1.0
255.03053	0.8
271.02490	1.2
300.02811	2.1
302.48331	0.7
376.17630	0.6
385.58875	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.6
57.03432	1.8
58.00586	3.5
59.01380	89.5
60.01723	1.0
71.01381	46.6
71.51833	0.8
72.99313	5.8
73.02944	2.8
78.69170	1.0
81.80018	0.9
83.01376	3.8
85.02949	11.5
87.00886	1.8
89.02444	48.9
89.03986	1.4
90.02797	1.1
93.03458	8.9
95.01400	4.8
99.00883	1.4
101.02444	32.1
102.02798	1.1
105.03468	2.2
108.04600	1.3
109.02957	1.3
109.06620	0.9
113.02454	17.9
115.00440	1.0
117.03432	1.1
119.03500	23.1
121.02914	2.0
123.04531	2.1
124.01674	4.3
131.03468	1.1
133.01427	2.3
133.02950	1.0
135.00900	1.7
135.02985	1.6
135.04524	3.8
137.06053	4.5
138.05643	1.0
142.45131	0.9
143.03552	1.5
143.08647	1.0
145.02983	1.5
146.07338	2.2
149.02458	4.5
149.04596	1.2
151.03893	1.0
152.01192	0.8
161.02435	1.3
161.09723	27.7
163.03976	1.4
164.04807	1.9
167.03539	4.7
167.04738	0.9
173.02368	0.9
177.01944	7.4
179.03467	1.2
179.05650	1.7
181.05083	14.8
181.08603	1.1
182.04631	1.7
183.04509	1.1
189.01968	3.5
193.01367	1.3
193.06616	0.9
197.06084	1.3
201.01909	3.1
205.08694	2.9
207.04591	1.2
208.03671	1.2
209.04359	1.6
209.06091	2.7
211.03993	3.0
216.00644	1.0
217.01399	8.0
222.78554	0.9
223.06036	6.1
224.05078	1.0
225.05585	2.7
227.03572	1.4
235.03928	3.1
236.04495	1.0
237.05569	3.0
239.03427	3.8
240.04156	1.3
251.03613	1.7
253.05084	6.2
263.03476	1.5
265.05072	1.9
267.02945	2.0
269.08237	1.2
279.02960	2.1
281.04504	10.4
282.04993	1.4
295.06052	1.8
297.04071	1.6
297.07675	1.3
298.01181	1.7
299.02090	1.2
307.02484	1.6
308.03299	3.2
309.04056	5.5
310.04272	1.0
311.05496	1.0
313.07175	1.7
323.05527	2.7
325.03482	2.0
335.01993	3.6
336.02893	1.0
339.05118	2.1
341.06689	6.0
353.02985	7.0
357.06165	9.5
367.04611	3.3
385.05682	44.9
385.15018	100.0
386.06079	4.4
386.15509	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	385.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.3
57.16858	1.4
58.43189	1.7
59.01379	100.0
67.27284	1.5
69.03463	2.9
71.01382	23.7
73.02950	7.4
83.01366	2.8
85.02962	9.7
87.00861	2.2
89.02448	12.1
93.03448	3.1
99.00854	1.8
100.01248	1.4
101.02451	10.4
109.02938	6.4
113.02457	13.5
119.03446	4.4
123.04526	1.5
124.01646	2.1
125.02430	2.4
133.10251	2.9
135.04510	5.6
135.11819	11.0
136.01701	1.9
137.02440	17.4
149.02452	1.7
151.03952	2.2
159.08134	2.3
159.11742	3.9
161.02463	2.9
161.04486	2.6
161.09727	11.5
175.07567	1.4
177.01906	2.6
179.03444	2.0
179.10774	76.5
180.11038	3.8
181.08682	1.5
189.01965	1.9
193.12439	1.6
198.03137	1.4
203.10754	9.7
205.08771	2.4
211.23399	1.4
217.01355	1.9
221.11853	2.8
223.09741	38.8
228.04097	2.0
235.03920	1.9
253.05095	2.3
265.10834	4.1
267.06433	2.2
268.07297	1.9
279.06454	1.8
295.06091	3.3
309.03952	2.8
309.07245	1.7
311.09238	2.4
325.10638	2.7
335.09479	1.6
341.06424	3.0
341.10287	3.4
357.05975	2.5
357.13199	2.5
357.95224	2.1
367.04208	2.0
367.12091	1.6
385.05292	11.2
385.13388	2.2
385.22400	9.1
386.05414	2.4
386.10287	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01808	0.5
52.09386	0.6
55.01881	0.6
55.87599	0.5
56.38380	0.5
58.00576	1.5
59.01380	35.2
59.12078	0.5
60.02800	0.6
60.55235	0.7
66.22911	0.6
71.01383	22.2
71.51704	0.7
72.99313	1.8
73.02938	2.1
75.00882	0.8
75.20704	0.5
78.95891	1.2
79.01894	1.2
81.03465	0.9
83.01384	1.4
83.70078	0.6
85.02960	8.1
87.00874	1.0
89.02450	20.9
89.03974	1.6
91.01887	1.1
93.03451	4.6
95.01388	2.2
96.96001	0.6
96.96951	1.0
99.00878	0.9
101.02446	15.5
104.02644	0.6
105.03479	4.6
107.01411	1.3
107.05048	0.6
108.02185	0.8
109.02949	2.0
111.66070	0.5
113.02448	7.7
115.00372	0.9
117.03454	1.3
119.03515	10.0
119.05005	1.2
121.02957	6.5
123.00887	0.6
123.04546	3.3
124.01673	8.8
125.02320	0.5
133.01463	1.3
133.02954	3.6
133.06563	1.9
135.00897	2.0
135.02994	1.1
135.04523	3.5
136.89136	0.6
137.02423	1.2
137.06091	2.9
139.04002	2.2
143.03503	0.6
145.02956	3.2
147.02980	0.5
149.02441	35.1
150.02763	1.2
152.01147	2.4
157.03017	1.3
161.02432	1.9
161.09708	9.0
163.04022	3.3
163.07599	0.8
164.04790	27.4
165.01891	0.8
165.05174	1.8
165.07036	0.9
166.06325	1.3
167.03505	10.1
167.04901	1.0
169.05054	0.8
173.02437	1.4
173.06120	0.6
174.03230	0.5
176.01076	1.3
177.00520	1.0
177.01945	13.8
178.02321	0.8
179.03561	0.7
179.05710	0.5
179.07137	10.3
181.05101	12.0
181.06760	1.8
181.08574	1.0
183.04497	1.7
189.01904	7.2
191.01892	1.0
193.01395	4.2
193.06555	0.9
195.04515	1.0
197.06026	1.2
199.04039	0.8
200.01222	1.0
201.01939	6.1
202.02731	0.7
203.03397	0.8
205.08736	0.8
207.04517	2.1
208.03752	9.1
208.05495	0.7
209.02837	1.0
209.04468	2.3
209.06204	3.0
211.03976	2.4
212.04663	0.9
213.01906	0.7
215.03317	0.8
216.00633	1.3
216.99409	1.2
217.01419	15.6
218.01762	1.4
219.04501	1.2
221.05978	0.9
223.06117	43.7
224.04483	0.9
224.06645	3.1
224.35658	0.6
225.01859	0.7
225.05573	2.5
226.02744	0.6
227.03442	1.3
229.01563	0.8
235.04002	3.7
236.04803	1.0
237.05603	4.1
238.02757	1.0
238.05885	0.7
239.03523	4.4
240.04312	0.8
245.08319	0.7
251.03447	3.0
252.04146	1.0
253.05035	9.3
254.05591	1.1
263.03482	3.6
264.04083	2.2
265.05042	1.9
266.02292	1.3
267.02921	2.1
268.03619	0.9
269.04462	2.0
279.03018	2.2
280.03769	1.5
281.04559	19.2
282.04965	1.6
291.03015	1.1
295.06082	3.4
297.04001	2.7
298.01242	2.7
298.04205	0.7
299.02008	2.0
307.02444	4.0
308.03229	7.3
309.04004	13.4
310.04361	1.2
311.05786	1.1
313.07104	1.9
323.05539	2.1
325.03549	5.0
335.01959	10.0
339.05078	3.8
341.06607	7.1
342.06921	1.1
353.02994	15.1
354.03281	1.3
357.06125	21.0
358.06580	2.1
360.30646	0.6
367.04562	6.3
368.05179	1.0
385.05658	100.0
385.15030	34.7
386.05994	11.5
386.15665	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	385.0565
Annotation	Stictic acid
Peak:m/z	Relative Intensity
54.14503	0.7
59.01111	1.2
59.01380	16.1
61.98786	0.7
69.95092	2.4
69.95509	1.2
71.01373	1.7
79.01903	1.1
81.03461	1.4
81.84303	0.6
89.03968	1.8
91.01921	1.0
99.85329	0.6
105.03450	4.2
105.78806	0.7
107.01409	0.8
109.02954	1.4
109.06573	0.8
117.03481	1.7
121.02983	0.7
123.04527	3.8
124.01667	7.8
133.02957	4.0
135.00873	2.5
135.04532	0.7
139.04013	1.7
145.02946	2.5
148.01627	1.5
149.02446	4.4
151.04015	1.2
153.62056	0.7
157.02882	0.8
161.02444	1.8
162.80788	0.8
163.03998	1.3
167.03543	8.8
167.04897	1.3
173.02402	1.1
176.01120	1.6
177.01930	15.4
178.02147	1.2
179.10751	2.2
181.05118	6.8
181.06573	1.4
183.04491	0.9
189.01958	4.6
191.04961	0.8
193.06529	1.0
195.04448	1.3
197.05968	1.0
198.03166	1.0
201.01945	5.7
202.02481	0.8
207.04433	1.2
209.04475	2.5
209.06261	3.9
211.03975	3.5
213.01984	1.1
216.00737	1.0
217.01407	14.5
218.01848	1.0
219.04546	1.1
223.03955	1.2
224.04871	1.1
225.02078	1.5
225.05461	1.2
226.02657	0.9
227.03566	1.0
235.04001	2.9
236.04813	1.1
237.05606	5.4
238.02721	0.9
239.03465	4.9
240.04166	1.8
251.03600	1.5
252.04274	1.2
253.05034	10.3
254.05464	1.0
263.03540	3.2
265.05038	2.1
266.02225	2.1
267.02942	3.3
268.06680	0.8
279.02939	2.9
280.03720	1.0
281.04507	19.5
282.04889	2.1
291.02933	1.5
295.06131	3.3
297.00327	1.1
297.03775	0.8
298.01056	4.7
299.01904	2.3
307.02554	2.8
308.03238	7.8
309.04031	10.7
310.04373	1.3
311.05560	0.8
313.07166	2.7
319.30688	0.8
325.03555	5.3
326.03894	0.7
335.02014	7.4
336.02518	1.0
339.05103	2.7
341.06534	2.0
353.02917	9.6
354.03043	1.6
357.06152	27.0
358.06488	2.9
362.65448	0.8
367.04581	5.3
385.05643	100.0
386.06039	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	385.0564
Annotation	Stictic acid
Peak:m/z	Relative Intensity
55.37747	0.5
59.01377	0.8
63.96931	0.5
64.01637	0.5
69.93495	3.0
72.02163	0.6
73.02941	0.9
79.01914	0.9
81.03475	1.0
89.03976	1.7
95.01402	0.9
105.03463	4.3
107.01381	2.3
109.02940	1.8
114.01913	0.6
117.03489	1.6
119.04964	0.8
121.02978	1.4
123.04532	4.1
124.01665	10.0
133.02966	3.4
135.00839	2.9
135.02850	0.7
135.04536	0.7
137.06099	1.2
139.04086	1.4
145.02962	3.2
148.01724	0.7
149.02451	5.5
152.01184	1.0
152.67001	0.5
152.71951	0.6
155.05086	0.7
157.02902	1.7
159.00890	0.5
160.01599	0.8
161.02458	2.3
163.04002	1.2
165.07072	0.8
167.03510	10.8
171.04532	0.6
173.02364	1.6
176.01105	2.4
177.01930	16.7
178.02254	1.3
181.05063	8.1
181.06535	1.5
182.03680	0.6
182.05313	0.7
183.04510	1.5
185.02412	0.8
189.01917	6.5
190.02466	0.6
191.05009	1.0
193.06534	1.4
195.04494	1.4
196.05229	0.8
197.06046	0.8
197.68808	0.6
199.03928	0.6
200.01208	0.8
201.01930	5.6
207.04482	1.3
208.03632	1.0
208.05389	0.8
209.04472	2.3
209.06200	4.9
210.06477	0.7
211.04018	2.8
216.00645	1.7
217.01395	18.0
218.01764	0.9
219.04553	0.9
221.06010	0.6
223.03970	1.3
223.06123	2.4
224.04654	1.4
225.01874	0.8
225.05582	2.8
227.03523	1.4
229.01344	1.1
235.03937	4.2
236.04697	1.2
237.05557	5.9
238.02834	1.1
239.03493	5.2
240.04222	1.6
241.05014	0.8
251.03497	3.6
251.07172	1.2
252.04146	0.9
253.05019	11.0
254.05481	1.0
263.03381	3.4
264.04309	2.1
265.05002	2.6
266.02225	2.0
267.02957	2.6
267.06430	0.6
268.03720	1.0
269.04529	2.0
269.08145	1.0
279.03003	3.6
279.06546	1.0
280.03687	1.3
281.01364	1.2
281.04538	22.2
282.01871	0.7
282.04965	1.9
291.03110	1.0
295.02127	0.6
295.06033	3.4
297.04016	2.5
297.07230	0.6
298.01166	2.1
299.01920	2.3
307.02444	4.4
308.03214	8.2
309.04013	15.2
310.04468	1.4
313.07187	1.7
323.05563	7.9
325.03571	6.6
326.03912	0.9
335.01901	9.6
336.02402	0.9
339.05154	3.8
340.05316	0.9
341.02554	1.0
341.06671	17.6
342.06995	1.7
352.02145	0.6
353.03006	13.6
354.03333	1.7
357.01672	1.2
357.06143	24.1
358.06549	2.3
367.04578	8.1
368.04831	0.9
385.05630	100.0
386.05994	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	383.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01707	2.0
69.41740	1.6
69.42405	13.3
69.42750	2.3
71.01381	37.9
73.02943	6.2
73.75465	1.8
85.02952	9.6
87.00847	3.0
89.02432	4.4
96.70737	1.9
99.00851	2.0
101.02427	14.2
104.16363	1.8
113.02424	7.8
132.25427	1.6
132.26416	1.6
135.04536	4.7
147.05550	2.7
147.06635	29.5
159.03015	1.9
161.04504	13.7
173.08125	7.4
179.03496	4.7
180.06631	2.3
184.66776	1.6
201.07669	4.0
211.26799	1.9
263.11316	33.3
291.10825	13.4
322.00803	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	7.9
69.39922	2.4
69.40337	0.8
71.01392	3.1
73.02939	0.8
75.35954	0.4
83.01398	0.4
85.02918	0.9
89.02470	2.0
97.02935	0.4
98.20580	0.8
101.02457	2.1
106.04269	1.2
108.08192	6.0
113.02445	1.8
118.44245	0.4
119.03506	0.4
121.05321	3.7
122.09740	0.6
124.04076	0.5
135.11818	0.5
135.95381	2.2
136.04080	7.1
136.07681	100.0
137.08037	5.0
141.56804	0.5
145.35890	0.5
148.07687	2.1
149.41177	0.4
150.05661	0.6
150.09239	2.2
152.03571	1.3
161.09735	2.8
164.07152	1.1
172.22406	0.4
174.09192	0.4
176.07166	1.6
178.08769	0.5
179.10776	13.1
179.94389	1.9
180.06660	54.0
181.07013	3.5
192.06723	0.5
192.10316	0.5
194.08209	21.9
195.08565	0.9
199.69112	0.4
203.10759	1.6
206.08205	0.6
220.09787	1.2
222.07726	16.6
223.08040	0.7
223.09825	3.8
234.07806	0.5
265.10727	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.6
68.38802	0.5
70.97929	1.3
71.01380	1.7
71.05022	21.6
73.01023	0.5
75.02383	0.8
75.82123	0.5
77.03988	1.1
93.03454	1.2
107.05031	2.3
119.01409	1.0
121.02956	14.9
122.03279	0.7
133.02953	0.6
134.03746	26.2
135.04527	1.5
147.00874	5.7
149.02422	0.6
149.09743	3.6
161.02426	1.3
163.52917	0.5
165.01956	0.5
176.53012	0.5
177.09213	7.0
190.99893	1.1
206.71300	0.5
221.08194	100.0
222.08548	5.4
259.92529	0.5
287.50333	0.6
341.15961	0.6
378.86899	0.5
383.15198	0.8
402.22690	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.15
Annotation	5,7-Dihydroxy-3',4'-dimethoxy-5'-prenylflavanone
Peak:m/z	Relative Intensity
59.01112	1.7
59.01381	36.1
61.83384	0.7
69.83633	2.5
96.96072	1.4
113.02508	0.9
145.02957	4.8
147.04544	1.3
186.25815	0.7
196.05302	0.7
209.06154	2.4
209.09622	3.2
221.06297	0.7
221.09772	2.8
222.06779	1.2
223.07632	2.5
224.04834	3.7
236.08495	2.3
237.05568	6.2
237.09184	8.9
238.06293	1.3
238.09641	0.9
247.07599	1.3
248.08443	0.9
249.09200	2.6
250.06427	1.6
250.09285	0.8
251.07111	1.0
252.04308	2.8
255.10303	0.8
263.07245	0.8
264.07755	1.3
265.05270	3.5
265.08667	31.9
266.05801	3.7
266.09018	3.2
275.07056	1.4
276.48053	0.7
277.08682	1.8
278.09485	1.8
280.07385	1.1
283.09793	1.3
291.06763	0.9
293.08185	26.3
294.08575	2.4
296.10608	1.7
297.11246	7.8
307.09549	0.8
308.10629	2.0
309.11261	1.0
311.09439	1.0
311.12692	3.2
312.13632	3.3
324.09964	1.2
325.10797	23.6
326.11185	3.4
336.10037	1.6
337.10687	4.6
338.11423	3.8
339.12326	2.5
340.12933	4.6
341.14093	3.4
351.12460	2.4
352.09381	1.0
352.13208	4.7
353.10284	100.0
354.10635	11.4
367.11874	15.3
368.12619	84.2
369.13025	9.7
383.14966	99.4
384.15314	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	383.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07020	1.0
58.25318	1.1
70.22252	1.1
71.07771	2.0
85.02924	7.5
87.00903	1.5
93.03461	3.3
109.14998	1.2
127.04000	1.7
128.47046	1.1
182.31316	1.2
191.05603	100.0
192.05968	4.4
225.59912	1.2
357.75119	1.2
385.52692	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10062	1.3
59.01381	2.1
62.36837	1.2
63.95760	1.1
67.47144	1.2
71.01408	1.9
71.20354	3.0
85.02938	9.1
87.00865	3.0
93.03485	2.8
119.12767	1.3
191.05605	100.0
192.05998	4.4
244.18594	1.2
309.11850	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29916	0.6
51.49539	0.7
56.70257	0.7
59.01379	100.0
60.01719	1.6
71.01385	2.5
73.02987	0.8
84.48741	0.7
87.00913	0.7
89.02409	0.7
101.02451	1.1
102.60223	0.8
119.05029	33.1
135.04605	1.3
135.06548	0.8
341.11105	0.8
383.10800	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0772
Annotation	Decaketide tricyclic intermediate
Peak:m/z	Relative Intensity
50.73870	0.8
59.01382	6.0
61.98812	1.2
71.01383	2.5
71.52649	1.3
85.02946	1.0
85.68683	0.9
87.00841	1.6
89.02435	1.8
96.36600	0.8
101.02424	1.4
111.54808	0.8
113.02438	1.1
119.03482	1.4
121.02954	100.0
122.03297	5.0
147.04527	1.6
149.02432	1.8
161.04602	1.1
162.86028	1.0
181.06587	5.0
191.03523	9.6
225.05548	8.8
241.68138	0.9
251.07050	2.6
295.06094	10.5
311.09259	15.6
312.09631	1.8
313.07187	18.6
314.07578	1.6
323.09790	1.6
339.05035	1.4
339.08762	14.1
340.08685	1.6
341.11023	2.3
365.24658	2.5
383.07712	22.7
383.18851	2.9
384.07919	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	382.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.34215	2.4
61.98809	3.1
71.01377	4.2
71.51873	3.7
84.02226	2.3
106.61519	2.4
167.67865	2.8
183.01140	4.4
325.18420	13.6
366.41367	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	383.0408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	8.3
69.69897	0.9
69.93639	5.1
71.01387	7.3
80.96501	1.1
89.02432	2.4
96.96017	1.3
98.19928	1.5
101.02430	1.1
107.05138	1.0
109.02954	1.0
114.70585	1.0
115.00401	2.0
119.01360	2.1
119.03493	1.0
121.02971	2.1
124.01627	1.0
125.02462	2.8
133.01437	2.0
135.00945	1.6
135.04536	3.5
135.08163	2.7
137.02455	1.2
145.02954	1.4
148.01680	3.4
149.02451	1.8
151.04028	1.2
161.02505	1.3
163.04071	1.1
167.04956	2.4
169.06563	1.2
174.01082	0.9
175.00307	1.7
177.09187	2.1
179.03493	8.2
179.05089	2.8
179.07053	2.2
180.05737	3.7
181.05061	1.1
183.04475	2.3
189.01962	2.8
195.04514	13.3
196.05283	3.6
197.06013	2.2
199.03964	1.4
200.01077	1.5
201.01924	4.6
202.02136	1.1
207.02892	3.7
207.04541	9.6
208.05206	1.3
211.04008	2.6
214.02661	1.2
216.00545	1.6
217.01396	6.1
222.03113	2.0
223.03978	12.5
224.04784	7.6
225.01826	1.8
225.05447	1.7
229.01524	1.4
235.04041	8.2
237.05673	1.6
238.02690	1.0
239.03471	3.5
239.06917	1.3
247.02510	1.2
250.02557	1.8
251.03467	58.3
252.04172	24.2
253.04630	2.7
263.03510	2.4
265.04916	1.2
267.03149	2.1
267.06604	10.4
269.04474	1.2
279.02979	25.2
280.03409	3.0
281.04346	1.2
283.06168	1.9
295.02499	4.4
295.06067	1.6
296.03244	3.8
297.03949	1.9
307.02390	12.2
307.09869	1.5
311.05594	38.5
312.06082	3.3
323.02078	6.4
324.02676	1.3
327.05042	2.1
337.03525	7.9
339.05011	4.8
351.01550	6.9
355.04562	48.3
356.04871	4.5
365.03079	4.1
366.03818	1.5
383.04053	100.0
383.11786	2.7
384.04361	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	381.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	20.3
61.98822	22.9
70.16207	42.3
71.01372	13.5
85.77426	9.6
98.00085	41.9
125.64041	12.9
144.28847	12.9
148.07693	49.5
149.08058	18.4
259.20618	32.9
275.23773	18.4
299.16101	10.8
319.22739	55.1
363.21854	20.3
381.18637	22.1
381.22827	100.0
382.23035	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	381.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46443	18.6
59.01366	66.1
63.25804	19.6
70.27675	74.6
78.95908	36.9
86.92768	22.0
98.00052	36.0
118.97337	17.5
127.85410	16.4
228.37738	21.3
319.22629	43.0
363.21591	41.4
381.22415	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19465	0.3
54.57991	0.3
57.03437	0.3
59.01377	2.2
61.98814	0.4
71.01385	3.0
71.51949	0.4
73.02953	0.5
79.62486	0.3
83.01390	0.3
85.02927	1.1
87.00880	0.4
89.02447	0.5
94.76519	0.3
95.01417	0.3
96.96014	0.4
101.02459	0.9
106.06625	21.9
107.06956	1.1
113.02446	0.6
115.00373	0.3
116.05073	0.4
118.06640	1.1
120.08217	0.9
121.02959	1.5
122.03312	0.4
124.43001	0.3
125.02454	0.5
134.06120	100.0
135.04538	0.4
135.06464	4.3
146.06087	0.7
148.04039	0.4
148.07675	1.5
162.05580	1.2
164.07123	0.8
172.07637	0.4
174.05527	1.5
176.07025	0.4
178.05089	46.5
179.03896	0.3
179.05440	2.5
190.08755	0.6
192.06648	16.1
193.06950	0.9
204.06657	0.6
218.08153	0.7
220.06149	14.2
221.06499	1.2
232.06046	0.6
234.10435	0.4
339.18732	0.3
340.60089	0.3
382.11844	1.3
383.11481	0.4
383.20773	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01720	1.0
60.75718	0.6
65.74187	0.6
71.01385	2.4
71.51735	0.8
71.52071	0.7
72.34440	0.5
73.02965	0.7
81.07565	0.6
96.96005	0.5
101.02491	0.6
106.06644	0.6
121.02978	0.6
133.01523	0.7
134.06145	2.1
135.04535	1.3
141.64894	0.5
148.01610	0.7
152.07195	1.2
161.02489	2.0
161.04529	0.6
174.62616	0.6
175.07704	0.8
176.01221	0.7
177.02032	1.4
178.05202	0.6
220.00226	1.1
220.06201	0.8
231.78299	0.6
252.03806	0.7
268.25430	0.6
298.12787	0.6
337.03409	0.6
380.70993	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	4.9
57.03446	4.6
58.00595	20.2
58.00890	1.0
59.01379	41.3
60.01701	0.7
67.01881	0.8
68.99815	1.2
69.03461	3.4
69.18742	3.7
69.19164	1.4
71.01383	56.5
71.05022	10.8
72.01718	1.4
72.99313	3.9
73.02947	24.2
73.06572	1.1
79.01885	0.5
81.03471	2.0
83.01387	17.2
83.05048	2.2
84.02168	1.0
85.02953	21.9
85.06573	2.7
86.00101	6.7
87.00346	0.5
87.00879	12.8
87.04517	21.8
88.01674	0.9
88.04821	0.5
89.02450	21.9
90.02735	0.5
91.05533	2.3
92.05352	0.4
93.03429	0.8
95.01395	9.9
95.37150	0.5
96.25146	0.4
96.83397	0.4
97.02960	4.5
97.06563	0.6
99.00880	31.8
99.04517	3.1
99.31538	0.4
100.01662	1.7
101.02444	74.8
101.06081	100.0
102.02789	1.4
102.06421	2.2
103.03949	0.5
105.03464	0.8
107.05032	5.5
111.00895	8.6
112.01674	5.5
113.02453	40.3
113.06050	0.7
114.02739	1.0
115.00403	0.6
115.04016	0.8
115.64371	0.4
118.02734	1.5
119.03498	6.7
121.02972	0.6
121.10252	1.6
124.01662	1.1
125.02460	6.4
128.01134	0.7
135.04527	34.9
136.04886	2.3
141.01932	1.7
142.02722	1.3
143.03522	3.2
147.11726	0.5
148.01717	0.5
149.13362	9.8
150.03270	0.5
150.13673	0.7
151.04045	0.6
152.03255	4.3
155.07198	0.5
158.02260	1.0
160.03767	1.8
161.04549	1.4
177.01929	1.5
177.12846	0.7
178.02913	0.9
178.04820	14.1
179.05247	0.5
181.05043	0.8
185.13354	0.7
199.14941	0.9
201.16464	2.4
202.16719	0.5
203.18065	4.2
204.18378	0.5
209.04599	1.2
217.15947	6.2
218.16241	0.7
219.17473	0.8
261.18665	0.7
279.19666	10.3
280.20007	1.3
303.19736	0.6
319.15704	0.5
319.19281	1.3
349.20007	0.7
369.51157	0.6
381.22806	5.5
382.23279	0.6
384.33420	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.6
57.03445	11.7
59.01380	27.4
68.99824	2.4
69.03448	5.1
71.01382	100.0
71.05022	1.3
71.52859	1.1
72.01723	1.2
72.99314	1.3
73.02946	11.3
81.03450	4.0
83.01393	18.1
85.02950	20.3
87.00870	2.5
87.04517	5.6
89.02448	8.7
89.06081	10.3
91.05527	5.0
95.01383	8.9
97.02950	5.3
97.06577	3.2
99.00888	4.4
101.02449	14.1
107.05032	14.1
109.06607	1.4
112.01673	4.9
113.02458	22.0
118.98125	1.6
121.02956	37.1
123.08115	1.2
124.01633	1.6
125.02456	5.4
125.06084	31.8
125.09708	3.8
126.06389	1.2
127.11304	1.2
133.02878	1.2
134.00499	1.0
135.04529	76.2
136.04854	4.3
137.06050	1.8
137.09738	1.8
141.12837	4.7
143.03485	3.3
151.04066	2.4
151.11279	1.5
153.09192	6.2
161.04532	4.3
165.01881	3.1
169.12288	1.7
177.01949	2.1
179.03439	1.2
179.07135	1.2
181.05038	3.2
183.13913	4.2
185.15453	5.4
199.17082	5.7
203.09218	1.2
227.16435	2.3
229.18091	3.7
230.33144	1.1
233.10315	21.7
237.07660	5.4
243.19641	9.2
255.19757	1.5
291.08789	1.4
303.52734	1.1
312.68561	1.1
319.15326	2.2
337.27454	4.0
381.11905	53.7
381.26447	59.0
382.12271	6.9
382.26788	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	381.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89297	0.2
59.01403	0.2
59.35473	0.3
62.23165	0.3
69.40372	0.3
69.81482	1.2
81.03448	0.4
89.03963	2.1
93.03447	0.2
96.53046	0.2
104.02731	0.4
104.96100	0.3
105.03456	4.3
114.05603	0.3
114.74406	0.2
120.94585	0.2
133.02957	9.3
134.03226	0.4
149.02419	1.6
161.02486	0.3
168.32695	0.2
176.01151	0.5
177.01918	100.0
178.02255	4.9
197.84212	0.2
208.89621	0.3
306.47183	0.2
337.03738	0.3
381.02448	0.3
381.08035	0.6
381.19193	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29243	1.1
55.01867	2.7
57.03452	3.1
58.00590	1.8
59.01069	1.4
59.01378	26.3
61.98820	1.3
68.99816	2.0
69.03457	2.7
69.22967	10.7
71.01381	100.0
72.01722	2.1
73.02946	12.8
81.03456	3.7
83.01385	13.3
83.97552	0.9
85.02949	19.0
87.00880	2.8
87.04514	6.1
89.02450	8.6
89.06088	13.3
95.01392	7.3
96.96006	1.5
97.02950	3.6
99.00893	3.5
101.02443	12.9
109.02932	1.8
112.01678	2.8
113.02450	20.1
121.02952	36.9
125.02438	4.5
131.07227	1.5
133.01451	1.5
133.03000	1.8
134.06133	3.1
135.02898	1.2
135.04500	7.4
137.02383	1.3
143.03467	2.6
155.07141	1.7
159.04483	1.6
161.02530	1.7
161.04558	4.0
162.05580	2.1
165.01906	3.6
177.01906	3.0
177.05577	1.2
178.05081	2.1
179.03471	3.2
191.83714	1.2
197.98351	1.0
233.10280	18.7
237.07713	4.5
291.08899	1.3
353.09921	1.3
381.11966	45.0
381.19058	2.4
382.12491	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	380.0622
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24017	1.8
55.67567	1.6
55.79635	1.8
57.03442	1.9
59.01379	26.3
61.98829	49.0
70.74677	1.8
71.01369	7.2
71.52033	2.6
81.03419	2.1
91.05516	5.5
99.04507	4.5
101.20459	2.0
107.05028	17.7
113.24194	1.8
113.63467	1.7
121.02946	4.4
123.04501	5.0
135.04530	100.0
148.01711	2.0
151.03981	14.3
152.04346	4.8
157.12283	7.1
158.12662	2.4
181.05016	6.5
212.00450	2.0
220.00119	8.9
252.05365	1.9
281.43567	2.2
289.07193	3.9
297.60672	1.7
336.15390	7.2
352.11008	1.9
379.24869	2.6
380.24969	2.5
394.33395	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	379.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89813	0.5
55.01881	0.6
55.64255	0.4
57.03461	0.9
57.97561	100.0
58.00610	0.5
59.01380	21.4
60.97521	0.7
71.01383	17.6
71.52048	0.6
73.02953	2.2
76.49493	0.5
83.01409	1.5
85.02953	6.4
86.06115	4.1
87.00874	0.5
88.07700	0.9
89.02451	13.1
92.38615	0.4
95.01404	1.5
99.00926	1.4
101.02444	11.0
101.03106	0.7
108.03015	0.5
109.49411	0.4
113.02448	7.6
114.05605	0.9
116.07188	4.1
119.03516	5.3
125.02433	0.6
128.79378	0.5
130.03320	6.5
133.01433	0.8
133.02983	2.8
135.04561	1.1
137.02467	0.6
143.03517	0.9
159.03056	0.8
159.04544	0.5
161.04526	6.7
161.05684	0.6
162.05011	0.6
206.09143	0.5
278.12430	11.4
278.15173	0.7
279.12750	0.8
292.08774	0.8
317.17236	1.7
327.85669	0.5
335.10678	1.8
351.16147	0.9
359.87454	0.6
379.09442	1.3
379.15656	0.7
380.15231	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1608
Annotation	3-Methyl-2-butenyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.55701	1.0
52.26412	0.8
52.39735	0.8
54.84682	0.9
55.01864	1.4
57.03422	1.0
58.00584	3.3
59.01380	93.0
60.01718	1.3
69.03464	1.8
69.87259	4.2
71.01382	65.1
72.99295	4.2
73.02944	17.0
75.76560	0.9
83.01385	3.0
85.02951	9.9
87.00866	3.4
89.02447	100.0
90.02791	2.3
93.03459	2.0
95.01392	2.9
96.96043	0.9
97.02959	1.7
99.00887	18.9
99.92586	7.5
100.92539	0.8
101.02444	39.1
101.03111	1.9
102.02771	0.8
113.02450	16.4
115.00279	1.2
115.92085	7.8
116.92864	26.6
117.92882	1.1
119.03512	17.5
125.02462	4.4
131.03514	15.2
133.01407	1.2
133.02869	0.9
134.03731	1.3
135.02974	1.3
135.04539	4.1
136.04874	1.3
137.02441	2.5
143.03490	3.7
143.07100	0.9
149.04552	43.5
150.04880	1.7
157.08705	4.6
161.02415	1.5
161.04546	5.8
162.02791	1.1
170.93927	1.2
177.32896	0.8
179.03494	1.1
179.03990	1.0
179.05638	10.5
184.86075	0.8
191.05630	11.5
191.41833	0.8
198.93124	0.9
214.92955	0.9
217.10831	4.1
218.36731	0.8
221.06708	1.7
225.76984	0.8
233.06648	1.7
247.11752	4.6
251.07668	3.8
320.97897	0.8
350.28638	0.9
379.10715	1.7
379.16077	35.0
380.16107	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	378.9761
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	5.1
64.00555	0.5
71.01379	1.4
73.77341	0.4
84.93866	0.9
89.02438	0.7
93.03438	0.4
94.03824	0.4
96.95988	0.5
98.20715	1.2
99.92584	37.4
100.92619	1.5
100.93365	3.0
101.02451	1.0
115.00378	0.5
115.91212	1.0
115.92078	42.2
116.92860	100.0
117.03481	0.8
117.92887	5.7
117.93663	0.7
119.05000	1.2
121.02941	1.0
123.04491	0.7
124.01641	0.5
125.94158	0.8
126.94939	1.2
133.01439	0.7
133.02957	0.5
134.03746	7.9
135.04498	1.5
136.04866	0.5
142.94443	0.9
143.95239	0.7
145.03003	1.0
149.02397	0.8
153.93652	1.6
157.08684	0.8
161.02429	1.6
169.93102	1.5
170.93913	7.0
179.03528	1.0
181.03920	0.6
186.93407	1.5
187.94052	0.7
197.92615	2.4
198.93423	3.2
214.92894	4.3
217.96828	0.8
218.97543	0.7
233.96339	0.4
234.96996	1.0
244.95393	2.4
244.99126	1.0
246.97108	0.8
249.76891	0.4
250.96519	0.6
260.98657	0.4
261.95776	0.8
262.96478	2.1
262.99298	0.4
272.98792	1.2
285.08862	0.8
288.98129	1.4
289.97556	0.5
290.23950	0.4
316.97641	2.2
330.14221	0.5
335.15164	0.8
360.96545	3.8
361.96591	0.6
378.97565	3.9
379.14456	2.0
379.19971	1.0
379.97620	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87084	0.9
59.01399	4.5
60.69832	0.7
61.98832	100.0
65.29171	0.7
69.92301	1.4
69.92707	3.6
71.01389	1.8
78.36933	0.8
83.01350	0.7
84.85599	0.7
89.02431	1.7
98.19939	1.2
101.02428	1.3
115.00340	0.9
116.92861	3.4
133.01399	1.0
133.02943	1.0
135.04559	1.0
141.05350	0.9
176.63042	0.9
180.06679	1.6
201.29526	0.8
334.18091	1.3
341.10797	1.6
342.11206	1.4
379.16122	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.153
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96977	1.4
59.01362	5.7
61.98830	100.0
66.74799	1.7
71.01376	6.4
71.52942	2.4
79.95763	1.8
92.10956	1.7
101.98086	5.7
116.65759	1.6
155.99139	2.7
162.89349	3.4
164.99966	1.5
177.09167	2.7
192.11572	2.6
194.24149	1.4
220.14664	37.7
221.15440	55.7
222.15807	2.8
231.17404	3.0
236.08246	2.8
236.10539	42.2
237.10846	5.2
275.16534	5.1
283.70502	1.8
293.17676	11.2
300.17981	1.7
305.12390	4.9
306.13089	2.6
360.14154	5.9
378.15298	48.9
378.28348	3.6
379.15656	4.7
379.20593	1.7
384.56244	1.5
394.66003	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
57.56428	0.6
59.01379	100.0
60.01712	1.3
69.26769	5.9
71.01392	2.2
77.13646	0.6
85.02946	0.9
89.02443	1.7
101.02423	1.6
103.69353	0.5
113.02462	2.2
119.03534	1.2
123.59945	0.6
155.10780	50.7
156.11140	2.4
161.04610	1.3
169.12350	0.8
191.57674	0.6
227.12746	0.8
392.18439	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86056	0.5
55.01892	1.0
59.01379	100.0
60.01707	1.0
62.88444	0.5
65.03986	0.9
69.03464	0.6
69.26290	5.0
71.01379	11.1
73.02938	3.5
74.48931	0.5
78.95906	0.6
79.95735	0.6
81.03437	0.6
82.09874	0.5
83.01392	2.2
83.05034	1.9
85.02949	6.1
87.00879	1.1
88.07693	4.7
89.02434	2.6
89.03972	0.7
91.05518	0.6
92.82861	0.6
93.03455	22.5
94.03814	0.9
95.01389	1.9
95.80518	0.5
96.96013	2.3
99.00873	1.2
101.02443	7.5
107.05037	2.7
109.02962	3.0
111.04525	4.6
113.02445	7.6
113.92646	0.6
114.05623	3.5
114.93381	0.9
115.00388	0.7
117.03469	1.0
119.03523	0.6
121.02985	2.8
122.03725	0.9
123.04518	1.3
125.02444	0.9
132.02185	1.0
133.01442	0.8
133.02951	15.3
134.03754	5.6
135.04523	87.8
136.04855	4.1
137.02435	11.1
139.04007	0.7
143.03468	0.7
147.04486	0.6
149.02432	16.6
150.03242	4.4
151.03957	0.7
152.99582	1.4
155.03485	3.6
159.04567	1.4
161.02438	48.9
161.04593	2.3
162.02731	3.1
164.04845	3.2
165.05554	4.3
167.07179	1.0
173.12936	13.1
174.06862	1.0
175.04007	0.7
177.01942	1.3
178.02644	0.8
179.03488	47.3
180.03839	3.1
181.06650	0.7
183.08125	0.7
185.06047	1.4
193.01329	1.0
193.06650	0.7
195.06564	2.5
196.06943	0.6
209.06038	2.5
210.06665	0.7
211.07616	10.9
212.07922	0.6
229.05025	0.8
229.08736	2.7
232.11923	3.9
237.05420	0.7
241.00214	3.2
250.12965	2.2
251.01950	2.2
255.06586	8.6
258.09763	0.8
269.03000	0.8
273.07678	13.5
274.08060	1.2
276.10730	1.1
283.09933	1.0
287.15991	0.6
299.05719	1.3
314.11505	5.7
315.12045	0.8
317.06644	8.6
317.17096	11.4
318.06921	0.7
318.17493	1.2
329.13950	15.1
330.14136	1.9
335.18204	5.5
336.18518	0.8
341.05307	0.8
341.10608	0.7
359.05869	1.3
377.08112	2.3
377.18176	2.4
378.08408	0.8
395.24234	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90261	0.3
55.53323	0.3
55.87785	0.3
59.01382	2.0
65.03957	0.4
67.01915	0.3
70.86284	0.3
70.86628	0.6
71.01392	0.5
74.42152	0.3
81.03448	0.5
83.05010	1.5
89.03962	0.3
91.05526	0.5
93.03460	17.4
94.03769	0.5
96.96000	0.3
101.02513	0.3
105.03447	0.4
107.05034	1.8
108.02161	0.5
109.02934	1.4
111.04525	4.3
117.03461	0.6
121.02918	0.4
133.02960	8.1
134.03751	6.0
135.04529	100.0
136.04858	4.1
137.02448	12.0
138.02785	0.4
150.03203	0.5
151.04027	0.4
155.03505	5.3
159.04535	0.6
161.02446	28.1
162.02773	1.3
163.04007	0.3
165.05490	0.3
165.07030	0.3
165.09169	0.3
178.02722	0.5
179.03500	67.8
180.03860	4.1
183.08095	0.4
185.06062	0.6
193.06596	0.9
209.06064	1.8
210.06842	0.5
211.07642	8.8
212.07942	0.9
213.05602	0.3
215.05598	0.5
229.08702	0.8
255.06624	7.1
256.06998	0.6
260.12466	0.4
273.07635	3.9
317.06662	2.9
335.07602	0.6
377.08789	2.8
377.18320	0.6
378.09210	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	7.3
65.03981	0.8
69.03460	0.5
69.73212	2.9
71.01389	5.7
73.02951	1.0
77.03934	0.7
81.03477	0.9
83.05031	1.8
85.02967	1.8
89.02464	1.5
91.05526	0.6
93.03456	28.4
94.03808	0.6
95.01399	0.6
95.05063	1.1
96.96007	2.5
98.20621	1.1
101.02460	1.8
105.03460	0.8
106.04259	0.7
107.05015	3.3
108.02195	0.6
109.02946	4.7
111.04533	6.0
113.02442	1.0
117.03472	1.9
119.03526	0.7
119.05048	0.7
121.02949	5.8
122.03761	2.3
123.04541	2.1
132.02147	1.3
133.01442	0.8
133.02957	18.1
134.03775	7.7
135.04526	100.0
136.04868	4.0
137.02446	14.1
138.05550	0.6
139.03952	0.6
145.02911	0.6
146.03748	1.1
147.04550	1.3
149.02440	46.1
150.03242	14.1
155.03488	4.8
159.04523	2.7
161.02440	68.1
162.02797	3.3
164.04793	8.6
165.05569	12.1
166.06189	0.9
167.07161	2.4
172.05263	1.0
173.06004	0.9
173.08185	0.8
174.06886	0.7
175.03963	0.8
177.01967	1.5
178.02672	1.1
179.03496	58.8
180.03937	3.2
185.06059	2.8
187.04135	0.5
193.06560	1.5
195.06612	5.8
199.07710	0.7
201.09171	0.7
203.03389	0.8
209.05995	3.4
210.06606	0.8
211.07625	18.0
212.08006	0.9
213.05681	0.7
227.03391	0.8
227.07155	0.6
229.05093	0.7
229.08682	3.4
240.42856	0.6
241.09782	0.9
255.03049	1.2
255.06615	11.0
273.07672	19.8
274.08069	1.5
283.02460	0.9
283.09396	1.0
284.03305	1.9
285.03574	0.6
299.05753	1.0
314.11575	14.7
315.11938	1.1
317.06622	13.7
318.06686	1.0
329.13922	44.6
330.14285	5.4
377.08936	4.3
377.18250	8.8
378.18619	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10695	0.7
59.01375	6.1
65.03958	1.0
67.04843	0.6
68.04358	0.7
69.24580	1.4
69.24989	5.1
71.01382	4.7
72.99326	0.9
73.02941	0.7
81.03452	0.8
83.05042	1.7
85.02981	1.5
87.00875	0.8
89.02477	0.9
93.03457	27.4
94.03783	1.0
97.89822	0.6
99.00878	1.3
101.02442	1.5
107.05029	4.0
108.02171	1.3
109.02949	5.7
111.04505	5.5
112.58104	0.7
115.00383	1.2
117.03466	6.9
119.05022	6.1
120.01260	1.0
121.02970	5.8
123.04541	2.2
132.05865	0.9
133.01398	1.6
133.02957	20.2
133.06476	0.8
134.03751	8.8
134.97589	0.8
135.04527	100.0
136.04823	4.1
137.02434	16.1
145.02962	7.9
146.03564	0.7
147.04535	1.0
155.03493	3.5
159.04549	4.0
161.02443	72.6
162.02791	3.4
163.04016	5.1
165.05591	1.2
173.06055	1.9
174.06789	1.7
175.03976	0.9
178.02641	1.1
179.03497	54.9
180.03862	2.5
183.08174	0.9
185.06075	2.7
187.03999	0.9
188.04861	1.3
193.06638	1.7
199.03967	0.7
203.03462	1.4
205.05051	0.9
209.06161	4.2
210.06891	0.8
211.07640	20.1
212.07962	0.7
215.05432	0.8
227.03523	1.2
229.05177	1.3
229.08681	4.4
243.02919	3.4
255.03017	6.1
255.06596	10.7
265.07114	1.6
271.02448	13.5
272.02881	2.1
273.07660	26.8
274.08090	2.1
299.05585	1.9
300.02737	24.9
301.03186	4.1
304.06851	0.8
317.06641	17.1
318.06937	1.6
334.86948	0.8
377.08740	12.7
377.18079	1.2
377.58929	2.9
378.09293	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50719	0.4
59.01379	4.0
65.03959	0.7
67.48409	0.4
69.03464	0.6
70.86530	0.8
71.01377	1.9
73.02950	0.5
81.03448	1.3
82.43403	0.4
83.05055	2.1
83.46718	0.4
85.02946	0.9
89.02441	0.5
89.03956	0.8
93.03459	32.8
94.03793	1.2
101.02464	1.2
105.03446	0.5
107.05029	3.5
108.02186	0.6
109.02947	5.4
111.04524	4.9
113.02451	0.5
117.03449	2.3
121.02983	2.2
123.04510	1.1
128.17162	0.4
132.02177	1.1
133.02963	20.6
134.03787	7.4
135.04527	100.0
136.04863	4.7
137.02448	16.6
138.02777	0.9
138.05577	0.5
139.04086	0.5
141.07059	0.7
146.03755	0.5
147.04556	1.1
149.02448	3.7
150.03200	1.3
151.04019	0.9
155.03516	5.1
159.04492	3.1
161.02444	84.2
162.02786	4.8
164.04919	0.5
165.05568	1.0
165.07066	0.5
173.06039	1.1
173.08183	1.5
174.06778	1.4
177.01973	0.7
178.02652	0.5
179.03497	53.0
180.03844	3.0
181.06602	0.8
183.08144	0.9
185.06067	4.2
186.06393	0.4
193.06595	2.3
195.06599	0.9
196.05283	0.5
196.75604	0.4
199.07765	0.6
200.08427	0.4
201.09187	0.8
203.03511	0.9
209.06064	4.6
210.06758	1.3
211.07643	20.3
212.07948	1.6
213.05534	0.6
227.07195	0.5
229.05057	1.0
229.08614	4.1
255.06615	11.4
256.07062	1.0
273.07675	25.3
274.07941	2.3
299.05627	1.8
310.46033	0.4
314.11557	1.1
317.03110	0.7
317.06653	14.4
318.06903	1.5
329.13989	3.9
335.07596	0.7
377.08768	3.9
377.13013	0.6
377.18094	3.5
378.09360	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.0
56.43748	0.6
57.03463	1.0
58.99604	2.0
59.01371	4.2
61.98830	0.8
66.03484	1.9
71.01385	2.1
71.05030	4.2
71.70515	0.6
80.05049	4.9
82.02984	13.4
82.03431	1.1
83.01385	7.2
83.05029	4.4
85.02923	0.9
86.02492	2.3
96.04553	5.9
96.96036	0.9
98.02475	32.9
98.06104	7.0
99.00908	1.7
99.92587	1.2
101.02464	0.8
108.04556	24.1
113.09756	2.1
115.92108	1.1
116.92922	1.6
124.04039	16.8
126.05612	15.1
127.00372	3.8
133.01424	1.5
133.02972	0.9
135.04521	2.1
142.03305	1.3
142.05098	3.3
147.04604	0.7
152.03531	31.2
152.17906	0.6
159.08458	2.2
161.10057	95.5
162.10405	3.8
168.03026	16.8
170.04593	11.9
173.06085	0.7
194.11191	0.7
196.02509	100.0
197.02794	4.5
214.03546	5.9
231.10675	1.3
248.13321	1.6
259.09937	0.8
260.10132	1.2
270.15219	0.8
312.77557	0.7
314.14325	2.6
330.13721	3.3
332.95584	0.8
341.11002	0.7
358.13300	14.8
359.02139	0.7
359.13565	1.5
361.72360	0.6
375.27441	1.3
376.14340	8.4
376.27628	2.8
377.21454	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83104	0.9
55.01881	1.5
55.75219	0.8
58.99614	1.1
59.01370	3.6
66.03496	1.8
66.33977	0.9
71.01387	2.4
71.05029	4.6
71.52795	1.2
74.02468	7.0
79.95699	0.8
80.05058	5.7
81.03472	1.0
82.02988	15.0
83.01393	5.8
83.05021	5.2
84.22055	0.7
84.71078	0.7
85.69534	1.0
86.02496	1.8
96.04541	6.4
98.02477	32.8
98.06100	5.7
99.00873	1.4
99.92610	0.8
101.02464	0.9
108.04552	22.5
109.02978	0.8
109.62402	0.9
113.09751	1.8
115.92107	1.0
116.05076	2.2
116.92873	1.4
124.04045	17.3
126.05614	12.3
127.00375	4.4
129.10329	6.5
135.04492	1.3
142.03319	1.9
142.05107	2.9
152.03535	29.4
153.03842	2.0
159.08478	2.5
160.07764	1.1
161.10057	100.0
162.10376	4.0
168.03011	14.8
170.04591	11.2
171.11378	3.0
196.02502	99.7
197.02834	3.8
214.03531	5.4
215.12791	0.9
222.61229	1.0
232.11040	0.8
242.11859	2.8
248.13278	1.6
270.15271	1.0
301.15576	1.2
309.39810	0.8
314.14334	2.5
330.13858	4.1
358.13324	17.9
359.13629	1.5
376.14261	7.2
376.18732	8.6
376.27261	1.0
377.03305	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2903
Annotation	7alpha-Hydroxy-5alpha-cholan-24-oic acid
Peak:m/z	Relative Intensity
50.70401	0.4
57.03439	0.4
57.73314	0.4
59.01375	1.4
60.99303	1.2
69.03449	1.3
69.29034	3.4
78.95926	0.4
94.98943	0.4
172.66422	0.4
176.76366	0.4
299.23782	7.4
300.24075	0.5
313.21573	1.4
315.26904	11.9
316.27328	1.5
331.30020	6.1
332.30515	0.7
334.12674	0.4
357.28043	4.6
358.28192	0.6
359.25812	1.1
375.29016	100.0
376.29330	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2904
Annotation	7beta-Hydroxy-5beta-cholan-24-oic acid
Peak:m/z	Relative Intensity
56.62360	0.3
57.34767	0.3
61.98849	0.3
65.01627	0.3
69.60840	2.2
78.95897	0.5
98.19785	0.4
125.89150	0.4
273.54770	0.4
313.25360	1.1
329.28485	18.0
330.28732	2.4
331.30066	5.3
332.30484	0.9
347.29196	0.7
375.29025	100.0
376.29364	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	376.0392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48523	0.5
55.94313	0.5
59.01377	4.4
61.98837	1.0
67.94897	0.5
69.57716	1.2
69.58128	1.7
71.01382	2.7
79.95755	4.0
80.96522	5.1
82.12843	0.5
85.02959	1.1
89.02455	1.0
92.02557	1.0
93.03449	1.2
96.96012	60.4
99.00837	0.5
101.02470	0.8
107.03635	5.0
109.02960	1.6
113.02429	0.9
114.93457	0.5
115.00385	1.0
119.03518	0.6
121.02988	0.6
123.04533	1.1
133.01447	1.9
133.02965	1.2
134.04730	100.0
135.04478	22.3
136.99146	3.0
138.97081	3.4
141.33946	0.5
145.03020	0.5
148.04109	0.5
149.02524	0.9
151.03999	1.4
152.04369	0.5
154.89429	0.5
155.07108	0.8
161.02417	3.0
165.05518	0.5
179.03514	6.3
182.97896	4.2
211.07680	0.8
215.03290	0.8
227.06955	0.8
240.98479	7.8
241.09781	1.2
253.09758	1.2
268.06946	1.1
271.06000	0.4
283.09302	0.7
298.11633	1.4
328.12759	2.1
341.08350	3.9
359.08997	1.1
369.98590	0.5
376.03882	54.0
377.04092	3.4
377.09430	1.6
377.14404	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
61.32071	0.4
64.40568	0.4
66.90606	0.4
69.92210	2.1
74.99065	3.0
80.61364	0.5
93.00175	0.6
109.96645	0.4
122.93498	0.5
143.05353	1.1
149.00923	1.0
159.08466	12.4
161.06386	2.7
173.85590	0.4
176.79329	0.5
192.98123	0.8
209.01216	2.9
217.07205	1.3
263.99783	0.4
275.06027	1.5
276.06274	0.5
277.07492	3.1
289.07492	1.8
291.09082	95.3
292.09204	12.9
309.10104	1.0
343.12195	0.6
357.13794	1.9
359.15326	100.0
360.15503	17.1
372.58542	0.5
375.18466	5.1
376.18634	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29421	0.6
55.01876	0.6
57.03434	0.5
58.05805	0.5
58.92739	0.6
59.01380	100.0
60.01714	0.9
69.27896	5.8
71.01382	5.7
73.02967	1.6
83.01344	0.5
85.02956	2.9
89.02477	0.9
99.00887	0.8
101.02439	4.2
106.89576	0.5
107.28783	0.5
110.36699	0.6
113.02452	2.3
117.41749	0.5
127.33465	0.5
132.66779	0.6
146.51596	0.5
159.02927	0.6
161.04565	4.0
287.73312	0.6
315.18198	1.2
340.31430	0.5
375.23822	1.0
398.72195	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	2.6
61.38533	1.7
65.47766	1.5
69.38915	8.4
69.39319	3.7
83.62568	2.2
93.03468	2.2
117.89166	1.4
121.02962	13.8
122.03776	10.0
123.04499	1.7
133.03001	2.2
146.03767	6.0
149.02431	100.0
150.03232	56.9
151.03589	3.5
164.04779	20.5
165.05566	71.0
165.34381	1.7
166.05945	3.5
179.07161	6.8
180.04237	3.0
187.25314	1.5
195.06622	28.2
207.17708	1.8
268.07413	2.0
269.08063	1.8
283.09671	2.6
312.10007	20.7
313.10416	3.7
316.98615	1.6
327.12344	82.1
328.12799	9.4
339.39886	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	375.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	10.1
61.23554	1.3
61.98804	1.3
70.65598	4.0
71.01379	12.0
78.95910	1.8
79.45067	1.3
80.91703	1.7
81.48160	1.8
96.96039	1.9
99.92547	1.5
109.97482	1.5
135.04530	1.5
174.68977	1.4
177.09195	5.6
190.09952	1.8
192.11520	5.8
205.12230	3.1
207.13841	2.2
215.10674	2.0
220.14667	36.5
221.15459	100.0
222.15817	8.1
236.10522	87.6
236.14052	1.8
237.10866	5.5
273.49399	1.5
291.09116	2.5
293.17578	38.9
294.17764	4.6
307.31857	1.5
318.09579	3.1
359.15234	4.9
375.17819	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	375.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53154	0.9
59.01372	0.8
61.98819	0.9
70.98180	1.4
72.37871	0.8
74.99079	3.4
78.95934	0.7
93.00134	0.8
121.13030	0.7
125.97481	0.7
142.72137	0.9
143.05327	1.0
159.08458	13.4
161.06387	2.2
203.20018	0.8
209.01202	2.1
217.07076	1.1
277.07538	2.0
289.07529	2.7
291.09100	100.0
292.09277	12.8
301.62317	0.9
309.09991	0.8
352.66827	0.8
357.13855	1.5
359.15344	98.8
360.15509	16.8
375.18500	6.3
375.29019	1.0
376.18677	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70324	0.6
57.03448	0.8
59.01376	12.8
61.98824	1.0
69.74203	4.1
71.01007	1.3
71.01382	20.9
72.99306	1.1
73.02935	1.9
76.05339	0.7
85.02933	0.8
85.35770	0.6
88.56287	0.7
89.02438	2.2
93.03469	1.3
96.96012	1.3
101.02437	1.7
113.02470	1.3
115.00376	14.8
116.00667	0.7
119.43363	0.7
120.99635	1.3
133.01437	13.8
134.03702	1.4
135.04546	4.3
145.02879	1.0
151.11293	2.0
158.03737	4.8
159.04504	1.5
160.05222	1.0
161.02466	6.4
162.02867	0.9
172.05305	21.3
172.48184	0.7
173.06068	4.1
174.03207	1.0
186.06816	5.0
195.10283	1.6
202.02795	1.7
215.10754	48.2
216.04305	2.4
216.11073	2.7
233.11835	13.3
239.07175	1.6
240.07907	2.2
255.10187	0.9
259.09729	100.0
260.10059	10.9
295.52570	0.8
299.09204	4.4
303.21848	3.9
309.07303	0.8
375.19849	1.5
375.27496	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	375.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25779	0.7
57.03453	1.0
59.01378	37.9
60.56125	0.7
67.26014	0.7
68.05604	0.8
69.22394	6.5
71.01379	24.2
71.05042	1.5
72.99316	1.1
73.02948	4.3
74.93888	0.8
80.21500	0.7
83.01374	2.0
85.02940	2.7
85.42931	0.7
89.02447	0.8
101.02441	4.4
107.05045	0.8
109.74110	0.8
113.02444	2.1
114.93408	0.8
115.00361	14.9
117.62305	0.7
119.36449	0.7
127.11315	4.2
133.01430	11.6
134.03732	1.1
135.04529	5.1
145.03038	1.3
155.10887	0.8
158.03716	4.2
159.04475	1.3
160.05307	1.5
161.02451	5.3
161.04521	1.4
161.10034	3.3
162.03067	1.0
171.10269	14.6
172.05283	22.0
173.06081	3.4
174.03125	1.1
177.05553	1.5
186.06857	4.1
192.43646	0.9
196.02492	2.6
202.02676	1.2
215.10757	50.3
216.04268	2.6
216.11203	3.7
232.10768	0.8
233.11836	13.3
234.12100	1.0
259.09738	100.0
259.19064	1.8
260.10059	9.5
375.18820	4.1
375.27567	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59295	0.6
57.03437	0.8
59.01162	0.6
59.01381	7.9
60.33313	0.6
61.33303	0.7
61.98806	0.8
63.12761	0.6
69.21447	7.4
71.01380	6.4
75.00853	0.8
80.05059	1.6
80.09781	0.7
82.50142	0.6
82.82970	0.8
83.01372	1.2
85.02971	2.6
89.02461	3.8
93.03453	1.5
94.06625	36.1
95.06966	1.2
99.00922	0.7
101.02457	3.2
106.06628	8.2
107.05050	1.4
108.04622	0.9
109.02975	2.8
109.06643	0.8
110.06135	1.0
113.02465	3.6
115.00387	1.4
118.40199	0.7
119.03459	0.8
121.02982	0.9
122.06108	2.1
123.04549	1.7
124.07685	36.3
125.08067	0.9
133.01430	0.7
133.02957	1.1
134.06111	3.3
135.04523	2.9
136.01672	1.7
137.02481	1.1
138.05582	7.2
147.04510	1.2
149.02417	2.7
149.06032	1.3
150.03168	2.0
150.05569	0.8
151.04010	9.9
151.07748	0.8
152.07166	2.8
160.04045	0.9
161.02414	1.3
164.07147	1.5
165.05605	1.7
168.06659	100.0
169.07062	4.1
169.08406	0.9
171.06673	0.9
175.04016	1.0
177.01938	1.5
178.05046	4.6
179.03403	1.0
180.06680	1.2
182.08223	13.6
194.04634	1.0
195.06642	1.3
210.07735	11.1
212.05629	13.7
213.07709	1.8
222.04059	3.1
228.04268	1.1
243.06609	2.1
254.06627	1.9
263.75510	0.9
267.06656	3.0
282.08902	3.3
297.11279	6.2
312.10022	0.8
314.08905	2.2
327.12390	4.7
345.13376	0.7
374.07205	8.9
374.11014	11.1
375.07391	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41530	0.2
57.77388	0.2
58.60686	0.2
59.01372	0.6
61.98824	0.3
64.06748	0.2
71.50916	0.2
100.07699	0.3
101.06113	1.4
103.91283	0.2
124.07676	0.6
135.04573	0.2
165.10280	0.2
187.07545	0.2
188.07990	0.3
189.10362	0.5
224.92923	0.2
232.10896	10.6
233.11285	0.7
238.41165	0.2
260.10303	0.2
265.38284	0.2
273.16235	0.2
274.15723	0.3
289.17911	1.6
290.18732	2.8
291.19113	0.3
316.16626	1.9
318.18192	0.5
358.21335	1.1
374.24454	100.0
375.24799	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	373.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64960	0.3
57.03447	5.4
58.00589	1.0
59.01381	4.5
60.22539	0.4
60.75424	0.3
65.96872	0.3
69.03458	2.0
71.01383	4.3
71.52726	0.6
73.02954	1.4
78.61914	0.3
78.65692	0.3
83.05032	0.5
85.02950	0.6
87.00854	0.4
89.02448	1.3
93.02332	0.3
96.96024	0.9
97.02932	0.5
97.06592	1.0
101.02448	0.8
109.06608	0.8
111.08163	7.7
112.08514	0.4
113.02467	0.5
113.09743	2.3
115.00317	0.4
123.08195	0.6
125.09705	0.5
127.11290	10.0
128.11588	0.4
129.63957	0.3
130.04210	0.6
133.02946	0.5
134.03749	0.5
134.57471	0.3
135.04509	1.0
137.09712	1.2
138.97305	0.4
139.11310	0.8
141.09253	0.6
144.44887	0.3
146.03758	0.6
147.08163	0.5
153.09225	3.9
153.12791	0.5
155.10829	1.6
157.12331	0.7
158.03719	3.0
159.04535	2.2
159.08151	0.9
161.04536	0.7
161.05991	0.5
165.09242	1.2
165.12833	0.4
167.12137	0.3
169.12299	0.3
171.10271	100.0
171.13766	3.8
172.05331	0.5
172.10590	5.4
173.06082	1.4
174.03180	0.4
174.06877	1.3
175.07599	1.2
183.10269	1.5
183.13895	0.5
185.06096	0.5
185.09592	0.5
187.04042	0.8
187.07663	8.0
188.08246	0.7
189.09178	4.2
199.07635	0.9
199.13365	0.4
201.05467	0.4
201.09453	0.3
201.11324	8.0
201.14958	15.3
202.02760	0.8
202.06343	3.0
202.11592	0.4
202.15355	1.3
203.03481	0.8
203.07132	1.6
203.10820	1.4
213.09277	1.2
214.09961	1.3
216.08005	0.4
217.08676	1.0
229.08725	0.7
229.12169	0.5
231.06764	2.4
231.10258	11.6
232.10814	1.4
257.11813	0.6
273.15012	0.7
275.09229	0.6
276.10007	0.6
283.13486	0.5
283.16946	0.5
285.14899	0.5
300.70819	0.3
301.14523	0.3
311.16489	0.8
329.13913	4.1
329.17603	1.2
330.14511	0.5
345.17059	1.0
355.24835	4.2
356.25171	0.5
373.16620	8.4
373.25949	22.3
374.16870	1.0
374.26364	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2592
Annotation	oscr#24
Peak:m/z	Relative Intensity
57.03453	2.7
59.01383	2.9
66.89460	0.3
66.91774	0.3
67.58428	0.3
69.03448	1.0
69.28059	3.3
71.01380	2.1
71.05008	1.7
73.02956	1.7
74.99078	0.4
80.96503	0.6
81.07063	0.4
82.96103	2.5
83.05033	0.6
85.02944	0.5
92.71328	0.4
95.05045	0.6
95.44419	0.3
96.96008	0.4
97.02962	1.1
97.06570	2.8
101.02432	0.5
111.08145	2.1
113.09720	1.9
121.02950	1.5
121.10226	0.7
123.08163	3.3
124.08444	0.3
125.09786	0.4
127.11281	1.4
130.04211	0.8
135.04526	1.6
137.09695	0.6
139.07668	0.4
139.11320	1.0
141.09225	1.3
141.12845	1.1
143.08659	0.5
143.24274	0.3
146.03711	0.6
149.13313	0.6
153.09209	0.8
155.10770	0.5
155.14435	0.6
157.12386	0.6
158.03758	2.5
159.04573	1.9
159.08118	1.5
160.05284	0.4
161.06126	0.5
167.10733	0.7
169.12268	0.6
171.08057	0.5
171.10271	10.2
171.13821	0.4
173.06058	1.5
174.03256	0.8
174.06795	1.4
175.07608	1.3
179.69528	0.4
185.06058	0.6
185.09866	0.5
185.11816	2.4
185.39427	0.4
187.03981	1.1
187.07648	9.1
188.01788	0.4
188.08167	0.9
189.09195	3.7
199.07663	0.8
200.08290	0.4
201.05580	0.5
201.09258	0.7
201.14937	1.5
202.02715	0.6
202.06337	2.2
203.03502	0.6
203.07088	1.5
203.10802	1.9
211.07727	0.4
211.17020	1.3
213.05626	0.4
213.09125	1.6
214.09885	0.7
215.10878	0.4
216.07841	0.5
216.13567	0.4
217.08620	0.7
227.07066	0.4
227.10796	0.5
228.11493	0.5
229.12190	0.6
231.06821	2.5
231.10242	13.3
232.07234	0.6
232.10703	1.8
239.10756	0.4
241.08679	0.6
242.32704	0.4
253.08554	0.4
255.10439	0.4
257.11826	1.0
267.06546	0.9
267.23282	1.1
268.07419	0.6
269.08261	1.6
273.07355	0.4
275.09244	0.8
276.09842	0.5
277.21777	0.6
279.23343	2.6
280.07233	0.8
281.08075	1.1
282.08701	0.4
283.09573	0.4
285.14987	1.2
295.09680	0.6
297.24332	1.5
301.11029	0.5
301.14288	0.7
311.09256	1.1
311.16409	0.8
329.13974	4.2
329.17502	0.8
340.09482	1.6
343.11810	4.2
343.24841	3.4
344.12256	0.9
345.16870	0.5
355.11810	3.4
355.15579	0.9
355.24829	1.5
371.24350	0.7
373.16666	10.2
373.25916	100.0
374.16708	1.9
374.26270	11.7
387.56699	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1868
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
55.01881	6.6
55.06455	1.0
56.02237	1.1
57.03456	5.6
58.00597	1.4
59.01379	63.3
69.03458	1.9
70.04861	5.1
70.71703	1.0
71.01381	81.6
72.01743	1.6
72.99303	2.5
73.02948	26.7
74.99100	2.4
75.00880	1.1
83.01390	12.9
84.02170	1.7
85.02945	36.5
86.00145	1.1
87.00887	3.0
89.02440	13.2
95.01381	6.2
96.96055	1.4
97.02940	5.7
97.06578	1.9
98.20597	1.2
99.00887	10.1
101.02444	44.3
101.03106	2.3
113.02452	29.7
115.00394	2.2
118.98090	11.3
119.03499	4.7
125.02472	1.7
129.01952	2.0
133.01486	3.6
133.03026	1.2
135.04521	4.5
143.03519	2.1
159.03027	4.4
161.04567	12.1
187.07646	2.9
189.09264	1.4
202.06299	1.4
203.10756	1.4
211.13434	2.7
213.09219	3.7
229.12393	2.5
231.10199	6.3
232.11050	2.3
237.91844	1.2
239.10974	1.6
255.13834	1.6
257.08224	3.4
275.13007	1.4
285.14969	1.3
299.18851	1.6
311.16617	1.8
329.14224	2.3
329.17624	2.2
331.17560	2.0
341.06717	1.9
355.11957	2.0
373.18777	100.0
373.25592	9.8
374.19055	9.5
376.00473	1.0
397.81931	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1866
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
58.00581	0.5
59.01379	100.0
67.39373	0.6
68.99789	0.5
69.39706	4.2
71.01382	7.5
73.02947	2.3
83.01417	0.6
85.02982	1.9
89.02449	3.3
101.02444	2.8
108.02207	1.2
109.02963	1.2
113.02478	1.9
115.00372	1.1
119.03516	1.1
121.02945	0.5
123.00899	1.5
123.04532	1.1
124.01711	0.9
133.01440	0.9
135.04532	2.2
136.01682	0.6
147.04535	1.4
151.04039	0.9
161.02457	0.5
161.04568	0.9
162.03288	0.5
163.04021	2.6
174.03300	0.5
177.05614	1.2
179.03542	2.3
179.05653	0.7
179.07115	0.5
188.04721	1.0
193.05045	0.9
231.10410	0.6
249.16299	0.5
285.11368	0.7
285.83530	0.5
298.08582	1.8
313.07367	1.1
313.10696	5.1
325.11496	0.5
331.17853	0.6
343.12070	2.3
355.11746	0.5
358.10757	1.4
373.13116	7.4
373.18478	2.5
374.13245	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1866
Annotation	Dictamnoside N
Peak:m/z	Relative Intensity
51.28400	0.3
55.01876	1.9
57.03445	2.5
58.00593	1.0
58.54605	0.3
59.01382	24.7
66.96272	0.3
69.03448	2.8
69.63749	1.8
71.01384	22.5
71.05046	0.7
72.01724	0.4
72.99306	0.7
73.02946	4.1
75.00894	0.4
81.07079	0.5
83.01388	2.9
83.91256	0.3
85.02953	8.8
85.06596	0.3
86.00116	0.4
87.00890	1.1
89.02446	9.4
95.01389	1.8
97.02979	0.3
99.00881	2.0
101.02441	10.4
110.12622	0.3
113.02446	7.2
115.00332	0.6
119.03513	2.5
129.01952	1.4
133.01486	0.4
135.64653	0.3
139.11304	1.4
141.09235	0.6
151.11331	0.4
159.03027	0.4
161.04649	0.4
167.14389	0.4
172.05287	0.4
187.07568	0.3
193.05028	1.6
193.12358	0.9
195.13875	3.2
199.07646	0.4
203.10693	1.5
204.06122	0.3
211.13377	7.7
212.13652	0.4
213.09241	0.6
218.09442	0.4
229.08696	0.6
229.12392	0.7
230.09483	0.7
231.10219	1.5
236.27095	0.4
244.10954	0.4
247.09787	0.6
257.08191	2.1
257.11826	1.0
285.15048	0.5
300.13702	1.0
301.17984	0.4
311.16476	0.4
329.14075	0.5
329.17538	1.7
355.17664	1.1
373.18719	100.0
374.19122	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44254	0.8
55.59838	0.9
60.84247	1.1
68.46236	0.9
69.37355	7.5
72.90360	0.8
92.76368	0.9
97.06602	6.4
113.06079	1.2
130.04242	7.1
131.05040	4.8
135.04547	2.3
143.08665	1.5
144.05815	4.0
145.02934	1.4
145.70827	0.8
146.03746	2.5
147.04460	1.1
151.07684	1.4
152.37131	0.9
158.03732	21.6
159.04514	28.3
159.08142	17.1
160.05263	3.8
160.08459	1.8
161.06100	4.2
161.09712	2.3
163.04054	0.9
163.07634	2.0
171.08093	1.5
171.10149	1.6
172.05287	3.7
173.06076	10.7
173.09692	2.3
174.03191	5.9
174.06844	8.2
175.03995	1.0
175.07643	8.4
176.08360	2.2
185.06087	4.0
185.09709	1.7
186.06856	1.0
187.04152	4.8
187.07646	100.0
188.04799	1.0
188.08200	8.4
189.05524	1.7
189.09216	40.2
190.09578	2.9
198.06783	1.3
199.07692	6.0
200.08437	0.8
201.05562	2.9
202.02730	15.3
202.06349	20.0
203.03494	22.0
203.07103	14.5
203.10748	11.1
204.04007	1.5
204.07823	0.9
212.08435	2.8
213.09207	8.1
214.10004	6.3
215.10506	1.5
216.07904	3.9
217.08716	11.2
228.11659	1.0
229.08730	1.3
230.09435	1.8
231.06683	42.4
231.10240	80.8
232.07359	14.6
232.10832	10.2
233.07961	2.5
275.09317	8.8
276.10062	15.0
277.10593	2.0
283.13330	1.3
329.13919	50.8
330.14130	4.7
345.16763	1.1
373.16534	35.8
374.16904	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	373.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83508	1.7
57.03429	2.9
59.01376	19.1
71.01372	12.8
71.50384	1.7
80.52533	1.6
83.05022	2.6
85.02932	3.2
97.02930	4.5
97.06578	5.0
98.19933	3.8
99.00843	2.6
101.02420	2.2
108.02180	2.1
109.02943	2.2
111.08125	2.4
115.00294	3.1
121.02941	22.5
123.04533	3.6
133.01389	2.4
135.04485	7.9
145.02927	7.0
146.03767	2.0
147.04504	4.1
149.06006	2.1
158.03665	2.9
159.04414	2.8
161.06093	2.6
162.06795	2.4
173.06046	3.8
174.06824	3.6
175.07594	4.4
185.05983	2.5
187.07663	10.7
189.09164	7.1
196.02473	3.7
197.05995	2.1
199.07574	3.3
202.06259	6.2
203.10780	3.7
209.05888	2.8
209.09822	1.9
211.07684	4.1
211.13367	5.1
212.08041	2.1
213.09166	7.2
215.10678	2.6
223.07588	2.3
224.04758	2.2
224.08260	2.0
225.05527	3.0
225.09196	4.4
226.06367	2.4
227.07065	2.3
227.10661	3.5
228.97603	2.4
229.08737	3.0
229.12294	4.4
231.06583	2.5
231.10269	25.6
237.05521	3.1
237.07581	2.1
238.06290	2.4
239.07028	7.2
239.10736	2.9
240.04195	2.0
241.05014	5.2
241.08627	4.0
243.10188	2.3
244.10997	2.3
251.07178	2.6
253.05051	4.8
253.08629	8.7
255.06523	9.9
255.10249	4.2
255.13916	2.3
257.08215	15.1
257.11771	4.6
263.07156	3.1
264.07550	4.6
265.08560	4.2
267.06598	27.4
267.09686	3.1
268.07278	13.2
269.08176	45.8
270.08524	2.4
272.10461	3.0
279.10129	2.6
280.07465	15.2
281.08157	20.6
282.08609	2.9
283.09760	23.9
283.12985	3.8
284.10394	9.0
285.15021	4.6
295.09732	22.0
296.10278	5.5
299.09338	3.4
301.14517	4.2
301.17828	2.4
311.09348	21.3
311.12781	3.9
311.16415	4.6
312.09671	3.4
323.09030	2.8
325.07190	4.5
328.09604	10.1
329.13840	6.1
329.17529	6.9
340.09473	38.4
341.09885	4.6
343.11832	100.0
344.12039	11.7
345.16992	2.3
355.11859	87.9
356.12192	11.6
373.16269	54.7
373.25861	37.4
374.16791	5.9
374.26224	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	373.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05874	2.4
58.99592	1.9
59.01376	31.0
61.85917	2.1
69.78027	5.7
69.78416	4.4
71.01382	21.3
77.00508	1.8
80.96499	2.6
85.02967	3.7
93.03434	3.3
97.02956	1.9
97.06549	2.7
98.20744	2.4
99.64176	1.8
101.02446	2.2
102.98589	4.4
108.02151	5.6
113.02408	3.4
115.00379	15.1
121.02952	23.7
123.04527	6.0
133.01450	13.1
134.03755	2.9
135.04520	8.2
135.11853	2.6
145.02927	5.3
147.04491	6.0
149.06042	2.6
152.68799	2.0
153.02057	2.5
159.04549	2.7
167.10706	5.0
171.04489	6.1
172.05263	6.2
177.05656	2.9
183.04475	2.6
184.05280	5.0
187.03993	3.3
187.07607	7.1
193.05038	7.2
194.05727	2.3
197.06075	7.3
198.06776	6.8
209.06044	3.0
211.09747	7.6
213.09175	36.8
214.09569	3.2
225.05428	3.0
225.09273	3.5
227.07004	4.0
231.10255	51.3
232.10515	2.8
237.05458	5.2
237.07655	9.7
238.06416	3.2
239.07140	4.9
241.04977	3.1
241.08751	3.2
252.07823	4.4
253.04980	2.6
253.08591	5.3
254.05724	3.2
255.06606	8.1
257.08182	91.7
258.08441	7.2
263.07227	4.5
264.07809	2.6
265.08612	4.1
266.05820	2.9
267.06619	24.9
267.09326	3.3
268.07294	13.6
269.08148	39.3
270.08411	4.7
274.49982	2.3
279.10541	2.6
280.07388	14.3
281.08066	22.9
282.82565	2.2
283.09753	21.2
284.10370	10.5
285.14911	2.9
295.06577	2.8
295.09644	17.8
296.10364	5.8
299.12671	3.3
301.14285	2.7
311.09256	20.4
311.16455	3.2
312.09723	3.2
325.07239	4.7
328.09521	12.1
329.10269	2.7
329.13901	3.3
331.12067	5.0
340.09485	41.8
341.09702	3.1
343.11835	100.0
344.12146	12.6
355.11841	83.9
356.12097	11.1
373.12451	3.1
373.16757	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	373.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	32.0
71.01382	29.2
71.51605	1.8
85.02956	1.7
89.02444	2.7
97.06600	1.6
101.02437	2.7
102.98595	2.8
108.02170	3.0
113.02476	2.1
115.00367	19.6
116.15924	1.5
121.02943	10.3
121.42120	1.5
123.04537	2.0
128.78952	1.6
130.82199	1.4
133.01419	18.5
135.04538	4.2
136.04796	1.9
145.02829	1.9
147.04491	2.1
151.04042	1.7
159.04501	2.0
167.10753	5.4
171.04532	4.3
172.05252	5.4
173.05925	1.6
183.04449	1.7
184.05305	8.4
185.06061	4.1
187.04024	12.7
187.07620	4.2
193.05112	2.1
195.08141	1.8
197.06071	15.7
198.06839	9.2
211.07797	2.8
211.09741	8.9
213.09184	61.4
214.09602	4.0
215.10629	1.9
225.05614	2.6
227.07253	1.9
229.12305	1.6
231.10252	60.3
232.10576	4.4
237.07693	3.5
239.07060	2.9
241.05038	1.7
245.11757	1.8
251.06795	1.8
253.04919	2.2
253.08647	3.4
255.06621	3.5
257.08176	100.0
258.08563	9.5
267.06656	13.4
267.09387	2.3
268.07242	6.5
269.08151	20.5
270.08685	3.1
280.07382	7.2
281.08167	9.5
283.09860	11.0
284.10529	3.2
285.14847	2.6
295.09705	8.8
296.10358	2.1
311.09195	7.3
328.09607	6.4
340.09528	17.8
343.11835	46.7
344.12280	6.5
355.11859	36.8
356.12210	2.9
373.16769	10.4
373.25876	2.1
374.16614	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	12.5
59.78159	1.4
71.01389	4.8
71.52462	2.1
85.02951	1.7
103.00287	1.5
107.05001	3.8
109.02966	8.2
109.46594	1.4
110.91610	1.5
117.56487	1.3
118.02979	3.4
118.93408	1.3
120.04535	1.5
121.02965	2.9
123.04479	1.3
130.02948	1.5
133.01448	1.9
133.02951	2.4
134.03716	4.7
135.04535	100.0
136.04852	5.8
137.02472	1.7
137.06081	5.2
139.04021	2.2
139.46503	1.4
146.02435	6.5
147.03268	12.8
148.04053	62.7
149.02426	13.8
149.04373	3.9
150.03166	4.8
151.04001	2.2
160.05290	2.2
161.24980	1.6
167.01550	1.4
175.07664	1.8
179.03487	8.3
181.05052	5.1
183.81494	1.5
198.05539	2.1
212.07129	3.7
240.06642	2.2
250.05048	5.0
251.05495	1.8
256.06195	6.7
266.04562	5.7
268.06134	24.4
269.06351	2.7
278.11160	4.0
282.07550	2.0
310.07211	12.5
311.12949	1.7
312.05859	2.2
328.08255	69.7
329.08392	7.3
329.13803	1.5
357.12784	1.8
372.08139	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87641	1.1
59.01377	15.7
65.00328	1.6
71.01377	4.5
72.00904	4.0
74.02467	1.2
80.72041	1.0
82.03008	1.5
85.02959	1.3
85.09065	1.0
93.03463	2.7
100.00410	10.9
101.02412	1.9
105.03452	1.6
107.05022	2.6
108.02164	5.5
109.02953	7.9
117.03544	1.3
119.04987	1.0
121.02937	5.6
122.03732	7.3
123.04546	16.9
124.01691	1.3
132.02190	5.2
133.01436	1.3
133.02937	2.5
134.03743	59.7
135.04538	54.9
136.04907	1.0
137.02417	3.3
147.04491	2.9
148.04140	2.2
148.05276	15.1
149.02396	1.9
149.04858	4.0
149.06061	36.4
150.03180	1.0
150.05510	8.9
151.03979	4.5
152.07169	5.5
160.01662	31.7
160.03992	14.3
161.02415	7.2
162.03185	4.0
162.45059	1.1
163.06345	2.5
164.07097	1.6
167.03471	2.9
173.04874	1.7
174.05606	1.0
175.03993	51.9
176.03302	1.0
177.04213	1.8
177.05586	3.0
178.05092	100.0
179.03476	17.0
179.05388	5.3
189.04405	1.2
190.05090	5.3
191.05800	4.5
192.06624	3.1
193.05043	2.0
196.06178	7.4
206.08186	6.1
222.04070	49.5
223.04428	2.2
227.07036	1.2
228.04216	1.3
228.91071	1.2
236.05598	6.3
242.05768	1.3
243.06561	1.9
250.07178	8.4
251.07289	1.1
255.06583	3.4
270.08871	1.9
285.11313	4.9
310.10956	1.4
313.10400	1.4
314.07693	2.1
328.11938	13.9
329.09937	7.2
372.10867	28.5
373.08804	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	372.0427
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30924	0.5
57.97559	49.8
59.01374	3.9
68.78363	0.7
69.28664	4.1
69.29073	1.5
71.01383	4.5
71.70081	0.6
72.99293	0.5
76.55416	0.7
78.95907	1.6
79.95732	7.7
80.96510	5.6
81.03457	1.0
83.04996	0.6
85.02953	1.1
87.00879	2.2
89.02454	0.8
96.96007	73.0
97.02976	0.6
98.20606	1.1
99.00876	1.0
100.00430	1.2
100.38995	0.5
101.02432	3.8
109.02934	1.1
111.00875	1.3
113.02447	2.0
115.00373	1.0
121.02971	0.8
123.04510	1.2
125.02428	0.7
127.85699	0.7
129.01881	1.0
133.01410	0.9
134.03761	4.4
135.03029	1.1
135.04538	5.2
137.02435	1.4
138.97058	4.7
147.04543	0.7
149.06110	1.8
150.01978	1.1
150.03191	1.6
150.05609	0.7
150.97076	1.7
151.04037	1.3
160.01640	2.5
160.04086	0.8
161.02400	0.8
166.96634	1.1
167.03444	0.9
168.03926	0.8
175.03969	4.0
178.05083	7.3
179.03484	2.5
180.98000	0.7
192.04094	0.6
222.03979	3.8
238.98639	2.4
241.00229	28.7
242.00467	1.5
250.07004	0.8
255.06648	1.3
256.99701	4.5
282.94791	0.6
313.05966	100.0
314.06265	6.4
328.11829	1.2
343.11826	0.8
361.97104	0.8
371.21527	1.0
372.04233	56.7
372.21945	1.1
373.04636	4.6
373.12918	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.3
57.03446	2.1
58.00595	3.3
59.01379	100.0
60.01693	1.1
69.03454	1.4
69.39715	7.4
71.01382	55.0
72.99315	3.5
73.02946	5.5
76.04206	0.7
83.01388	4.4
83.25771	0.8
83.52065	0.9
85.02948	13.5
87.00880	3.2
89.02446	56.7
90.02789	0.9
93.07092	2.1
95.01389	3.3
99.00903	2.5
101.02445	32.2
101.03107	1.7
102.02801	1.4
113.02450	24.7
119.03497	27.1
119.08650	1.0
131.03520	1.9
143.03508	3.3
143.49646	1.0
147.11790	13.0
149.04562	1.7
158.07405	1.0
159.02977	0.9
161.04532	8.6
170.69975	0.8
178.49231	0.9
179.05638	5.5
191.10773	13.9
192.11050	0.8
209.11852	5.0
211.03928	1.4
217.01373	1.3
309.32028	0.8
371.17123	35.9
371.24194	4.3
372.17462	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
70.53445	10.8
85.02959	12.3
91.15651	3.1
174.65018	3.2
191.05609	100.0
218.23088	2.9
250.49022	3.0
292.80322	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	371.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
69.54502	22.5
69.54913	11.5
87.00844	6.3
112.28329	4.8
153.46199	5.0
191.04001	7.6
191.05615	100.0
309.03922	12.1
327.05103	11.9
341.06589	4.8
369.51486	5.6
371.04318	8.1
386.29272	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46159	0.7
55.01878	1.5
57.03446	1.8
57.24813	0.8
58.00592	3.5
59.01379	100.0
60.01718	2.0
65.87086	0.8
70.16515	0.8
70.46393	3.0
71.01382	55.3
72.01716	0.9
72.99316	4.1
73.02939	2.1
83.01382	1.7
85.02949	8.5
87.00875	3.2
89.02444	79.2
90.02804	1.4
92.27256	0.9
93.07089	1.0
95.01401	3.2
99.04521	0.8
101.02442	28.5
101.03106	1.6
113.02457	23.4
114.02805	0.9
119.03502	31.5
128.32292	0.9
131.03523	2.5
141.25949	1.1
143.03490	2.6
147.11813	12.3
149.04573	2.4
161.04507	2.7
179.05591	5.1
191.10759	12.6
192.11035	1.2
200.05508	0.8
209.11804	1.7
228.40991	0.8
281.08224	1.1
328.99622	0.9
371.17352	12.5
371.24371	3.6
372.17599	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0773
Annotation	7-Hydroxy-3,5,8-trimethoxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
59.01371	0.8
63.74515	0.3
64.23300	0.3
70.11196	1.3
71.38417	0.3
87.00867	0.3
93.03448	0.4
115.92022	0.3
119.82621	0.3
121.02957	100.0
122.03290	4.3
125.83957	0.3
149.02463	0.5
158.03770	0.6
159.04500	0.7
171.83516	0.3
172.05258	0.5
179.03500	11.4
180.03850	0.5
180.05901	0.3
181.06525	0.7
186.06833	0.7
187.07547	0.5
197.05939	0.3
200.04819	0.7
201.05571	0.4
201.09003	0.7
202.02731	0.4
204.36261	0.3
225.05547	0.6
229.08617	3.5
230.09384	0.6
239.07111	0.3
274.08459	1.1
283.06189	0.4
309.04089	0.4
327.05011	0.5
327.15900	0.7
327.25568	0.6
339.93347	0.3
371.03012	0.6
371.07697	11.1
371.15063	1.0
371.18906	0.4
372.08008	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0408
Annotation	Variegatic acid
Peak:m/z	Relative Intensity
59.01367	2.9
65.03981	0.8
65.58490	0.7
69.64774	4.9
71.01363	2.1
73.02937	0.9
81.03455	5.3
85.02980	1.0
89.03966	1.7
93.03455	2.5
104.02722	1.0
105.03445	1.8
108.02146	1.1
109.02955	9.4
117.03461	2.6
119.05010	1.1
121.02939	2.0
123.04529	12.1
133.02943	3.8
135.04527	3.2
137.02464	1.2
145.02950	2.4
146.03682	1.0
147.04526	1.9
148.01620	1.4
149.02400	3.3
149.06104	1.1
151.03999	9.8
157.02898	0.9
159.04558	1.1
161.02443	3.5
163.03990	1.9
165.05583	1.7
165.07043	1.8
166.05975	1.2
167.04909	1.2
167.07144	1.1
173.02428	1.2
176.01158	3.6
176.03293	0.7
177.01918	11.0
181.06569	2.9
185.05962	1.5
186.21814	0.8
189.01929	9.3
190.02698	1.5
193.06602	7.4
196.05243	1.5
197.05928	1.5
198.03210	1.8
199.07634	1.0
201.01920	4.7
203.03409	1.0
208.05299	0.8
209.04449	2.0
209.06116	9.9
211.03937	1.6
211.07582	2.1
212.04610	1.5
213.05511	2.7
217.01407	17.3
218.01802	1.5
219.04482	1.4
221.06105	2.1
223.04146	1.5
224.04649	1.4
225.05551	3.7
226.02740	0.9
227.03578	0.8
227.07158	1.3
235.03973	2.2
237.05565	22.4
238.05823	2.1
239.03433	1.7
239.07088	2.1
240.04204	2.4
241.04999	1.6
242.02200	1.0
247.09801	1.6
253.05052	9.6
254.05444	0.9
255.02896	0.8
255.03847	0.9
255.06609	11.8
263.03403	2.4
264.03979	1.5
265.05002	5.6
265.10693	1.2
266.02228	0.8
266.05316	0.9
267.02930	2.1
279.03113	1.4
280.03763	2.1
281.04538	16.5
282.01657	3.5
282.04755	1.5
283.06082	5.8
283.09460	1.6
284.06635	1.1
285.04025	1.4
291.02985	1.4
297.03925	1.0
298.01263	1.2
299.05585	14.4
300.05756	1.6
308.03351	4.1
309.04034	76.8
310.04340	7.9
311.05569	2.1
327.05081	100.0
328.05362	9.8
344.96811	0.9
371.03970	21.5
371.07892	4.1
371.13831	2.6
372.04340	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0408
Annotation	Norstictic acid
Peak:m/z	Relative Intensity
51.30576	0.6
54.33113	0.6
55.56630	0.6
58.05216	0.6
59.01387	1.5
62.99470	0.6
65.03969	0.7
70.41752	0.9
70.42107	2.1
70.55548	0.6
71.00418	0.6
72.99334	1.0
78.62695	0.6
81.03450	4.4
89.02478	0.7
89.03995	2.4
91.01929	0.7
93.03476	2.3
93.09242	0.7
104.02652	0.9
105.03462	0.8
109.02948	10.0
110.03291	0.7
117.03482	1.5
121.02993	0.9
123.03654	0.8
123.04531	11.0
123.05386	0.9
129.07863	0.6
133.01430	0.9
133.02957	3.3
134.03772	1.0
135.00880	0.9
135.04515	1.7
137.02522	0.7
145.02957	2.9
148.01677	0.8
149.02467	2.0
151.04016	9.7
157.03003	0.9
160.01698	0.8
161.02458	2.7
163.04042	0.8
165.07085	1.6
167.05069	1.7
169.06596	0.9
173.02466	1.6
176.01140	3.0
177.01930	11.4
181.05116	1.9
181.06595	2.7
183.04535	1.0
183.08098	0.8
185.06018	1.4
187.07758	1.0
189.01944	11.4
190.02641	1.9
191.03520	1.2
193.04987	0.7
193.06584	9.2
195.04536	1.0
196.05363	0.9
197.06052	2.2
198.03218	1.5
199.04015	0.8
201.01910	5.8
203.03519	0.8
207.04440	0.8
208.05432	1.2
209.04272	0.6
209.06075	10.6
210.06471	0.7
211.04033	2.2
211.07619	1.9
212.04770	1.1
213.01984	0.8
213.05637	1.4
214.02705	1.4
217.01411	17.7
218.01765	1.0
219.04535	0.7
221.06068	2.1
223.03918	1.0
224.04732	1.8
225.05560	4.5
226.02676	1.6
227.03532	1.2
227.07150	1.7
235.03987	2.6
236.04698	0.8
237.05573	24.5
238.02959	0.6
238.06027	2.6
239.03459	2.3
239.07135	1.4
240.04285	2.3
241.05031	2.8
247.04128	0.7
251.03412	0.8
252.04329	1.2
253.05061	12.0
254.05432	0.8
255.03543	0.8
255.06619	14.2
263.03452	2.1
264.04254	1.6
265.05078	7.2
266.02115	0.9
267.03046	0.9
268.03680	1.0
269.04492	2.8
271.06143	0.8
279.03012	1.3
280.03854	1.1
281.04565	19.6
282.01715	4.9
282.04938	1.8
283.02448	6.9
283.06097	5.9
291.03085	1.8
292.03683	1.4
295.02493	3.3
296.03192	1.1
297.04028	8.1
298.01224	1.6
298.04340	1.1
299.05582	16.1
300.05807	1.4
307.02539	1.0
308.03229	5.4
309.04041	99.6
310.04367	10.5
325.03406	1.2
327.05093	100.0
328.02014	1.1
328.05511	9.5
349.13336	0.7
353.03061	2.2
371.04044	54.9
372.04410	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	369.2199
Annotation	Aspidocarpine
Peak:m/z	Relative Intensity
59.01372	0.2
62.96389	0.3
69.31056	0.8
69.31481	0.8
74.11399	0.2
78.95905	100.0
91.46729	0.2
95.96193	0.9
96.96963	35.8
118.00495	0.2
311.16992	0.3
369.21979	13.4
370.22272	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.7
70.84605	0.5
71.11805	0.2
79.95770	0.9
80.96517	100.0
81.96451	0.4
88.93473	0.2
99.71149	0.2
121.02914	0.3
137.42574	0.2
141.59306	0.2
146.03723	0.2
186.02299	25.2
187.02606	0.9
240.04150	0.3
253.08525	0.2
271.07571	24.4
272.07916	2.1
281.08228	1.3
285.09128	0.7
308.16742	0.2
311.09235	0.2
341.10202	0.6
356.12643	0.7
370.14392	16.5
371.10486	0.3
371.14951	3.9
371.24619	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.14
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.33901	1.5
61.98830	3.7
71.01384	51.7
71.50809	2.4
71.51211	2.0
72.99309	2.3
73.02946	3.6
75.00869	2.9
78.95895	2.9
82.87374	1.7
83.01383	2.0
85.02956	6.5
87.00884	3.9
91.65475	1.6
93.03461	2.9
99.00930	1.7
101.02447	8.2
102.58633	1.8
104.58952	1.5
113.02451	3.9
115.00385	10.7
121.02933	2.6
121.06600	1.7
123.04517	4.9
133.01451	12.2
133.05077	57.4
135.02980	6.9
135.04529	5.3
147.04510	5.8
149.02420	5.6
151.03979	7.1
159.06647	2.0
161.02443	3.7
161.04546	6.1
163.04033	8.7
165.01947	2.9
165.05598	13.4
175.04022	1.7
177.01959	2.3
179.03459	4.4
181.06668	2.2
187.06139	7.1
197.06071	2.9
201.01907	4.1
203.01091	5.8
204.02983	2.3
205.05078	2.8
209.06036	3.5
216.99124	1.7
217.01318	1.8
223.04030	3.2
224.04747	2.6
225.05627	4.9
229.01340	2.3
237.07658	2.5
238.02686	3.6
241.04991	2.6
249.09747	11.2
251.03444	4.4
253.05074	15.9
269.04468	3.3
277.09277	19.4
278.09521	2.5
279.02972	3.0
281.06848	3.5
282.01584	2.2
294.07773	2.2
295.02676	2.2
297.04138	11.3
307.02423	6.2
311.07861	2.0
325.03540	32.3
325.06985	1.8
326.03839	2.4
369.02454	13.1
369.06445	2.4
370.09128	4.4
373.17880	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.8
69.29655	5.8
71.01386	0.8
79.05544	1.2
81.03449	3.1
95.05025	0.8
97.06606	1.4
98.20845	0.7
102.25084	0.7
105.03464	0.8
108.02172	2.1
109.02960	3.9
121.02982	0.9
123.04532	40.1
124.04892	1.0
125.02457	0.9
133.01500	0.8
133.02968	1.9
134.03551	0.6
135.04520	1.1
137.02448	7.1
137.06091	5.7
149.02444	1.3
150.03210	1.4
151.04008	100.0
152.04643	6.1
153.05408	0.7
162.06866	1.9
165.05603	1.1
175.16367	0.7
177.01947	4.0
177.09270	1.9
178.02710	2.8
179.03490	0.8
195.02975	11.4
196.03755	10.0
209.04489	0.8
218.69989	0.8
231.10187	0.7
249.11272	1.0
275.09222	0.9
293.10312	9.3
325.12915	43.4
326.13260	4.6
369.22873	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.7
60.38297	0.7
62.78008	0.7
69.29909	5.2
69.30315	1.9
71.01375	6.1
73.02959	1.5
81.03450	2.9
89.02452	1.7
97.06592	2.1
98.20621	1.1
101.02415	1.4
105.03443	1.0
108.02180	2.2
109.02924	2.3
113.02415	1.9
117.03470	4.9
119.03522	0.8
119.05013	3.8
121.02940	2.7
122.03788	0.8
123.04527	38.9
124.04884	0.8
125.02474	1.4
133.02957	2.0
134.03740	1.2
135.04529	2.0
136.05217	0.8
137.02412	5.3
137.06050	2.2
145.02942	6.2
150.03172	1.0
151.04005	100.0
152.04530	5.8
161.06017	1.0
162.03249	1.1
162.06786	2.3
163.04031	2.5
165.05560	2.6
170.10536	0.8
177.01941	5.7
177.09164	3.3
178.02696	1.9
179.07092	0.9
181.31329	0.8
195.02994	7.1
196.03754	7.9
197.04343	0.9
205.04953	1.5
217.60988	0.8
221.00974	0.8
227.03467	10.0
228.03851	2.3
249.11380	1.0
252.83025	0.9
255.00517	1.3
255.02983	14.3
256.03412	1.2
284.00336	1.5
284.03238	18.2
285.03763	3.2
293.10275	8.4
309.04001	1.9
315.79764	0.8
322.00198	0.8
325.12891	54.1
326.13400	5.4
369.09634	6.2
369.15668	5.5
369.22791	2.9
369.59116	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	369.119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64895	0.4
58.78783	0.4
59.01379	5.1
61.98804	0.3
69.41063	1.5
69.41490	1.0
71.01382	2.4
73.02951	0.5
85.02935	0.5
89.27222	0.3
91.05528	0.7
93.03477	0.8
101.02503	0.5
101.03949	0.6
103.05589	0.5
108.02176	0.4
115.00386	1.1
117.03473	0.6
119.05035	7.7
119.05836	0.8
121.06622	0.7
128.62686	0.4
129.03470	10.2
130.04205	1.7
133.01491	0.8
133.02974	0.5
135.04549	1.0
145.02936	0.7
146.03758	1.7
147.04524	55.7
148.04890	1.9
163.04012	0.6
165.05571	100.0
166.05931	4.2
173.02429	0.9
209.02632	0.5
253.05092	0.8
281.04501	0.4
297.04095	0.5
325.03525	0.9
325.07098	0.8
326.10403	0.6
369.06363	0.4
369.11966	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	369.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32060	0.3
57.67843	0.3
59.01377	5.1
60.62095	0.3
69.45619	2.5
71.01384	2.5
73.02969	0.4
85.02950	0.4
91.05560	0.6
93.03448	0.9
98.19834	0.3
101.03946	0.5
109.02955	0.4
112.03991	0.3
115.00352	0.9
117.03432	0.4
119.04202	0.3
119.05021	6.2
120.05385	0.4
121.06568	0.8
129.03471	9.9
130.04318	2.0
133.01434	0.9
133.02919	0.4
135.03073	0.4
135.04529	1.0
145.02966	1.1
146.03746	2.4
147.04518	52.5
148.04881	2.6
153.61501	0.3
161.05948	0.3
163.04022	0.5
165.05565	100.0
166.05916	4.6
173.02376	0.5
175.02557	1.1
176.03355	0.4
190.05038	0.6
207.06790	0.5
216.73337	0.3
225.05533	0.4
226.02417	0.5
235.07800	0.4
253.04916	0.5
279.03101	0.4
325.03519	0.5
326.10300	0.9
327.10443	0.4
369.06174	0.7
369.11856	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0461
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68365	2.2
59.01388	3.5
71.01382	8.3
72.99306	3.1
73.02940	8.6
93.03416	2.5
105.03480	2.8
109.02917	2.7
115.00378	14.9
115.81824	2.1
119.05006	3.2
121.02933	3.4
123.04485	2.1
133.01431	27.3
133.02905	5.0
133.06598	17.0
134.03734	2.9
135.04535	31.3
137.02539	2.3
138.37404	2.4
147.04494	3.3
149.02477	5.4
149.06117	5.7
151.04015	6.2
161.02455	5.9
161.06081	9.1
163.04015	100.0
164.04358	5.3
165.05643	10.3
167.03497	2.7
170.96924	2.0
177.01900	6.4
177.05577	8.4
179.03532	12.0
187.04051	2.9
191.05502	2.8
193.04988	2.8
196.49507	2.3
201.01923	2.3
203.01167	7.5
205.03352	3.8
205.05078	33.8
205.08545	5.1
209.04440	2.9
216.99084	9.8
217.01213	2.4
223.04463	6.2
231.02965	5.3
237.05576	3.6
237.07729	30.2
238.02734	4.3
249.04042	9.3
249.11345	5.2
250.78378	2.1
252.04169	2.3
253.05026	9.3
263.05774	3.2
279.03119	2.2
281.04016	3.8
281.06720	46.3
282.07104	4.8
292.19437	2.3
297.04025	6.5
307.02420	2.5
325.03543	14.3
325.06796	4.7
333.00177	4.8
369.02234	4.9
369.06427	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	369.0463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	4.6
67.01866	1.5
69.79818	4.3
69.80222	2.9
69.90527	1.4
71.01364	3.4
71.68940	1.2
73.02950	5.4
90.23993	1.3
105.03497	1.5
105.06985	1.7
109.29343	1.4
116.83247	1.3
117.07114	3.1
123.04517	1.7
132.02162	2.3
133.02925	2.3
133.06606	14.2
135.04523	17.6
147.04446	1.7
149.02403	4.0
149.06041	2.9
151.03998	3.6
159.04503	1.9
161.02354	1.6
161.06091	12.0
163.04012	100.0
164.04388	3.9
165.05576	8.3
177.01947	5.8
177.05542	6.0
187.04008	3.4
190.02681	2.3
205.05054	39.1
206.05441	2.0
209.04634	2.6
209.75900	1.4
219.06563	1.7
221.04669	2.4
231.02995	6.8
237.07666	28.3
249.03885	7.3
263.05508	3.7
281.06656	50.5
282.06952	4.0
325.03653	2.6
325.07166	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	369.025
Annotation	Variegatorubin
Peak:m/z	Relative Intensity
52.53493	1.1
55.42737	0.9
59.01379	11.5
59.81874	0.9
65.00315	1.1
66.88203	0.9
68.72227	0.9
69.49436	0.9
69.49778	7.7
71.01376	4.5
75.00898	1.2
78.10784	1.0
78.26469	0.8
85.03006	1.1
89.03967	1.2
93.03486	1.8
93.77152	0.9
101.02408	1.5
107.85907	1.0
109.02964	1.0
115.00336	2.4
121.02972	10.3
130.91980	1.0
133.01440	2.2
133.02948	2.1
135.00894	2.6
135.04543	1.8
143.05028	1.2
145.02988	1.5
147.04504	3.5
149.02446	20.0
150.02878	1.0
153.07095	2.7
155.04913	1.2
161.02457	2.5
161.04552	1.0
163.00333	1.1
163.03951	3.1
165.05550	11.3
165.06973	2.1
167.05051	2.7
169.06631	2.5
173.02376	1.2
176.01167	1.6
177.01898	2.5
180.05820	2.9
181.06659	8.2
182.03673	3.8
183.04457	4.0
189.01915	3.5
191.05270	1.1
195.04559	4.8
197.06102	9.0
201.01910	7.6
201.05449	1.5
207.04459	3.5
208.05283	1.0
209.02823	1.4
209.06013	7.4
210.03288	1.5
211.04016	4.8
213.05560	1.8
217.01411	8.3
221.06035	1.0
223.04051	6.5
224.04819	6.5
225.01898	1.6
225.05544	11.8
226.02686	2.4
227.03448	2.7
229.01408	2.4
229.05063	2.6
235.03955	4.6
237.01921	1.6
237.05432	3.4
237.12334	1.7
238.02672	13.4
239.03450	3.0
241.05017	2.4
251.03493	13.1
252.04121	6.5
253.05049	55.6
254.05324	4.6
263.03534	1.4
265.05045	2.4
266.05850	1.3
267.02972	2.1
268.03720	1.2
269.04538	10.7
279.02985	12.3
280.03397	1.7
281.01157	1.9
281.04492	4.7
282.01669	4.6
293.04193	1.9
295.02402	7.7
296.02945	1.9
297.04053	35.9
298.04303	4.1
307.02466	19.3
308.03027	3.1
319.02362	2.6
323.01965	3.3
325.03561	100.0
325.07147	9.4
326.03809	9.8
341.03067	13.2
342.03281	1.8
351.01279	3.1
351.05112	2.6
352.01736	1.4
369.02399	41.8
369.06223	4.2
369.10645	1.5
369.12039	1.3
370.02740	4.0
370.14307	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2488
Annotation	Carboprost
Peak:m/z	Relative Intensity
57.03469	1.0
59.01381	12.5
61.98827	1.6
65.17730	0.8
71.01381	3.6
73.02937	1.3
74.10240	0.8
79.64766	0.8
83.05006	1.7
84.02168	32.2
97.02959	2.6
99.04521	14.2
99.08168	4.6
120.97354	0.8
135.08159	2.0
139.11282	1.1
149.09692	7.1
161.04601	0.8
167.10777	100.0
168.11116	5.5
173.13380	2.3
177.02010	1.2
195.88040	1.0
202.44899	0.8
209.04678	1.0
235.13434	5.5
249.14983	3.5
267.16046	3.2
271.53696	0.9
273.22177	1.6
296.38519	1.0
317.21249	10.5
317.27026	0.9
349.23712	1.8
367.24887	67.7
368.25299	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	367.2641
Annotation	Chemanox 22
Peak:m/z	Relative Intensity
59.01375	0.8
61.98814	0.8
65.32559	0.4
72.67587	0.4
121.05225	0.4
126.69538	0.4
133.06592	2.1
149.09718	91.0
150.10063	4.8
183.01224	2.5
189.12918	0.9
197.02788	3.0
198.03394	0.4
205.15964	90.6
206.16316	7.2
230.02408	0.6
239.07465	0.7
269.87955	0.4
346.55240	0.4
358.55075	0.4
367.23099	7.0
367.26517	100.0
368.23303	1.1
368.26852	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	368.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36315	0.4
59.01370	1.0
64.97034	0.4
71.01390	0.8
77.66673	0.4
77.97858	0.3
79.95739	100.0
80.96519	35.5
83.06153	5.5
86.06133	0.3
92.05054	0.8
95.06054	0.4
111.09279	1.1
113.02493	0.5
114.05619	0.9
120.04556	25.5
121.04886	0.9
134.03551	0.3
155.11909	12.3
156.12299	0.7
165.05489	0.4
186.02312	4.9
293.04489	0.4
325.07156	0.5
348.74338	0.4
368.12827	95.0
368.92160	0.4
369.05972	0.7
369.13126	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	367.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42343	1.1
55.01880	4.8
57.03438	4.2
58.00592	1.9
59.01380	35.6
60.80882	0.8
69.03447	1.5
69.72228	5.8
71.01381	48.5
71.05044	1.3
72.33579	1.0
72.99300	3.0
73.02947	26.3
73.06600	1.2
75.00863	1.3
75.72492	1.0
83.01382	12.5
85.02951	25.4
87.00871	2.0
89.02443	12.3
95.01387	2.6
97.02945	2.3
99.00882	10.3
101.02441	57.2
102.02782	1.8
103.52850	0.9
108.53887	0.9
111.00879	2.0
113.02442	21.6
113.03168	1.8
114.02814	1.2
115.04023	1.4
119.03423	1.0
119.05030	6.9
125.02417	2.4
129.01933	2.7
131.03493	1.7
134.03712	2.6
141.01993	1.0
143.03506	2.2
149.04459	1.1
159.02977	4.1
160.57236	1.0
161.04547	18.8
163.04028	5.7
191.05585	1.8
193.04985	1.7
205.10760	1.1
233.06664	1.9
235.11862	100.0
236.12175	5.9
248.00381	1.0
251.03528	1.1
287.42474	1.1
295.02209	1.2
323.01920	2.3
367.16068	79.9
368.10040	1.2
368.16348	6.9
377.38492	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00415	1.8
59.01382	12.1
64.48507	1.9
66.76717	1.9
69.24825	10.3
69.25257	7.2
69.89970	1.7
71.01373	4.4
71.05021	8.3
73.02964	1.9
81.03429	3.1
83.05051	2.6
85.02960	3.4
86.37597	2.2
90.69197	2.0
92.66725	2.0
98.19881	3.8
109.02937	7.4
111.04533	9.0
111.49342	1.7
119.05026	25.3
121.02972	3.0
123.04484	2.1
125.02448	3.4
131.05063	2.4
133.02965	2.2
134.03682	3.3
135.04535	21.1
137.06050	8.9
138.06364	1.9
146.03783	3.4
147.04527	15.6
149.06065	7.5
150.05591	2.1
158.03737	4.0
159.04504	10.7
160.01543	1.9
161.02441	16.2
161.06113	4.7
163.04015	17.7
163.07603	3.0
171.04666	2.0
172.05275	6.9
173.06038	23.6
174.03232	9.8
175.04002	100.0
176.04779	66.7
177.05133	4.3
187.07605	3.1
188.71451	2.0
189.05521	9.5
190.06281	5.8
191.05580	3.5
191.07117	21.6
193.04971	2.5
201.09267	1.9
203.10780	15.1
211.07666	2.4
214.06369	3.2
217.08786	3.3
218.05917	4.1
219.06635	3.6
219.10240	4.1
220.03760	5.6
227.07072	2.5
229.08673	26.6
230.09033	2.6
231.06541	3.6
247.09746	50.6
248.10106	3.2
273.07623	4.1
291.08728	47.8
292.09067	2.7
368.14169	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	365.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57748	0.9
59.01379	100.0
64.43603	0.9
71.01380	4.3
73.02966	1.3
79.95738	1.0
85.02950	1.7
89.63659	0.9
98.19754	0.7
98.35450	0.7
101.02427	3.3
105.03449	1.3
113.02474	1.7
115.00266	0.8
133.02945	0.9
135.04486	1.7
137.02460	0.9
149.02423	1.5
161.02367	1.0
161.04553	1.4
177.01941	1.1
178.02727	0.9
179.03487	1.9
195.91365	1.0
211.06219	0.9
215.05499	0.8
305.19724	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	365.2694
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
55.94807	0.8
59.01366	3.5
59.10746	0.8
61.98829	1.2
62.66286	0.8
72.99305	1.1
85.06589	2.4
86.15585	1.0
98.22160	0.9
101.02441	2.1
128.84406	0.9
172.45201	0.8
194.82521	0.9
199.13399	4.0
219.17511	9.0
229.61324	1.0
279.19629	18.5
280.19998	2.1
283.26434	2.0
325.18405	1.3
347.25897	5.8
363.25363	1.4
365.23508	5.1
365.26959	100.0
366.23111	1.4
366.27307	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	365.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01716	0.9
69.54018	6.0
69.90511	0.8
71.01377	3.5
84.85149	0.8
85.02935	1.0
89.02482	1.2
101.02438	1.9
113.02430	2.9
119.03500	1.2
135.04500	1.3
143.10774	85.9
144.11147	4.8
150.81772	1.0
157.12329	1.5
159.04474	0.8
161.02429	0.9
161.04553	1.3
167.80180	0.8
179.17021	0.8
185.11897	1.7
207.73254	0.9
265.12283	1.0
283.09924	1.1
350.07489	1.2
365.09714	1.3
365.16171	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.1
55.71775	0.5
57.03447	1.6
59.01380	100.0
60.01711	1.8
61.82648	0.6
65.25323	0.5
69.03460	1.1
69.52232	4.1
71.01382	31.4
72.99308	1.3
73.02935	6.5
83.01359	2.9
85.02959	8.6
87.00890	1.9
89.02463	2.3
95.01395	1.2
96.96000	0.7
97.02982	0.7
99.00895	1.9
101.02441	12.5
105.18842	0.5
113.02464	6.3
115.00377	1.1
119.03476	0.8
129.05617	0.6
133.01498	1.1
143.03519	0.6
147.06628	5.4
154.85582	0.6
159.03030	1.5
161.04582	6.4
161.05931	1.0
173.08188	1.0
185.11737	1.1
203.01822	1.1
203.12895	2.1
238.30817	0.8
245.10268	0.8
263.11398	3.8
305.16135	3.4
326.27878	0.6
347.16974	3.2
365.13052	1.8
365.18143	32.7
366.18625	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	365.145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47894	0.6
57.03453	0.8
59.01379	100.0
60.01715	1.3
63.21247	0.5
67.01931	0.6
69.03452	2.1
69.17422	1.3
69.17828	5.1
71.01380	45.5
72.99319	0.9
73.02943	5.7
83.01397	2.7
84.15995	0.6
85.02937	6.2
86.03355	0.7
87.00880	4.0
87.04462	0.7
89.02473	3.3
97.02951	1.4
98.19910	1.3
99.00859	2.9
101.02441	11.1
101.06100	1.2
113.02454	6.3
119.03519	1.1
125.02462	1.0
129.05592	1.9
130.04347	0.7
133.01445	1.1
147.06630	10.8
152.26653	0.6
159.02968	1.6
160.18929	0.6
161.02472	0.6
161.04543	6.5
161.05817	1.0
167.42505	0.7
173.08241	3.1
179.03622	0.8
200.39067	0.7
201.07718	1.5
203.02007	3.4
245.10336	2.1
263.11334	9.7
264.11780	1.0
291.10904	1.2
305.12723	1.0
305.16129	2.4
365.13675	1.4
365.18195	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	365.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.5
57.03439	0.7
58.00594	1.1
59.01382	100.0
60.01720	1.3
69.03458	2.0
69.58110	1.2
69.58529	3.8
71.01384	56.0
72.01712	1.6
72.99321	1.8
73.02948	94.0
74.03286	1.5
75.00865	0.9
77.69981	0.6
78.08195	0.6
81.03455	1.9
83.01387	24.3
85.02937	3.5
87.00903	1.0
89.02452	8.2
95.01376	0.7
97.02962	1.7
98.17410	0.7
98.20617	1.4
99.00890	1.8
100.39121	0.6
101.02444	66.9
102.02750	1.7
113.02460	9.5
119.03499	1.4
125.02443	2.6
131.03505	3.0
140.00089	0.6
143.03481	4.7
143.07172	1.8
149.04568	3.4
155.03520	2.3
161.04558	12.0
161.08304	1.0
187.93451	0.7
203.09279	1.3
221.06679	0.8
227.32903	0.8
303.14056	0.8
316.76648	0.7
323.17068	1.3
324.33145	0.7
350.58673	0.8
365.14490	83.6
366.14795	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.114
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.5
59.68235	0.3
61.14200	0.3
69.34425	1.2
69.34851	1.2
71.01353	0.3
72.00909	3.7
74.02470	0.7
79.92245	0.3
100.00404	13.1
107.05036	0.6
109.02953	1.0
116.05061	4.3
117.03418	0.4
128.72110	0.3
130.06627	2.4
132.02193	0.5
133.02957	9.4
134.03777	2.9
135.04523	100.0
136.04849	4.7
142.06622	24.0
143.06929	1.2
157.07759	0.4
159.09256	1.1
161.02437	24.0
162.02791	1.2
185.07176	1.1
186.05583	10.4
186.07263	0.6
187.05942	1.1
203.08290	3.8
222.71504	0.3
223.42618	0.3
229.06165	44.5
230.06506	3.0
285.04001	2.0
365.11319	3.6
366.12006	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98357	0.7
54.12617	0.6
55.55139	0.7
59.01363	1.2
69.55871	2.8
69.56295	2.3
72.00903	4.3
74.02464	1.2
87.78590	0.8
98.99624	0.7
100.00404	13.3
107.04914	0.7
109.02924	0.8
110.77876	0.6
116.05079	4.3
130.06633	3.0
133.02956	7.9
134.03745	2.4
135.04523	100.0
136.04832	4.8
142.06618	24.9
143.06990	1.7
157.07616	0.8
159.09251	0.9
161.02438	24.4
162.02733	0.9
171.67654	0.8
185.07172	1.1
186.05600	12.5
187.05908	0.9
203.08315	3.6
209.40907	0.7
229.06160	53.1
230.06496	4.2
365.11575	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	363.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70949	0.8
52.27918	0.8
53.80119	0.9
59.01379	100.0
60.01702	1.5
66.56361	0.8
69.80549	4.3
71.01376	2.8
73.02948	0.9
73.30777	0.9
85.02942	1.2
101.02433	2.7
113.02448	1.2
122.03723	3.4
126.90644	0.8
135.04512	3.8
136.01616	1.8
140.74593	0.8
145.27353	0.8
161.04556	0.9
193.88576	0.8
219.13870	11.1
244.07104	0.8
247.13374	14.2
293.33875	0.9
303.18033	1.7
319.15469	0.9
363.14545	0.9
384.17633	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27399	0.6
53.17014	0.5
59.01379	100.0
60.01723	0.9
71.01376	3.6
85.02956	0.7
89.02441	5.0
98.20818	1.1
101.02490	1.6
113.02457	1.1
119.03529	1.4
135.04550	3.6
167.88356	0.6
229.69516	0.6
241.12535	0.6
257.15439	1.1
301.14618	0.9
314.82129	0.6
346.19528	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2905
Annotation	Isomahubanolide 23
Peak:m/z	Relative Intensity
54.85133	0.5
55.90767	0.6
59.01371	3.2
59.03718	0.6
61.98816	2.0
69.03506	0.9
70.52485	1.4
70.52861	1.2
71.05030	1.1
77.36829	0.5
94.21227	0.7
98.20623	0.7
100.28454	0.6
108.07512	0.6
118.28144	0.6
118.51728	0.6
157.53079	0.6
198.94360	0.7
287.23810	8.7
288.24097	1.3
303.26910	13.0
319.30011	4.2
345.27872	1.2
363.29041	100.0
364.29361	12.8
389.22379	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0876
Annotation	Psoralenoside
Peak:m/z	Relative Intensity
56.07689	0.4
59.01382	11.8
70.63424	1.0
71.01370	1.8
73.02957	1.3
85.02971	0.5
89.02461	0.8
96.96012	0.6
99.00903	0.7
101.02447	1.1
101.06067	0.8
115.00372	0.4
132.99672	0.4
135.04581	0.5
141.09238	0.4
145.02972	1.6
157.02936	0.4
158.03728	14.4
159.04527	7.2
161.05992	0.5
171.04559	1.9
173.02411	0.5
185.06183	0.5
201.01878	1.3
201.05603	3.2
202.02725	100.0
203.03192	8.8
213.05559	2.9
219.07742	0.4
230.59248	0.4
231.06656	1.3
243.06709	0.6
245.04567	1.1
270.64563	0.4
275.05643	2.2
283.65765	0.4
365.08740	43.7
365.17590	2.0
366.09018	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	363.166
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01724	1.4
64.98359	0.5
70.48647	0.6
71.01383	5.7
71.51821	0.8
72.62053	0.6
73.02959	3.9
83.01390	1.3
85.02950	1.3
89.02448	1.3
95.01392	1.1
100.75295	0.7
101.02452	3.4
102.79775	0.7
113.02466	1.6
119.03562	0.8
121.02985	0.7
135.04543	1.5
137.02487	0.6
141.09256	2.1
159.10188	0.8
159.51260	0.6
160.04080	0.7
161.02467	1.4
161.04617	0.8
189.04370	1.2
190.04980	0.6
202.70346	0.6
303.14462	1.0
321.15799	1.4
363.16931	6.4
377.15396	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55546	0.6
59.01378	100.0
60.01713	1.1
61.98816	1.0
71.01389	5.3
73.02959	3.9
83.01383	1.5
85.02947	1.3
89.02452	1.5
101.02445	2.8
113.02460	1.7
116.05030	0.7
135.04498	1.7
141.09235	1.5
161.02434	1.2
189.04228	1.8
303.14749	0.9
330.06863	0.8
363.16840	4.4
364.16852	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.145
Annotation	Gibberellin A78
Peak:m/z	Relative Intensity
54.08637	0.6
59.01379	0.8
60.58595	0.5
67.32098	0.6
70.09060	1.4
70.09468	1.9
71.01418	0.6
91.05531	5.3
93.03474	1.7
95.01396	0.9
96.05982	0.6
107.05024	14.2
109.02950	2.5
109.88898	0.6
111.00851	0.7
112.08156	0.6
115.14288	0.5
121.02936	2.1
124.01654	2.1
124.98366	0.6
125.02448	1.4
133.03036	1.2
134.03775	1.3
135.04526	100.0
136.04794	3.9
137.02440	7.7
137.05933	0.6
139.11273	1.4
144.14854	0.6
149.02426	0.8
150.03186	1.7
151.04005	3.7
161.02434	2.4
162.03252	2.7
163.03883	0.8
177.01901	1.0
193.08710	2.7
225.11307	1.0
301.14532	1.0
319.15479	6.4
320.15854	0.9
363.14426	9.6
364.14865	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.0
69.48709	3.6
85.94877	0.4
91.05537	5.9
91.97086	0.4
93.03472	1.6
98.19852	0.5
100.45667	0.5
106.04275	0.4
107.05031	14.0
108.02168	3.6
108.05338	0.6
109.02972	0.5
116.67992	0.4
116.87901	0.5
121.02962	1.7
123.04531	0.6
124.01669	3.2
125.02460	0.9
134.03743	1.4
135.04527	100.0
136.04811	4.4
139.00333	0.5
139.11296	1.9
150.03214	1.5
151.04008	4.8
161.02432	0.9
162.03227	1.6
181.05026	1.4
301.14404	0.4
319.15540	1.8
321.90399	0.5
363.14355	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.145
Annotation	Gibberellin A91
Peak:m/z	Relative Intensity
59.01379	15.5
71.01394	2.0
71.52507	2.5
71.81119	1.5
73.02949	1.7
85.02959	3.4
85.80370	1.5
96.96037	3.9
98.95609	5.5
101.48180	1.6
107.05049	3.0
121.02983	1.7
123.92482	1.6
126.05614	1.7
135.04521	61.0
136.04877	3.3
139.11319	7.8
147.04546	3.3
148.05287	8.1
149.69078	1.8
159.04524	18.1
161.06082	7.7
172.05394	2.1
175.04079	1.8
175.07521	2.0
176.04776	4.3
179.03593	2.4
185.06085	3.5
186.06903	3.9
187.04002	1.9
188.04784	2.6
189.05696	1.9
193.12357	4.9
203.03796	1.8
204.07890	5.1
215.10744	4.1
219.13921	17.0
229.12364	13.1
231.13919	21.0
232.14299	2.1
246.12712	2.0
247.13371	8.7
257.15494	14.4
258.15686	2.2
259.13382	4.6
275.16528	27.3
276.16824	2.3
301.14484	2.4
313.58563	1.9
319.15485	100.0
320.15829	10.6
357.42291	2.0
363.17908	2.3
368.32452	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
59.23759	1.1
59.63883	1.0
60.01704	0.9
66.14656	0.9
67.81161	1.1
69.72218	5.1
70.72988	1.0
71.01369	4.5
84.44456	0.9
89.02448	2.0
95.94173	1.1
98.19952	1.5
101.02444	3.3
119.05014	2.0
120.05276	1.1
121.03038	1.1
123.59155	1.1
140.07173	73.9
141.07524	2.8
163.04019	2.0
183.10258	1.1
241.00233	2.0
257.12909	1.6
363.16629	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.8
61.98811	1.3
70.56703	2.4
71.01373	1.8
74.70491	0.7
80.90683	0.9
91.05526	4.1
93.03471	1.5
107.05035	10.8
108.02161	0.9
110.03951	0.8
121.02944	2.4
124.01660	3.6
125.02448	1.0
134.03671	1.3
135.04529	100.0
136.04852	3.7
137.02420	1.4
150.03220	2.8
151.03978	8.1
162.03207	1.5
179.03506	1.0
179.31392	0.7
230.45348	0.9
319.15576	1.9
353.79272	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	19.1
69.92164	1.4
69.92569	0.9
96.00465	0.5
118.92461	0.5
174.18745	0.5
261.21881	0.6
279.23267	100.0
280.23651	11.2
295.40469	0.4
317.28387	3.0
361.15488	5.2
361.23553	18.0
361.27567	7.3
362.23853	2.6
362.27859	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
69.81113	20.9
79.38512	20.6
109.81477	23.0
179.35495	23.4
220.22839	22.3
361.27441	39.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.9892
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	7.8
60.01706	1.3
61.98828	100.0
64.84386	0.3
69.33817	2.6
73.05208	0.3
75.23683	0.3
76.66328	0.3
77.73355	0.3
173.82184	0.3
174.99229	0.9
175.99643	0.7
177.96632	0.5
178.98604	0.7
198.83752	0.3
201.02528	1.4
203.02290	0.5
204.00005	4.6
204.02658	0.6
206.97479	0.4
217.00264	2.3
218.00583	2.9
219.00540	1.1
219.97746	49.4
220.97664	0.4
220.99773	2.4
277.96909	0.3
319.97830	0.9
320.00928	0.5
361.98447	3.4
362.99130	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1504
Annotation	Gibboside
Peak:m/z	Relative Intensity
57.03450	0.9
59.01381	9.9
62.72224	0.8
67.60407	0.7
69.68578	1.9
69.68970	1.5
71.01382	5.0
73.02932	1.3
81.03458	0.9
83.05031	7.9
85.02967	1.5
89.02457	2.1
93.03458	25.7
93.34042	0.7
94.03796	0.8
96.96014	1.5
98.19958	0.9
101.02428	2.4
104.18887	0.7
109.02897	0.8
111.04520	1.2
113.02442	2.1
117.03454	2.7
119.05026	40.1
121.03034	0.7
135.04480	1.4
135.08156	1.0
137.02448	13.7
137.03503	0.8
137.09718	18.5
138.10034	1.3
145.02948	10.6
146.03299	1.0
150.88811	0.7
155.03508	2.0
155.10779	37.3
156.11066	1.5
163.04013	23.4
164.04271	0.9
181.08696	5.1
193.06595	0.8
195.08130	3.3
199.09750	100.0
200.10109	6.5
213.11316	1.0
223.09808	4.7
239.07031	2.1
241.10870	1.7
301.07184	1.5
318.13483	1.1
344.09579	0.8
361.05499	1.6
361.09561	1.3
361.14404	1.2
362.10327	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	361.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17295	0.5
52.76878	0.5
56.73494	0.5
57.02201	0.5
59.01379	8.4
59.10793	0.5
61.11701	0.5
64.97016	0.7
71.01388	3.9
71.51422	0.5
71.51825	0.5
73.02947	0.8
75.88390	0.5
79.95740	14.2
80.96519	1.5
85.02937	0.8
89.02456	2.6
94.98088	1.2
95.04997	0.6
95.95234	2.5
96.96014	95.4
101.02460	2.2
107.22742	0.5
113.02460	1.5
119.03642	0.6
119.05022	5.9
122.03608	0.5
122.97588	6.7
123.04486	0.6
125.02372	0.7
125.06096	2.0
137.02406	1.0
137.06082	1.1
140.07161	0.6
152.07169	2.5
161.04613	0.5
163.03986	7.7
167.00230	0.7
176.03568	0.7
181.88623	0.6
199.09772	0.9
246.21716	0.6
328.43027	0.6
343.13055	0.8
361.11700	100.0
362.12097	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	361.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11153	0.6
56.98027	1.7
58.99612	0.7
59.01365	2.3
60.97522	1.2
63.96236	4.9
71.01385	2.5
71.52106	1.1
72.99311	3.3
73.98310	2.6
74.99095	100.0
75.99426	1.2
78.95860	0.7
85.02982	1.0
86.99110	6.3
87.00879	1.4
101.02460	0.7
101.62220	0.6
111.08154	1.0
117.97310	1.2
118.98057	1.8
133.01373	0.9
135.04503	0.9
135.98363	2.4
136.99141	69.0
137.09723	1.6
137.99390	0.8
148.78549	0.6
152.95911	0.8
152.99611	1.2
153.09236	2.3
163.07671	0.8
174.05605	1.2
179.03528	1.0
179.09041	1.6
181.08713	1.9
203.09442	0.7
211.13486	1.8
247.11986	1.4
273.11563	3.6
276.48169	0.7
292.77603	0.7
361.13275	10.7
361.18256	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65567	1.3
57.41079	1.2
57.85049	1.1
59.01382	21.4
66.83382	1.3
69.03426	1.2
69.45166	5.2
69.45580	2.4
71.01382	6.6
72.99312	26.5
73.02946	4.9
76.25275	1.3
76.66652	1.3
83.01375	1.4
85.02953	1.8
89.02461	1.7
91.67937	1.4
95.05051	2.8
98.19901	2.8
101.02436	5.7
106.06649	2.0
108.04535	1.4
110.06131	5.3
113.02448	2.4
119.03365	1.5
122.06111	17.1
123.03246	2.6
126.65084	1.2
132.04556	41.0
133.05374	16.7
134.06084	3.9
135.04558	2.5
138.05624	27.0
139.05058	2.3
139.05978	21.3
148.04044	4.7
152.08330	1.3
158.34207	1.2
165.04303	15.7
166.05089	2.2
170.92876	1.3
176.03534	2.7
177.04276	6.6
186.09297	2.3
201.10356	6.9
209.03271	7.5
212.10788	12.4
213.10432	4.7
221.00923	4.3
229.09755	2.3
240.09085	1.5
243.11368	16.4
255.11388	34.8
256.11792	2.3
266.07251	1.6
273.12308	2.0
281.09320	1.5
283.10068	1.6
287.10355	19.3
299.10391	17.0
300.10529	1.5
313.10815	3.6
317.11478	13.0
318.13608	3.6
319.14029	1.8
329.05145	3.0
343.09366	12.7
343.34750	1.4
344.09967	1.8
361.10440	100.0
361.14804	7.9
362.10730	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	360.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.8
69.78533	2.8
77.64483	0.7
98.19991	0.9
112.05602	0.6
112.83052	0.6
123.03271	4.9
138.05606	100.0
139.05972	3.3
159.10960	0.7
217.48244	0.7
282.09854	1.7
300.10788	1.4
328.31018	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.104
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65462	1.1
59.01388	6.0
71.01377	4.3
71.02686	2.5
80.05070	2.0
85.02968	1.0
86.02483	1.1
87.00876	1.7
89.30997	1.0
91.86153	0.9
101.02415	1.7
104.05048	1.2
106.06612	2.7
122.06114	1.8
132.04565	2.2
134.06140	1.9
138.05586	1.8
139.05963	2.4
158.06123	1.9
159.05620	1.6
170.09741	2.2
175.08755	2.0
176.07094	1.1
182.06110	6.6
183.06706	1.7
184.07730	1.9
186.09189	3.4
196.07678	1.7
197.07094	1.3
197.08665	1.6
199.08728	3.8
203.11853	1.5
210.09097	1.7
212.10811	56.0
213.10466	9.3
225.06749	8.2
226.07460	13.1
227.08144	4.2
227.11887	2.4
229.09839	2.5
229.13493	1.3
239.08249	4.8
240.09027	10.8
253.09749	1.4
255.11386	100.0
256.11768	7.4
281.09335	3.3
299.10400	22.1
300.10626	2.3
317.11325	3.0
343.09372	61.2
344.09644	4.6
361.10400	69.8
361.14551	2.6
362.10712	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	359.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	22.9
70.26920	1.9
71.01401	0.7
82.71239	0.5
128.67490	0.4
179.60190	0.5
185.71281	0.6
277.21716	100.0
278.22064	10.4
309.00998	0.5
348.74179	0.6
359.22034	18.2
359.26321	1.2
360.22534	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16383	1.7
54.33157	1.9
59.01381	18.4
60.01706	1.9
61.98830	3.0
65.08537	2.3
67.90408	1.8
70.19656	5.0
70.20049	3.9
80.96517	2.1
91.05492	1.6
104.02692	10.6
105.01948	2.1
135.04530	2.4
148.01688	8.9
174.03250	2.7
176.01129	2.2
179.25436	1.8
179.76662	1.9
180.71783	1.7
189.96655	1.9
192.00613	2.7
193.94919	2.0
218.02303	2.2
220.00085	42.3
223.20657	78.1
224.20946	6.9
267.19638	56.9
268.19968	4.7
271.22836	2.6
285.20685	100.0
286.20929	7.9
331.11954	3.0
342.70377	2.0
359.24390	40.6
360.24908	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	359.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.3
59.01379	100.0
60.01711	1.1
67.03026	0.6
69.38238	2.7
71.01380	5.0
73.02959	1.5
83.01401	1.1
83.06151	6.8
84.06470	0.3
85.02946	3.0
99.00894	0.6
101.02422	2.7
113.02441	1.8
119.15841	0.3
159.02974	0.4
161.04530	2.6
223.34418	0.3
280.53574	0.3
317.17300	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1136
Annotation	Curlignan
Peak:m/z	Relative Intensity
59.01380	7.7
62.32500	1.2
71.01397	3.0
71.28539	1.9
74.63705	1.2
85.69314	1.3
86.80732	1.4
89.87886	1.4
103.48573	1.3
107.30480	1.2
109.02957	4.6
121.02970	16.4
122.03687	1.8
135.04526	11.4
145.02959	5.4
148.05301	6.1
159.04509	2.0
162.03168	2.1
163.07597	3.1
225.05492	3.5
225.09099	2.2
238.06335	2.9
240.04335	2.0
241.05009	1.6
253.04910	2.3
253.08714	3.7
254.05832	5.6
255.06554	5.6
263.06903	1.8
264.07736	1.9
265.08624	4.7
267.06522	6.3
269.08173	40.7
270.08896	15.5
281.08182	42.7
282.08875	11.8
285.11194	2.1
296.06915	4.8
297.11243	2.4
311.09192	14.3
314.08060	2.8
326.07962	7.1
329.10278	100.0
330.10516	13.4
341.10300	71.1
342.04791	1.4
342.10519	10.1
359.11456	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	359.15
Annotation	5-O-Methylhirsutanonol
Peak:m/z	Relative Intensity
59.01382	1.8
71.01388	2.6
98.20708	2.8
98.29366	1.5
108.02159	2.0
108.08224	7.0
109.08518	6.4
121.02933	2.1
121.06586	1.5
123.04516	4.0
135.04524	26.8
136.01636	4.8
137.02054	2.7
149.06082	10.1
150.03230	7.9
151.03938	5.1
152.04300	3.3
152.07147	6.8
153.04466	2.4
153.07462	4.9
163.04008	3.1
164.04805	2.5
165.05548	5.0
179.07129	21.4
180.07912	58.1
181.08232	3.5
184.25986	1.2
189.76047	1.8
194.05865	3.2
194.09557	2.1
195.10249	5.8
196.06172	3.5
197.06432	4.1
208.07431	13.9
212.06842	3.5
214.08815	2.5
223.09756	100.0
224.10049	4.9
226.08441	5.2
254.81204	1.9
269.08173	3.2
281.08093	1.6
299.09094	2.8
311.09207	4.2
314.11710	3.4
315.12216	2.9
326.11429	4.1
329.13828	5.1
329.75620	1.6
331.15463	4.3
341.13794	4.0
359.14865	12.0
359.19968	2.0
360.14822	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1134
Annotation	9beta-Hydroxyatripliciolide-8-O-methacrylate
Peak:m/z	Relative Intensity
59.01386	4.1
69.10087	0.6
71.52698	0.9
73.02935	0.7
76.91470	0.7
96.96029	1.6
97.18340	0.7
104.02695	2.3
120.47639	0.6
120.99638	3.7
148.01640	2.1
161.02423	2.0
173.02414	1.3
174.03215	2.6
175.04027	1.3
176.01152	2.6
177.01897	2.7
180.37076	0.6
186.03288	1.2
187.04013	1.0
188.04933	0.8
189.01942	3.5
190.02692	4.0
199.03983	1.1
201.01920	27.5
201.03795	1.4
202.02538	2.5
203.03494	1.0
211.03856	1.6
214.02676	6.7
215.03508	14.0
216.04239	13.1
217.04761	1.1
217.08522	0.7
220.00079	4.0
227.03476	0.9
229.05038	16.4
230.05569	1.5
237.76877	0.7
242.05888	0.8
243.06566	1.9
243.10190	1.1
244.03772	4.3
245.00914	1.4
245.11673	1.3
246.01591	2.1
257.08087	0.9
258.08948	1.0
259.09808	4.7
271.09732	22.9
272.10220	3.5
287.12909	13.7
288.13065	0.9
315.08969	1.2
315.12357	15.6
315.55624	0.8
316.12518	1.6
359.11340	100.0
360.11682	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1136
Annotation	9beta-Hydroxyatripliciolide-8-O-methacrylate
Peak:m/z	Relative Intensity
58.38404	1.6
59.01369	3.3
61.98811	1.7
69.87316	1.6
69.87652	7.9
77.21457	1.6
93.75503	1.5
95.17150	1.5
104.02680	4.9
109.06519	1.9
118.04210	2.1
120.99688	2.8
125.09718	5.5
132.02173	10.1
144.05820	2.9
148.01685	3.2
158.03636	1.8
160.05309	2.4
161.02374	2.0
161.13452	1.7
162.03166	1.9
172.05269	2.1
185.06052	4.2
186.16219	1.7
187.09744	6.9
188.04826	4.4
190.02765	7.2
199.04048	2.3
200.04672	1.7
201.01932	5.9
215.14407	2.4
216.04259	22.1
217.04613	2.2
220.00076	10.7
222.01758	4.9
229.05061	25.3
243.13882	5.4
244.03941	2.7
287.09665	3.4
287.12878	70.2
288.13232	6.2
315.12366	29.0
316.12836	3.8
331.11832	2.7
359.11353	100.0
359.14584	3.6
359.27887	2.1
360.11697	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	359.1134
Annotation	9beta-Hydroxyatripliciolide-8-O-methacrylate
Peak:m/z	Relative Intensity
54.34544	0.7
54.44138	0.6
55.49251	0.6
59.01395	1.6
71.01406	0.7
71.51387	0.8
79.08990	0.6
79.95721	0.8
89.03970	1.8
100.83298	0.7
104.02680	3.0
117.03486	0.8
118.04224	3.7
130.04242	1.2
132.02141	1.0
133.02991	0.8
134.03711	1.0
135.04468	0.9
148.01671	5.8
160.01698	1.4
161.02449	7.9
162.03239	3.3
173.02412	2.6
174.03253	6.1
176.01155	12.7
177.01752	0.9
186.75621	0.7
187.03970	1.6
189.01910	7.1
190.02730	18.5
191.03146	1.9
192.00641	0.7
198.03104	0.7
199.03969	0.9
201.01936	23.5
202.02699	9.2
205.01361	0.8
211.03964	1.6
215.03503	21.9
216.00673	6.7
216.04237	10.6
217.04779	0.8
220.00224	5.9
222.01752	2.0
229.04958	6.2
243.19826	0.8
271.12793	0.7
287.12888	66.4
288.13251	5.7
297.10733	0.7
302.62161	0.7
315.12402	10.7
316.12839	0.9
331.11859	2.8
359.11337	100.0
360.11664	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	358.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98550	0.3
56.87170	0.3
59.01384	1.0
61.98832	0.9
64.41609	0.3
66.83908	0.3
69.37936	1.5
69.38362	1.0
70.05334	0.3
71.01403	0.4
72.00909	7.7
74.02468	1.9
77.45966	0.3
88.04079	0.7
91.05547	1.0
93.03458	0.5
104.93283	0.3
107.05029	2.3
108.02174	0.8
109.02953	22.2
121.02961	1.1
122.03740	8.9
123.04534	3.0
124.01672	0.7
124.04049	0.5
125.02484	0.5
130.08742	1.2
130.09766	0.4
134.03741	1.2
134.06128	2.9
135.04526	42.6
136.04874	1.8
137.02435	1.0
150.05605	2.1
152.07152	0.9
153.01941	16.9
154.02705	1.0
160.06158	1.2
167.02960	0.3
177.49664	0.3
178.99950	0.5
179.03502	17.1
180.03818	1.0
188.07736	0.7
191.05615	0.4
196.06143	100.0
197.00874	0.7
197.06496	5.1
217.00369	0.5
217.59628	0.4
257.07913	0.8
262.09177	0.4
298.07901	0.6
358.11423	18.2
359.06116	2.2
359.11484	1.0
359.15277	0.7
366.14435	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50393	0.4
54.27530	0.3
55.20753	0.4
57.91580	0.4
59.01379	93.2
60.01712	1.1
61.98837	1.7
64.65440	0.3
69.87495	0.9
69.87901	1.0
72.99314	0.9
81.34558	0.4
90.97155	0.6
118.96614	0.7
132.98204	2.2
157.03558	2.7
159.01544	0.7
161.98923	0.5
174.98001	0.4
174.99245	22.4
201.02556	24.7
202.02689	2.3
217.00296	100.0
217.97888	0.6
218.00647	2.8
257.72876	0.4
274.17151	0.4
274.99658	1.0
317.00729	1.4
336.78412	0.4
359.01553	5.6
360.01581	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1134
Annotation	9beta-Hydroxyatripliciolide-8-O-methacrylate
Peak:m/z	Relative Intensity
59.01370	2.1
60.52874	0.5
61.98812	0.7
66.59338	0.5
71.51812	0.6
85.02950	0.7
89.03940	1.0
104.02676	1.5
109.06574	1.3
118.04228	2.1
130.04295	0.7
134.03682	0.8
135.04558	0.9
145.02893	0.7
148.01669	3.3
159.04536	0.6
161.02461	5.0
162.03139	1.7
173.02403	2.2
174.03271	3.3
176.01146	9.2
177.01686	0.7
186.03236	0.6
187.04008	1.3
189.01936	4.8
190.02707	15.1
191.03375	1.2
198.03267	0.7
200.04729	0.7
201.01933	21.5
202.02684	6.9
203.02997	0.7
211.03934	1.0
213.05591	0.8
214.02722	2.2
215.03488	17.4
216.00665	5.1
216.04207	9.0
220.00107	2.8
222.01620	0.9
229.05045	7.9
230.05377	0.7
240.73088	0.6
243.06577	0.6
244.03784	0.8
245.00833	0.8
259.09708	0.6
259.13293	0.8
263.92831	0.5
269.11841	0.8
271.09808	6.4
272.10471	0.6
287.12878	48.5
288.13229	4.1
315.12350	13.2
316.12616	1.2
321.54752	0.6
331.11859	3.1
359.11325	100.0
359.27988	2.0
360.11691	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	358.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
71.10756	1.3
72.00909	4.1
83.83206	0.6
86.58890	0.6
100.00412	8.6
107.05025	1.5
108.40504	0.6
109.02944	3.6
112.38483	0.6
121.02939	0.6
122.03735	1.5
123.04503	5.4
133.02959	9.5
134.03780	3.3
135.04529	100.0
136.04823	3.8
150.05615	1.0
151.04004	3.3
152.04356	0.6
152.07213	1.1
160.04039	12.6
161.02444	39.2
162.02846	1.5
169.09793	0.5
176.03537	1.4
178.05096	64.3
179.03514	5.2
179.05397	2.6
196.06096	3.0
222.04073	47.9
223.04395	2.6
242.21964	0.6
251.02104	0.6
314.10422	1.4
332.15399	0.6
358.09326	15.5
358.13611	1.0
359.09708	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	4.4
58.54137	0.1
59.01380	1.3
69.03451	0.8
69.51804	1.1
71.01377	0.2
71.05009	0.4
86.65252	0.2
90.56741	0.2
95.05029	0.4
96.96011	0.3
97.06599	0.3
99.49937	0.2
103.00335	0.2
109.02961	0.2
109.06598	2.4
110.07573	0.2
111.08161	13.9
112.08509	0.6
113.09739	1.5
121.02967	1.7
125.06069	0.2
125.09696	0.5
127.11293	3.9
128.11682	0.2
129.09212	1.4
137.09702	0.3
139.07661	1.0
139.11279	0.3
141.12862	2.8
151.11244	0.2
153.09210	1.1
157.08688	2.5
167.14366	0.2
169.12315	0.6
171.10266	7.6
172.10576	0.5
183.13892	2.1
185.11830	0.5
185.15448	0.7
197.15392	0.4
199.17081	1.2
201.01920	0.4
201.11385	0.2
201.14833	0.2
211.20616	0.3
215.03651	0.2
220.00093	0.2
221.19003	0.3
227.16515	2.4
245.00848	0.4
245.17886	0.3
253.21715	1.5
254.22011	0.2
269.24835	0.7
279.23401	0.3
285.11429	0.3
295.09793	0.2
295.22775	0.5
297.76230	0.2
303.23386	0.3
308.16260	0.2
313.10928	0.4
313.23822	4.0
314.24228	0.3
321.24280	1.1
327.08786	0.3
339.25360	2.1
340.25662	0.3
357.26440	100.0
358.06143	0.2
358.10062	0.2
358.26788	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	358.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.76569	0.5
63.73304	0.6
69.79425	1.9
69.79827	1.3
72.00908	2.7
90.76541	0.6
93.03432	0.7
100.00408	6.9
102.91476	0.6
107.05042	1.6
109.02956	3.2
122.03735	1.5
123.04523	5.9
133.02956	10.1
134.03746	3.0
135.04529	100.0
136.04868	4.7
144.54181	0.6
150.05588	1.2
151.04031	3.5
152.07117	1.2
160.04048	12.3
161.02444	34.1
162.02803	2.5
176.03529	0.9
178.05098	61.3
179.03499	5.2
179.05429	2.7
196.06169	4.1
217.85728	0.6
222.04073	43.6
223.04483	2.7
314.10364	1.2
318.06003	0.6
358.09305	14.1
359.09705	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	4.4
58.03130	0.3
59.01381	1.2
59.88735	0.2
61.72285	0.2
64.09815	0.2
69.03442	0.3
69.18383	1.5
69.18813	1.0
71.05040	0.3
95.04964	0.3
97.06588	0.4
103.00373	0.4
109.06588	2.6
111.08156	12.5
112.08479	0.5
113.09706	1.1
121.02955	1.2
125.09721	0.6
127.11289	3.5
129.09189	1.3
137.09708	0.4
139.07661	0.8
141.12863	3.0
153.09215	1.1
155.10771	0.3
157.08693	2.5
158.09061	0.3
162.31630	0.3
169.12346	0.6
170.01312	0.3
171.10265	7.3
172.10614	0.3
183.13902	2.6
185.11792	0.6
185.15402	0.6
199.17036	1.1
201.01907	0.3
227.16516	2.8
245.00586	0.3
253.21687	1.3
269.24811	0.7
279.23099	0.3
289.36520	0.3
303.23318	0.5
306.04620	0.3
313.10672	0.3
313.23843	4.0
314.24307	0.3
321.24332	1.2
339.25342	2.2
340.25635	0.3
357.26434	100.0
358.26779	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	357.2646
Annotation	13,14-dihydro Prostaglandin F1alpha
Peak:m/z	Relative Intensity
57.03452	3.2
59.01369	0.5
59.11082	0.3
66.09208	0.3
69.03453	0.4
69.26781	1.4
69.27201	1.0
71.05014	0.7
79.01651	0.2
97.06592	0.6
98.19933	0.5
99.69176	0.3
111.08176	0.6
111.77417	0.3
113.09737	0.4
121.02950	1.6
125.09717	0.5
127.11290	5.2
132.13885	0.3
132.49532	0.3
137.09726	0.7
139.11299	3.3
141.12869	2.9
155.10782	1.0
155.14450	0.3
157.12445	0.3
169.12349	0.7
171.13922	1.2
185.11823	11.5
186.12196	0.6
186.95656	0.3
200.14211	0.8
203.96486	0.3
291.68936	0.3
307.64954	0.3
313.27576	0.7
339.25427	1.9
355.24850	1.9
357.26447	100.0
358.26788	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2645
Annotation	16,17,18,20-Tetrahydroxy-10,11,14,15-tetrahydronerylgeraniol
Peak:m/z	Relative Intensity
50.24532	0.9
52.18753	0.9
57.03446	12.8
58.00584	2.6
59.01365	1.7
59.36432	0.8
69.03448	1.7
71.01382	1.1
71.05013	2.1
73.02946	1.3
81.03463	1.1
85.02934	2.2
87.04512	30.3
91.54450	1.0
97.06571	1.7
99.04531	1.7
101.05949	1.1
107.91989	1.0
109.06600	1.2
111.08132	3.5
113.09708	3.2
118.00241	0.9
123.02922	1.1
125.09686	1.0
127.11297	26.6
135.04492	1.0
137.09724	2.9
139.11293	16.3
151.11288	2.1
153.12851	2.6
155.10777	4.1
169.12325	8.5
170.58279	1.2
171.13907	32.5
172.14294	1.6
183.01186	2.4
200.14201	6.8
201.14957	11.1
229.18037	2.3
311.25894	64.8
312.26215	8.1
313.27487	16.7
314.27856	2.4
357.13718	2.6
357.17319	6.2
357.26443	100.0
358.26761	11.0
358.97421	1.1
384.98410	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84684	0.3
57.03448	11.7
59.01382	14.9
60.53495	0.3
61.98822	0.3
66.39214	0.3
68.04847	0.3
69.03441	0.9
71.01383	1.1
71.05014	1.1
71.52551	0.5
73.02943	0.9
83.05032	0.5
85.02932	0.5
96.96041	0.6
97.06586	1.3
99.08195	0.4
108.41688	0.3
109.02930	0.4
111.08163	1.1
113.09740	0.6
120.99677	0.4
121.02951	2.7
123.08190	0.9
125.09734	5.4
127.11296	5.5
134.53424	0.3
135.04552	0.7
137.02493	0.3
137.09723	1.1
139.11275	2.5
141.12874	1.9
143.51509	0.3
151.04021	0.7
151.11308	0.4
153.12871	0.8
155.10774	1.9
155.14507	0.6
159.04530	0.4
165.28622	0.4
169.12325	1.7
171.10301	1.0
171.13898	5.9
172.05348	0.4
179.03613	0.4
181.06535	0.7
185.11826	8.1
185.15395	1.7
186.12173	0.4
187.07587	0.4
201.01988	0.6
215.10771	0.6
225.05518	1.0
311.22348	0.6
313.17978	1.8
313.27478	14.0
314.27765	1.8
327.08783	0.5
327.25348	1.3
335.46701	0.4
339.25421	3.4
355.24927	1.0
357.09677	1.2
357.17426	3.3
357.26447	100.0
358.26794	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	357.1339
Annotation	3,3'-bis(3,4-dihydro-4-hydroxy-6-methoxy-2H-1-benzopyran)
Peak:m/z	Relative Intensity
53.85434	0.5
65.75647	0.4
69.03453	0.5
69.49110	2.4
69.49512	1.0
84.02137	0.4
93.03458	1.6
98.19900	0.9
108.02201	2.1
109.02935	0.8
121.02959	8.9
122.03754	4.1
123.00951	0.5
124.01680	0.8
134.03781	1.0
135.04573	0.6
136.01657	78.1
137.02292	2.9
149.06082	0.6
151.04004	100.0
152.04320	4.1
159.04494	0.9
160.05199	1.0
161.02475	0.7
162.03232	2.1
163.03987	1.6
175.04066	0.5
175.07596	1.5
177.05598	1.0
179.03471	0.7
187.04024	1.1
188.04860	0.5
189.05534	0.7
215.39246	0.4
262.10007	0.4
272.91431	0.4
311.12814	0.8
316.22940	0.4
342.11020	4.0
343.10992	0.5
357.13397	18.7
358.13608	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	357.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87153	0.7
52.12044	0.7
59.01382	100.0
60.01709	1.2
60.49032	0.7
64.14975	0.8
71.01387	7.0
71.52036	0.9
73.02960	3.3
74.03239	0.7
75.71814	0.7
75.94048	0.8
85.02945	4.3
89.02453	1.6
97.06599	0.7
99.00885	1.3
101.02452	3.8
108.40343	0.9
113.02473	2.8
120.37313	0.8
121.03030	0.9
123.72747	0.8
136.13925	0.7
161.04590	3.5
313.18262	2.1
313.27484	1.5
315.18033	0.8
327.25363	0.8
339.25348	1.0
353.65805	0.9
357.17307	3.7
357.26422	15.9
358.26773	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72563	0.3
58.26880	0.4
59.01377	1.2
62.67029	0.3
68.93217	0.3
69.81001	0.8
69.81393	0.8
71.01389	0.4
85.97282	0.3
93.03455	0.5
95.05026	0.8
109.02938	0.5
109.73285	0.4
122.03758	0.9
123.04528	80.9
124.04848	2.8
133.02933	0.4
135.04530	5.2
137.02423	0.5
151.03996	0.8
153.05574	100.0
154.05910	4.5
160.04077	0.5
161.02408	2.0
174.50755	0.4
178.05090	2.4
193.05003	0.4
195.06679	2.5
195.21867	0.3
196.06071	0.7
222.04146	1.7
269.08258	0.8
307.37308	0.4
315.10867	0.5
332.07840	0.3
357.06055	0.8
357.11832	1.5
358.09073	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1189
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
54.99338	0.5
59.01379	19.9
70.97181	1.2
71.01376	1.6
72.90301	0.5
85.02949	0.6
89.76507	0.6
100.00414	1.6
108.02168	1.3
109.02990	1.1
115.55671	0.6
119.05020	1.7
121.02952	2.1
122.03738	0.7
123.04546	3.2
124.01648	0.8
125.02455	0.5
133.02940	2.4
134.03709	1.8
135.04529	26.4
136.01666	2.2
136.05305	12.1
137.02440	1.2
143.89067	0.5
151.04013	5.9
151.07631	3.4
153.01956	0.8
154.01546	0.8
160.04073	2.5
161.02438	6.1
178.05087	11.0
179.03464	1.4
193.04955	0.9
195.06627	100.0
196.06981	4.3
222.04057	7.0
243.54340	0.6
267.06757	0.6
308.66080	0.5
327.12375	1.3
357.06201	1.6
357.12668	0.7
358.09311	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	356.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	9.1
61.98534	8.0
61.98832	100.0
69.84739	25.3
72.38720	5.1
77.02558	4.7
98.20621	9.9
120.84622	4.9
121.02943	8.5
126.21717	5.3
135.04532	21.8
151.04045	5.8
212.73140	5.5
219.99922	7.6
286.76782	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	357.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18364	0.6
59.01379	13.8
67.01924	0.7
69.72977	3.4
71.01375	9.0
73.02942	11.1
75.88429	0.7
79.67875	0.6
83.01397	2.1
85.02960	1.3
89.02454	0.9
93.03504	0.7
93.21420	0.6
98.20555	1.0
99.92578	0.8
101.02444	5.8
107.01372	1.4
108.02171	3.8
109.02949	63.9
110.03292	2.2
113.02463	1.7
121.02932	1.0
123.00889	1.5
123.04525	13.0
124.01660	1.6
124.04868	0.9
125.02473	0.8
133.02945	1.7
134.03717	1.8
135.00961	1.0
135.04547	11.8
136.01631	2.1
136.05318	1.6
137.02419	1.8
149.02425	1.0
149.06067	1.1
150.06860	8.4
151.04022	5.3
151.07637	0.7
152.01166	3.6
153.01936	100.0
153.05539	11.9
154.02275	3.0
161.02492	2.0
161.04518	1.1
162.03154	0.8
165.01936	0.7
165.05484	0.9
177.01862	1.1
178.02757	1.1
178.05089	4.8
179.03476	1.2
193.05069	1.6
193.08823	0.8
194.05318	0.9
195.02975	11.9
195.06686	6.7
196.03397	1.0
196.90846	0.7
209.04488	0.7
222.04070	2.9
241.46245	0.6
253.05193	0.8
281.04544	0.8
284.03088	0.9
297.06198	2.4
313.07330	1.5
351.62564	0.8
357.08423	19.9
357.12253	1.4
358.09161	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	356.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11546	1.8
58.76632	1.7
59.01376	4.0
60.49147	2.2
69.49512	2.0
69.51173	4.9
69.51580	7.8
81.03482	2.0
88.04041	2.0
93.03454	3.5
100.00427	2.9
106.06626	2.4
107.05025	8.0
108.02168	7.9
109.02950	5.6
119.05027	21.9
121.02911	9.4
123.00874	6.8
123.04531	11.1
124.01653	4.8
124.04847	5.7
130.08717	2.3
132.02223	1.9
133.02881	3.3
133.05341	29.9
134.03766	35.6
134.06123	99.3
135.04558	26.4
135.06451	2.9
136.01654	26.0
137.02400	4.1
144.04573	3.4
145.03009	3.0
147.04500	6.6
148.04237	1.8
148.05298	53.8
148.07683	2.5
149.06081	17.7
150.03204	2.7
151.04019	42.4
152.04353	15.9
159.04594	3.3
160.01682	11.1
160.03999	10.6
160.05212	2.2
161.02419	12.6
161.04808	18.7
161.06085	5.7
162.03256	12.5
162.05460	2.3
163.03993	16.2
164.04787	2.0
171.04424	2.7
172.05202	3.0
175.04015	18.5
176.03487	7.0
176.07146	28.5
177.01944	6.2
177.04288	3.4
177.05582	44.2
178.05061	40.1
179.05363	2.5
180.06590	2.7
187.03995	3.3
188.04695	2.5
189.04259	8.8
189.05643	5.6
190.05070	36.1
190.06587	3.3
192.06598	13.5
197.04106	2.4
204.06657	17.1
205.07327	3.4
206.04593	23.6
206.08156	6.6
221.08060	3.1
223.07529	2.1
225.05605	2.1
251.07069	5.8
253.08676	5.4
254.09349	2.5
268.06854	5.3
278.09665	2.8
279.06610	13.4
284.12958	2.4
294.09042	7.2
297.10190	21.1
309.11447	10.8
312.12479	100.0
313.12668	8.7
327.09235	1.3
327.12347	53.7
341.09863	8.0
356.11417	97.3
357.12787	14.9
357.17307	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	356.0984
Annotation	cyclo-Dopa 5-O-glucoside
Peak:m/z	Relative Intensity
59.01374	1.5
65.58132	0.5
69.81657	2.3
71.01369	1.6
79.99084	0.5
85.02950	1.0
89.02468	0.6
104.05075	1.2
106.06618	100.0
107.06957	3.5
108.08167	0.5
113.02435	1.7
118.06620	2.8
120.08181	0.8
135.04506	0.5
146.06117	0.7
150.05591	80.6
151.05919	4.0
164.07144	13.8
169.49298	0.5
192.06653	10.1
193.07010	0.6
194.04559	15.3
195.04984	0.8
236.05670	1.8
296.07800	1.5
312.05911	1.1
312.11728	0.9
356.04987	3.3
356.09827	7.0
357.05136	0.6
357.10077	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2489
Annotation	13,14-dihydro-PGF2alpha
Peak:m/z	Relative Intensity
54.04015	0.7
57.03448	22.0
58.03763	0.8
59.01366	1.8
63.58394	0.6
69.03461	4.6
71.05024	4.8
85.06611	0.8
90.64850	0.7
91.05497	0.7
93.42435	0.8
95.05010	1.3
97.06577	3.2
98.20647	3.0
104.87202	0.7
111.08158	8.5
113.09711	5.4
122.49567	0.8
125.09715	1.2
127.11295	54.1
128.11659	2.6
137.09717	9.3
138.34868	0.7
139.11296	27.9
140.11562	0.9
153.12892	4.3
155.10776	10.2
168.11572	0.8
169.12305	1.6
171.13907	59.6
172.14204	2.2
185.09691	1.8
199.13408	1.5
199.17014	0.8
200.14174	14.4
201.14948	4.0
213.09236	2.0
229.18007	6.8
230.18629	1.1
231.13344	0.8
267.06787	1.0
293.24976	1.3
311.25906	100.0
312.26263	10.7
336.73663	0.8
340.09665	1.3
355.15631	2.6
355.24884	88.6
356.25238	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1947
Annotation	Lehualide I
Peak:m/z	Relative Intensity
53.04569	0.4
53.74267	0.5
54.74441	0.5
59.01387	0.6
61.98831	0.6
70.05374	1.9
79.95758	1.5
87.04549	0.5
98.20598	0.5
119.05019	1.3
127.22295	0.5
170.00443	1.5
183.01202	46.8
184.01883	2.8
193.92647	0.5
197.02734	1.8
216.00912	1.2
225.05835	0.6
228.76231	0.6
239.07289	0.9
267.06549	0.6
318.97562	0.5
331.62479	0.4
337.18579	0.8
340.09616	0.7
355.19476	100.0
356.19812	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	355.2279
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
59.01364	1.6
85.02933	2.1
93.58072	0.8
107.05021	1.2
109.02945	2.3
111.00860	1.0
122.03748	11.7
127.07628	2.0
135.04524	28.2
136.01653	2.0
147.08138	2.5
149.06088	2.0
149.09744	8.3
151.07666	2.3
152.90024	1.0
154.02690	2.0
155.10831	1.0
161.09723	9.1
163.07643	4.0
163.11284	53.6
164.08430	17.7
164.11668	3.0
165.09242	6.9
175.62447	0.9
177.06952	1.1
177.09209	68.8
178.09959	23.3
179.10773	84.7
180.11125	4.1
183.10277	2.7
187.11334	1.6
191.10782	12.4
191.32986	1.1
192.22435	0.9
193.08704	8.8
199.02402	1.1
229.11163	1.0
280.14716	2.9
292.34183	0.8
298.15723	54.3
299.16150	5.3
307.16931	1.6
309.22354	1.2
337.21722	46.8
338.22122	5.7
340.20404	79.3
341.20779	10.5
352.57874	0.9
355.22781	100.0
356.23117	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	355.1187
Annotation	5-O-methylcelebixanthone
Peak:m/z	Relative Intensity
57.02542	0.9
59.01375	2.0
69.56153	5.6
73.02960	1.2
134.03717	1.3
135.04549	6.3
145.02951	7.5
146.03714	1.3
147.18556	0.9
149.06006	1.1
159.04498	2.0
169.06543	1.1
183.04454	1.1
194.05844	1.1
195.08185	1.2
196.05296	1.3
197.06035	2.8
207.08328	1.2
209.06032	1.1
210.06888	1.5
211.07611	3.8
222.06844	1.1
223.07556	1.1
224.04807	2.0
224.08495	1.6
225.05597	2.2
225.09210	2.5
235.07654	1.9
236.08424	1.3
238.06317	2.8
238.59219	0.9
239.07135	9.7
250.06337	1.6
252.07916	3.5
253.05124	4.0
253.08629	7.1
263.07034	4.5
264.07797	4.5
265.05185	1.1
265.08722	3.4
266.05890	2.5
266.09479	1.0
267.06604	43.8
268.07089	5.1
279.06702	2.3
279.10062	1.5
280.07394	18.2
281.08145	26.0
282.08673	2.7
283.09824	1.2
295.09766	21.9
296.10330	8.1
310.08502	1.4
311.09595	1.8
311.12918	2.1
321.02307	0.9
323.09122	5.3
324.10046	1.2
325.07178	6.4
327.71674	1.2
340.09503	70.5
341.09799	8.8
355.11877	100.0
355.24850	8.8
356.12299	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	355.1034
Annotation	Juglanoside E
Peak:m/z	Relative Intensity
54.96791	0.5
63.97157	0.5
69.56789	1.2
69.57207	1.9
95.77211	0.6
98.20616	1.1
106.04304	0.9
107.15587	0.5
117.84087	0.5
119.15227	0.5
121.02940	1.9
133.02956	1.7
134.03746	65.1
135.04068	2.9
137.02460	7.2
139.03987	2.1
149.06088	18.4
150.03223	1.0
150.06389	1.0
152.35390	0.5
171.69728	0.7
178.02718	36.3
178.72563	0.5
179.03046	1.8
193.05054	100.0
194.05417	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1183
Annotation	Acutissimalignan B
Peak:m/z	Relative Intensity
59.01370	2.2
69.33631	1.8
69.34055	2.2
71.01363	0.8
73.02944	0.8
75.88493	0.5
81.72162	0.5
96.95986	0.8
98.20679	1.1
101.77679	0.5
107.05020	1.4
109.02926	1.0
121.02972	0.7
134.03752	1.1
135.04521	10.0
145.02946	7.6
146.03696	1.2
149.06079	1.3
151.03952	0.6
156.94858	0.5
159.04492	1.9
161.46141	0.5
177.01906	0.6
194.05861	0.7
195.08174	0.6
196.05310	0.7
197.06046	1.6
204.13606	0.5
207.08182	0.8
209.06076	1.5
209.07973	1.1
210.06718	0.6
211.07617	3.8
221.05988	1.4
222.06752	0.5
223.07591	0.6
224.04773	2.2
224.08353	0.9
225.05522	2.5
225.09122	3.1
229.08755	0.6
235.07646	2.1
237.05489	1.2
237.09200	1.3
238.06409	3.4
239.07111	11.3
240.07516	1.2
249.05562	1.2
250.06323	0.9
251.07126	1.7
252.04085	0.8
252.07918	2.9
253.04993	4.3
253.08691	6.8
254.09084	0.8
263.07071	4.1
264.07794	2.8
265.05118	1.1
265.08643	4.1
266.05856	4.5
266.09152	1.6
267.06616	40.9
267.09982	1.7
268.07040	4.7
269.04578	0.9
271.06201	0.6
278.09274	0.7
279.06662	1.5
279.10269	1.6
280.07422	17.8
280.10333	0.7
281.08170	27.9
282.08652	3.5
284.10501	0.8
292.75772	0.7
295.06525	0.9
295.09744	25.2
296.07022	0.9
296.10367	8.0
297.07480	0.9
297.10776	0.9
310.08511	1.5
311.09180	1.4
311.12851	2.0
312.09885	2.1
322.08505	0.6
323.09192	4.5
324.09909	0.6
325.07214	6.8
325.10730	1.1
337.10809	1.2
339.57147	0.6
340.09506	65.7
341.09778	7.3
355.11847	100.0
356.12186	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.046
Annotation	Demethyltorosaflavone D
Peak:m/z	Relative Intensity
59.01362	2.0
71.01388	2.5
71.51895	2.5
72.12377	1.1
80.94283	1.1
108.02180	1.2
111.75589	1.2
123.04533	1.8
126.30647	1.2
134.03763	1.4
135.04562	3.4
137.02426	2.3
149.02475	1.1
151.03975	5.6
159.04549	1.2
161.02397	1.4
169.33736	1.2
177.01950	1.4
180.77802	1.1
183.04477	3.9
185.06229	1.4
192.90111	1.2
193.06615	2.6
195.02893	1.5
195.04474	1.5
196.05351	2.2
197.06010	2.2
209.06021	6.3
210.06705	1.5
211.03967	6.0
211.07591	3.3
213.05547	7.0
219.04573	1.8
220.00189	2.9
220.05240	2.3
221.06071	5.9
222.06866	3.1
223.07657	6.7
224.04820	3.7
225.05484	4.8
227.03520	2.8
231.10254	2.7
237.05536	9.8
238.06227	5.3
239.03470	2.2
239.07138	25.3
240.04016	1.6
240.07460	1.2
248.04845	2.4
249.05531	4.4
251.03523	2.4
255.03017	2.5
264.04382	3.4
265.05020	10.0
266.02316	1.3
266.05511	2.1
267.02643	1.4
267.06631	34.3
268.07022	3.2
275.03275	1.7
283.02451	9.8
283.06119	6.5
292.03818	5.4
293.04553	100.0
294.04883	8.2
295.02927	1.3
309.04205	2.0
311.05603	45.0
311.11124	2.0
312.06012	4.5
337.03534	62.1
338.03851	5.4
355.04504	49.3
356.04782	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	355.1034
Annotation	Juglanoside E
Peak:m/z	Relative Intensity
59.01375	0.7
71.00477	1.1
85.02932	0.7
86.91318	0.5
114.41871	0.5
119.19639	0.5
121.02959	1.4
121.39584	0.5
123.04553	0.6
133.02957	1.1
134.03738	96.7
135.04074	4.2
137.02415	4.1
139.03967	1.2
149.06078	27.3
150.06403	0.8
177.09245	0.6
178.02710	22.0
178.04283	1.1
179.03065	1.5
181.04997	0.8
193.05042	100.0
194.05336	5.5
254.76588	0.5
269.04468	0.5
311.05438	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48189	2.9
55.85334	2.4
59.01382	100.0
59.08122	2.6
61.98823	6.6
71.01381	26.9
71.50829	3.5
72.37424	2.9
73.02955	4.4
82.99046	2.9
85.02945	28.4
89.02473	14.3
96.96044	3.1
101.02464	8.2
107.05046	4.3
109.02985	3.0
113.02451	8.0
115.92078	5.1
119.03509	7.3
119.05016	5.2
129.01981	3.4
134.03741	46.4
135.04480	5.5
136.04929	3.1
137.02490	6.8
149.06091	13.2
150.33452	2.8
151.03952	2.9
161.04541	8.6
177.01915	4.1
177.09138	4.9
178.02672	18.6
179.05548	3.9
181.35571	2.9
191.05600	4.7
192.05814	2.9
193.05057	58.9
193.06781	4.8
196.03575	3.0
205.08702	4.4
209.03041	11.9
218.01662	2.9
223.09741	4.1
239.07118	3.7
248.07713	30.7
249.07806	2.6
249.11212	4.3
251.06416	3.1
267.06631	11.7
293.04544	3.7
295.13919	3.6
307.36975	2.7
310.04111	5.0
311.05753	7.5
321.65936	3.6
337.03363	3.7
354.03159	3.8
355.04449	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	353.2332
Annotation	Dihydroflexibilolide
Peak:m/z	Relative Intensity
51.62106	1.2
57.03444	14.1
59.01380	5.2
69.03456	8.5
71.01381	4.7
71.05011	6.1
71.52190	1.8
72.02155	3.4
73.02942	3.5
81.03468	1.2
81.07090	3.1
83.05024	5.2
84.13702	0.9
85.02939	1.9
85.06588	2.2
87.04508	6.8
95.05015	1.5
97.06579	1.4
98.03716	1.4
99.04518	3.0
101.06087	26.5
102.06428	1.4
102.69761	1.0
109.06599	4.9
111.04508	3.0
111.08150	17.4
113.06095	2.0
113.09659	2.1
120.26569	1.1
123.04512	2.4
123.08181	1.8
125.09729	3.3
127.07629	1.7
137.09708	4.7
139.11295	22.9
140.08429	4.4
140.11716	1.1
151.04022	6.8
151.11253	5.5
153.09213	1.3
153.12822	1.2
155.10797	1.9
164.12601	0.9
165.12836	1.9
167.10735	5.3
168.11559	24.9
169.12341	46.0
170.12624	2.5
181.12355	3.4
181.16025	2.5
183.08115	1.1
183.13896	37.9
184.14235	1.6
191.05701	1.3
191.14255	1.3
197.15378	2.5
198.12617	2.4
205.15964	1.2
209.15469	4.3
211.17039	2.7
213.11334	1.2
227.16507	2.4
233.19081	12.4
251.16594	2.8
251.20146	53.0
252.20515	4.1
265.21860	1.4
291.23294	7.1
309.24326	56.2
310.24670	5.6
335.22141	1.6
353.06705	1.7
353.23318	100.0
354.19727	1.8
354.23642	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	353.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30340	0.3
53.08682	0.3
59.01389	0.4
64.97028	0.5
65.34811	0.3
68.89809	0.2
70.92263	0.5
70.92593	0.4
79.95737	10.5
79.96210	0.6
80.96530	1.0
85.08160	0.2
92.45563	0.3
94.98106	0.8
95.95232	2.3
96.96013	77.6
100.10371	0.3
106.35190	0.2
110.67086	0.3
116.57481	0.3
122.97592	4.4
138.97102	0.3
163.11269	0.7
167.00143	0.4
177.09201	0.6
183.01205	0.6
191.05603	0.5
197.02744	3.5
198.03383	0.4
211.04324	0.4
226.31514	0.3
239.07536	0.3
329.90082	0.3
353.19986	100.0
354.20294	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	353.212
Annotation	Guayulin B
Peak:m/z	Relative Intensity
54.41399	0.3
55.14325	0.3
59.09710	0.3
63.04406	0.3
71.15553	0.3
79.95737	0.7
96.96015	4.9
98.19914	1.0
147.08098	0.4
153.56250	0.3
163.11285	95.3
164.11609	5.9
177.09204	72.5
178.09538	4.6
182.09145	0.3
190.10042	0.5
191.05539	0.4
197.02745	0.4
222.09004	0.4
353.21194	100.0
354.21542	14.2
354.26010	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2333
Annotation	(-)-Enunicelline
Peak:m/z	Relative Intensity
54.50979	1.0
55.01864	1.5
57.03449	8.9
57.26710	0.8
57.97004	0.7
59.01377	8.0
59.41573	0.9
62.07307	0.9
62.70379	0.9
67.72868	0.8
68.99825	1.0
69.03440	3.5
70.97404	1.4
70.97720	1.1
71.01376	2.8
71.05040	1.0
83.01370	1.9
83.05024	2.4
84.01720	0.7
84.02131	4.8
85.02946	33.9
97.02955	1.9
97.06564	1.0
99.08134	3.9
99.38950	0.8
109.06621	1.4
127.11301	1.0
129.09203	1.5
137.09697	0.9
139.11259	3.4
144.72775	0.8
149.09694	4.6
153.09216	1.0
167.10767	67.1
168.11101	2.4
191.05548	1.5
191.14406	2.1
195.10204	1.2
197.11826	3.8
207.13655	0.9
223.13348	2.5
235.13383	6.6
253.14331	1.2
273.22345	0.9
301.07077	0.9
317.21106	2.8
335.22241	1.6
341.91632	0.8
353.23294	100.0
354.23627	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	353.2332
Annotation	8-iso-13,14-dihydro-15-keto-PGF2alpha
Peak:m/z	Relative Intensity
57.03447	7.5
59.01375	5.2
64.44840	0.7
68.74821	0.8
69.03459	4.5
70.85470	1.8
70.85838	1.6
71.01376	2.4
71.05030	0.8
73.02944	1.6
83.01405	0.9
83.05004	2.3
84.02155	2.1
85.02950	18.3
95.05013	0.9
97.02937	4.2
97.06599	1.6
109.06571	3.8
110.03637	1.0
111.04488	2.8
111.08163	0.9
125.06039	0.9
127.07655	39.8
128.07956	1.5
139.11316	4.1
149.09738	2.3
151.11333	4.4
155.07137	2.9
161.09689	1.7
167.10800	1.2
177.09210	1.9
179.10780	0.9
183.10269	0.9
191.05591	1.3
195.10269	9.6
196.10580	1.1
213.11272	2.9
317.21158	2.1
320.83289	0.8
335.22241	2.2
353.23318	100.0
354.23584	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	353.124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81179	0.4
51.56662	0.3
53.98602	0.3
69.50738	2.8
77.95038	0.3
84.70668	0.4
91.05533	5.2
93.03462	1.4
106.04229	0.4
107.05031	15.0
110.74710	0.3
119.93619	0.4
121.02957	0.9
124.01679	1.4
125.02422	0.4
134.03799	0.5
135.04523	100.0
136.04802	3.8
146.07147	0.4
150.03220	0.8
151.03992	2.2
249.11288	0.4
277.10867	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1371
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72703	8.2
54.72061	7.4
56.88090	9.8
57.03445	10.7
59.01377	17.4
61.80980	8.1
69.46682	68.8
71.01363	11.0
71.20490	8.4
73.03689	8.6
83.05000	8.4
85.48263	8.2
88.80943	10.9
98.20723	13.1
99.04524	9.4
123.04549	22.8
124.58712	10.0
139.11348	10.2
151.03949	41.8
155.10767	8.7
189.05739	8.3
191.69795	8.5
211.07619	9.0
229.17119	10.8
251.16560	63.2
251.66710	15.2
255.06689	13.0
353.02963	13.8
353.16089	15.7
353.23221	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98436	0.7
62.87129	0.7
69.24092	6.0
79.95741	9.1
87.00847	0.8
87.96147	0.9
94.98067	1.1
95.95232	1.8
96.96014	79.0
122.97599	4.3
123.98121	0.7
125.15645	0.8
147.75258	0.7
155.60660	0.7
167.00113	0.8
178.29128	0.7
183.01178	3.0
191.05568	1.8
197.02751	1.1
197.46555	0.8
213.50581	0.8
225.05888	0.9
353.19998	100.0
354.20291	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	353.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73494	0.3
57.76182	0.3
59.01386	0.9
64.75330	0.3
66.02969	0.4
68.13766	0.3
70.04549	0.6
70.04964	1.0
73.88862	0.3
77.83633	0.4
80.22613	0.3
91.05526	4.2
93.03469	1.2
97.06603	0.6
98.20580	0.5
98.81638	0.4
103.61233	0.3
107.05032	13.7
108.05382	0.3
121.02944	0.9
124.01675	1.7
125.02402	0.5
133.03020	0.3
134.03729	0.7
135.04524	100.0
136.04779	3.2
137.06090	0.9
146.52246	0.3
150.03242	0.8
151.04018	2.9
165.59091	0.3
171.27452	0.3
177.01910	2.2
180.04024	0.3
181.05023	2.0
189.05606	0.6
191.05467	0.3
193.92336	0.3
195.30946	0.3
203.07320	0.3
213.83316	0.4
229.08749	0.4
231.06612	0.9
255.06624	0.7
273.07672	17.4
274.08035	1.2
277.10782	2.9
279.06897	0.3
313.89597	0.3
353.03128	2.8
379.59106	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64877	0.3
57.87146	0.3
59.01374	0.7
66.68877	0.3
69.47817	1.6
74.66530	0.3
91.05538	4.5
93.03474	1.6
95.49147	0.4
97.06606	0.5
101.11159	0.3
107.05032	15.4
108.05367	0.7
121.02940	1.0
124.01677	1.2
125.02480	0.4
135.04529	100.0
136.04791	3.5
137.06088	0.7
150.03232	0.7
151.04007	2.8
181.05110	0.6
273.07697	2.9
277.10767	2.3
283.98914	0.4
353.03455	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.124
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31480	0.4
59.01360	0.5
63.99058	0.3
66.82552	0.3
69.23504	1.8
69.23920	1.0
71.01359	0.3
83.02202	0.3
91.05537	4.4
93.03465	1.2
93.54108	0.3
94.61504	0.3
96.96005	2.0
97.06602	0.4
107.05034	16.3
108.05356	0.9
111.00906	0.3
114.45012	0.3
121.02945	1.1
124.01642	1.7
125.02457	0.6
127.00031	0.3
130.27522	0.3
134.03764	0.9
135.04524	100.0
136.04813	3.8
149.06084	5.4
150.03223	1.2
151.04030	2.8
180.04149	0.4
181.05042	0.6
196.51700	0.4
206.47659	0.3
211.41946	0.3
229.69608	0.3
277.10767	0.9
325.66019	0.3
353.16476	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1028
Annotation	Viridiol
Peak:m/z	Relative Intensity
52.72317	0.8
58.03243	0.7
58.18239	0.8
59.01373	1.4
71.01355	0.9
71.52370	1.0
78.73683	0.8
79.52244	0.8
95.89514	0.8
110.65754	0.8
117.03449	0.9
119.04987	0.9
133.02921	2.0
134.03725	1.1
135.04558	1.0
145.02979	6.2
147.04497	1.5
149.06137	1.1
151.04028	1.1
159.04530	1.7
173.06073	1.1
177.86617	0.9
179.08568	1.0
193.05014	3.4
195.04539	1.0
195.08141	4.6
205.06555	2.9
206.07373	3.6
207.06610	1.3
207.08206	10.8
208.05298	1.7
208.08775	2.0
209.06065	5.5
217.01421	1.0
217.06677	1.2
219.08183	1.5
221.05989	1.4
222.06837	3.0
223.07660	11.4
224.04816	1.8
224.08092	1.1
233.06084	6.0
234.06824	8.0
235.07625	17.5
236.08105	1.6
237.05609	1.5
238.10065	0.9
245.06067	1.3
246.06816	1.9
247.07687	1.9
248.08194	1.2
249.05632	1.9
249.09145	1.0
250.06294	6.7
251.07126	71.4
252.07397	6.0
253.05150	1.2
261.05673	4.5
262.06369	8.3
263.07114	28.5
264.07855	14.5
265.05182	1.0
265.08600	4.4
266.09283	1.5
267.06616	2.9
273.63364	0.8
276.07840	1.4
277.05078	1.3
277.08630	4.0
278.05869	3.0
278.09467	2.3
279.06622	66.0
279.10043	2.2
280.06958	6.9
282.09021	5.3
292.07526	1.6
293.08163	6.6
294.05713	1.2
294.08951	22.7
295.06128	31.6
295.09097	1.6
296.06473	2.2
297.07635	1.2
306.05258	1.3
307.06085	13.8
308.06699	4.8
309.04376	1.3
309.07654	4.2
309.11346	3.3
310.08414	8.7
311.08789	1.0
321.07614	7.5
322.04904	1.4
322.08423	24.3
323.05594	70.1
323.09036	6.8
324.05957	7.0
337.07117	11.7
338.03635	1.3
338.07935	92.7
339.08255	8.5
353.10281	100.0
353.23221	8.8
354.10617	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	353.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	25.1
60.82097	2.6
62.25727	2.6
62.35048	3.0
67.14963	3.0
71.01382	24.1
71.07569	6.1
73.02945	24.7
81.61700	3.0
82.88091	2.8
83.01394	3.4
83.05037	7.6
85.02936	11.6
87.00886	8.5
89.02451	18.4
93.03459	60.4
99.00882	5.0
99.04527	6.5
101.02441	10.7
109.02974	4.9
111.04516	17.2
113.02436	5.5
116.33208	2.7
119.03536	4.3
129.01897	3.3
135.04489	4.3
137.02429	15.4
143.03464	5.5
153.01888	2.9
155.03476	9.7
173.04550	100.0
174.04826	3.5
179.05591	6.4
191.05611	55.9
192.05838	3.0
353.10800	11.1
353.14621	3.8
363.31995	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	353.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45943	1.9
58.00606	1.7
59.01381	19.2
69.46194	3.6
69.46603	8.9
71.01379	14.7
73.02951	19.8
75.00874	1.9
81.03432	2.5
83.01387	2.0
83.05025	7.4
85.02962	7.1
87.00893	2.7
89.02454	20.3
93.03463	50.5
99.00875	5.1
99.04524	4.7
101.02425	3.6
111.04519	22.2
113.02422	5.9
137.02454	17.2
143.03473	4.4
155.03496	8.4
161.04591	2.7
164.36366	1.8
173.04553	100.0
174.04903	3.5
179.05632	5.8
189.15016	1.9
191.05612	24.4
353.10806	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	353.0302
Annotation	BM 2419-1
Peak:m/z	Relative Intensity
56.94678	0.4
59.01376	2.7
59.84480	0.4
60.36956	0.4
62.70044	0.4
70.90223	1.0
71.01373	0.4
80.38962	0.4
89.03966	1.0
91.01877	0.6
96.95986	0.6
105.03477	1.9
109.02953	0.9
121.02998	0.5
133.02965	4.2
135.00854	1.6
135.04469	0.9
145.02943	0.7
147.00890	0.7
148.01765	0.5
149.02463	1.9
154.85570	0.4
161.02438	1.0
163.04044	0.5
166.72079	0.4
171.08090	0.9
175.00345	0.7
175.07500	0.4
176.01221	0.9
177.01926	48.8
178.02225	1.9
181.06641	0.6
183.04543	0.5
184.05099	0.4
185.06119	1.8
186.06618	0.5
187.07616	2.4
187.09061	0.4
187.11191	0.6
189.01825	1.9
190.02403	0.4
191.05310	0.5
197.09799	0.8
199.07639	2.1
202.99866	0.4
207.04507	0.4
209.06049	1.6
211.03979	1.7
215.10767	5.9
216.00635	1.6
217.01414	8.2
218.01845	0.7
219.04465	0.9
223.03954	0.6
225.05516	0.9
227.03493	1.0
229.05072	2.2
235.03992	1.5
236.04741	0.4
237.05614	1.5
239.03455	1.5
241.05122	0.4
241.82698	0.4
242.39140	0.4
251.03467	1.2
253.05046	3.3
255.02759	0.7
257.04544	4.8
258.04745	0.5
259.09756	3.2
263.03513	2.8
265.04962	1.6
266.05652	0.5
267.03052	1.0
269.04614	0.8
277.10791	1.3
279.02960	6.8
280.03497	1.4
281.04477	3.6
283.02502	1.4
291.02960	0.9
294.05258	0.6
297.04019	5.4
298.00891	0.7
298.04068	0.4
307.02478	1.4
309.04031	4.5
309.10977	0.4
310.04086	0.6
325.03513	1.3
335.01947	6.4
336.02353	0.6
353.03000	100.0
354.03308	9.5
354.07529	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.216
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.5
61.98833	0.9
69.03452	0.4
69.38667	0.4
79.95738	10.2
80.96523	0.8
93.13142	0.4
95.95226	6.4
96.51765	0.5
96.96011	100.0
138.97087	1.0
141.95802	0.4
152.00241	5.2
154.01790	0.5
178.79272	0.5
183.01065	0.4
191.05647	0.9
228.08936	0.5
300.08765	0.5
308.19049	3.6
352.21609	98.9
353.17801	1.0
353.21844	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0302
Annotation	Unknow
Peak:m/z	Relative Intensity
68.02314	0.6
69.79589	3.1
76.95393	0.5
77.14804	0.5
105.03452	0.6
130.13930	0.5
133.02939	2.1
135.00919	0.5
135.04541	3.4
145.02930	0.8
149.02428	0.8
161.06104	0.6
167.05006	0.6
177.01924	17.9
178.02238	0.9
180.05833	0.7
181.06590	1.3
185.06067	0.8
187.07578	0.9
189.01910	0.9
189.09175	0.6
191.05168	0.8
193.06552	2.9
195.04431	0.9
197.06073	1.3
201.01981	1.0
201.91444	0.5
203.07133	0.8
205.08546	0.6
207.04535	1.2
208.05130	0.7
209.06065	4.3
211.04004	1.1
217.01355	6.0
217.08745	0.7
219.04530	1.3
223.04010	0.7
225.05595	2.0
229.04935	0.6
233.11816	1.6
235.04018	3.5
236.04649	1.3
237.05551	6.4
239.03413	0.8
251.03529	3.3
252.04176	0.9
253.05042	4.5
255.86131	0.6
257.04422	1.1
263.03409	3.0
264.03915	0.7
265.04932	1.4
272.30615	0.6
277.10825	5.1
279.03033	4.5
280.03589	1.4
281.04535	7.1
282.04678	0.8
291.02847	0.6
297.03851	2.6
307.02502	6.7
308.03030	1.9
309.04041	20.6
309.13419	1.6
310.04428	1.8
325.03506	2.5
335.01962	25.9
336.02371	2.0
353.02997	100.0
354.03375	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	352.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68953	0.8
57.97560	100.0
59.01378	99.9
59.01630	1.1
59.01694	2.1
60.01711	3.4
63.13719	0.8
69.48798	6.2
71.01379	3.9
85.02976	0.9
101.02436	1.2
115.00379	1.3
121.02931	1.1
123.04465	0.8
130.03288	3.3
133.02959	2.2
135.04550	1.8
144.18285	0.8
151.03964	1.8
162.01958	3.9
177.01990	5.4
177.03264	1.2
187.07626	1.0
191.05490	0.9
217.01407	2.5
220.37987	0.8
237.05481	1.4
253.04810	1.0
265.04816	1.3
266.05780	1.3
277.10873	1.3
279.03311	1.0
281.04474	1.3
293.04330	1.2
294.05316	1.7
309.03851	3.7
309.07471	1.6
349.89536	0.9
351.01526	0.9
352.05228	2.1
353.03018	13.1
353.06754	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.9
57.97563	1.1
59.01377	100.0
60.01707	0.9
71.01373	4.5
73.02940	0.8
83.06153	1.1
85.02939	1.6
89.02471	0.8
99.00851	0.7
101.02438	3.0
109.63361	0.5
113.02490	1.4
117.03444	0.6
158.89290	0.6
159.02963	0.6
161.04570	2.2
202.82672	0.7
235.13318	2.7
291.18182	3.9
317.17200	1.3
344.92789	0.5
351.21805	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2177
Annotation	Cinncassiol D4
Peak:m/z	Relative Intensity
57.03248	2.6
57.03453	28.7
58.06097	2.9
58.30969	3.3
59.01384	40.9
69.03445	12.8
71.01378	6.8
71.05013	4.6
73.02953	6.5
76.94437	3.1
81.03457	3.4
83.05033	18.2
85.02961	3.1
93.03458	3.1
95.05054	4.5
97.06660	4.8
99.08169	7.2
107.05009	3.9
109.06557	6.4
113.02444	4.1
113.09681	2.5
115.07646	6.6
121.02919	3.0
127.07629	7.4
127.11320	3.2
129.08330	3.9
129.09222	51.5
135.04424	3.5
135.08138	4.0
140.78307	2.8
141.09219	23.3
149.09775	5.2
150.70326	3.1
151.11180	3.3
153.09166	5.3
155.10800	18.2
165.12785	5.1
167.10759	11.0
177.12804	5.1
178.09998	19.0
184.10968	6.9
189.12856	7.4
191.14479	3.6
195.10251	6.8
209.11865	28.7
210.11972	3.1
217.15848	3.7
221.11815	23.2
222.12064	4.5
223.13330	4.8
233.11795	7.5
235.13380	66.7
236.13623	4.2
271.20609	12.0
289.21768	4.5
315.19513	20.0
316.19931	4.1
319.14420	5.4
333.20728	100.0
334.20953	10.8
350.54016	3.3
351.17975	3.8
351.21750	64.6
352.22147	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	351.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.6
57.03439	2.4
57.97561	0.9
58.00584	2.8
59.01377	100.0
60.01729	0.9
60.02104	0.8
60.57418	0.9
61.43547	0.8
65.56720	0.7
67.02995	1.3
69.34003	7.9
71.01380	65.4
72.01714	0.9
72.99303	1.7
73.02942	12.1
75.00863	0.9
78.58949	0.8
83.01386	5.7
83.06148	38.3
85.02953	20.9
87.00867	2.7
87.22512	0.9
89.02446	26.0
95.01382	3.3
97.02934	1.0
98.20720	1.6
99.00897	5.5
101.02438	40.6
105.03413	1.2
113.02444	25.2
119.03516	10.2
119.71056	1.0
135.04492	1.1
143.03500	2.7
159.02962	4.7
161.02541	6.3
161.04544	28.3
166.26659	0.9
170.52692	0.8
171.09547	1.5
179.05429	0.9
189.10646	2.2
219.02876	5.0
233.10364	2.1
250.52347	0.8
291.18121	1.6
317.17142	53.6
318.17566	5.2
351.16141	4.3
351.21207	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97558	21.5
59.01376	100.0
69.66799	5.1
71.01377	4.8
84.02158	0.7
88.82021	0.8
96.96004	0.9
104.88581	0.8
115.00406	1.4
115.66390	0.8
116.38936	0.8
118.01546	0.8
133.01381	1.2
135.04550	1.0
159.04488	0.9
160.01729	0.9
161.02455	4.2
177.01952	1.1
180.69933	0.8
187.07591	0.8
189.01932	1.3
206.99855	0.8
218.42491	0.9
219.02942	1.9
235.09756	1.3
279.03058	1.1
307.02405	1.7
308.03177	2.7
319.02158	1.1
336.02618	2.3
351.04901	7.2
351.11389	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	40.8
61.98824	2.7
71.01379	22.0
71.39974	1.1
71.50468	1.2
72.99293	1.1
73.02945	29.2
83.01373	9.2
86.85922	1.2
87.00861	2.4
89.02428	2.9
93.03522	1.2
101.02452	19.4
113.02451	4.2
115.00398	1.7
119.03484	2.1
120.61703	1.1
123.04525	42.0
124.04848	1.5
129.05606	2.4
133.01396	1.5
133.02945	4.2
151.04004	3.0
153.05571	100.0
154.05911	3.0
158.52907	1.3
161.04620	3.3
177.01891	2.0
235.26808	1.1
259.68256	1.1
315.10864	19.5
316.11230	1.6
329.35959	1.4
351.03824	1.8
351.12939	25.0
351.16971	2.2
352.13068	2.2
367.44858	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
57.53256	3.2
59.01389	18.4
64.21497	3.7
68.91756	3.6
69.23697	25.6
69.24100	6.3
71.01381	7.8
73.02952	8.0
87.90619	3.3
98.19930	6.1
101.02448	4.4
115.00365	6.0
119.04990	5.9
133.01440	5.3
135.04529	3.9
146.03699	6.9
172.05316	13.1
173.05997	5.2
175.07590	14.8
177.01791	3.6
187.07640	100.0
188.08003	6.5
202.09903	4.2
203.10789	38.9
204.11017	4.5
212.82057	3.0
213.09239	5.4
224.91237	3.1
226.99417	3.7
231.06635	83.4
231.10187	48.9
232.06892	5.7
232.10472	4.7
244.18292	3.3
275.09277	22.5
276.09421	4.5
284.58804	3.5
307.11868	68.8
308.12177	5.2
351.10822	4.1
368.61859	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	349.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59464	0.9
59.01368	2.5
63.75928	0.9
65.62846	1.1
69.20992	0.9
70.43281	3.2
71.01406	1.4
75.12951	1.1
77.03957	2.5
81.03439	2.0
89.03969	6.2
93.03401	1.2
95.05010	2.5
96.78799	0.9
105.03461	61.8
106.03802	2.2
108.02151	5.5
109.02953	23.2
110.66740	1.1
119.04967	1.0
121.02954	18.6
122.03769	1.3
123.04513	2.4
133.02956	33.2
133.83110	1.0
134.03409	1.1
135.04492	3.3
136.01649	5.4
137.02443	10.4
139.11247	1.5
148.01671	14.9
149.02438	34.8
150.03189	2.5
161.02464	3.7
162.03157	3.3
163.04015	12.8
177.01926	72.1
178.02617	5.9
188.04753	2.0
191.03494	2.0
194.05809	2.2
195.06619	1.4
209.04565	27.1
210.05252	5.9
222.05315	1.2
245.11752	7.4
245.47989	1.2
247.13390	1.8
269.04474	1.6
275.12994	2.6
289.14426	1.3
317.13913	100.0
318.14291	12.3
349.16687	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	349.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01699	1.1
64.52692	0.8
71.01380	4.6
71.53170	1.3
73.02924	0.8
85.02989	1.0
89.02428	3.6
92.52188	0.7
96.96008	1.7
101.02447	1.1
113.02445	2.2
119.03462	0.9
128.19070	0.8
131.76355	0.8
145.02959	1.1
148.01657	1.3
155.07127	1.1
167.03999	0.8
208.03563	1.0
229.06105	0.9
245.08063	1.5
270.51437	0.8
303.26205	0.8
317.06476	1.6
349.20117	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1865
Annotation	Sachaloside VII
Peak:m/z	Relative Intensity
55.01873	2.4
57.03452	2.9
58.00599	4.5
59.01378	100.0
68.99809	0.6
69.03447	1.6
70.64886	2.1
71.01380	88.6
71.05027	0.5
72.01685	0.8
72.99310	5.8
73.02942	8.9
75.00866	1.3
75.24050	0.5
81.07124	0.7
83.01382	4.5
85.02947	23.0
87.00880	3.7
87.01305	0.6
87.04517	3.2
88.49228	0.6
89.02443	70.6
90.02773	1.1
95.01389	7.0
96.95969	0.6
97.02917	0.9
97.06556	1.1
99.00860	4.1
101.02439	51.5
102.02750	1.7
113.02449	33.2
115.00331	1.5
116.80640	0.8
119.03499	31.8
120.03847	0.7
125.02392	1.3
128.03494	1.5
128.23582	0.7
131.03436	2.6
133.01422	0.8
133.02922	0.8
135.04468	2.1
143.03517	4.3
149.04457	1.2
159.02986	3.7
159.04080	0.7
161.02415	1.1
161.04559	22.5
168.13640	0.6
172.05305	7.5
173.05833	0.9
173.98010	0.6
176.00987	1.9
179.05630	3.8
182.91234	0.7
185.05997	0.9
186.06866	3.8
187.13387	10.0
190.65884	0.7
191.50436	0.6
193.90018	0.7
200.04599	1.8
201.09216	13.1
202.09419	1.4
218.05777	0.7
227.06902	0.7
229.08696	3.1
233.08997	0.9
245.07962	2.2
331.09055	0.9
349.09579	1.8
349.14499	4.5
349.18222	16.0
350.09875	0.7
350.18753	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97227	0.3
58.74241	0.3
59.01365	0.9
61.98807	0.6
70.05956	0.6
70.06347	0.6
71.01363	0.4
79.84621	0.3
82.63366	0.3
85.03002	0.3
98.20657	0.3
110.22821	0.3
131.42482	0.3
133.02994	0.3
144.04546	100.0
145.04886	4.1
153.05579	0.3
163.42500	0.3
184.97629	0.3
191.05641	0.5
192.05937	0.5
192.95648	0.3
228.06737	0.3
234.67342	0.3
290.02792	0.7
306.09946	0.9
346.72006	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0928
Annotation	6-[2,3-Dihydroxy-1-(hydroxymethyl)propyl]-1,2-dihydro-7-hydroxy-9-methoxy-cyclopenta[c][1]benzopyran-3,4-dione
Peak:m/z	Relative Intensity
59.01373	1.9
69.26396	5.8
71.01391	0.8
76.78898	0.8
82.61662	0.8
89.55196	0.9
120.01814	0.9
161.02466	1.4
173.02359	1.6
174.03224	3.8
175.03836	0.9
176.01135	3.8
177.01970	1.3
187.03972	1.4
189.01881	2.2
189.05537	4.1
190.02666	1.6
199.04085	2.0
201.01921	30.7
201.03799	1.6
202.02582	3.5
202.06349	1.7
203.03392	0.9
203.07103	2.5
211.03915	1.4
214.02678	2.6
215.03490	24.6
216.04237	22.4
217.05016	9.8
229.05037	29.8
230.05588	3.8
231.06589	2.0
244.03690	10.7
245.01042	1.3
245.08160	29.6
246.08493	1.2
252.04994	0.8
273.04211	3.9
273.07666	37.9
274.08020	3.3
289.07404	1.6
307.68225	0.9
317.06650	86.8
318.07086	5.4
349.09268	100.0
350.09479	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	349.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39919	0.7
59.01381	100.0
60.01711	0.8
66.40810	0.9
67.06389	0.7
69.03461	4.7
69.39110	0.7
71.01392	7.3
71.51866	1.1
73.02922	1.2
79.95752	0.9
85.02952	2.6
87.00887	2.1
89.02438	5.6
89.84380	0.8
96.96017	1.3
97.02987	1.1
99.00899	2.0
101.02438	4.2
113.02441	3.0
119.03488	1.8
125.02348	0.8
125.63798	0.8
133.01427	1.1
135.04495	0.8
185.00912	1.2
191.35416	0.8
203.01938	2.0
219.10689	5.4
254.69193	0.8
259.09650	1.0
263.13043	1.0
349.12961	4.5
349.18771	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88063	1.1
57.90351	1.0
58.28530	1.0
59.01380	48.6
61.98844	1.6
74.70825	1.3
81.35217	1.2
83.54122	1.2
89.03941	2.0
94.40498	1.1
95.04990	1.3
105.03466	14.4
108.02176	1.6
109.02946	5.2
121.02951	4.1
122.03792	1.2
133.02931	8.5
135.04550	1.5
137.02380	2.0
148.01659	3.1
149.02429	10.3
150.03160	1.3
163.04001	3.0
177.01915	19.3
178.02711	2.4
181.12456	1.2
201.55681	1.2
209.04521	8.0
210.05368	1.2
217.05040	1.2
224.38226	1.3
225.05597	8.0
227.03529	1.1
241.05075	2.5
269.04541	100.0
275.12997	1.2
317.13904	24.1
349.20099	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.986
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37871	0.4
61.98832	100.0
62.98514	0.4
63.99260	0.9
66.14741	0.4
68.14095	0.4
70.64786	0.5
70.65121	0.8
77.22794	0.4
96.03671	0.4
162.98453	1.3
191.96378	0.4
204.00020	1.1
205.00107	3.0
205.99738	4.0
206.97450	59.4
207.97581	5.1
245.75490	0.5
346.69720	0.4
348.98505	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0022
Annotation	Apigenin 7-sulfate
Peak:m/z	Relative Intensity
50.34718	0.3
59.01372	0.5
61.40267	0.3
69.72114	1.7
105.03461	2.2
109.02963	0.9
121.02908	0.4
133.02943	1.3
148.01683	0.5
149.02441	1.2
163.03912	0.4
177.01952	2.8
179.60402	0.3
181.06602	0.8
197.06081	0.7
209.04506	1.4
225.05554	10.0
226.05898	0.6
241.05063	3.2
269.04538	100.0
270.04877	8.8
317.13889	3.1
349.00140	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13305	1.5
70.81937	4.7
71.53369	1.6
83.05027	1.9
86.02481	1.9
90.10845	1.8
110.06345	1.6
119.08661	7.3
120.01255	26.9
137.09711	12.3
143.38304	1.6
145.10226	21.4
163.07640	3.6
163.11302	3.7
169.61392	1.6
181.08688	4.4
182.18669	1.8
187.58400	1.5
225.11308	45.3
226.11650	2.8
259.10080	62.2
260.10281	5.3
302.12976	3.5
346.13254	100.0
347.13626	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1709
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
55.01869	2.1
57.03437	1.3
58.00592	0.5
59.01379	25.3
71.01379	17.5
72.99295	1.6
73.02955	3.5
83.01404	3.8
85.02953	7.7
86.37491	0.5
86.38066	0.5
87.00876	1.1
89.02453	7.4
95.01398	1.8
95.71211	0.5
95.94404	0.5
96.95979	0.6
98.19860	1.2
99.00867	1.0
101.02442	12.1
112.84797	0.7
113.02425	6.0
119.03506	2.5
137.02441	0.6
139.57855	0.6
141.09256	0.8
167.10797	2.7
184.52032	0.5
185.11821	7.2
228.95135	0.6
277.38495	0.6
329.15997	2.2
347.17087	100.0
348.17447	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	347.1866
Annotation	SPHAEROPSIDIN B
Peak:m/z	Relative Intensity
50.26025	0.5
52.89072	0.5
57.03460	0.6
60.99312	5.3
64.31911	0.5
65.84496	0.5
71.52857	0.7
71.53292	0.6
81.03456	0.6
82.16024	0.5
90.02003	0.5
96.96038	0.7
105.03455	6.1
107.05122	0.5
107.21032	0.5
109.02951	1.5
109.06004	0.5
121.02949	0.9
123.04514	0.6
133.02975	2.5
135.04510	1.1
135.08133	0.7
137.02399	2.0
148.01596	1.2
149.02449	2.2
149.09698	1.9
163.03984	1.4
177.01927	5.4
178.02499	0.6
179.03477	0.6
197.13316	0.8
199.11313	0.6
209.04541	2.0
215.14404	2.8
218.19868	0.5
227.87683	0.6
229.16013	6.1
239.14336	1.5
239.18010	9.5
245.15422	1.0
255.17563	5.6
256.17825	0.8
257.19006	2.9
258.19223	0.6
267.17545	4.4
273.18558	1.9
284.29703	0.6
285.18600	8.8
286.18936	0.8
303.19601	1.1
315.12384	6.8
316.12750	0.6
347.18607	100.0
348.19000	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	346.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	8.4
61.98819	2.4
71.01385	1.6
71.10105	1.9
74.02058	0.8
109.03032	1.0
115.16647	0.8
135.04497	1.0
141.09268	0.8
176.03508	3.9
176.07137	2.5
177.01930	2.1
185.08197	1.1
190.05157	1.3
203.05876	16.7
204.06650	14.1
205.07437	100.0
206.07770	5.7
227.06789	1.5
230.04646	1.0
248.05641	6.8
249.06415	49.6
250.06793	3.2
256.06903	0.8
264.32462	0.7
268.06924	1.4
298.11624	1.6
346.13092	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03740	1.0
55.16399	0.9
59.01378	100.0
60.04852	1.0
62.28858	0.8
62.75436	1.0
69.03447	1.0
70.81145	1.9
70.81468	1.5
71.01385	5.5
73.02965	1.4
78.41272	1.0
85.02937	2.8
87.04081	1.0
88.21769	1.1
89.92516	1.0
96.96027	1.1
99.00874	1.1
101.02441	3.5
111.00884	1.3
113.86031	0.9
123.04521	1.6
134.03702	1.0
134.81390	1.1
138.28717	1.0
152.34146	1.0
161.04692	1.4
161.48260	1.0
166.57825	0.9
187.03888	1.4
231.02768	1.3
234.81427	1.1
271.13446	1.6
289.14621	1.0
303.17972	1.9
313.10614	1.4
319.09576	1.1
345.13333	8.2
345.17209	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	346.0117
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.4
60.01741	0.3
61.98830	100.0
70.68211	0.5
77.20744	0.2
79.56104	0.2
88.63103	0.2
96.81557	0.2
99.21386	0.2
159.03281	0.3
174.40610	0.2
201.02567	0.7
202.02693	2.1
203.02249	1.7
203.99986	47.5
205.00116	3.1
259.31494	0.2
346.01111	0.8
361.99890	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	5.9
66.29939	0.8
69.61106	5.0
71.01385	5.9
72.01722	1.1
73.02912	0.8
85.02920	1.3
89.02442	1.6
97.02898	0.8
101.02440	3.0
105.67097	0.7
107.06969	1.1
113.02462	1.1
115.00352	0.9
119.03506	1.2
124.07675	1.7
132.04581	5.5
132.18921	0.7
133.04993	3.5
134.05675	1.7
135.06371	1.1
165.04333	3.9
166.04588	3.1
176.03545	3.8
176.07162	2.6
177.04225	1.2
190.05049	1.0
203.05882	12.9
204.06635	16.8
205.07431	100.0
206.07793	5.8
209.03374	1.5
216.12267	1.2
230.04477	1.1
230.10303	0.9
242.10025	0.9
248.05664	7.2
249.06413	43.4
250.06708	3.0
258.13242	5.4
284.11124	2.4
290.32928	0.9
302.12299	4.4
346.11215	23.3
346.15686	1.9
347.11578	2.2
347.16617	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	1.6
62.52802	0.5
67.30206	0.4
71.30982	0.5
71.51880	0.7
79.95728	2.6
87.14097	0.5
96.96010	100.0
102.53417	0.5
115.20709	0.5
123.04533	1.1
136.57434	0.5
147.83496	0.5
161.95218	0.5
179.48772	0.4
185.02620	0.5
210.62996	0.5
262.45502	0.4
345.17380	58.4
346.13834	0.8
346.17657	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1554
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
51.48306	1.1
55.01865	4.5
57.03426	4.1
57.22308	1.2
58.00587	2.6
59.01379	72.3
70.84552	2.4
71.01382	66.4
72.67405	1.1
72.99292	4.4
73.02949	14.3
74.45140	1.1
82.27241	1.3
83.01395	8.8
85.02950	27.1
86.00090	1.7
87.00864	3.9
89.02448	38.6
93.98615	1.1
95.01380	5.2
99.00891	5.9
99.78257	1.4
101.02441	45.8
102.73551	1.3
103.24286	1.3
113.02442	25.2
119.03513	16.6
121.10229	13.6
124.01611	1.5
132.04530	5.6
133.05321	2.6
135.04527	3.0
139.11250	1.9
143.03473	3.0
161.04564	8.4
165.04219	2.2
165.09221	1.9
179.05579	2.2
183.10310	2.3
257.12964	4.8
301.07181	2.3
301.11902	3.1
301.16602	2.4
305.10898	1.3
345.10843	13.9
345.15463	100.0
346.12036	1.8
346.15906	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	345.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	4.4
56.19542	1.1
57.03429	1.9
58.00593	1.5
59.01378	74.7
69.25890	8.4
69.26292	1.9
71.01380	64.4
72.99297	3.6
73.02951	17.2
83.01385	10.0
85.02953	26.0
86.00085	1.1
87.00867	3.6
88.74435	1.1
89.02444	37.8
95.01370	4.7
97.02981	1.1
99.00887	6.7
101.02438	48.1
101.03107	2.4
113.02451	25.6
119.03496	17.7
121.10217	11.7
124.07638	2.2
132.04541	6.9
133.05283	4.1
135.04482	2.3
137.02473	1.5
139.11214	1.8
143.03511	2.2
159.02988	3.2
161.04539	7.0
165.04288	4.7
165.09175	2.5
177.04309	1.3
179.05501	2.6
183.10300	2.1
186.09169	2.2
193.53235	1.1
209.03302	2.1
215.11879	2.6
233.86909	1.1
257.12918	5.5
283.10965	1.6
301.11771	2.6
301.16531	2.0
345.10852	17.7
345.15436	100.0
346.12003	1.5
346.15945	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	86.4
61.98817	4.8
65.03973	9.8
70.65741	12.8
71.01382	39.9
72.21625	3.7
72.99295	5.0
73.02961	5.0
78.95913	8.1
80.02673	17.6
81.31001	4.2
85.02957	12.8
89.02442	39.6
91.05516	4.6
93.07080	4.9
95.01379	5.3
96.96004	15.4
96.96967	5.1
101.02436	24.5
103.05540	83.2
106.04247	36.6
109.02969	22.1
109.06604	7.6
113.02456	15.6
119.03487	15.6
119.05032	14.8
120.01270	5.7
121.02952	6.1
121.06603	100.0
122.06958	4.3
123.00851	6.7
123.04514	16.5
124.01624	19.5
133.01418	4.3
133.02946	5.1
135.04532	12.6
137.02451	12.5
139.04018	11.8
139.07651	6.1
148.39404	4.1
149.02444	10.4
161.08260	4.1
161.90044	4.0
165.01947	13.5
165.05573	97.0
166.99899	3.8
167.03476	8.8
168.00638	12.5
177.01953	13.6
183.03001	38.3
183.06587	5.0
185.06067	5.8
187.03952	4.0
209.04469	9.7
213.05547	7.3
239.07188	4.1
240.04301	4.7
241.04930	6.7
256.07034	5.6
257.04764	4.5
259.10046	9.5
267.02887	6.0
267.06497	6.3
285.03952	12.8
297.11353	8.3
301.12778	5.2
313.06708	4.6
317.06543	20.8
342.58954	4.3
345.05914	45.5
345.11838	12.2
346.06128	4.5
346.13156	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	345.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
58.67889	2.6
59.01380	40.3
61.04999	3.3
63.29859	3.0
65.03973	5.2
71.01382	49.6
71.39169	3.0
71.51833	4.6
72.99313	4.6
73.02946	8.9
80.02686	5.4
83.01407	5.6
84.80609	3.1
85.02948	13.0
89.02441	24.9
91.05534	22.5
93.03463	6.1
95.01375	5.2
96.96019	9.6
101.02428	28.3
103.05543	27.2
106.04266	15.2
109.02949	7.7
109.06592	63.2
110.03741	15.9
111.08150	7.8
113.02451	18.5
119.03537	7.6
119.05019	11.0
120.01215	5.7
121.05718	5.6
121.06593	100.0
123.04512	16.5
124.01637	6.3
135.04526	9.8
137.02438	9.7
139.04007	4.8
139.07646	47.1
149.02428	4.9
151.04030	7.0
151.51236	3.5
159.02943	5.2
161.04613	16.2
165.01932	12.6
165.05553	28.5
167.03537	4.4
177.01947	6.2
183.06705	3.2
209.04555	10.4
213.05457	5.7
225.11220	7.2
243.02971	3.9
247.64987	3.0
259.10077	10.9
267.03085	4.8
285.03955	3.8
297.11395	8.3
301.12701	4.2
317.06668	13.6
345.05890	22.3
345.11856	5.8
346.13458	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	8.3
59.68607	0.8
66.59717	0.8
69.79734	0.9
71.01382	5.2
71.28189	1.8
80.05036	1.0
84.19267	0.7
85.02940	1.8
89.02445	4.7
94.02973	1.7
94.06618	1.0
95.03756	4.5
95.31973	0.8
96.08186	2.5
97.01717	0.9
101.02451	2.9
104.05070	3.9
106.06638	9.8
112.04063	1.0
113.02456	1.8
119.03532	1.4
121.10202	2.0
122.06121	3.4
123.03255	1.1
124.07675	12.4
132.04559	60.4
133.05356	35.8
134.06183	8.4
135.04517	1.4
138.05592	1.2
146.02477	1.2
148.04050	3.6
150.05589	2.6
152.01105	1.2
159.05658	1.1
165.04312	35.6
166.04649	1.6
176.03497	2.1
176.07156	1.2
177.04320	7.6
178.05074	4.4
184.07738	1.7
185.08510	1.6
186.09225	7.0
187.08891	1.3
198.09274	1.8
209.03314	9.9
213.06754	6.2
214.12393	11.5
215.11871	11.2
226.07446	2.0
227.08171	1.1
229.09816	5.5
240.10342	2.6
241.09868	5.2
242.10193	0.9
243.46805	0.9
255.11293	1.0
257.12952	48.9
258.13400	4.2
283.10883	13.8
301.06912	1.6
301.11926	36.2
302.12155	3.5
327.09811	2.6
345.10907	100.0
346.11234	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	345.109
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
58.53373	1.1
59.01370	1.9
71.07322	2.7
92.97497	1.1
95.03744	2.5
96.08217	1.3
104.05060	1.6
106.06624	4.9
122.06125	3.5
124.07696	8.4
132.04556	42.8
133.05356	31.2
134.06139	8.3
148.04112	1.5
165.04297	22.5
165.38974	1.1
177.04300	4.7
178.05096	3.2
185.08435	1.4
186.09200	4.0
198.09161	1.7
209.03242	3.7
213.06682	4.5
214.12369	7.7
215.11841	7.9
219.63286	1.2
229.09830	4.3
240.10596	1.3
241.09802	2.4
255.11368	1.4
257.12936	27.6
258.13223	2.7
265.71844	1.2
283.10852	9.6
301.11923	21.6
302.12051	2.0
327.09650	1.8
345.10889	100.0
346.11212	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	344.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	27.2
61.98843	2.8
64.33629	2.0
67.29902	2.9
71.01373	18.3
71.05794	5.0
72.00901	11.0
72.99308	4.8
85.02959	2.2
89.02435	29.2
93.03469	4.2
96.95974	3.8
101.02431	6.0
109.02961	5.2
113.02438	5.3
119.03483	5.6
119.04982	2.8
120.05359	4.3
123.00931	3.0
123.04549	3.9
130.99500	2.2
135.04459	4.0
136.04843	3.2
137.02469	2.9
139.03960	3.9
143.03445	3.3
147.04521	39.7
148.71669	2.0
150.04221	2.1
150.45074	2.3
163.03995	2.9
164.04344	4.1
164.07150	100.0
165.01888	4.5
165.07478	3.3
179.05643	3.7
181.05077	11.6
182.05492	11.7
182.97583	2.2
213.05550	2.4
213.53201	2.4
242.05563	2.7
255.06598	8.5
256.07217	3.8
257.08240	2.4
260.24728	2.1
267.03049	2.3
285.10071	4.6
286.28622	2.0
300.12173	12.0
317.06509	2.8
344.10736	9.6
345.06085	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	345.0616
Annotation	aflatoxin B1 8,9-dihydrodiol
Peak:m/z	Relative Intensity
59.01377	5.0
61.67533	0.7
67.93964	0.6
70.18710	0.6
71.01384	3.3
71.09061	0.7
71.51660	0.9
73.02937	2.3
74.99123	1.2
76.74664	0.8
79.01884	1.2
81.03481	1.9
87.00900	1.1
89.02438	0.8
93.03459	2.2
95.05017	1.0
105.03485	6.2
107.01400	2.3
108.02180	1.9
109.02954	12.1
113.02444	1.6
117.03449	1.3
118.98051	1.1
120.97679	1.2
120.99648	7.9
121.02975	3.6
121.06604	0.9
123.04517	4.4
124.01675	14.0
133.02979	5.9
135.00909	2.7
135.04555	5.2
136.01613	2.3
137.02469	4.9
139.04002	3.0
139.07680	1.6
140.07179	1.3
141.07089	3.7
143.05046	1.3
147.04489	1.0
148.01674	2.3
149.02449	20.2
149.55235	0.7
150.02934	0.9
151.03989	3.8
152.01202	0.9
157.06563	1.9
158.03699	0.9
159.04456	1.9
160.01532	0.8
161.02512	3.7
163.03996	1.0
167.03525	16.2
167.05008	2.8
169.06589	3.4
171.04466	1.6
172.05232	1.5
173.06122	0.8
174.03224	1.3
175.03943	1.5
176.01149	0.9
177.01929	16.2
178.02312	0.9
181.05077	7.0
183.04565	2.4
183.06625	1.4
184.05244	1.0
185.06085	8.3
185.79651	0.7
187.04044	2.4
195.04500	3.7
196.05151	0.8
197.06082	2.3
198.03249	1.7
199.04031	4.7
199.07635	0.7
200.04768	2.6
201.05554	2.0
209.04539	13.3
211.03996	6.2
212.04715	2.2
213.05568	15.5
214.06085	1.9
215.03508	3.0
216.04324	1.2
217.01505	0.8
218.02277	0.9
223.04057	3.2
223.09837	1.0
224.04781	1.0
225.05525	1.3
225.11084	0.8
226.02945	1.0
227.03506	3.4
227.06989	1.2
228.04131	0.7
229.05180	4.0
230.02188	1.3
239.03514	5.3
239.07083	2.1
240.04245	7.4
241.05049	21.6
242.05461	1.3
243.02977	12.1
243.06685	2.4
244.03760	2.7
251.03545	1.2
252.07829	1.3
255.02928	1.0
255.06509	1.6
257.04568	11.7
257.12918	3.7
258.01697	2.5
258.04926	1.1
259.02451	1.3
259.06015	1.1
259.10013	0.9
267.03003	15.5
267.06595	9.5
268.03748	3.6
268.06802	1.1
269.04535	7.4
271.06140	2.6
272.03195	1.4
273.07660	1.5
282.09009	5.5
285.04062	27.5
286.04468	2.1
289.07269	5.6
295.02426	2.0
297.11325	13.4
299.05612	6.0
301.07217	2.4
313.03482	5.8
315.12466	1.6
316.05743	4.0
317.06644	53.8
318.06946	4.4
327.05106	5.0
345.06155	100.0
346.06485	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
55.19147	0.8
57.03444	1.8
59.01385	4.6
61.98816	0.8
63.86615	0.6
69.03461	1.8
71.01379	1.0
79.95697	0.7
83.05026	1.8
84.90850	0.7
89.02408	0.8
96.96010	4.6
97.06569	0.8
99.08152	8.4
112.94435	0.7
121.02953	1.5
121.10241	3.4
125.09705	1.6
127.11271	4.0
137.09735	2.2
139.11227	1.5
151.11270	0.8
155.10648	0.7
155.14380	1.6
165.12740	0.8
171.08810	1.2
171.10280	22.8
175.11296	0.8
181.08661	1.0
185.00748	1.4
193.12334	13.3
194.12627	0.9
211.13303	3.2
225.14977	19.5
226.15282	1.3
243.15999	7.0
288.52609	0.7
293.21249	2.9
298.01019	1.0
325.18033	1.0
325.27457	1.8
343.17740	4.6
343.24780	100.0
343.28534	58.4
344.25143	9.6
344.28909	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2851
Annotation	Phytophthora mating hormone alpha1
Peak:m/z	Relative Intensity
58.00576	2.8
59.01377	19.8
65.49184	2.0
71.01367	8.6
71.51773	3.6
73.02946	79.7
74.03279	2.3
87.39603	2.1
89.02459	2.3
89.98313	2.3
121.02992	4.6
147.48103	2.2
166.06375	5.4
181.08687	2.9
183.01045	3.1
185.00726	5.4
233.22659	10.2
237.22163	5.4
239.23790	6.0
250.56456	2.5
251.23802	4.5
263.23944	2.6
267.23242	16.7
269.24817	4.7
281.24802	13.5
283.26407	9.6
293.24796	4.4
295.26376	5.2
297.24255	7.6
306.64063	2.7
307.26309	3.5
313.27402	13.5
325.27371	15.4
327.25415	4.1
341.26767	6.9
343.17725	11.4
343.25134	4.9
343.28494	100.0
344.28772	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	343.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01721	0.7
71.01390	5.3
71.52110	0.6
72.99313	0.8
84.33807	0.7
85.02940	0.8
86.17619	0.7
87.81588	0.7
89.02450	6.1
91.55128	0.8
94.90105	0.6
101.02448	1.7
113.02477	2.1
115.00371	1.1
119.03526	1.7
121.02954	0.9
133.01450	1.1
134.29149	0.8
135.03056	0.8
135.04468	3.8
149.02467	1.0
150.03239	7.4
161.04547	0.7
179.03499	2.5
179.05656	1.2
212.10899	1.0
231.65588	0.7
255.11444	3.1
281.08145	7.0
299.09177	4.5
343.12036	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	343.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97172	0.6
57.91608	0.6
59.01381	100.0
60.01718	1.5
66.91275	0.6
69.13298	0.6
69.38597	5.0
69.46267	0.7
71.01379	5.1
73.78050	0.6
74.04680	0.6
75.49420	0.6
85.02956	0.8
89.02453	5.5
101.02456	1.3
113.02491	1.3
119.03526	2.2
119.05067	2.6
120.05367	1.3
134.03273	0.8
135.04509	8.3
136.04843	5.4
138.05429	0.7
145.02974	0.8
161.02489	1.5
162.02756	0.9
163.04027	1.3
164.04376	1.3
178.05154	1.3
179.05608	0.9
206.04663	2.7
207.04901	3.3
213.95961	0.7
226.12968	0.7
244.30185	0.6
247.08101	0.6
301.78958	0.8
343.09940	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06860	0.9
59.01377	100.0
59.62222	0.8
60.01688	1.6
71.01382	9.7
72.99267	1.0
73.02933	1.3
89.02428	5.3
89.74578	0.8
90.68993	0.9
93.03439	2.1
99.00600	0.9
101.02393	1.1
108.02177	1.3
109.02962	0.9
113.02451	1.9
115.00368	1.7
119.03465	2.2
121.02954	15.1
121.25041	0.8
122.88091	0.9
123.04540	1.1
128.49338	0.9
133.01477	2.1
135.02980	1.6
135.04498	3.8
137.02386	1.0
147.04506	2.8
178.55061	1.1
179.03506	1.2
179.05617	0.9
185.06180	0.9
194.05730	1.4
200.61581	1.0
206.05858	1.0
211.07607	1.0
212.04839	1.9
213.09207	1.1
225.05632	2.0
226.06139	1.0
227.07088	3.1
229.01315	1.5
237.05582	2.4
240.04251	2.3
241.05000	2.5
241.08698	1.5
253.05023	1.2
254.05763	2.9
255.06609	9.5
256.07040	1.2
268.07346	6.4
269.08160	18.2
270.08533	1.6
271.09735	1.0
283.09738	10.0
284.10577	3.1
296.06973	1.1
299.09454	1.0
299.13004	1.5
311.09247	13.0
312.09717	1.4
328.09448	5.9
343.11844	41.6
344.12256	3.3
351.55869	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1184
Annotation	Carpinontriol A
Peak:m/z	Relative Intensity
54.81510	0.4
59.01381	3.2
71.01382	2.1
71.51949	0.5
73.02933	0.7
80.02124	0.4
82.70850	0.4
93.03456	4.1
97.06532	0.6
100.12391	0.4
108.02172	2.5
109.02951	1.2
115.00394	0.8
116.92891	0.5
118.69835	0.4
119.05034	0.6
121.02954	42.1
122.03258	1.2
123.04517	3.5
133.01436	0.6
133.02977	0.6
134.03737	0.9
135.04527	2.9
145.02946	0.6
147.04529	7.4
148.05193	0.4
151.15022	0.4
159.04433	0.7
160.05191	0.5
161.02350	0.6
161.06067	0.5
162.06841	2.4
163.07700	0.5
171.10286	1.0
174.03169	0.6
174.05551	0.8
175.07640	1.1
179.03551	0.5
182.04570	1.8
183.01186	1.2
183.08199	0.7
185.06024	1.2
194.05795	1.9
196.05342	1.4
197.06044	1.1
199.07622	1.4
203.09554	0.5
206.05905	0.7
209.06104	2.8
210.06793	1.0
211.03969	1.8
211.07629	1.6
212.04749	2.0
213.05559	2.3
213.09137	0.8
219.06528	0.6
223.07626	1.2
224.04779	0.9
224.08197	0.7
225.05557	3.4
225.09122	0.9
226.06291	2.7
227.07130	4.9
237.05553	6.4
238.06261	1.4
239.03415	1.4
239.07117	1.6
240.04221	6.6
240.07782	0.5
241.04985	4.6
241.08667	5.2
242.09106	0.5
247.12129	0.8
251.07062	2.9
252.07835	1.8
253.05064	4.3
253.07509	0.6
253.08401	0.5
254.05823	6.8
255.06599	21.4
256.07086	2.6
257.08206	1.3
267.06671	2.4
267.09949	0.5
268.07401	15.0
268.10303	0.8
269.08173	54.8
270.08517	3.7
272.06848	0.6
281.12137	0.5
282.08945	0.8
283.09760	29.0
284.10458	8.1
285.10660	0.9
296.06860	0.9
298.08423	0.6
299.09665	0.7
299.12918	3.6
310.08560	1.1
311.09238	39.6
312.09634	3.4
325.10779	1.0
327.08884	1.0
328.09473	15.1
329.09821	1.6
343.11847	100.0
343.20444	3.6
344.12250	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	343.1031
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
59.01378	13.6
62.44697	0.3
70.45908	0.5
70.46252	0.8
71.01376	0.9
72.60641	0.3
72.61053	0.3
74.99113	0.4
79.95761	0.4
81.03439	0.6
85.02956	0.4
88.04031	0.7
89.02437	0.6
93.03436	0.6
93.07059	0.5
95.05037	0.8
96.96009	1.5
101.02461	0.5
107.05049	0.9
108.02165	0.5
109.02953	6.1
109.06595	3.4
118.98099	4.2
119.05023	3.7
121.02967	6.2
122.03722	1.1
123.04534	0.3
135.04533	5.9
136.04875	0.5
137.06087	28.1
138.05518	0.7
138.06419	1.1
139.04199	0.3
139.05997	0.6
149.02499	0.5
149.06075	0.4
166.06369	0.6
179.03499	0.8
180.03810	0.6
181.05070	100.0
182.05374	4.6
182.34608	0.3
213.09192	0.4
223.09868	0.4
225.04041	0.4
241.00124	2.3
255.06578	0.9
258.07751	1.0
284.08969	0.5
285.10117	0.6
286.07074	0.4
288.12436	1.1
293.04666	0.6
300.12360	1.6
300.15808	0.9
343.10532	9.4
344.11246	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	343.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52527	0.5
59.01375	3.7
67.65643	0.4
67.88084	0.4
68.42109	0.4
69.67769	1.4
69.68185	0.9
71.01386	1.4
72.04316	0.5
73.02942	1.0
74.02477	2.1
93.03458	5.5
100.75275	0.4
108.02153	2.1
109.02953	1.5
109.24248	0.4
115.00380	0.7
119.05040	0.6
121.02953	41.4
122.03307	1.5
123.00864	0.5
123.04534	4.3
133.01410	0.6
135.04553	2.1
136.01671	1.7
136.04872	0.6
137.02415	1.5
138.02742	0.5
143.11903	0.7
144.12213	0.8
147.04507	6.1
151.03961	1.3
152.04320	0.5
154.02730	0.5
160.05286	0.8
162.03075	0.5
162.06839	2.1
163.03925	1.4
173.02467	0.7
175.07645	0.9
177.05562	0.6
178.06023	0.5
179.03467	0.7
180.03769	0.6
183.01251	0.7
183.04462	0.6
183.08167	0.6
185.06099	1.3
194.05861	0.8
195.04385	0.6
196.05214	1.6
197.06084	1.1
199.07626	1.8
206.05891	0.7
209.06050	4.0
209.13684	0.7
210.06792	1.1
211.03996	1.3
211.07614	1.3
212.04839	3.1
213.05579	1.6
213.09323	0.8
223.07622	1.6
224.04692	0.7
224.08455	0.6
225.05620	2.8
225.09196	1.6
226.06294	3.1
227.07100	5.6
237.05577	7.7
238.06223	1.9
239.03452	1.0
239.07071	0.9
240.04285	5.5
241.05075	4.1
241.08659	4.7
251.07141	3.3
252.07903	2.0
253.05090	2.9
253.08545	0.5
254.05844	6.5
255.06609	23.5
256.07159	2.5
257.08118	1.0
257.12177	0.7
257.20636	1.5
267.06647	2.0
267.10193	0.6
268.07382	15.0
269.08167	49.9
270.08487	5.2
272.06946	1.0
282.09290	0.6
283.09750	27.5
284.10419	9.3
285.10892	0.7
295.05872	0.6
296.06940	0.9
298.08563	0.9
299.09506	0.9
299.12732	4.4
300.13132	0.6
310.08447	0.7
311.09235	37.0
312.09647	4.6
325.10779	1.4
327.08551	1.2
328.09503	16.6
329.09933	1.3
343.11826	100.0
344.12103	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	343.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	72.8
69.55222	13.9
71.01387	12.5
72.97541	2.3
74.99121	2.5
78.95885	2.7
85.02968	3.1
87.00835	3.5
89.02428	4.7
101.02420	5.1
109.02978	2.5
113.02457	3.7
114.76042	2.2
118.98096	19.0
121.02960	100.0
122.03218	2.4
130.08722	5.2
133.01428	4.7
134.03740	2.4
135.02968	2.9
135.04466	10.5
140.07162	31.4
149.02457	3.1
149.06046	3.2
150.03227	4.3
151.03783	2.6
163.04010	4.1
180.04227	3.1
181.08626	3.7
182.06148	3.1
191.05548	2.8
211.04031	2.9
212.04716	4.8
212.10832	21.7
213.10582	2.4
225.06783	3.8
226.07477	5.1
237.09163	6.3
240.08958	2.5
253.08633	2.7
255.06879	3.5
255.11400	42.8
256.03336	3.0
281.04187	2.2
281.08459	4.0
299.10318	10.5
309.14490	4.9
313.10437	4.7
326.17142	2.5
343.04337	4.0
343.08566	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0854
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58253	1.2
53.82330	1.2
57.03443	1.7
57.41375	1.2
59.01384	10.3
69.16907	1.1
71.01376	6.4
71.51231	1.2
72.97508	1.5
73.02930	1.3
74.99095	12.1
78.95865	1.1
81.03452	1.4
82.48151	1.1
83.05015	6.4
87.00891	1.4
89.02464	2.5
93.03401	1.3
95.05035	1.1
96.96021	1.4
101.02419	2.8
101.43423	1.2
109.02988	1.4
115.00359	1.7
118.98087	100.0
119.05042	2.6
119.98454	1.7
121.02934	3.2
123.03259	1.8
128.51152	1.1
130.08685	1.4
133.01428	1.7
133.06581	1.2
134.03687	1.6
134.04718	1.6
135.02972	1.5
135.04517	10.5
135.08180	3.8
136.05292	1.9
137.02492	1.7
137.06076	1.9
138.05617	15.3
139.05962	13.8
140.07147	5.2
148.88698	1.1
149.02415	2.6
149.06039	1.9
150.03242	1.9
161.09703	4.9
163.03998	1.8
166.06403	1.1
177.09227	1.4
179.03523	4.1
180.04071	2.0
181.03838	1.6
181.05238	1.2
181.08594	1.7
203.10764	6.7
204.11171	1.2
212.10825	5.5
221.11826	1.5
223.09740	2.5
225.06648	1.2
226.07404	1.9
237.09303	1.4
247.09749	4.1
248.45746	1.2
255.11464	12.5
256.11951	1.4
266.05194	1.1
281.08539	3.5
299.05774	1.5
299.09854	4.8
343.08243	8.2
343.14334	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	343.0371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78301	0.3
59.01379	84.6
60.01702	1.1
61.98796	0.3
64.65763	0.3
69.86024	0.5
69.86416	0.7
71.01377	0.3
92.98486	0.2
98.20558	0.5
103.36577	0.2
111.92434	0.2
113.04592	0.5
157.03566	7.9
158.03737	0.4
159.01527	1.8
191.60954	0.3
201.02548	100.0
202.02731	8.4
248.11990	0.3
298.71710	0.3
343.03812	2.1
344.04007	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72805	0.3
51.63790	0.3
55.04642	0.3
59.01377	10.2
60.01714	0.8
66.95900	0.3
68.01424	0.5
70.64830	0.8
71.01382	4.6
72.01717	0.6
73.02936	0.6
74.99091	0.7
75.00853	0.6
79.58537	0.3
82.02956	0.3
83.05029	0.4
85.02947	0.5
86.03365	0.4
87.00873	0.5
89.02428	2.2
90.02749	0.5
92.05086	0.6
93.03459	0.4
93.05405	0.4
95.05054	0.4
101.02460	1.3
102.02786	0.6
107.02496	0.3
113.02444	0.9
114.02773	0.4
115.00394	0.9
118.98077	8.6
119.03480	1.0
119.05020	1.1
120.03860	0.4
121.02917	0.4
122.02473	0.7
122.06139	0.4
123.03266	9.1
133.01428	0.9
135.02975	0.4
135.04535	4.4
136.04813	2.8
137.02425	0.5
137.04816	1.0
138.05609	100.0
139.05962	2.5
145.02907	0.6
150.02707	0.3
152.07121	0.6
161.02486	0.5
163.03967	0.5
165.04297	0.8
178.05092	0.7
179.03508	2.4
179.05644	0.8
180.03900	2.9
180.06686	2.0
181.05035	0.4
203.10799	0.4
206.04527	0.6
212.10782	0.5
222.04042	0.4
223.09895	0.6
254.08858	0.4
255.11363	0.9
282.09906	0.7
286.78061	0.4
287.06244	0.4
299.09787	0.6
300.10864	2.2
342.06979	1.1
342.12042	3.1
343.08951	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28178	0.5
56.93613	0.5
58.46841	0.5
59.01379	10.4
61.31065	0.5
68.01408	1.8
69.56042	2.6
71.01353	0.5
73.02953	0.4
89.03275	0.4
95.40179	0.4
96.60515	0.5
100.00417	0.5
107.04988	0.7
109.02959	0.5
113.02487	0.5
119.05028	4.3
122.02512	0.8
123.03261	6.7
123.38864	0.4
124.07613	0.7
127.17627	0.5
129.07079	1.7
133.02974	0.7
135.04530	10.4
136.07735	0.5
138.05609	100.0
139.05954	3.2
145.02959	1.5
152.07191	0.8
161.02400	2.6
163.04028	2.3
167.05836	0.9
178.05057	2.1
180.06656	5.0
180.10280	0.6
189.35919	0.6
189.60588	0.5
206.04584	4.9
208.21803	0.4
222.04091	0.6
222.07661	0.5
224.07155	0.6
269.15530	1.0
278.11768	0.5
282.09830	1.0
282.14856	0.7
284.16556	3.9
300.10855	2.9
310.14581	1.7
312.16061	1.7
314.17703	1.3
342.11908	8.1
342.17099	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	342.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	44.9
60.01687	0.9
68.01423	1.9
69.03465	1.2
69.43936	5.8
71.01373	4.8
72.00916	1.3
80.29613	0.8
85.02972	1.2
88.04034	6.2
88.55481	0.8
89.02457	2.2
93.03463	1.9
100.00394	1.2
101.02441	1.3
107.05049	2.1
115.00388	2.3
117.03470	3.2
119.03588	0.9
119.05028	23.9
121.02979	1.0
122.03739	1.2
122.06110	0.9
123.03259	6.1
123.04530	4.1
133.02975	1.6
134.03714	1.2
135.04527	35.8
136.04849	1.2
138.05609	100.0
139.05945	4.5
145.02943	15.8
147.11801	1.7
149.06053	0.8
150.05585	2.1
152.07169	2.5
160.04042	3.7
161.02437	7.2
163.04005	5.9
167.05882	1.5
171.74924	0.8
176.07179	1.4
178.05075	20.4
179.03438	1.8
179.05688	1.4
180.06639	5.1
192.06660	4.9
196.06230	0.9
206.04578	15.5
214.11931	0.8
220.05977	1.0
222.04073	10.2
227.12903	1.2
255.10297	0.9
277.90158	1.0
282.09796	15.0
298.07571	1.0
298.10785	2.1
300.10889	9.3
324.03708	1.1
342.04654	0.6
342.06113	0.7
342.11722	5.3
342.15701	3.7
343.08163	1.9
343.12167	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.9
60.32245	0.4
69.23396	4.0
71.01387	3.6
77.70186	0.4
84.46818	0.4
85.02969	0.4
89.02473	0.8
107.06161	0.4
108.08200	4.4
115.00385	0.8
115.48425	0.4
116.05173	0.4
121.02952	0.9
121.05336	3.3
130.08742	0.5
133.01411	1.0
135.03294	0.5
135.04527	3.1
136.04068	4.8
136.07683	100.0
137.08034	3.2
138.05620	1.0
145.02924	0.8
148.07683	2.1
150.05550	0.6
150.09242	1.3
152.03557	1.2
161.02350	0.7
163.03963	0.8
164.07155	1.4
172.09885	0.5
176.07156	1.5
179.03514	0.7
180.06660	58.5
181.07034	2.2
192.06668	0.5
194.08221	21.0
195.08546	0.8
206.04517	0.6
213.78676	0.4
222.07724	16.3
223.08038	1.2
268.06766	1.0
281.08096	1.0
282.08417	5.5
283.09149	1.5
312.09595	0.7
327.08206	0.6
327.11777	0.9
342.10614	8.7
342.14276	0.6
343.11484	0.7
348.79419	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01112	0.8
59.01382	9.0
62.32438	0.6
63.72930	0.6
69.62539	3.2
70.91314	0.6
71.01377	1.3
72.00916	1.8
73.42239	0.5
82.06895	0.5
93.03458	1.9
100.00411	2.5
107.05039	4.7
109.02959	1.3
115.00375	0.7
117.03478	2.7
119.05032	38.9
120.05414	0.8
121.02968	0.6
122.03758	1.2
123.04535	3.2
133.02959	8.0
134.03763	3.8
134.06122	0.6
135.04530	100.0
136.04880	4.2
145.02971	15.8
149.04718	0.6
150.05676	1.2
151.03999	1.1
152.07166	1.3
160.04050	2.6
161.02457	24.7
162.02831	0.9
162.05656	1.2
162.58199	0.5
163.04012	17.5
164.04395	0.7
176.03525	0.6
176.07140	1.3
178.05110	17.4
179.03558	1.6
179.05426	1.1
180.06697	5.6
196.06194	1.1
206.04591	48.5
207.04918	2.0
220.06160	0.8
222.04076	9.2
223.04428	0.6
266.09384	0.6
298.10864	1.7
342.09714	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.306
Annotation	1-O-Octadec-9-enyl glycerol
Peak:m/z	Relative Intensity
59.01384	8.0
70.74966	2.1
70.75302	1.0
71.01381	5.8
71.05022	26.7
71.11720	0.9
73.02950	1.7
73.17953	0.8
85.46114	0.9
89.02423	5.5
90.72849	0.9
101.02434	0.9
113.02435	1.8
119.03478	1.3
144.51270	0.9
149.75278	1.0
179.05602	2.1
185.00816	2.2
186.36263	0.9
197.57896	1.0
211.84552	0.9
212.88486	0.9
225.63370	0.9
267.26843	4.4
268.70837	1.0
281.28473	27.8
282.28894	2.5
323.29510	12.0
341.10904	3.2
341.20111	5.5
341.30600	100.0
342.20590	1.3
342.30951	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08637	1.2
59.01376	5.8
63.03416	1.3
71.25402	2.9
72.00909	5.5
77.29090	1.3
82.03007	1.5
84.59405	1.1
93.03471	6.1
100.00409	12.8
107.05025	5.8
108.02197	1.1
109.02960	3.6
117.03474	13.2
119.05029	100.0
120.05349	4.0
121.02951	2.9
122.03742	4.2
123.03235	2.6
123.04507	16.7
125.97516	1.3
133.02927	6.1
134.03735	3.5
135.04526	96.6
136.04903	2.9
138.05618	38.4
139.05891	1.6
139.10931	1.2
139.40738	1.2
141.80093	1.1
145.02953	70.7
146.03293	3.0
146.06053	2.4
149.06096	1.4
150.05643	9.1
151.03937	3.0
152.07198	7.8
160.04044	13.6
161.02443	16.5
162.05522	2.6
163.04030	12.9
174.05588	2.4
176.03558	1.5
176.07166	5.7
176.08612	1.4
178.05095	94.5
179.03473	9.4
179.05421	4.4
180.06676	6.8
196.06171	6.0
206.04582	34.0
207.04962	2.3
220.06114	4.5
222.04065	44.0
223.04396	1.7
255.10283	4.5
298.10913	8.6
342.09668	20.6
343.08054	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	341.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94258	0.6
59.01379	5.0
69.03449	2.7
71.01385	4.0
81.45266	0.6
83.05047	1.3
84.02182	5.5
85.02952	0.9
89.02450	3.2
94.61245	0.6
95.05011	0.7
97.02954	2.4
97.06590	11.5
99.04515	2.2
99.42719	0.6
101.02435	2.0
113.02451	1.3
119.03503	1.7
119.08747	0.9
125.09740	1.4
127.11271	0.8
137.09718	1.1
149.13373	0.9
157.12445	0.7
159.26663	0.7
165.12924	0.9
171.10263	16.8
175.11212	1.0
176.05101	0.6
177.08934	0.8
179.05615	1.2
183.13808	1.4
193.12317	16.0
194.12714	1.4
197.02768	1.0
207.13887	0.8
211.13370	3.6
221.11844	1.2
225.14955	21.6
226.15317	0.9
243.15982	8.0
253.14442	1.0
291.19672	0.9
305.20914	0.7
341.18268	3.9
341.23303	100.0
342.23648	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	341.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	1.2
58.00570	0.8
58.77357	0.7
59.01378	14.0
69.03448	3.1
71.01379	9.9
81.03476	0.9
83.04994	1.4
84.02168	1.6
85.02922	1.3
89.02451	10.8
97.06591	11.2
98.20689	1.8
101.02457	4.2
106.06721	0.9
113.02446	3.2
119.03515	4.2
125.09687	1.6
137.09637	1.1
141.09239	1.4
143.03540	1.1
151.11324	0.8
161.04611	1.0
165.12766	0.8
169.49484	0.8
171.10248	8.9
177.12914	0.9
179.05602	4.4
179.78934	1.0
183.01218	2.9
193.12344	16.4
197.02782	8.1
202.87004	0.8
211.13345	3.9
225.14975	22.0
226.15318	1.6
229.32101	1.2
243.15991	9.0
253.14392	1.4
341.11292	5.7
341.14398	2.7
341.17969	16.9
341.23270	100.0
341.26849	4.5
342.18393	1.6
342.23547	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	4.7
59.01379	19.5
69.03446	2.2
70.14085	0.4
71.01009	0.9
71.01382	14.3
71.51927	0.5
72.99306	0.9
73.81697	0.5
79.95757	1.6
83.01374	0.9
83.05028	4.8
85.02946	1.8
87.00888	1.2
89.02447	17.2
93.03409	0.6
96.18798	0.5
97.06599	1.2
101.02441	7.1
102.05624	1.7
105.07165	0.5
109.06586	2.9
113.02432	5.3
119.03504	6.6
119.05016	1.1
125.93740	0.5
135.04494	0.7
135.08151	0.9
136.05681	0.5
139.11259	0.5
143.03491	1.8
149.04604	0.6
151.00383	0.5
159.08151	0.8
161.04539	1.7
161.09682	0.7
163.11249	0.6
170.00423	1.1
175.11235	1.0
179.05617	5.8
183.01201	47.7
184.01646	2.8
185.00761	0.6
185.09512	0.5
197.02762	7.1
198.03230	0.8
199.11218	1.5
216.00970	1.4
217.12254	0.7
223.20563	1.6
227.03658	0.5
239.07439	0.7
239.14452	1.6
245.15433	2.1
246.15727	0.6
253.09172	0.7
267.19678	1.5
279.17490	0.7
283.09927	1.1
283.17084	3.2
285.18802	1.0
290.16788	0.9
295.13431	0.5
297.18503	0.8
297.27850	1.1
302.90503	0.6
311.09091	1.2
323.20123	2.1
326.11584	1.0
341.10858	6.5
341.17871	100.0
342.18204	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	341.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00599	0.3
59.01378	7.7
60.08280	0.3
66.88036	0.3
69.29621	2.3
71.01381	5.1
72.99325	0.5
73.02932	0.4
79.95763	0.9
85.02956	0.7
87.00874	0.5
89.02444	7.3
95.01407	0.5
96.96011	0.7
101.02441	2.6
102.05610	4.8
113.02437	2.0
116.56078	0.3
119.03477	2.0
119.05012	0.9
131.03481	0.3
134.30551	0.3
135.04573	0.3
138.05618	0.3
143.03505	0.7
159.14812	0.3
161.04578	0.9
170.00462	0.8
179.05594	2.2
183.01201	42.7
184.01884	3.2
191.30206	0.3
197.02747	4.8
198.03513	0.4
211.04298	0.5
216.00990	1.2
225.06009	0.6
230.02600	0.5
239.07506	1.0
253.08862	0.4
283.10172	0.5
297.27972	0.4
323.16931	0.5
326.11511	0.4
341.10907	3.2
341.17883	100.0
342.18225	9.9
342.22485	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03886	1.1
59.01377	1.5
66.13636	1.1
87.46931	1.1
89.83218	1.0
105.41366	1.1
135.04485	1.6
145.02951	4.6
196.05280	1.8
222.06854	1.8
224.04790	5.7
225.09155	1.4
227.10793	1.7
237.05739	1.6
238.06367	8.2
239.10747	4.0
241.08707	3.1
251.06705	1.3
252.08029	1.5
254.09340	2.1
255.10265	8.9
266.05862	5.1
267.06363	1.7
267.10382	1.5
268.06793	2.6
269.11835	3.5
270.12613	3.1
281.08279	2.1
282.08981	3.5
283.09753	49.1
284.10068	4.6
293.43927	1.1
294.09058	2.7
295.09674	6.2
296.10300	4.4
297.11349	2.3
298.12057	4.0
309.11237	2.7
310.08646	1.3
310.11984	3.2
311.09253	100.0
312.09546	8.3
325.10831	10.5
326.11575	77.0
327.12039	6.2
341.10059	6.5
341.13904	84.7
342.10434	1.8
342.14264	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03417	1.0
58.00579	1.4
59.01106	1.4
59.01378	18.7
63.60019	0.8
65.14227	0.9
69.03458	1.9
69.18885	10.0
71.01382	15.9
72.99297	1.1
83.05009	2.5
85.02932	2.7
87.00871	1.6
89.02443	13.0
91.05522	1.8
95.05029	1.3
98.19849	2.0
99.04512	2.2
101.02460	6.1
106.83411	0.9
107.04979	2.0
113.02458	5.6
119.03505	5.2
129.09193	3.2
135.04514	3.3
135.35164	1.0
137.02444	1.1
145.02931	5.5
149.09683	6.1
161.04559	1.3
165.12796	1.1
171.08113	1.2
179.03453	1.2
179.05595	5.4
180.05788	1.0
195.06651	1.4
196.05428	1.2
207.08279	1.1
209.11728	1.9
211.07745	2.3
221.05986	1.2
221.62343	1.0
222.06729	1.6
223.07481	1.0
224.04790	7.3
224.08231	1.3
225.09016	1.1
227.10751	2.8
231.13857	2.3
235.07555	1.3
237.05437	1.2
238.06361	7.6
239.06923	3.7
239.10759	3.3
240.07481	2.6
241.08632	3.6
250.06174	1.1
251.07129	1.8
252.04153	1.0
253.08572	2.7
254.09514	2.1
255.10220	10.7
256.10672	1.3
264.07388	1.1
265.08798	1.2
266.05835	5.6
267.06561	3.6
267.10214	1.6
268.06912	7.0
269.11887	2.2
270.05188	1.7
270.12506	3.4
281.08090	5.9
282.08655	4.8
282.97852	1.2
283.09744	51.0
284.09967	2.9
294.08929	3.0
295.09647	3.5
296.10431	6.9
297.11066	4.0
298.12009	3.8
309.11093	1.7
310.08548	1.6
310.12054	3.3
311.09238	100.0
312.09549	8.2
323.18668	1.3
325.10791	15.0
326.11554	70.8
327.11975	7.2
341.10052	15.6
341.13898	80.4
341.19391	2.6
342.10562	1.8
342.13913	7.1
342.16525	1.0
342.17676	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1088
Annotation	Trehalose
Peak:m/z	Relative Intensity
55.01902	1.0
57.03428	2.0
58.00588	4.3
59.01381	100.0
60.01727	1.7
70.57500	3.3
71.01384	70.6
72.01713	1.6
72.99319	3.1
73.02944	2.2
82.86642	0.9
83.01377	2.4
85.02945	9.6
87.00871	4.3
89.02446	81.0
90.02794	0.9
95.01382	5.2
101.02441	27.8
107.03472	1.2
113.02448	23.0
119.03503	29.3
131.03503	4.1
135.27179	1.1
143.03455	7.6
149.04536	3.8
161.04585	8.7
179.05605	30.2
202.78491	1.4
220.01395	0.9
341.10867	35.6
341.69485	1.1
342.11072	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1086
Annotation	Trehalose
Peak:m/z	Relative Intensity
53.44292	0.9
57.03443	2.3
58.00584	3.5
58.19546	0.9
59.01377	100.0
60.01694	1.1
65.45477	0.9
66.90328	0.8
70.88111	2.1
70.88451	1.2
71.01376	65.0
72.01681	1.5
72.99286	3.2
73.02964	1.1
81.75618	1.0
83.01376	2.2
85.02947	8.1
87.00887	5.0
89.02439	82.0
90.02776	1.5
95.01389	3.3
96.23993	1.0
101.02441	30.0
102.02795	1.1
112.90302	1.1
113.02447	25.1
119.03498	27.9
119.04842	1.1
125.02419	1.5
131.03522	4.9
135.04482	1.5
143.03479	7.4
149.04558	2.4
161.04553	11.5
179.03859	1.5
179.05605	31.4
179.20770	1.1
180.06625	1.6
233.68484	1.1
243.18703	1.0
293.64896	1.3
306.10947	1.1
309.98633	0.9
323.42136	1.1
341.10867	35.8
342.11273	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1086
Annotation	Trehalose
Peak:m/z	Relative Intensity
51.68307	0.7
53.10508	0.6
55.01862	0.9
57.03446	2.0
58.00590	3.5
59.01379	100.0
60.01724	0.8
71.01381	69.1
71.17159	1.2
72.99311	2.8
73.02943	1.5
75.00898	0.9
75.74066	0.6
83.01388	1.7
85.02952	8.3
87.00867	4.7
87.78363	0.7
89.02444	85.0
90.02761	1.0
92.17497	0.6
95.01394	3.6
101.02439	30.8
101.03110	1.5
107.03517	0.9
113.02445	26.6
119.03502	30.3
120.03819	0.9
123.96920	0.6
131.03508	4.8
143.03503	6.7
149.04518	2.6
161.04558	9.4
179.05602	37.9
341.10870	39.5
342.11154	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1085
Annotation	alpha,alpha-Trehalose
Peak:m/z	Relative Intensity
55.01875	1.4
55.36763	0.9
57.03432	1.2
58.00587	3.1
59.01377	100.0
70.62449	3.0
71.01379	68.6
72.01713	1.0
72.99306	3.6
73.02945	2.5
73.60467	0.8
76.09550	0.9
83.01405	2.5
85.02940	8.6
87.00869	3.3
89.02441	87.9
95.01389	4.2
101.02435	34.1
113.02444	24.4
119.03490	31.4
130.29123	0.9
131.03477	5.1
134.21083	0.9
143.03487	9.2
149.04536	3.0
155.33739	0.9
161.04533	9.6
179.05605	36.7
180.05898	1.0
246.58804	1.0
273.51984	1.1
294.11444	1.1
341.06729	2.0
341.10861	39.9
342.11124	2.5
359.24612	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0876
Annotation	Caffeic acid 3-glucoside
Peak:m/z	Relative Intensity
53.09409	0.6
58.56983	0.7
59.01379	14.0
69.69270	2.4
69.69680	1.8
70.10665	0.7
71.01382	9.4
73.02954	3.4
76.02116	0.9
83.01381	0.9
85.02965	1.7
89.02441	8.5
89.06310	0.7
93.03462	2.1
97.02938	0.8
101.02441	4.7
103.87974	0.7
105.03456	1.0
107.05032	3.0
113.02451	3.5
115.00410	0.9
118.38618	0.6
118.93862	0.7
119.03492	2.8
119.05053	1.3
121.02952	1.0
123.04513	1.0
133.02893	0.8
134.03741	3.7
135.04533	100.0
136.04817	3.6
137.02454	3.9
137.06107	5.1
138.05612	2.6
143.03464	1.4
147.74579	0.8
149.02423	3.0
161.04639	1.4
179.03503	95.2
180.03889	5.4
181.05037	0.7
182.17795	0.7
195.04961	1.1
207.02736	0.8
220.04449	0.7
225.03998	3.7
282.73209	0.7
300.10657	0.7
341.08438	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	341.0875
Annotation	Chaenorrhinoside
Peak:m/z	Relative Intensity
55.01868	3.4
58.00577	2.0
59.01379	100.0
62.80358	1.6
67.55096	1.4
69.03432	1.4
69.68926	6.0
71.01382	65.8
72.01695	1.5
72.99303	3.5
73.02946	53.7
75.00856	2.1
83.01379	13.7
85.02957	7.8
87.00859	3.2
89.02445	42.4
93.02888	1.8
93.03457	33.0
95.01376	2.7
97.02950	2.2
98.19801	1.6
99.00863	1.9
101.01804	2.4
101.02438	46.3
107.04987	1.7
108.02139	2.2
109.02918	3.1
113.02448	24.3
119.03505	13.1
119.04944	3.6
121.02879	6.4
123.04510	2.3
125.02422	3.8
131.03404	4.5
133.01410	2.2
134.03688	2.7
135.04521	22.9
136.01581	4.4
137.02440	84.9
138.02702	2.1
138.05556	5.1
143.03517	3.6
149.02428	9.2
149.04454	2.9
151.04018	9.9
155.03439	2.9
161.02396	3.3
161.04480	6.4
163.03969	2.1
179.03419	39.2
179.05518	12.7
179.07004	2.8
181.27229	1.4
191.03450	3.4
203.88469	1.5
207.02902	2.3
209.04485	3.9
221.04453	4.1
281.06680	16.1
281.34540	1.8
298.10632	2.0
341.08600	67.9
342.08856	5.8
354.83881	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0876
Annotation	Caffeic acid 3-glucoside
Peak:m/z	Relative Intensity
55.01875	0.7
59.01380	19.9
67.01453	0.5
70.12695	2.6
70.60180	0.6
71.01382	16.8
71.01777	0.9
72.99323	1.4
73.02942	3.8
83.01419	0.8
85.02942	3.1
87.00856	0.8
89.02443	17.0
93.03452	4.0
95.01396	1.7
101.02437	7.4
105.03487	1.7
107.05029	2.8
113.02442	7.5
115.00366	1.0
119.03507	4.8
121.02961	2.2
123.04509	1.3
131.62300	0.5
133.01419	1.0
134.03732	4.2
135.04529	99.2
136.01694	0.7
136.04868	3.2
137.02440	10.3
137.06085	1.5
138.05598	1.7
139.04007	0.6
140.20708	0.8
143.03510	1.6
149.02452	4.9
149.04488	0.8
151.04042	0.8
161.02466	2.2
161.04550	1.4
167.50774	0.5
179.03505	100.0
179.05499	4.9
180.03860	4.4
181.05066	2.6
195.05064	0.6
207.02945	1.0
209.04477	0.7
221.04439	0.9
225.03955	3.0
261.06219	0.6
281.06573	1.5
341.08383	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	341.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76961	0.8
59.01378	30.4
67.01886	0.8
70.58714	2.2
71.01385	24.4
72.99333	1.1
73.02960	4.0
75.00856	1.1
77.03972	1.4
83.01418	1.9
85.02957	4.4
87.00883	1.9
87.94659	0.7
88.57190	0.8
89.02443	23.3
91.05483	1.0
93.03466	3.7
95.01391	1.9
95.05015	0.9
101.02444	10.0
105.03485	3.0
107.05018	6.2
113.02446	8.5
119.03517	7.8
119.04997	1.4
120.33403	0.8
121.02957	3.2
123.04521	3.1
131.03558	1.3
134.03723	3.5
135.04523	100.0
136.04872	3.2
137.02458	6.8
137.06061	2.4
138.05588	3.1
143.03462	2.6
148.01688	0.9
149.02435	8.2
149.06023	0.9
150.02785	0.9
151.04097	1.6
161.02400	1.9
161.04526	2.3
163.03995	2.4
179.03499	96.5
179.05533	7.4
180.03830	3.7
181.05052	3.4
195.05066	2.9
201.20370	0.8
207.03053	1.6
225.04034	12.9
241.01439	0.9
256.82639	0.8
281.06824	1.1
287.40344	0.9
331.24884	0.8
341.07904	4.2
341.10834	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	341.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76961	0.8
59.01378	30.4
67.01886	0.8
70.58714	2.2
71.01385	24.4
72.99333	1.1
73.02960	4.0
75.00856	1.1
77.03972	1.4
83.01418	1.9
85.02957	4.4
87.00883	1.9
87.94659	0.7
88.57190	0.8
89.02443	23.3
91.05483	1.0
93.03466	3.7
95.01391	1.9
95.05015	0.9
101.02444	10.0
105.03485	3.0
107.05018	6.2
113.02446	8.5
119.03517	7.8
119.04997	1.4
120.33403	0.8
121.02957	3.2
123.04521	3.1
131.03558	1.3
134.03723	3.5
135.04523	100.0
136.04872	3.2
137.02458	6.8
137.06061	2.4
138.05588	3.1
143.03462	2.6
148.01688	0.9
149.02435	8.2
149.06023	0.9
150.02785	0.9
151.04097	1.6
161.02400	1.9
161.04526	2.3
163.03995	2.4
179.03499	96.5
179.05533	7.4
180.03830	3.7
181.05052	3.4
195.05066	2.9
201.20370	0.8
207.03053	1.6
225.04034	12.9
241.01439	0.9
256.82639	0.8
281.06824	1.1
287.40344	0.9
331.24884	0.8
341.07904	4.2
341.10834	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2325
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
61.47376	0.2
70.53688	0.2
80.68364	0.2
115.26965	0.2
128.12584	0.2
147.08182	0.3
152.80014	0.2
163.11284	100.0
164.11613	6.6
170.00473	0.3
183.01212	4.6
202.20242	0.2
339.19867	6.9
339.23315	50.0
340.20129	0.6
340.23615	5.2
346.23254	0.2
349.07492	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2539
Annotation	7alpha,8-dihydroxy-5beta,8betaH,9betaH,10alpha-Labdan-15-oic acid
Peak:m/z	Relative Intensity
57.03448	29.5
59.01354	3.0
69.03445	1.3
71.04993	3.3
71.09184	1.0
83.05006	2.9
85.06590	5.7
95.04999	0.8
109.06599	0.9
111.08172	4.4
125.09717	1.2
127.11294	7.9
135.04515	1.8
151.11322	3.6
153.09233	1.7
153.12810	3.4
155.14375	2.6
167.14381	8.7
169.12305	7.6
185.15440	10.1
191.14415	1.8
193.15900	1.8
195.14014	1.4
197.02795	1.6
197.15472	6.5
209.15533	1.0
211.17023	15.1
212.17368	0.9
213.18622	10.2
216.29388	0.9
225.18593	8.0
237.22168	4.3
239.20125	2.6
261.22086	0.8
277.25244	2.0
279.23279	30.7
280.23615	3.0
295.26401	99.7
296.26724	9.8
305.14807	0.8
339.16724	5.4
339.25375	100.0
340.25671	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	340.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32119	0.3
55.59188	0.4
69.92690	0.9
69.93108	1.3
79.95760	1.2
111.76178	0.4
119.05006	0.9
121.15676	0.4
129.89278	0.5
131.92175	0.4
145.98238	0.4
163.11287	99.5
164.11615	92.0
165.11902	2.3
170.00436	1.5
171.00771	0.9
183.01198	33.3
184.01540	26.3
185.00668	4.1
195.21001	0.4
240.07832	1.0
276.23969	0.5
340.20255	100.0
340.23730	79.8
341.19897	14.0
341.24069	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	339.1997
Annotation	NORETHINDRONE ACETATE
Peak:m/z	Relative Intensity
64.09754	0.3
70.18755	1.0
79.95759	1.3
83.41050	0.3
98.95586	0.4
103.20523	0.3
119.05042	1.1
148.26025	0.3
170.00458	1.4
171.77722	0.3
183.01205	49.6
184.01726	3.2
197.02774	3.7
198.03442	0.5
198.38809	0.4
211.04314	0.4
216.00972	0.6
225.05890	0.7
239.07487	1.1
253.08951	0.3
339.19977	100.0
340.16113	0.6
340.20291	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	339.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
71.38883	0.5
79.95758	1.2
80.32882	0.3
86.83846	0.3
93.71580	0.3
119.05020	1.6
141.81587	0.3
157.92102	0.3
163.11290	33.4
164.11615	1.7
170.00407	1.0
183.01205	59.5
184.01711	3.2
197.02690	1.0
198.03564	0.7
212.05057	0.4
216.00829	0.7
225.05907	1.4
239.07475	0.9
244.04016	0.4
339.19910	100.0
339.23334	12.5
340.20251	11.6
340.23685	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09790	2.4
59.01107	4.1
59.01385	62.2
59.63914	2.4
62.73159	2.5
70.85506	6.3
71.01381	16.8
73.02937	6.8
87.00851	2.5
89.02449	10.1
93.58060	2.5
95.05013	2.8
96.96004	5.8
99.57011	2.4
101.02458	12.0
105.03443	13.3
107.05009	2.9
109.02966	4.0
113.02433	5.6
121.02943	3.8
122.03677	2.7
133.02977	6.5
135.04517	22.6
149.02403	6.2
150.03217	3.6
177.01958	25.3
178.02718	22.5
209.04549	11.5
237.16856	10.2
295.09760	4.5
309.18930	11.5
309.69006	3.8
318.19431	78.1
318.69547	22.4
321.17102	4.2
339.12888	5.1
339.16232	4.0
339.19913	100.0
339.25220	12.2
339.70114	42.9
340.20056	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10810	0.3
71.28100	0.5
72.48041	0.3
79.95749	1.3
89.36528	0.4
115.92068	0.5
119.05026	0.7
163.11267	2.3
170.00465	0.6
183.01195	40.7
184.01953	8.3
197.02866	1.8
198.03447	0.5
216.00914	3.1
225.05769	0.4
239.07474	0.3
324.28088	0.3
339.19962	100.0
340.20288	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	339.1998
Annotation	NORETHINDRONE ACETATE
Peak:m/z	Relative Intensity
54.06014	0.4
55.44720	0.3
71.28473	0.6
79.95715	1.5
86.80183	0.3
102.46079	0.3
117.94922	0.3
119.05037	0.7
133.00131	0.3
157.01010	0.3
163.11308	2.5
170.00414	0.5
183.01207	40.6
184.01996	13.4
185.02379	0.6
197.02803	1.6
216.00935	4.6
239.07605	0.4
339.19968	100.0
340.20279	10.3
340.24197	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	1.1
60.45740	0.8
60.81003	0.8
69.93726	0.8
77.03983	0.9
81.03451	1.6
84.93211	0.8
89.03979	1.1
91.05543	4.1
93.03470	1.8
95.05027	1.6
97.06573	1.3
98.71117	0.8
101.15337	0.7
105.03458	29.0
106.03770	1.1
107.05026	14.6
108.02171	2.7
109.02942	5.8
112.02505	0.9
121.02961	7.4
122.03756	4.3
123.04537	1.0
124.01662	1.7
125.02452	1.3
133.02959	17.6
134.03319	1.1
135.04526	100.0
136.01668	1.9
136.04796	3.7
137.02438	5.6
148.01677	6.6
149.02448	15.1
150.03212	10.2
151.03941	2.9
153.11240	0.8
157.57060	0.8
161.02419	1.2
163.03989	3.4
168.37804	0.8
177.01927	63.7
178.02705	45.8
179.03329	6.1
181.05045	2.1
203.07100	2.3
209.04538	25.3
209.06564	0.8
210.05232	3.7
229.04778	1.2
275.09219	3.6
277.10791	1.4
285.59805	0.8
333.43170	0.8
339.54623	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.072
Annotation	Esculin
Peak:m/z	Relative Intensity
51.83737	0.2
60.93435	0.2
61.70712	0.2
71.10827	0.4
81.03481	0.4
89.03969	1.6
94.09240	0.2
95.05036	0.2
99.92634	0.2
105.03459	3.8
109.38439	0.2
116.92832	0.3
133.02959	8.7
134.03258	0.4
144.71472	0.2
149.02437	0.8
176.01169	0.5
177.01927	100.0
178.02252	4.6
182.72018	0.2
251.09395	0.3
339.07620	1.5
340.07730	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0873
Annotation	Piperphilippinin IV
Peak:m/z	Relative Intensity
55.48826	2.5
59.01366	9.7
61.68412	2.3
61.98796	2.6
63.51948	2.7
78.59757	3.2
103.05556	4.4
114.24795	3.0
119.04995	3.0
121.02952	40.4
135.04504	8.0
147.04498	58.4
161.92145	2.8
183.01190	53.9
184.01674	3.1
193.10216	29.3
197.02803	5.6
207.08157	5.4
207.11784	5.9
208.97430	3.0
221.09734	4.4
223.07762	3.6
225.05774	3.0
251.07080	11.7
251.10805	16.1
258.41754	3.1
289.04233	2.9
295.09766	65.4
296.09985	3.2
339.04654	3.3
339.08719	69.6
339.16315	100.0
339.20160	8.9
340.08884	7.1
340.16690	5.9
357.75705	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	339.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.6
69.25313	3.6
72.20227	0.3
77.03986	0.8
81.03458	1.1
89.03952	1.9
91.05527	5.3
93.03462	1.5
95.05033	1.2
97.06597	0.6
102.01287	0.3
105.03462	27.5
107.05036	14.3
108.02193	2.4
108.05353	0.5
109.02951	9.5
110.45820	0.3
119.05016	0.4
121.02962	7.5
121.03770	0.7
122.03765	4.5
122.61936	0.4
124.01670	1.3
125.02458	1.3
133.02959	14.9
134.03734	0.6
135.04527	100.0
136.01662	2.4
136.04805	3.9
137.02454	5.1
137.06081	1.1
148.01666	6.3
149.02448	14.1
150.03233	7.4
151.04022	3.2
160.05064	0.5
161.02426	0.9
161.05965	0.4
163.03958	1.8
175.07678	0.5
177.01926	57.7
178.02701	43.3
179.03387	4.9
180.04173	0.5
181.05087	2.4
188.04779	0.5
195.06430	0.4
203.07127	1.4
205.08667	0.4
209.04547	25.2
210.05193	2.4
231.10194	0.6
267.47565	0.4
275.09167	4.1
276.09677	0.6
277.10791	1.7
288.33224	0.4
307.11731	0.5
329.01791	0.4
339.14209	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2383
Annotation	Sclerophytin A
Peak:m/z	Relative Intensity
57.03449	19.3
59.01386	2.8
60.99309	1.4
67.52708	0.5
69.03452	4.1
69.32254	1.0
69.32650	3.8
71.05008	0.5
79.05529	0.5
83.05021	0.9
83.07652	0.4
95.05042	0.8
97.06590	5.1
99.04521	2.9
107.05042	1.1
109.06563	0.7
119.08668	7.3
121.06604	1.0
123.04536	2.7
123.05267	0.5
123.08157	1.6
125.09732	1.5
135.04543	3.9
135.08092	1.1
137.09723	81.5
138.10081	3.8
139.11290	13.4
141.09235	2.2
141.12897	0.6
142.12791	0.5
151.03960	0.6
151.11285	5.2
153.12851	27.5
154.13158	0.7
155.14413	9.6
156.14749	0.6
163.91913	0.5
169.12347	2.1
171.52635	0.5
178.02954	0.5
181.08768	2.6
183.13858	0.8
195.13913	0.6
199.13391	7.8
200.13686	0.8
257.22641	0.6
275.23853	2.2
279.56216	0.5
293.24838	1.1
337.23831	100.0
338.20084	0.7
338.24185	10.8
350.36633	0.5
357.30148	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.202
Annotation	Monacolin J acid
Peak:m/z	Relative Intensity
57.03438	3.9
57.86853	1.4
58.22491	1.6
59.01380	11.5
65.55619	1.4
76.47696	1.7
83.05035	5.4
96.96043	1.9
98.19721	2.7
99.04525	1.7
99.48928	1.5
107.05020	4.1
112.77126	1.5
122.03714	2.3
123.08916	1.6
125.09795	2.0
135.04530	21.8
151.11258	5.3
167.14366	2.5
169.12321	2.0
229.50880	1.8
249.18413	3.4
249.22226	51.1
250.22574	3.0
265.21753	27.1
266.22003	2.7
293.21237	58.2
293.24298	2.0
294.21512	4.9
294.49188	1.5
337.20209	100.0
337.23862	12.3
338.20572	8.0
338.24286	2.8
338.90521	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2385
Annotation	Sclerophytin A
Peak:m/z	Relative Intensity
53.03812	0.7
57.03446	5.4
59.01380	4.7
66.59227	0.8
69.03442	2.6
69.99487	0.9
71.52463	1.3
84.51765	0.8
97.06603	1.1
99.04515	6.9
107.05017	1.6
116.05067	18.4
119.08629	1.7
123.04487	1.0
125.09722	7.5
133.02969	0.9
133.10252	1.7
135.04521	6.7
135.11798	2.7
136.04932	0.9
137.09721	20.9
139.11304	4.0
141.12839	2.3
151.11282	23.8
153.12848	6.4
154.96884	0.8
155.14397	2.4
167.10759	3.1
169.12350	11.7
177.16467	2.1
190.89929	0.8
193.05009	1.2
199.13371	1.2
221.04547	1.3
222.00415	0.8
231.21164	8.8
260.44034	1.0
273.94864	0.9
275.23660	1.0
319.22684	1.1
337.03555	1.0
337.23816	100.0
338.10327	3.6
338.24191	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	337.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	1.1
57.03434	2.8
59.01382	7.8
60.05190	1.3
64.53540	1.3
67.33498	1.1
69.03443	2.1
71.01397	1.8
71.05016	9.4
73.02946	1.9
77.03991	2.1
79.01886	1.8
81.03445	4.4
83.05032	4.3
85.02955	1.1
85.06583	5.9
89.03973	5.1
93.03459	3.6
93.07066	1.8
95.05019	3.7
97.06575	4.6
99.04534	7.7
104.02685	5.0
105.03487	9.9
107.01379	2.5
107.05016	5.8
108.02132	1.5
109.02972	6.8
110.00047	1.3
111.04555	1.9
111.08107	1.4
111.48524	1.2
117.03465	1.7
119.05019	2.6
121.02957	14.8
123.00843	2.0
123.04525	5.1
124.01640	1.3
125.02454	1.7
127.11296	2.0
129.09253	2.0
132.02184	1.2
133.02953	29.4
134.03723	1.7
135.00879	8.5
135.04526	26.9
135.08086	1.4
137.06010	1.6
137.09712	8.7
139.03979	2.5
139.11273	2.2
147.08131	1.9
148.01665	7.4
149.02448	26.0
150.03116	2.8
151.03958	2.7
151.11270	1.3
153.12852	3.0
161.02443	9.8
162.03200	2.0
163.03987	3.7
164.04674	1.2
165.05505	1.8
167.03520	2.0
175.07693	2.5
176.01108	6.4
177.01932	64.9
178.02255	3.3
179.03496	2.3
179.14378	2.3
180.04259	5.7
181.05066	8.8
191.03532	2.0
193.05017	3.3
199.07634	1.4
201.09207	1.4
203.07109	3.6
205.16032	6.6
207.03003	3.9
208.03770	40.6
209.04533	72.3
210.04845	3.3
211.17020	17.8
223.16991	2.0
235.09753	3.6
237.18704	1.6
245.08272	2.5
259.09845	1.6
277.10855	2.2
293.24881	46.7
294.25323	1.9
305.10327	4.4
337.12921	100.0
337.23810	41.5
338.13412	7.1
338.24176	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	337.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	2.1
59.01378	8.7
61.98825	1.5
67.01943	1.3
69.65438	2.4
69.65845	6.8
71.01377	1.5
71.05013	4.1
77.03970	2.0
79.01896	1.9
81.03457	2.5
83.05028	2.5
85.06602	1.9
89.03970	5.0
91.05537	2.1
93.03471	4.1
93.07061	2.4
95.05017	4.8
96.96017	1.5
97.06590	2.8
98.19955	2.5
99.04502	9.8
100.22644	1.2
104.02666	6.1
105.03460	12.9
107.01398	3.8
107.05013	6.4
108.02214	1.6
109.02953	5.7
110.00100	1.8
111.04499	2.6
117.03468	2.8
119.04995	2.5
121.02964	19.2
121.80343	1.4
122.03764	1.6
123.04545	6.8
123.14985	1.2
124.01675	2.9
124.18692	1.2
125.02469	1.4
127.11338	2.1
133.02957	36.4
134.03751	2.0
135.00893	9.1
135.04521	28.1
137.02486	1.4
137.09706	3.0
139.04012	2.1
142.44707	1.3
147.04533	1.8
148.01689	11.0
149.02446	32.7
150.03241	1.6
151.03996	1.9
153.12828	1.7
161.02441	10.8
163.03990	4.0
164.04645	1.7
165.01883	1.3
165.05586	2.1
173.09781	1.6
175.07645	3.7
176.01118	7.6
177.01927	73.7
178.02252	5.0
179.03423	3.2
180.04303	7.7
181.05066	6.5
191.03456	2.8
193.04987	2.8
201.09303	2.1
203.07275	2.8
205.15942	2.8
207.02948	4.4
208.03760	45.0
209.04536	73.8
210.04832	2.6
211.16942	4.1
217.08676	1.8
235.09708	3.8
244.37155	1.5
245.08286	2.4
246.52562	1.3
257.51086	1.6
259.09723	2.6
277.10773	2.3
293.24826	12.9
305.10260	5.8
337.12906	100.0
337.23810	21.7
338.13171	7.8
338.24112	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28273	1.0
59.01381	52.6
63.34362	1.0
69.38660	8.5
81.03450	2.2
85.02953	2.4
96.95996	2.3
97.78926	1.0
106.42674	0.9
109.02974	1.5
111.00879	2.4
121.02994	1.2
123.00858	4.2
123.04520	3.8
124.01666	22.1
125.02460	2.2
133.02968	1.1
135.04533	2.5
137.02425	12.7
137.06110	1.6
146.03745	1.0
149.06123	1.2
150.03247	5.0
151.04005	11.6
152.04805	5.9
159.04579	1.6
161.02435	6.6
161.09700	1.6
164.04799	1.3
165.05565	12.8
173.02469	1.1
174.03174	2.4
174.45518	1.0
175.03932	1.5
175.07605	4.7
176.01100	1.7
176.04851	1.2
177.01930	2.3
177.05573	3.5
177.09250	4.6
179.03438	1.6
180.03917	1.2
181.03972	1.5
187.07672	8.4
195.02917	1.2
196.03755	24.1
199.55745	1.1
201.01991	1.7
202.06277	3.0
203.07185	6.0
203.10756	3.2
205.08713	8.6
206.08968	1.0
209.06012	2.0
211.03970	1.3
221.08147	4.1
221.11732	5.2
225.05583	1.1
231.06537	1.3
231.10248	8.1
233.07983	1.1
235.04080	1.3
237.05557	3.5
246.22958	1.0
249.07649	3.2
249.11308	41.5
250.11708	2.8
253.05112	2.4
263.03537	2.8
264.04218	3.0
265.05008	4.6
267.02811	1.2
274.39987	1.0
275.09225	22.4
275.90979	1.1
281.04501	3.2
291.03003	3.2
293.04660	3.8
293.10300	100.0
294.10648	9.0
309.04041	6.7
337.03513	39.5
337.08298	1.9
337.09439	2.1
337.13019	1.6
338.03918	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	335.2228
Annotation	13R,14R-Epoxy-15S-hydroxy-5Z,8Z,11Z-eicosatrienoic acid
Peak:m/z	Relative Intensity
53.57167	3.5
55.43259	3.2
57.03446	27.4
59.01379	42.0
69.03458	22.5
69.31079	19.8
69.31504	12.6
71.01366	7.2
73.02960	4.3
73.59084	3.6
75.95626	4.2
78.42038	3.9
83.05015	9.6
92.79993	3.8
93.03455	4.1
95.05014	7.5
97.06583	5.5
97.62789	4.4
98.20605	7.7
99.08122	7.3
103.85657	4.2
109.06618	7.0
113.09729	40.6
119.08705	7.6
121.10231	7.2
127.07601	8.3
129.09215	14.1
135.11670	3.8
137.09698	5.6
139.11287	20.5
147.11815	6.8
149.13330	9.2
161.13326	7.6
163.14905	5.2
165.12865	6.6
173.13341	39.5
175.11238	7.9
179.10771	4.5
189.12868	11.9
191.10727	4.3
191.14400	11.9
193.12332	100.0
194.12654	7.1
201.16452	4.1
203.10699	5.2
205.12283	11.0
207.13858	13.2
211.47548	3.9
217.12300	18.1
223.13437	10.6
235.13419	25.0
255.21161	30.3
273.22275	23.1
277.20981	4.1
299.20099	4.9
317.21167	26.9
335.22229	73.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2227
Annotation	11(R)-HPETE
Peak:m/z	Relative Intensity
51.21260	1.4
57.02260	1.3
57.03429	4.1
59.01374	16.4
59.19984	1.3
65.03941	1.9
65.93980	1.3
69.03458	9.0
71.01389	2.9
71.05017	1.6
71.51458	2.3
78.41009	1.4
81.03448	2.0
83.05024	4.6
85.02931	2.9
97.02960	26.5
97.06582	1.6
99.08137	3.7
106.04153	1.5
111.08207	2.2
113.09710	5.2
121.10247	4.0
129.09218	2.1
131.08632	1.4
137.09770	1.9
139.11301	3.9
147.08194	2.1
149.09698	10.3
151.11246	1.7
161.09723	2.1
165.12833	2.8
167.10771	100.0
168.11110	5.5
173.13351	4.7
179.10730	5.2
189.12907	1.7
191.10745	2.9
191.14388	5.6
195.10173	2.1
205.12248	2.1
207.13857	1.8
209.11795	8.1
217.12416	3.6
235.13361	21.8
236.13745	1.8
255.06311	1.6
255.21155	3.6
273.22189	5.7
317.21298	14.8
335.18356	2.3
335.22314	42.8
336.22641	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2229
Annotation	13R,14R-Epoxy-15S-hydroxy-5Z,8Z,11Z-eicosatrienoic acid
Peak:m/z	Relative Intensity
51.07421	4.2
57.03455	42.7
59.01379	64.7
63.84858	5.0
65.03990	4.8
69.03443	33.4
83.05019	13.3
95.05032	9.9
97.02972	10.4
97.06585	9.3
98.19862	10.8
99.08168	12.1
107.08678	5.6
109.06575	8.6
111.08150	5.7
113.09736	46.9
119.08704	7.1
121.10245	13.9
127.07669	11.7
129.09227	18.5
139.11310	24.0
142.17329	4.9
147.11823	5.4
149.13371	13.9
156.67970	5.2
161.13408	10.7
165.12868	13.3
167.10765	10.8
173.13402	34.5
175.11285	11.5
176.99805	4.7
177.12898	6.9
179.10808	9.1
179.14366	7.4
181.12323	8.1
189.12831	28.0
191.10764	9.1
191.14372	18.4
193.12331	100.0
205.12306	20.0
207.13899	19.9
209.11815	15.9
210.24474	5.0
217.12352	17.1
223.13445	13.7
226.03600	4.7
234.36101	4.9
235.13400	51.4
238.55420	5.1
243.10069	4.4
255.21120	30.5
256.21527	7.1
271.79745	4.2
273.22211	23.3
299.51956	5.1
317.21121	30.6
335.22269	73.7
336.22681	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	335.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	71.3
59.20174	4.7
61.37783	4.8
75.25158	4.1
91.01877	4.2
98.19845	9.3
99.00653	12.6
101.88221	4.5
136.55492	4.4
147.00815	4.9
159.13388	4.8
183.03052	5.7
194.92804	5.4
206.16040	6.2
230.44406	4.9
253.21710	100.0
254.22327	5.6
282.75891	4.3
289.54852	4.8
316.39868	4.8
335.21979	71.3
336.22565	7.8
357.85919	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	335.2226
Annotation	hepoxilin B3
Peak:m/z	Relative Intensity
57.03448	9.0
59.01377	34.4
64.98853	4.2
69.03455	47.6
69.23928	37.9
71.01389	4.7
77.86297	4.4
83.05025	8.0
93.03452	5.2
94.68986	4.1
95.05026	5.4
97.06600	4.7
108.05841	7.5
109.06609	7.1
119.08629	4.6
121.06652	4.5
123.08175	4.8
134.07378	19.4
135.08160	6.0
137.09737	26.0
139.11302	12.8
141.50185	4.2
147.08151	34.2
149.09763	7.7
151.11269	21.4
153.09219	30.1
153.12823	33.6
155.10789	12.6
161.09683	7.5
163.07660	10.6
165.09189	11.7
167.10782	12.6
169.08682	4.5
169.12334	9.1
177.09222	17.3
181.08713	67.8
183.10262	100.0
193.08339	4.1
195.10246	41.8
196.10631	7.3
206.09401	11.4
221.08253	9.6
238.08278	4.1
255.21193	14.4
263.20193	8.9
273.22330	19.3
289.21722	14.0
291.19662	11.4
317.21109	35.7
335.22220	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0774
Annotation	5-O-Caffeoylshikimic acid
Peak:m/z	Relative Intensity
59.01377	10.5
62.25506	1.1
69.32725	8.5
69.33142	1.8
72.99307	33.8
72.99696	2.6
80.66096	1.4
83.05006	4.4
85.06590	4.6
93.03454	1.4
98.19895	2.5
99.04501	4.9
111.04524	33.1
129.05591	23.5
133.02965	13.2
134.03706	2.2
135.04532	57.2
136.04887	3.0
137.02467	1.6
144.65001	1.2
154.56746	1.3
155.03503	91.8
156.03815	2.9
161.01125	3.2
161.02454	57.5
173.04547	100.0
173.11816	1.7
179.03496	62.8
258.93307	1.4
308.96576	1.3
309.38727	1.4
335.17181	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	335.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	7.1
57.03445	5.7
58.00589	3.1
59.01381	74.2
60.01679	1.1
69.03439	0.8
69.73893	5.4
71.01384	100.0
71.05027	0.8
72.01719	1.8
72.99294	3.2
73.02949	28.1
75.00877	1.7
81.03462	1.0
83.01382	13.6
85.02949	43.0
86.06109	1.2
87.00888	4.6
88.07681	11.5
89.02447	24.6
95.01378	8.2
97.02943	2.2
98.19933	1.7
99.00892	12.1
101.02445	75.3
102.02780	1.9
111.88170	0.8
113.02448	39.9
114.02778	1.2
114.05612	8.1
119.03503	7.9
125.02431	1.9
129.01935	2.2
135.04543	5.3
143.03494	5.8
147.52928	0.9
150.40399	0.8
159.02991	8.0
161.02437	2.1
161.04561	51.1
173.12955	42.1
174.13335	1.4
179.03532	5.6
179.04912	0.8
179.05350	0.8
201.09206	1.2
229.08760	1.5
234.97874	0.9
250.12958	47.7
251.13326	2.1
275.81174	1.0
276.10815	1.6
335.08154	1.0
335.14218	1.3
335.18222	42.1
336.14868	1.0
336.18399	4.6
338.74564	1.0
342.71942	0.9
351.32523	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	13.4
66.87498	2.2
69.60444	11.0
69.60847	5.2
72.98933	3.8
72.99310	35.7
76.50120	2.0
83.05020	3.9
85.06596	7.4
99.04540	5.3
107.05031	2.4
111.04514	42.5
129.05589	25.5
133.02942	20.3
134.03751	3.7
135.04518	69.4
137.02374	3.4
155.03496	98.0
156.03841	2.9
161.02438	64.6
162.02786	3.3
173.04538	100.0
174.04836	2.9
175.07602	10.0
179.03502	56.0
180.03781	2.5
185.52922	2.6
201.01929	8.7
215.03496	5.9
216.04213	4.4
219.06613	12.6
224.82648	2.2
229.04973	4.8
244.03789	2.4
245.08209	4.8
255.10953	2.1
273.07745	8.4
317.06723	22.0
317.92026	2.2
335.07767	19.6
336.07928	4.4
357.87555	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	335.0771
Annotation	5-O-Caffeoylshikimic acid
Peak:m/z	Relative Intensity
54.55737	0.6
59.01380	4.4
65.03967	0.7
71.01387	5.3
73.02940	2.9
81.03465	1.2
83.05020	2.5
85.02955	2.0
89.02441	1.4
93.03461	19.5
96.96001	3.3
99.00896	0.9
101.02438	2.8
107.05045	1.9
109.02956	1.0
111.04507	6.6
111.08178	0.8
113.02431	1.3
115.00333	0.6
131.07137	1.4
133.02956	17.3
134.03745	5.8
135.04521	100.0
136.04889	4.6
137.02422	6.9
155.03517	4.0
161.02437	52.4
161.04587	1.9
162.02737	2.1
165.89345	0.7
173.04543	2.4
173.08134	2.7
173.12964	1.2
179.03488	91.7
180.03835	3.6
187.07635	2.9
215.10748	0.8
247.09517	1.2
250.12799	0.9
251.03439	1.1
307.02460	1.2
335.02036	4.4
335.07721	35.9
335.11533	1.8
336.08087	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	334.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.8
57.23428	1.2
57.97267	1.8
57.97561	64.2
59.01377	100.0
60.01706	2.9
60.83943	1.2
69.85987	2.8
69.86373	2.5
71.01362	5.1
85.02946	2.4
85.70151	1.2
86.04906	1.1
95.77769	1.1
113.02409	2.1
129.61870	1.3
135.04518	1.3
147.00853	3.1
151.03954	1.3
161.04494	1.3
335.14893	3.2
335.22177	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	334.1659
Annotation	Retroisosenine
Peak:m/z	Relative Intensity
59.01369	1.2
71.01363	1.9
71.52965	0.8
77.59580	0.6
80.32079	0.7
84.92622	0.6
92.05104	0.6
96.96014	2.2
113.02467	0.7
119.01373	1.7
119.04961	1.0
123.04501	1.8
133.06592	11.1
135.04503	1.9
135.08179	4.6
137.02420	1.2
140.07170	14.0
145.06604	1.6
146.56551	0.6
147.00848	4.8
149.06036	0.7
151.04015	1.0
156.10226	1.0
163.04018	0.9
163.07668	2.0
172.09790	97.2
173.06165	0.7
173.10115	4.6
177.01906	1.0
182.08128	1.1
196.03751	2.1
222.12947	0.7
229.12418	0.8
245.11995	0.6
272.16568	2.1
290.17566	5.0
291.08820	4.4
291.23718	0.8
317.13889	0.8
334.16599	100.0
335.17163	8.8
335.21402	1.2
335.21997	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	19.5
59.00902	6.1
59.01384	50.3
69.03444	40.9
71.01372	8.8
71.52483	10.6
73.61262	5.8
79.95731	6.1
83.05003	13.9
95.05018	14.6
97.02933	10.7
97.06568	12.1
98.03692	6.2
109.06589	13.4
111.08155	38.0
113.41792	5.7
121.10248	10.4
127.07658	16.1
128.21404	6.7
137.09756	9.3
157.43349	5.7
161.09790	6.3
173.13301	17.3
177.09169	7.0
177.12868	7.9
184.53036	6.0
191.10759	6.4
191.14423	6.8
193.12350	100.0
205.12370	15.2
207.13908	12.7
217.12357	9.7
221.11819	23.3
223.13368	45.4
235.13306	14.8
246.12599	32.2
247.13016	6.3
254.05841	91.3
271.20590	15.8
272.21069	9.6
314.97717	10.3
315.19669	20.4
333.20795	46.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32269	2.6
57.03442	12.0
57.48598	3.0
59.01377	39.3
69.03454	14.6
71.00054	8.2
71.01385	6.6
80.02686	5.4
81.03442	7.8
83.05021	10.0
85.06574	3.3
93.03479	3.6
95.05039	20.5
97.02966	5.5
97.06601	7.4
98.03726	13.1
99.08138	3.8
105.11990	2.8
106.04234	5.1
107.05049	3.4
107.08668	38.4
107.50724	3.0
108.29076	2.5
109.06554	13.7
110.03771	3.1
111.08192	6.6
113.09720	36.4
119.04925	3.1
119.08662	7.6
121.06618	15.0
123.04568	4.0
125.09720	7.6
135.08186	6.4
135.11801	4.7
137.09715	3.8
149.09688	4.8
151.11298	33.5
153.09219	59.8
154.09926	5.9
163.07687	13.9
165.12794	5.8
167.10802	3.8
169.12346	46.6
169.52597	2.7
175.11311	7.6
177.12791	5.7
179.10744	9.4
189.12868	8.7
191.14410	12.5
193.12367	21.0
195.13896	5.1
201.16490	8.7
207.13869	18.8
217.12320	4.7
217.15895	13.1
220.02272	3.1
223.13327	8.3
233.11826	9.9
235.13402	29.3
246.12506	3.9
251.14581	3.1
254.05818	26.8
271.20667	79.0
272.20993	11.4
289.21790	15.4
295.24069	3.0
297.18784	4.1
314.97940	5.9
315.19608	100.0
316.19962	11.6
333.20731	83.3
334.20969	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	1.7
59.01379	79.0
60.71989	0.8
69.47267	5.2
71.01381	100.0
72.01714	1.4
73.02930	2.8
83.01382	2.9
85.02937	7.5
85.06592	1.1
96.95992	1.1
98.19906	1.7
99.00887	1.0
101.02456	5.0
103.03973	1.6
113.02430	1.6
125.02419	1.0
129.05600	5.5
133.02956	11.8
134.03726	0.9
135.04518	7.2
147.05562	1.5
147.06638	20.6
149.02440	1.2
177.01958	4.2
179.03444	2.7
189.01924	1.4
190.02632	1.7
191.26268	0.8
248.32707	0.9
265.96225	1.0
333.06085	3.9
333.12173	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	333.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14628	0.9
57.03434	1.3
59.01378	100.0
63.59739	1.1
69.39146	7.0
71.01381	7.5
73.02943	2.5
74.36775	1.1
81.44858	0.9
85.02956	3.1
96.96018	2.0
98.19961	2.5
99.00883	1.4
101.02424	5.0
111.94901	0.9
113.02424	1.9
116.54184	1.2
121.08575	1.0
123.04487	1.5
133.02995	1.2
135.04488	2.4
137.46561	0.9
151.04010	2.8
161.04590	2.0
173.06044	2.0
179.03493	1.2
189.73894	0.9
195.68445	1.1
227.07228	1.2
254.05928	1.4
291.18134	3.7
312.36325	1.2
314.97778	2.7
315.19556	2.4
333.13843	5.2
333.16843	1.9
333.20691	22.0
334.20972	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.80113	0.8
63.57807	0.8
67.03282	0.7
71.01378	5.2
73.02940	2.6
78.20387	0.7
80.86045	0.8
85.02940	3.6
98.06559	0.8
100.49854	0.8
101.02435	5.0
105.81535	0.7
111.00239	0.8
113.02427	1.7
147.65253	1.0
161.04582	2.0
212.85052	0.9
246.96404	0.8
291.18146	5.0
333.13470	1.8
333.20758	1.2
342.90479	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.176
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75232	1.3
59.01380	100.0
64.51801	1.1
69.50620	5.8
69.51043	2.4
71.01388	7.3
73.02953	2.8
75.57796	1.3
85.02922	5.5
95.77390	1.1
101.02427	3.8
113.02479	2.6
153.88199	1.3
161.04599	3.1
193.65523	1.1
198.32596	1.2
211.18054	1.2
289.16556	1.3
298.05179	1.1
331.24579	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	331.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	29.4
71.01376	0.9
79.34878	0.6
83.05043	1.1
98.20671	1.6
153.01906	1.0
158.83972	0.6
166.23822	0.6
188.69249	0.6
211.99203	0.7
249.18581	100.0
250.18942	6.0
299.31976	0.6
331.18933	12.8
332.19305	1.0
353.91333	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2486
Annotation	9,10,18-Trihydroxystearate
Peak:m/z	Relative Intensity
57.03430	0.7
58.00581	0.8
59.01377	1.1
73.02935	0.9
73.34784	0.2
79.70633	0.2
85.02947	0.3
87.04502	0.4
96.95999	0.3
97.06591	0.2
98.19942	0.4
101.60995	0.2
113.09725	1.1
123.08166	0.3
123.70022	0.2
125.09734	1.9
127.11285	2.4
137.09695	0.4
141.09222	0.2
143.10757	1.3
155.10733	1.4
157.12340	2.1
161.06026	1.0
167.10753	0.3
171.10266	3.1
172.10471	0.2
185.11917	0.2
186.12550	0.3
187.13266	0.2
201.11316	1.6
217.88055	0.2
251.20059	0.2
287.12756	0.2
295.22687	1.1
311.22290	0.2
313.23831	4.7
314.24286	0.4
327.22021	0.2
329.23309	4.8
330.23633	0.4
331.24866	100.0
332.25211	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	331.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51111	0.1
55.72890	0.1
56.26647	0.1
57.03444	0.8
58.00602	0.7
58.17411	0.2
59.01386	0.9
71.01371	0.2
71.05022	0.2
73.02960	0.9
76.70713	0.1
83.05012	0.2
85.02939	0.3
87.04530	0.5
95.12490	0.1
96.96016	0.3
97.06638	0.2
111.08155	0.2
113.06064	0.2
113.09731	1.0
123.08144	0.5
125.09708	1.8
127.11284	2.3
133.06659	0.1
135.08136	0.2
137.09703	0.5
139.11322	0.3
141.09206	0.3
141.12758	0.1
143.10768	1.6
149.09702	0.3
153.09132	0.2
155.10782	1.4
157.12331	1.8
161.06085	1.1
167.10779	0.4
171.10269	3.1
183.10333	0.2
185.11812	0.3
186.12521	0.3
187.13429	0.3
201.11353	1.6
202.92447	0.1
216.04312	0.2
251.20049	0.2
287.12793	0.2
288.15952	0.2
289.60153	0.1
295.22794	1.6
311.22388	0.4
313.23831	4.6
314.24152	0.4
327.21667	0.2
329.23306	4.9
330.23843	0.4
331.24875	100.0
332.25223	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	332.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.9
60.35941	1.3
68.46504	1.5
68.97675	1.4
69.87587	1.5
71.01378	4.5
71.52918	2.5
79.95763	1.7
89.95992	1.4
96.96015	3.8
106.05688	1.7
123.04526	2.7
124.64330	1.5
133.06587	2.9
135.04524	2.3
148.07674	7.2
149.06087	11.4
151.04025	5.7
158.03835	2.0
159.04460	2.0
161.06108	5.3
173.05951	1.9
174.09210	4.7
177.01971	2.2
220.11295	1.6
228.13918	13.3
260.16522	45.6
261.16858	3.7
288.16049	100.0
289.16339	8.5
314.97952	1.6
315.12347	1.6
332.15152	5.1
332.25314	12.0
333.13593	6.9
333.20734	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	331.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68590	0.9
55.29267	1.0
58.17572	0.8
59.01368	4.0
69.62949	6.9
70.91977	0.9
71.01369	3.6
73.96043	0.9
85.02974	1.4
87.00877	26.1
89.02482	0.9
96.96006	1.8
102.98589	3.4
109.02944	1.1
120.99654	41.2
137.02411	1.6
147.11778	3.8
153.01964	1.2
160.41914	1.1
164.03545	1.6
169.10519	2.3
177.01967	1.2
181.03726	1.3
209.11829	12.4
225.09457	1.6
243.10591	21.9
244.10904	1.2
331.12204	100.0
332.12305	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	2.4
57.28556	1.2
58.74711	1.2
59.01375	7.8
68.02538	1.9
68.54008	1.2
69.03438	1.2
71.01386	9.2
71.51642	2.5
79.59357	1.3
81.07104	4.0
83.01382	1.5
85.02951	7.8
89.02473	3.5
93.03434	2.4
94.03005	1.5
95.01447	2.2
95.05046	1.9
101.02441	3.7
101.62262	1.5
105.07103	5.5
107.05029	8.7
113.02448	9.9
119.03501	1.5
123.04552	2.2
123.08136	6.2
125.02448	1.5
125.06086	100.0
126.06435	3.2
135.04523	11.1
135.66975	1.5
149.06065	6.2
151.03963	1.6
158.48560	1.4
167.07138	2.8
167.10756	1.2
169.05067	22.0
179.03461	3.2
188.94037	1.3
211.06113	5.1
219.43364	1.4
221.45961	1.3
235.51865	1.3
271.08316	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1219
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.7
59.01377	6.7
69.03456	1.3
69.67796	4.9
71.01383	2.4
73.05074	0.7
74.99091	1.9
83.05073	0.9
85.01167	2.3
85.02917	0.9
87.00876	6.3
89.02419	0.8
93.03461	7.5
95.55826	0.8
96.96063	0.7
98.68376	0.6
101.02434	1.2
102.98591	2.1
115.02242	2.2
120.99661	29.2
127.07672	0.9
131.05341	1.2
133.10214	2.0
134.03746	4.7
135.11810	17.4
136.12083	0.9
137.02419	2.4
147.11797	3.7
149.06053	0.8
160.01634	0.8
161.04556	1.0
165.12823	1.1
175.03970	1.6
178.02626	0.9
179.10773	2.0
181.86061	0.8
182.61751	0.7
186.70529	0.7
191.10764	1.0
193.05103	7.5
199.11615	3.3
209.09897	1.3
209.11836	23.9
210.06874	0.7
210.12167	1.2
225.09459	1.7
243.10591	26.4
243.12888	0.9
244.10887	1.8
264.61026	0.8
272.11676	0.7
287.09018	0.8
331.12170	100.0
332.12485	8.0
333.73248	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0227
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	5.8
70.78802	2.6
71.01386	19.5
72.01711	1.1
72.99305	2.4
73.02956	1.6
73.04088	1.3
81.39338	1.4
85.02938	2.7
87.00860	1.3
90.71326	1.1
93.03450	1.9
101.02444	2.5
107.05009	1.6
109.02959	2.8
111.08237	1.3
113.02453	2.5
115.00368	9.9
125.02471	2.4
133.01436	2.0
133.02946	3.6
134.03763	3.2
135.04526	100.0
136.04849	4.4
137.02448	2.1
139.07610	2.5
149.02444	5.1
149.06078	1.4
150.02765	4.3
151.02950	2.4
151.04056	1.5
153.05571	2.1
160.01622	1.6
161.04575	1.2
175.04016	4.3
179.03487	49.8
180.03792	1.4
203.03413	1.2
217.01227	1.3
228.04170	1.4
259.06027	1.3
271.06247	1.8
287.05484	3.4
302.11441	2.3
331.04639	3.3
331.08282	2.5
331.13995	4.9
331.17673	6.7
337.43225	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0669
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
50.96407	0.5
57.03446	5.8
59.01368	0.5
60.20850	0.6
62.87491	0.5
65.00331	4.6
69.02122	0.5
69.86205	2.4
71.01379	0.8
73.02937	0.7
79.98515	0.5
81.03454	3.0
83.01389	18.1
84.01747	0.9
91.51628	0.6
93.03433	0.8
97.02933	0.9
107.01392	11.4
109.02974	0.7
109.34325	0.5
116.17454	0.6
121.02948	0.8
124.01669	2.2
125.02444	57.7
126.02767	1.6
128.07764	0.6
130.08745	0.6
131.01257	0.8
131.02112	0.9
133.02917	0.8
133.05037	0.9
137.02441	0.9
149.02457	1.8
149.99530	0.5
151.00368	68.6
152.00743	1.7
156.99979	2.7
165.01918	0.9
167.03522	1.9
168.00601	3.5
169.01422	28.2
170.01741	1.1
175.00342	9.0
191.05603	2.2
193.01445	7.4
205.01419	1.2
211.02475	2.5
223.02452	0.7
313.04315	1.2
318.67630	0.6
331.06696	100.0
332.06967	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	330.138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65709	1.4
59.01374	2.2
67.94273	1.3
69.48920	9.3
71.01373	1.8
75.83570	1.2
77.96865	1.3
86.02474	11.0
90.28369	1.2
98.51473	1.3
117.71740	1.4
120.00422	2.6
120.01254	40.1
136.99159	1.5
139.07709	1.4
147.06491	1.6
147.11798	6.0
161.09814	1.4
165.12788	2.0
197.20380	1.3
209.11829	29.6
210.12071	1.9
243.10576	79.6
244.10887	4.2
259.05725	1.3
265.76834	1.6
270.08878	1.3
300.04239	1.6
330.13797	100.0
331.04318	3.3
331.14075	6.3
354.77200	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.4
59.01386	6.2
62.49884	0.7
69.03455	1.5
69.79185	3.5
71.05025	1.4
72.51572	0.8
74.00681	0.8
85.01170	2.3
86.02475	6.9
93.63447	0.7
94.47655	0.7
97.06647	1.1
98.20601	1.4
102.19566	0.7
115.02220	2.7
120.01255	24.1
125.17634	0.8
127.07629	1.5
131.05350	1.1
133.10202	2.9
135.11803	27.3
136.12119	1.2
141.60843	0.8
147.11832	6.0
154.55704	0.7
165.12889	2.1
179.10744	2.8
191.10779	2.6
199.11635	2.0
209.11823	45.8
210.12192	2.5
225.09509	1.8
243.10591	48.3
244.10976	2.5
258.04025	0.8
330.13785	100.0
331.14093	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.2
65.19017	0.3
71.01480	0.8
71.05011	0.3
73.02943	0.9
87.04579	0.3
89.39584	0.3
94.36340	0.3
97.06586	0.8
101.99156	0.3
104.33431	0.3
105.45493	0.2
111.08158	0.6
113.09717	2.4
123.08160	1.9
125.09720	5.4
127.11298	3.3
130.04288	0.3
137.09700	0.9
139.25607	0.3
141.09213	0.8
143.10742	0.8
153.09187	0.9
155.10796	0.7
157.12347	1.8
158.03720	0.6
167.21509	0.3
171.10274	12.9
172.10582	0.3
185.11833	1.0
186.12616	1.4
187.07649	1.1
200.10481	0.5
203.03378	0.3
299.22131	0.7
311.22183	1.9
312.22592	0.3
313.62222	0.3
327.21765	1.7
329.23315	100.0
330.23651	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2332
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
50.89055	0.5
57.03429	1.3
59.01366	0.9
68.57968	0.5
69.03450	0.9
83.05024	0.9
84.02163	0.8
97.06583	3.7
99.08158	5.6
113.06094	1.1
113.09692	0.5
125.09721	1.5
127.11308	3.4
130.04240	8.6
131.05048	6.4
136.93051	0.5
139.11290	5.7
143.04973	1.0
144.05835	1.4
155.10803	1.0
157.12303	0.8
158.03726	15.4
159.04521	13.6
159.08171	4.7
160.05237	1.7
165.12796	0.6
167.14412	1.0
171.08095	0.7
171.10266	16.8
172.05298	1.3
172.08955	0.6
172.10596	1.1
173.09816	0.8
173.75414	0.5
174.03200	2.0
175.03975	0.7
183.13841	4.4
186.06581	0.5
187.07642	29.4
188.08127	2.2
189.09192	0.7
193.12344	1.4
198.12033	0.6
202.02725	7.6
203.03481	13.5
203.07201	0.6
204.03795	0.9
209.11772	1.4
211.13383	23.5
212.13789	1.2
217.50893	0.6
229.14423	10.9
229.60504	0.7
231.06610	11.9
232.07375	7.7
233.07736	0.7
270.22388	0.5
283.13455	0.9
285.15054	0.7
311.22241	1.5
327.70233	0.5
329.14011	25.6
329.23306	100.0
330.14490	2.5
330.23645	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23919	1.5
58.08646	1.6
59.01375	5.7
60.97511	2.6
69.73367	9.4
72.97514	1.9
73.98314	37.8
74.99088	6.7
87.00879	9.7
90.98586	2.0
102.08977	1.8
117.97305	100.0
118.98064	5.9
120.01284	3.0
131.01753	4.1
135.11841	3.0
135.25342	1.9
149.13306	1.6
177.12849	2.0
189.12817	5.2
207.13863	2.6
209.11813	11.9
213.13162	2.5
221.11717	2.9
223.13390	2.3
233.11809	4.5
243.10332	2.1
255.10532	2.6
257.12122	2.5
271.02271	2.0
285.11697	4.9
299.08994	2.4
329.06653	2.4
329.10501	27.2
329.14026	4.6
350.92227	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.2
59.01380	0.9
65.00330	0.3
71.01391	0.3
71.52196	0.2
73.02974	0.2
75.35856	0.1
75.36267	0.2
75.39914	0.1
77.03960	1.4
79.95740	0.2
93.03457	1.9
95.01370	1.4
95.05030	1.5
96.96017	1.5
105.03477	0.5
106.54246	0.1
107.01411	0.2
121.02959	10.1
122.03459	0.2
122.78992	0.2
123.04540	0.7
132.02165	1.1
133.02927	0.2
135.04587	0.3
137.02356	0.2
147.04524	0.6
148.01668	0.5
149.02438	100.0
150.02766	3.2
153.05611	0.2
164.04791	15.0
165.05161	0.6
166.06348	1.1
167.07132	7.0
168.07455	0.3
170.48911	0.2
181.08665	0.2
182.12709	0.1
183.04550	0.4
184.59576	0.1
195.95277	0.1
217.74144	0.1
225.05527	0.4
233.83406	0.1
240.07968	0.2
253.05179	0.2
254.05695	0.2
269.04541	0.2
269.08243	0.1
270.08932	0.7
271.09662	0.5
282.08710	0.2
283.09756	2.5
285.07718	0.7
285.11349	1.2
297.04175	0.2
314.11584	25.4
315.11902	1.9
317.90042	0.2
329.06860	0.9
329.13922	36.3
330.14246	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93123	0.6
59.87727	0.7
59.99981	0.5
69.16389	6.0
69.16721	1.0
71.07234	0.6
74.21362	0.6
74.99048	0.5
92.96537	0.6
93.03461	1.3
98.20768	1.0
107.19298	0.6
109.02956	1.5
117.97289	2.5
119.04978	1.0
121.02066	1.3
121.02950	27.2
128.76620	0.6
134.03738	0.6
135.04523	3.0
147.04523	7.7
159.04488	2.9
162.05569	0.9
168.03027	2.3
171.04475	0.8
192.07903	1.3
196.05286	1.2
209.05977	1.3
209.11641	0.7
211.03975	1.0
212.04778	5.6
222.06816	0.9
223.07567	1.7
225.05540	1.5
226.06328	2.5
226.61719	0.6
227.07249	1.1
227.10797	1.0
237.05428	0.8
238.06235	1.1
240.04288	5.7
241.04863	0.8
241.08696	3.0
243.10245	2.2
250.06322	1.2
251.07088	2.7
252.56166	0.7
253.05022	1.0
253.08600	3.1
254.05829	9.0
255.06430	1.2
255.10272	1.5
263.07077	1.5
268.07407	1.7
269.08173	68.5
270.08521	5.2
271.09769	9.1
281.08148	12.6
282.08777	2.4
283.09659	4.0
285.12323	0.7
286.04730	1.2
298.08304	1.1
299.09229	50.7
300.09525	4.9
313.10925	1.8
314.11575	67.9
315.11890	6.1
329.13919	100.0
330.14246	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	329.1064
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42785	0.5
55.74117	0.5
57.03428	0.6
59.01377	2.4
62.64174	0.6
65.89832	0.6
71.01384	2.1
73.03014	0.6
79.95747	0.6
80.96474	0.5
83.01401	0.7
96.95379	1.3
96.96011	26.0
97.06580	1.0
97.67291	0.5
109.02947	0.8
117.97287	0.8
120.99656	100.0
121.99958	0.8
130.04218	0.9
134.03734	0.6
135.04517	3.5
139.07626	0.6
145.02953	1.9
158.03720	1.1
159.04453	1.1
161.10010	0.8
163.11311	1.1
171.10332	0.7
178.02780	0.6
179.03510	2.0
183.01123	0.6
183.08130	0.7
187.07632	3.0
199.00690	1.0
202.02719	1.0
203.03496	0.9
207.10355	1.2
212.35503	0.6
231.06667	1.4
241.08876	0.6
270.05124	0.5
271.05960	0.8
279.43484	0.6
285.11636	0.8
299.09241	1.6
300.10217	0.6
311.22278	1.4
329.10559	6.5
329.14188	4.8
329.17371	1.4
329.23303	8.5
330.11066	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1029
Annotation	Angulifolin C
Peak:m/z	Relative Intensity
59.01366	3.3
71.01367	1.4
83.75497	0.9
93.03458	3.4
95.05020	1.1
98.36040	1.1
109.02957	7.0
117.97290	2.0
118.98094	0.9
121.02964	30.8
122.03736	1.1
123.04525	1.8
134.03751	1.7
135.04523	3.2
147.04521	4.6
148.05324	5.3
149.05994	1.4
159.30428	0.8
161.06038	2.6
162.03203	2.6
163.07677	4.3
180.04260	1.8
183.04622	0.9
199.07503	1.0
201.75826	1.0
209.06027	1.4
211.04012	1.3
211.07541	1.9
212.04655	2.0
213.05408	1.2
223.07736	1.0
225.05484	5.3
225.09087	1.8
226.06287	2.9
227.07063	2.3
229.17784	1.2
237.05548	3.2
238.06293	1.1
240.04359	3.2
241.05042	3.1
241.08701	3.8
242.05830	2.5
243.50957	0.9
251.07275	1.9
252.07837	1.5
253.05008	1.4
253.08736	4.1
254.05798	6.8
255.06596	9.1
257.08078	1.9
267.10068	0.9
268.07193	1.5
269.08179	63.2
270.08871	19.9
271.09518	3.3
281.08200	1.6
283.09668	1.4
285.07678	1.8
285.11319	4.5
296.06897	1.1
299.09235	14.8
311.09244	21.1
314.08084	2.0
314.11533	13.3
329.10242	100.0
329.13980	24.8
330.10617	6.7
330.14255	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	329.0699
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08521	1.2
59.01381	2.9
66.92009	1.3
68.38889	1.3
69.45012	2.3
69.45329	9.3
73.98681	1.4
75.10748	1.3
85.02923	1.5
85.92838	1.3
99.03240	1.1
110.47080	1.1
121.02950	6.2
123.04547	1.4
128.21432	1.4
134.03743	58.0
135.01222	100.0
136.01530	2.5
149.02441	44.0
149.04918	2.4
149.06082	45.9
150.02786	2.9
164.04756	6.4
165.74731	1.2
167.03514	3.5
167.07205	2.8
183.04482	2.4
193.05083	7.7
211.04062	1.6
225.05533	1.8
285.07581	5.4
314.11597	10.8
316.61960	1.4
318.35681	1.3
329.06689	4.2
329.13965	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	329.0878
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
59.01395	0.6
69.55341	2.8
71.01385	0.7
72.38827	0.5
85.02973	0.6
95.01377	0.7
105.39943	0.5
108.02176	63.3
109.02483	1.1
123.04524	25.2
124.04881	0.6
125.02422	1.1
150.37955	0.4
152.01154	39.7
153.01544	1.0
167.03496	100.0
168.03841	4.1
198.74164	0.5
329.08896	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	8.5
60.83664	2.6
64.40427	3.1
66.91980	3.2
70.89035	8.2
71.01385	11.7
72.86669	3.3
101.02489	5.1
113.02531	3.9
113.48215	3.5
115.00425	2.9
123.04529	85.5
125.71962	3.5
134.02809	74.3
134.03754	100.0
136.01671	5.8
137.01988	3.0
138.59746	2.6
149.06079	84.7
151.04016	12.7
152.04330	8.3
163.03938	3.6
165.05612	3.7
166.66197	3.6
167.03421	6.8
178.02681	4.0
193.05028	15.0
211.06111	8.2
212.06451	12.6
284.09207	14.8
285.09869	18.5
305.99301	3.7
328.05118	5.6
328.08405	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	329.0213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52184	0.5
56.23786	0.5
58.73035	0.5
59.01377	41.7
61.98837	1.4
71.01391	0.6
74.99416	0.5
87.00912	0.6
115.02551	1.7
117.00446	8.0
118.51464	0.4
125.00957	0.9
126.98856	1.3
143.02010	5.0
150.66299	0.5
157.03494	1.2
159.01491	64.1
160.01613	4.1
167.07138	0.8
168.99930	4.3
170.97842	11.0
171.01480	0.9
171.98178	0.5
187.00972	100.0
188.00830	7.0
190.97322	0.6
192.34050	0.5
201.02528	15.5
202.02766	1.0
217.00543	0.6
232.98212	1.1
241.00542	1.2
243.07881	0.5
274.99368	4.4
275.99652	0.8
287.01086	0.8
290.24030	0.5
311.00861	0.6
328.96628	1.8
329.02286	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	328.0454
Annotation	cAMP
Peak:m/z	Relative Intensity
50.23955	0.2
51.47281	0.2
51.85145	0.2
52.08985	0.2
59.01381	0.2
63.75453	0.2
69.51340	0.5
69.51753	0.8
71.01375	0.3
78.95901	0.5
80.63979	0.2
82.72352	0.2
92.02550	0.8
98.20638	0.3
107.03638	4.7
108.02206	0.3
110.56694	0.2
114.17072	0.2
123.04516	0.3
134.04730	100.0
135.05167	2.1
136.27669	0.2
144.59235	0.2
148.04070	0.3
167.03488	0.5
241.81589	0.2
246.47069	0.2
326.10745	0.2
328.04468	2.7
334.37918	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2176
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
55.01868	0.8
57.03428	2.2
59.01374	1.1
67.87780	0.6
69.03448	2.0
71.01362	0.7
83.05000	1.1
84.02168	0.9
85.02949	10.2
86.04694	0.6
87.78817	0.5
95.05006	0.6
97.02940	0.9
97.06583	5.3
125.09718	2.0
127.11266	2.1
132.23932	0.5
135.06261	0.6
137.09729	1.6
154.80646	0.7
155.10847	0.5
165.12875	1.0
166.47571	0.6
167.14349	1.1
171.10268	19.4
172.10486	1.0
177.12894	1.7
183.13896	4.2
185.06197	0.6
185.11833	1.4
193.12329	1.8
197.11716	1.6
209.11865	2.5
211.13393	23.0
212.13635	1.5
221.11838	3.5
229.14435	14.2
230.14795	0.8
239.12880	2.4
291.19583	3.3
309.20792	1.0
327.21744	100.0
328.22043	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2176
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03445	2.0
59.01377	0.6
69.03445	1.4
70.84928	0.4
70.85264	0.6
71.01386	0.4
72.02509	0.3
73.02937	0.8
83.05009	0.3
87.04526	0.5
94.60414	0.4
97.06595	0.7
109.06591	0.4
109.97269	0.3
111.08130	1.6
123.08175	1.9
125.09727	5.4
127.11275	2.6
128.11613	0.3
137.02440	0.7
137.09717	1.4
141.09241	1.0
143.10823	0.8
153.09207	1.3
155.10771	1.2
157.06525	0.6
165.09196	0.8
171.10275	15.9
172.10559	0.4
180.28084	0.3
184.11024	1.2
185.06184	0.5
185.11845	1.3
201.11351	0.4
229.04970	0.6
230.05751	0.5
237.04927	0.4
291.19550	0.5
297.20636	0.5
309.20798	1.6
310.21228	0.5
325.20181	0.9
327.21753	100.0
328.12183	0.4
328.22110	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	327.1635
Annotation	Steryl sulfate
Peak:m/z	Relative Intensity
52.92535	0.4
58.94133	0.5
59.01368	1.8
69.73537	1.2
69.73936	1.0
70.29910	0.5
71.01379	0.5
78.22868	0.4
79.95762	0.9
85.02943	0.5
98.19839	0.8
103.90891	0.4
105.35033	0.5
110.81702	0.5
111.22782	0.5
133.02982	0.6
135.04561	2.4
161.02428	1.5
162.02896	0.5
166.06331	0.5
188.04662	0.5
194.99324	0.7
196.02028	1.1
197.02737	0.7
199.00702	47.7
200.01042	1.6
209.02805	1.2
210.03574	0.7
231.84145	0.6
245.19043	0.9
283.21042	0.7
309.15295	7.0
311.13312	0.6
318.14706	0.6
327.16339	100.0
327.99475	0.6
328.16605	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	327.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60724	0.9
67.01877	3.3
68.99812	1.5
71.06238	2.2
93.03452	1.8
95.01375	4.4
105.03445	1.7
107.01367	5.2
108.02164	12.0
109.02969	10.1
111.00878	4.8
119.05037	1.0
121.02962	15.9
122.03743	7.1
123.00883	29.5
123.04538	7.7
124.01693	10.1
125.02454	1.4
131.05026	2.1
132.02136	1.8
133.02959	5.8
134.03737	15.6
135.00900	1.1
135.04538	7.6
136.01662	19.1
137.02429	6.6
137.09598	1.0
138.03310	1.1
143.04979	1.3
145.02940	4.4
146.03734	20.2
147.04521	18.9
148.05231	3.7
149.02444	40.7
149.06061	12.6
150.03226	100.0
151.04019	22.1
159.04512	21.3
160.05309	7.5
161.02434	3.5
161.06071	11.7
162.03235	6.2
162.04405	1.2
162.06882	5.3
163.04001	7.3
163.07536	1.2
164.03525	1.4
164.04807	23.8
165.05565	78.8
166.05885	2.9
171.04506	3.0
174.03194	4.1
175.03998	14.1
175.07616	2.1
176.04773	8.2
176.08292	1.5
177.01979	1.6
177.05504	6.0
178.02647	1.2
179.03510	1.2
187.03954	1.2
188.04761	2.7
189.05539	3.6
190.06378	1.5
191.07126	9.1
203.07076	2.3
209.06068	3.0
222.06757	1.5
223.07610	6.9
233.05992	3.7
234.06744	1.6
235.07611	2.9
237.05432	2.2
237.09103	1.2
239.07216	1.5
249.05579	2.7
250.06329	5.0
251.07121	25.6
252.07407	1.7
253.04904	1.5
254.05717	3.0
261.05542	8.1
262.06332	6.2
263.07010	5.2
264.04388	2.0
264.07657	1.4
265.08633	1.5
266.09387	2.1
267.06528	1.4
268.07254	3.5
269.08035	3.1
270.08081	1.0
277.05026	1.9
277.08743	1.0
278.05801	11.2
279.06604	37.3
280.06973	2.1
283.09866	6.5
284.10339	2.9
293.08167	9.5
294.08972	28.2
295.06036	3.2
295.09241	1.8
297.07635	8.2
298.11810	1.3
309.07944	1.9
309.11331	26.8
310.11740	1.5
312.10004	28.0
313.10223	2.5
327.09073	3.8
327.12311	86.7
328.12613	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	327.1239
Annotation	2,3,4,6,7-Pentamethoxyphenanthrene
Peak:m/z	Relative Intensity
59.01375	0.5
68.19708	0.2
71.01384	0.2
71.52161	0.4
73.29029	0.2
74.24114	0.2
77.03960	1.5
85.09355	0.2
93.03461	2.9
95.01384	1.5
95.05030	1.7
105.03469	0.7
109.02958	0.5
119.05011	0.7
120.01263	0.3
121.02954	15.3
122.03318	0.4
123.04510	1.2
129.03418	0.5
132.02200	1.0
134.03767	0.3
135.04521	2.8
137.02444	0.7
145.06586	0.4
146.03700	1.5
147.04500	3.0
148.01654	0.6
148.04059	1.5
149.02438	100.0
150.02769	3.2
151.03973	0.5
153.05588	0.4
161.06110	0.3
163.04005	0.5
164.04797	17.0
165.01781	0.3
165.05574	4.7
166.05948	0.2
179.03435	0.3
179.07146	1.0
217.16357	0.2
218.55457	0.2
223.07611	0.2
227.02957	0.2
235.07669	0.4
240.07930	0.3
251.07130	0.6
252.07791	0.3
253.08736	0.3
261.94299	0.2
263.07144	0.4
264.07974	0.7
265.08661	0.4
267.06674	0.5
268.07602	1.8
269.08099	1.0
279.06686	0.3
280.07446	1.8
281.08051	1.0
283.09714	2.8
284.10312	0.6
295.09723	0.5
297.07822	1.6
312.10031	30.1
313.10361	3.1
327.12372	32.3
328.08252	1.3
328.12689	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1084
Annotation	Androsin
Peak:m/z	Relative Intensity
58.64959	0.4
59.01378	15.6
61.86154	0.4
70.86256	0.7
71.01385	2.6
73.02958	0.8
76.82184	0.4
84.05293	0.4
85.02953	1.8
89.02457	1.1
93.03465	6.2
99.00888	0.6
101.02471	1.1
109.02944	1.5
112.16116	0.4
113.02425	0.7
115.00320	0.5
119.03524	0.5
119.05034	3.3
120.05399	0.6
121.02976	2.2
121.05756	0.6
121.06591	7.1
123.04567	0.5
123.73239	0.3
124.03684	0.4
133.01416	0.6
135.04523	0.9
136.01649	0.4
137.02458	1.4
146.03737	0.8
147.04562	2.6
149.02443	9.4
151.90147	0.4
161.04575	0.8
163.04042	1.8
164.04672	1.4
165.05579	100.0
166.05930	3.5
167.12517	0.4
175.04050	0.5
179.07210	0.4
191.07246	0.6
193.01494	0.4
209.06146	0.6
221.06084	0.4
221.11975	0.4
227.07179	0.6
237.05652	1.1
239.07404	0.5
240.04286	0.4
251.07146	0.9
265.05063	0.6
267.06406	0.6
268.07330	1.1
279.06778	1.1
283.06213	1.4
283.09799	1.1
297.07736	0.6
309.04068	0.8
312.09949	3.5
327.05151	1.3
327.12234	3.6
328.08380	1.0
328.12305	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.072
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	22.4
59.54030	1.2
60.36609	1.2
70.70391	2.3
71.01381	20.0
79.84856	1.2
82.14105	1.2
85.02979	1.4
93.03451	1.4
99.00849	1.6
103.05528	1.9
106.04237	2.3
109.02926	3.7
115.00391	15.4
119.05048	6.4
121.02944	2.3
121.06571	1.7
123.04497	5.2
133.01428	9.0
133.02925	1.4
134.02792	15.7
134.03719	30.6
136.01660	47.7
137.02266	1.9
139.03992	2.9
149.02420	2.3
149.06049	21.0
150.03212	1.4
151.04002	100.0
152.04247	2.9
163.04008	2.7
164.04361	1.5
165.01923	8.4
165.04305	2.1
165.05588	11.4
177.01933	3.4
189.01950	2.0
193.05017	4.0
193.06604	1.7
211.06110	94.4
212.06421	4.4
217.01349	3.9
237.05486	3.5
240.04248	2.0
253.05023	2.1
255.06580	2.3
264.86774	2.0
265.04913	1.9
281.04544	2.0
283.06113	1.6
284.09247	3.7
299.05704	2.4
309.03967	10.1
312.10013	1.6
325.47516	1.8
327.04950	24.3
328.08502	2.8
342.66623	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	10.7
59.05372	0.8
64.79620	0.8
65.03961	1.1
70.37429	0.7
70.44582	0.9
71.01376	7.6
71.46768	1.2
75.00876	0.9
81.03474	3.9
85.02968	1.2
89.03967	1.6
91.62195	0.8
93.03461	4.1
99.11753	0.8
108.02145	1.2
109.02969	9.6
115.00368	6.2
117.03442	1.4
119.05019	2.7
121.02963	3.3
123.04522	11.0
133.01414	3.1
133.02950	2.7
134.02870	1.0
134.03757	3.7
135.04475	1.0
136.01671	21.1
137.02411	1.4
139.03995	2.2
145.02919	2.9
147.42522	0.8
148.01585	1.1
149.02428	1.9
151.04012	51.4
152.04323	1.3
157.02908	0.9
161.02362	1.9
163.03967	2.3
164.04503	1.2
165.01932	12.9
165.04164	1.9
165.05569	5.8
166.02238	1.1
167.03488	1.1
173.02458	1.3
176.01125	2.6
177.01962	9.8
181.05104	1.0
181.06569	2.2
185.06055	1.0
189.01921	9.5
190.02356	0.9
193.06657	4.4
195.04498	0.9
196.13667	0.9
197.06015	1.7
198.03093	0.9
201.01949	5.8
202.02513	1.2
208.05066	1.0
209.06093	6.7
211.04021	1.6
211.06075	37.8
212.06451	1.2
213.05479	1.5
214.02718	1.0
216.00652	1.7
217.01401	13.9
218.01747	2.0
219.04488	1.1
220.05203	0.9
221.06104	1.1
223.86061	0.9
224.04819	0.9
225.05559	2.5
226.02605	1.3
227.07095	1.3
235.04025	1.3
237.05586	16.8
238.06067	1.5
239.03490	1.6
239.07224	0.9
240.04233	3.7
241.05016	1.5
253.05028	6.9
254.05475	1.3
255.06584	10.3
256.06708	0.8
263.03470	1.5
265.05078	3.7
266.01837	0.9
281.04538	11.3
282.01758	1.8
283.06104	4.7
283.09402	1.5
284.06284	1.2
284.09274	3.0
291.03070	1.8
298.01074	1.1
299.05612	14.3
300.05890	1.0
308.03268	2.1
309.04034	42.8
310.04288	3.7
327.05063	100.0
328.05371	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	327.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.1
65.00327	0.8
69.66694	3.1
71.01376	2.0
71.62966	0.5
72.99299	0.5
75.43332	0.5
77.03951	1.1
84.14517	0.5
93.03459	3.5
95.01370	1.3
95.05017	1.8
99.00888	4.6
101.02424	0.7
105.03397	0.6
109.02950	2.3
109.23592	0.5
113.02533	0.6
115.70961	0.5
117.02023	0.6
119.05033	1.7
121.02960	16.0
121.06579	0.6
123.04503	1.5
129.88054	0.5
132.02130	0.8
133.02942	1.0
134.03700	1.5
135.03069	0.7
135.04538	2.1
137.02507	0.8
140.13470	0.6
145.02930	0.9
145.06564	0.9
146.03708	2.1
147.04521	6.0
149.02441	100.0
149.06058	1.7
150.02867	1.9
161.02425	1.2
161.06158	0.8
163.03996	1.5
164.04793	15.6
165.05579	5.5
175.03793	0.6
177.01930	1.0
179.07170	1.1
195.88416	0.6
221.11885	0.6
227.03799	2.9
234.06831	0.6
240.07452	0.6
251.07104	1.7
255.06564	1.0
265.05115	0.6
267.06656	1.2
268.07288	2.0
269.08191	1.2
279.06726	1.4
280.07376	1.4
281.08063	1.0
283.09909	2.9
284.09595	0.8
297.07748	2.0
299.05756	1.1
309.03973	1.1
312.10031	28.6
313.10507	1.9
327.04523	2.8
327.12363	26.3
328.08887	0.7
328.12723	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	326.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
69.51464	6.1
72.00897	2.4
82.83706	0.9
93.03442	3.1
98.19903	1.9
100.00415	5.9
106.04221	1.8
107.05025	4.8
108.02156	1.0
117.03479	8.2
119.05029	100.0
120.04572	1.2
120.05334	1.8
121.02961	2.2
132.05782	2.3
133.05322	7.0
134.06125	36.0
135.04517	1.7
135.06425	1.1
136.07663	2.3
145.02954	31.6
146.03444	1.1
146.06128	23.4
147.04529	17.8
149.06050	1.6
162.05614	12.4
163.04021	12.4
167.04953	0.8
174.05576	12.6
176.07144	4.3
180.06635	6.0
182.72987	1.1
196.57565	0.9
206.04570	27.6
207.04880	1.3
212.41740	0.9
223.07532	1.2
240.10245	1.1
255.10242	1.2
268.07452	0.9
279.06558	1.2
282.11340	47.4
283.09406	1.9
283.11969	2.0
297.07669	5.1
311.09381	4.7
312.09958	4.0
326.10312	31.9
327.12738	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	326.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	8.6
60.01727	0.9
60.82206	1.0
61.98830	1.7
62.69634	1.0
69.40190	1.6
69.40598	5.3
71.01379	2.0
72.11989	1.0
86.89079	1.0
87.16819	0.8
93.03442	1.0
93.73119	1.0
107.03629	1.9
109.03006	0.9
121.02922	1.3
123.04512	1.1
134.04727	100.0
135.05154	1.1
136.01651	1.5
146.02484	11.4
149.02455	1.2
151.03983	1.2
162.05621	1.9
165.01897	1.2
165.05553	7.7
191.05611	2.5
211.06075	1.8
217.01396	1.4
222.93291	1.6
260.72528	1.0
266.08856	2.8
295.06204	0.9
309.03848	1.1
327.04996	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	327.0358
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	10.3
61.51185	1.9
67.01883	9.2
67.16585	2.4
68.99807	3.5
69.18008	21.7
71.01376	11.6
75.00845	6.7
79.05537	6.1
79.84936	2.3
81.03458	66.7
89.02451	2.6
93.03470	5.8
95.01379	7.2
99.00855	3.1
109.02946	8.3
115.00356	10.6
119.05025	7.3
121.02947	8.9
123.00946	3.2
123.04529	100.0
133.01433	9.3
133.02940	2.7
133.06453	2.5
134.02837	2.9
134.03743	7.0
135.04514	6.9
137.02432	9.4
139.03995	4.8
147.04561	3.6
149.02420	15.9
149.06030	6.5
150.03133	2.5
151.03984	6.4
151.38342	2.3
161.02444	9.9
163.00336	4.1
163.04004	4.2
164.98894	4.5
165.01923	30.1
165.04068	14.4
165.05562	21.7
165.69463	2.1
167.03508	23.3
170.90988	2.2
174.03215	2.4
176.01173	4.3
177.01878	14.9
189.01968	2.7
190.02705	2.3
202.99722	2.4
205.01297	2.5
211.02475	31.7
211.06111	8.7
217.01408	3.1
281.04495	4.1
283.06201	3.8
284.09360	3.9
309.04041	6.8
326.96875	2.3
327.04984	23.0
327.08340	3.3
327.21475	2.6
328.05249	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	325.2171
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
50.91114	0.5
59.01387	0.7
70.47209	0.8
70.47585	0.8
79.95796	1.4
119.04994	1.1
138.10168	0.5
149.09714	85.3
150.10043	3.8
163.11281	100.0
164.11612	5.6
164.86671	0.4
167.22211	0.4
170.00360	1.0
178.06633	0.5
183.01196	41.2
184.01941	6.0
192.74841	0.5
197.02805	2.5
197.19070	0.6
216.00996	2.5
239.07320	0.6
281.28342	1.9
325.06876	2.5
325.18079	84.7
325.21512	83.1
325.27225	17.0
326.18396	7.8
326.21863	7.8
326.27621	1.8
327.48907	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
60.78341	0.9
66.02677	0.8
70.02842	2.9
72.00922	4.3
93.03453	1.5
98.19988	1.0
100.00407	8.4
107.05030	3.4
117.03486	10.9
119.05029	100.0
120.05363	2.8
134.06160	1.2
135.04449	0.8
145.02950	47.2
146.03236	2.5
163.04015	18.8
164.04471	0.9
176.70500	0.8
180.06668	9.1
190.19350	0.7
206.04575	39.6
207.05005	1.6
234.75708	0.8
276.03967	0.8
282.11340	1.7
326.07135	1.6
326.10327	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67568	2.1
57.03448	7.3
57.98677	1.9
59.01380	13.0
71.01414	4.1
71.05029	12.4
71.35020	3.1
79.95732	2.2
83.05033	2.4
89.02483	2.8
97.02956	5.9
97.06594	21.7
99.00882	66.2
101.02467	2.4
116.31899	2.0
123.08157	8.9
125.09725	90.7
151.00314	3.3
163.06078	3.9
163.11279	11.3
179.50075	2.0
181.12361	16.9
183.01210	12.5
199.13388	14.6
200.68376	2.5
204.01563	2.7
207.10268	36.7
225.11314	100.0
226.11755	5.4
233.97794	2.1
243.12361	51.5
279.06345	2.5
325.07312	13.6
325.11060	4.4
325.20645	29.5
326.20514	4.4
329.32324	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2019
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
53.16191	1.8
55.01863	1.5
69.68509	7.8
71.01382	6.9
71.05019	1.5
80.02634	2.2
80.84263	1.3
83.05004	4.2
84.02164	3.4
85.02974	2.5
95.05015	2.7
97.06584	5.3
98.19896	2.2
99.04518	2.4
99.08146	2.4
109.06599	1.7
115.07644	2.0
119.03402	1.3
125.09761	6.9
127.07657	14.9
127.11315	1.4
131.73055	1.4
134.13281	1.3
135.08142	2.1
139.07683	2.2
153.09206	19.1
155.10765	2.5
163.11270	4.6
165.12831	3.3
171.10257	20.2
177.01888	2.2
178.02739	2.8
178.10001	4.1
185.11827	15.8
197.11836	20.7
198.12090	1.7
209.04662	1.4
209.11821	74.1
210.12160	4.0
238.12128	5.4
245.19092	3.1
255.61983	1.2
256.13101	5.2
263.20145	1.4
279.19370	1.6
289.18088	9.0
307.19141	100.0
308.19528	8.5
317.05161	1.3
325.20193	41.7
326.20386	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	325.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66447	1.6
57.03458	1.8
59.01379	9.3
66.58936	1.4
70.52975	2.3
70.53306	2.7
71.01375	4.7
79.95743	4.2
81.03467	1.7
83.05033	2.7
85.02952	2.8
97.06576	2.0
99.08132	2.6
101.02399	2.4
111.08164	2.7
115.07635	1.9
121.02911	2.1
125.09698	2.1
127.07629	7.1
134.49297	1.4
139.07678	2.0
151.00333	1.6
163.03804	1.9
163.11169	1.7
171.10249	4.8
178.10078	2.0
182.80011	1.5
183.01193	56.9
184.01833	2.3
185.11823	10.2
197.02757	6.3
197.11832	11.4
199.00548	1.6
199.13400	6.2
199.84659	1.6
201.11336	3.0
209.11821	30.5
216.00893	3.0
227.12883	24.0
229.14465	2.2
238.12070	2.2
256.13055	2.1
289.18076	3.2
307.19156	39.2
308.19498	3.7
310.06686	4.8
325.09299	14.4
325.14728	100.0
325.20114	21.4
326.15192	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	325.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78370	0.3
61.03826	0.3
69.74794	0.4
69.75193	1.3
74.73178	0.3
79.95762	1.0
119.05016	1.5
145.71388	0.3
168.41556	0.3
170.00429	2.0
170.15622	0.3
183.01202	51.0
184.01617	2.9
197.02806	1.1
216.01070	0.5
225.05888	0.7
239.07443	0.8
253.09074	0.4
267.10388	0.3
280.20950	0.3
295.96869	0.3
325.18405	100.0
326.18750	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66624	0.3
59.78563	0.3
66.58532	0.3
69.38919	2.1
79.95694	1.4
81.26007	0.3
98.20638	0.6
119.05016	1.4
123.06255	0.3
170.00414	1.7
183.01199	54.1
184.01862	3.8
197.02756	3.4
198.03534	0.6
198.54779	0.3
211.04341	0.3
216.00996	0.7
225.05890	0.8
239.07483	0.8
261.22186	0.4
325.18399	100.0
326.18750	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	325.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.6
58.00586	2.1
59.01382	13.1
69.03448	2.1
69.29488	5.6
69.29916	4.6
71.01373	5.7
71.05039	1.7
79.95737	2.6
85.02962	1.6
95.05017	1.2
97.02972	1.4
97.06588	9.6
101.02476	1.6
105.07090	1.1
109.06606	1.6
111.08160	11.3
119.05007	3.0
121.06594	1.8
123.08154	9.1
125.09719	10.3
127.07617	2.0
127.11287	2.7
133.06572	1.4
135.08138	3.4
139.07642	1.2
151.11261	1.6
153.09218	2.1
155.10754	3.0
155.35344	1.2
157.12390	1.3
157.58826	1.3
163.06100	1.6
163.11317	1.8
165.09256	1.2
167.10762	4.8
169.12288	1.9
170.00436	1.2
171.10262	22.9
179.10783	1.2
181.12306	1.4
183.01201	57.7
183.10208	3.3
183.13741	1.2
184.01672	2.4
185.11804	17.5
195.10391	1.7
197.02725	2.9
197.11829	14.7
199.09813	1.2
201.11316	27.1
202.11778	1.5
209.11801	2.1
210.85919	1.4
213.11320	8.6
216.00909	1.4
225.14842	1.8
237.14792	1.2
245.18993	3.3
249.18536	3.4
263.16571	1.5
263.20193	1.4
276.28497	1.2
281.17520	1.9
289.18045	5.2
307.12006	1.3
307.15384	1.4
307.18732	2.9
310.06631	4.6
325.09143	12.1
325.14752	100.0
325.20157	30.4
326.09314	1.7
326.14981	8.9
326.20755	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	325.1655
Annotation	Naematolin C
Peak:m/z	Relative Intensity
52.05855	1.5
57.03448	2.6
59.01379	42.8
66.59618	1.4
69.03445	3.1
71.01385	6.0
71.05016	1.9
72.99297	1.6
87.00872	3.0
95.05052	2.0
95.30262	1.6
96.96051	1.8
97.02948	1.6
97.06611	2.2
101.02438	3.1
104.29786	1.7
105.03473	10.0
107.05017	2.0
109.02950	3.4
113.02440	2.8
115.31896	1.3
121.02966	3.0
133.02986	6.7
137.02441	4.7
148.01636	2.3
149.02431	6.1
149.09698	1.8
150.03160	2.7
151.03934	1.4
154.91754	1.5
157.08670	2.1
169.00337	1.9
177.01929	21.0
177.16457	4.4
178.02721	14.9
179.03474	5.0
183.15411	1.3
193.15981	4.9
195.10251	2.0
197.11836	1.6
203.14363	2.1
209.04549	11.3
213.05579	1.7
219.13792	1.6
221.15454	92.1
222.15756	5.5
228.08089	1.6
231.63608	1.4
237.15001	9.0
239.16521	3.6
265.14410	31.9
266.14685	1.4
281.17493	2.1
283.15494	100.0
284.15762	8.0
297.11115	1.5
307.19131	1.9
325.07248	3.4
325.10855	2.1
325.16516	33.7
325.20206	10.1
326.17133	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	325.1293
Annotation	(+)-Macrosphelide C
Peak:m/z	Relative Intensity
55.30031	0.2
59.01378	1.2
68.99828	0.3
71.01360	0.8
71.51979	0.2
77.03971	0.3
79.05532	0.7
81.03451	2.4
83.01393	0.3
89.03973	0.7
93.03432	0.3
95.05020	0.9
97.06573	1.4
97.57130	0.2
101.02422	0.2
105.03451	5.8
107.05012	1.0
108.02176	2.6
109.02956	3.3
109.06587	0.3
111.00890	0.3
117.03497	0.3
119.05029	1.7
121.02930	1.2
122.03744	1.8
123.04526	39.7
124.01665	0.5
124.04883	1.3
125.02436	0.9
133.02954	4.2
134.03738	0.8
134.06105	0.7
135.04555	1.6
136.01614	0.5
136.05304	0.3
137.02446	6.6
137.06076	5.1
138.02782	0.2
145.02942	1.2
146.03754	0.3
146.06158	0.4
147.04527	0.8
148.01671	1.0
148.05287	0.3
149.02452	3.2
150.03246	2.4
151.04005	100.0
152.04726	5.0
153.05482	0.3
159.04585	0.4
161.02411	0.4
162.06830	1.9
163.04019	0.6
165.05580	0.6
172.05371	0.4
173.06049	0.8
175.07608	0.3
177.01929	12.3
177.09190	2.1
178.02713	10.4
179.03502	3.4
181.05022	0.4
187.07626	4.0
188.08028	0.2
195.02980	11.2
196.03754	9.7
196.05576	0.3
197.04393	1.0
201.05652	0.4
202.06358	1.9
206.04533	0.4
209.04524	4.3
209.06279	0.4
209.56441	0.2
213.09201	0.7
215.07138	0.4
216.07791	0.2
221.08160	0.4
224.04837	0.8
225.09143	0.2
231.10284	2.1
233.08160	0.5
237.05576	0.5
237.62764	0.2
238.06361	0.9
239.10837	0.3
241.08746	0.3
247.09856	0.3
249.11299	0.6
255.10277	0.7
263.09351	0.2
263.10355	0.3
263.12924	2.1
265.05078	0.3
266.05875	0.6
269.11801	0.3
270.05371	0.3
275.09290	1.7
281.08438	0.2
282.11441	0.5
283.09784	3.5
293.04843	0.3
293.10312	7.6
294.10666	0.5
298.12076	0.4
307.11938	1.1
310.08499	0.7
311.09268	5.8
325.12988	29.1
326.11774	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	325.0927
Annotation	4'-O-beta-D-Glucosyl-cis-p-coumarate
Peak:m/z	Relative Intensity
54.58450	0.6
59.01369	0.8
65.33833	0.6
66.25630	0.6
69.40013	3.9
71.01372	1.1
82.51339	0.6
93.03459	0.7
94.81015	0.6
98.19881	0.7
101.02422	0.8
109.84579	0.6
119.05025	100.0
120.05342	3.4
120.16742	0.6
163.04012	76.3
164.04359	2.7
228.81943	0.7
284.21222	0.6
304.38705	0.7
325.06943	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.108
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93535	0.4
59.01366	1.4
71.44776	0.4
71.52138	0.4
72.19473	0.3
73.02947	8.2
89.03954	0.8
93.03439	0.6
105.03464	10.5
106.03725	0.4
108.02159	0.7
109.02949	3.2
119.05042	5.0
119.79337	0.4
121.02965	2.3
122.03705	1.5
123.00896	1.0
133.02954	6.3
134.03751	0.5
136.01668	0.7
136.82271	0.4
137.02470	4.8
137.69170	0.5
145.02957	7.0
146.03729	0.9
147.04478	0.5
148.01668	2.1
149.02455	5.4
150.03241	3.0
151.04041	0.6
159.04514	2.7
163.03941	0.6
177.01941	22.2
178.02710	15.2
179.03502	5.4
179.07190	3.6
179.08627	0.8
195.08095	0.9
200.04753	0.9
203.07079	0.8
209.04517	10.3
209.06126	0.7
209.09605	2.1
210.05170	1.1
211.06113	0.5
219.08214	0.6
221.09763	0.6
223.07570	2.1
225.05611	0.8
226.06361	0.6
233.06059	1.2
234.06865	3.9
235.07529	1.8
237.05548	1.8
237.09203	3.1
238.06302	2.2
238.09698	0.7
241.04988	1.2
247.07678	3.2
248.08333	2.0
249.09203	3.2
250.06305	1.0
250.10083	0.6
251.07117	18.8
252.07780	3.1
253.05077	0.6
253.08641	0.7
255.06740	0.7
264.07935	0.8
265.08673	37.7
266.09399	10.2
275.09317	1.1
279.10175	0.9
280.07361	1.4
281.08188	0.6
281.11880	1.0
283.09421	0.6
292.07404	0.6
293.08191	5.1
297.11343	0.7
298.08371	1.0
307.09689	3.6
308.10461	1.0
310.08490	9.0
323.09097	0.7
325.10785	100.0
326.11127	8.1
327.38959	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42355	1.0
55.86306	1.0
59.01377	13.0
61.98843	0.9
64.58841	1.0
65.41499	0.9
70.65795	1.2
70.66125	1.9
71.01382	2.7
72.99309	2.3
81.27032	1.0
87.00876	9.4
89.03962	1.7
91.93807	0.9
94.47621	0.9
103.00365	3.7
112.98807	12.1
113.14607	1.1
117.03469	8.6
119.05028	100.0
120.05331	3.0
130.99847	1.1
134.03745	82.7
135.03058	1.1
135.04175	2.9
137.02397	1.6
149.00966	1.4
149.06071	8.7
163.04007	75.0
164.04332	1.3
178.02702	3.7
193.05046	97.7
194.05392	4.4
205.05196	1.0
237.05580	1.9
265.04959	2.2
266.05969	2.7
297.07559	1.5
325.03598	1.2
325.06912	4.8
325.14005	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2225
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
51.06627	0.5
59.01479	1.5
69.20531	5.1
90.52340	0.5
97.37054	0.5
116.80652	0.6
123.04691	0.7
137.06207	1.1
139.04138	0.6
155.54491	0.6
156.04425	0.6
162.10599	0.6
165.09372	1.1
165.13007	2.2
198.09007	0.7
217.16096	0.9
261.22244	3.9
261.76328	0.6
279.23401	1.0
305.21204	100.0
306.21545	9.5
323.16849	5.3
323.22220	19.4
324.22653	1.4
333.76666	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2227
Annotation	TOFA
Peak:m/z	Relative Intensity
55.51589	0.6
57.03444	1.0
58.43806	0.6
59.01374	5.8
69.20353	0.5
69.20645	5.0
71.01393	1.5
72.47491	0.6
77.32125	0.5
78.73763	0.5
79.95772	0.6
81.71267	0.5
85.02953	0.9
85.06599	1.5
106.94193	0.5
111.08195	0.7
113.02428	1.1
127.81308	0.5
151.11285	0.6
161.04568	0.8
171.10207	1.3
172.68434	0.5
178.97980	0.5
183.01173	1.5
193.16008	0.6
195.54495	0.5
196.69562	0.5
197.02777	1.6
205.12389	0.6
209.02785	1.3
210.03427	0.6
216.40791	0.5
220.14639	1.8
223.04361	1.4
237.05826	1.6
237.14935	5.9
251.07483	0.9
261.22211	7.5
265.09106	1.2
279.23282	34.6
280.23660	2.6
291.19601	0.9
305.21103	3.2
323.16827	32.1
323.22238	100.0
324.17102	2.7
324.22592	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1866
Annotation	Hynapene A
Peak:m/z	Relative Intensity
54.56052	5.5
57.03455	29.0
59.01386	100.0
69.03462	10.4
71.01398	33.3
71.05029	30.9
71.51891	7.7
80.96561	5.4
81.03475	6.4
83.01390	15.4
83.05035	22.2
84.02168	16.8
85.02950	19.4
87.00880	9.6
89.02431	11.7
89.21531	6.3
93.03473	6.8
95.05037	65.0
97.02937	6.8
97.06593	13.7
101.02447	8.9
101.06075	8.6
109.06574	13.6
111.04492	5.8
112.05286	7.2
113.02432	22.4
113.06081	54.7
121.02938	6.3
121.06551	7.1
123.08170	10.4
125.09698	15.9
135.08133	22.2
163.11275	12.2
165.12808	9.1
171.10239	12.5
177.12894	7.1
185.11832	13.8
189.12743	7.4
205.09906	6.0
209.11835	69.1
221.15488	6.9
231.13770	12.9
237.14951	81.0
243.17509	9.6
247.13446	8.0
249.14876	9.9
265.14600	12.3
271.82751	6.2
276.75555	6.0
279.15875	5.8
287.16537	41.4
305.17563	46.8
323.09717	8.6
323.18677	54.0
323.22174	10.5
324.18744	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	323.1864
Annotation	Hynapene A
Peak:m/z	Relative Intensity
57.03439	18.6
59.01382	68.4
71.01378	19.8
71.05016	19.1
73.59892	4.8
81.03442	8.0
83.01385	12.2
83.05014	21.2
84.02186	6.2
85.02955	14.7
89.02443	12.5
95.05033	36.5
97.06594	14.1
99.04537	5.6
101.02446	14.5
101.06076	12.0
109.02953	6.7
109.06578	12.8
111.04510	7.7
113.02454	14.8
113.06095	29.2
117.89199	4.5
123.04482	4.9
123.08171	10.3
125.09738	20.6
133.06676	4.6
135.08139	17.0
140.38487	4.9
151.11235	7.3
161.04556	8.5
163.11272	12.4
165.12788	11.3
177.12814	8.6
179.10654	6.6
181.12337	10.8
185.11855	13.1
191.10789	10.0
203.14349	5.6
209.11824	100.0
211.13414	11.0
237.12764	8.6
237.14932	72.6
243.17545	6.4
250.26819	4.6
265.14371	16.4
279.19662	6.4
282.95624	5.2
287.16541	38.4
305.17612	54.3
323.18634	47.1
324.19446	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	323.1862
Annotation	Hynapene A
Peak:m/z	Relative Intensity
52.85804	1.0
55.70048	1.0
57.03426	1.6
59.01382	12.2
68.84770	0.9
69.03445	1.1
70.85705	1.9
70.86024	1.2
71.01369	3.2
71.04996	2.0
79.05515	1.2
80.02665	2.7
81.03464	3.3
83.05016	8.8
84.02181	1.3
85.02917	1.7
87.00884	1.5
89.02433	1.2
95.05023	2.2
96.96004	2.5
97.02955	1.6
97.06578	3.0
99.04525	1.6
101.02395	1.2
107.05039	11.2
109.02943	1.3
109.06567	3.8
110.03711	2.3
111.91537	1.0
113.06068	1.7
121.02955	1.9
123.04530	2.0
123.08149	2.1
124.72227	1.2
125.02431	3.4
125.06065	3.3
125.09710	9.8
135.08125	4.3
147.11894	1.3
153.09216	17.4
161.04533	2.3
163.11319	8.4
165.12816	5.2
176.08432	3.1
178.09918	3.7
181.12279	2.7
185.11824	4.0
191.10768	1.9
197.11781	11.8
198.12250	1.3
207.10304	8.2
207.13841	1.9
209.11821	100.0
210.12105	4.8
216.88780	1.1
225.11324	7.3
236.10468	3.6
243.17535	2.4
245.15332	2.7
253.10866	1.4
254.11604	1.6
258.59686	1.2
261.18597	5.7
261.22156	2.1
263.16467	1.2
277.18030	3.1
279.19565	3.5
287.16608	10.3
302.08386	1.2
305.17514	85.9
305.21185	61.7
306.17841	5.8
306.21600	5.0
323.18500	13.1
323.22244	17.7
323.98270	1.2
324.18939	1.5
324.22498	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15567	1.3
55.01878	1.9
56.55587	1.2
57.03438	1.4
57.86445	1.2
58.00582	3.9
59.01379	100.0
71.01382	50.6
71.01780	2.5
71.09154	2.8
72.99317	2.2
75.89061	1.2
83.01401	1.7
85.02952	9.3
87.00874	2.4
89.02444	56.3
95.01369	3.3
99.08160	1.4
101.02444	30.5
104.33373	1.4
113.02451	18.9
119.03498	25.0
131.03473	1.6
143.03516	2.7
149.04549	1.6
157.33992	1.3
161.04539	1.4
179.05640	4.1
323.13464	93.5
324.13693	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	323.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98957	1.4
52.40431	1.4
58.00598	4.4
59.01381	100.0
71.01387	52.8
71.01781	2.7
71.20824	2.0
71.21182	1.1
72.99298	5.0
73.02914	1.4
83.01406	1.8
85.02939	9.7
87.00891	1.8
89.02450	61.6
95.01383	5.0
101.02447	32.2
113.02460	22.1
118.47202	1.6
119.03498	26.5
131.03513	2.2
143.03542	3.4
147.99680	1.3
149.04570	1.4
158.84070	1.5
175.52841	1.4
179.05630	3.2
204.22479	1.4
323.13467	99.7
324.13721	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	323.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	4.1
57.03434	3.8
59.01379	36.5
70.02527	3.5
71.01382	100.0
72.01728	1.9
72.99309	2.0
73.02946	18.7
73.62138	1.0
83.01383	7.3
85.02950	32.7
86.00083	4.9
87.00880	11.7
87.04499	2.7
89.02446	12.0
95.01384	4.4
96.96004	1.5
97.02967	1.8
99.00873	7.6
101.02441	45.1
101.06075	1.5
113.02448	23.2
119.03497	2.7
124.26331	1.0
129.01939	2.3
129.05583	4.7
133.01454	2.6
143.03471	2.7
147.06633	48.3
159.02997	7.7
161.04552	41.0
162.04837	1.7
163.03850	1.0
173.08194	13.8
190.02214	1.1
201.07675	2.5
202.37718	0.9
212.20369	0.9
256.02280	0.9
263.11340	24.4
264.11826	1.3
291.10858	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	323.0922
Annotation	7-Acetoxy-2'-methoxy-8-methylisoflavone
Peak:m/z	Relative Intensity
59.01373	4.4
71.01376	1.3
71.53175	1.6
73.73526	0.9
96.95972	1.3
97.06602	2.0
100.64311	0.9
103.73252	0.8
105.03531	1.0
109.02943	1.4
115.86790	0.9
117.03474	3.1
119.05031	8.4
121.02950	2.0
133.02924	1.6
135.04529	2.1
137.02475	1.0
145.02948	10.3
149.02380	1.9
151.04060	1.0
159.04478	1.8
161.02316	1.1
163.03995	2.0
165.01898	5.3
177.01883	2.6
177.05550	3.8
179.03403	1.1
193.06567	1.0
195.08154	0.9
207.08141	6.6
208.03757	2.1
208.08902	14.8
209.04530	1.3
209.09206	1.0
211.07571	2.3
217.06485	2.0
219.08192	5.1
226.68820	1.0
235.07634	18.6
236.08412	7.5
238.04732	1.8
245.06113	2.8
246.06918	2.2
247.07617	19.0
248.04723	1.2
248.08391	15.7
249.09181	9.6
251.07124	2.9
252.07890	10.2
263.07120	33.9
264.07892	70.0
265.08151	4.7
267.06656	4.8
279.06964	5.3
279.10239	4.8
280.07382	13.6
291.06625	8.0
292.07404	20.8
293.08176	8.1
295.06238	1.0
305.08069	1.9
307.06085	26.3
308.06882	94.1
309.07190	7.8
323.09213	100.0
324.09552	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	323.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	3.8
69.26205	9.6
71.01370	1.3
75.61931	0.9
85.45882	0.8
98.19904	1.7
100.13893	1.0
100.67129	0.9
105.03477	1.1
108.02130	2.1
109.02950	2.0
117.03466	2.9
119.05018	5.6
120.38471	1.0
121.02953	2.1
135.04489	1.6
137.02480	1.2
144.33038	1.0
145.02960	13.8
149.02446	1.7
156.05792	1.6
159.04491	3.9
161.04602	1.2
162.03247	1.4
163.03986	1.2
165.01968	5.9
174.04338	1.1
177.01898	1.2
177.05554	13.8
183.29633	1.1
193.06564	1.0
207.08232	6.7
208.03629	1.4
208.08954	8.6
211.07602	1.1
217.06552	4.2
218.07321	1.8
219.08153	4.2
221.06090	1.8
235.07645	15.0
236.08342	6.6
238.04755	2.2
245.06003	3.6
246.06830	4.5
247.07654	15.3
247.09961	1.2
248.04674	2.3
248.08368	10.0
249.05562	1.8
249.09099	6.3
252.07896	7.2
253.08583	1.6
257.80841	0.9
261.05615	1.6
261.08984	1.0
262.06360	1.5
263.07123	38.8
264.07883	61.3
265.08212	4.0
267.06610	2.0
277.08640	3.0
279.06680	3.2
279.10257	7.9
280.07437	8.4
281.07928	1.0
291.06454	5.2
292.07358	15.6
293.08023	5.2
305.07999	9.0
307.06119	15.8
308.06897	58.3
309.07248	4.0
321.07425	1.4
322.07947	1.1
323.09195	100.0
324.09467	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	321.2068
Annotation	Rapanone
Peak:m/z	Relative Intensity
50.31983	0.9
56.12573	1.1
57.36994	1.1
59.01380	100.0
67.97360	0.9
71.01378	1.1
71.51855	1.0
71.52313	1.6
73.04321	1.1
74.89016	0.9
75.00894	1.2
89.43869	1.0
107.17900	1.2
131.77675	1.0
132.29552	1.3
135.04498	3.8
135.57610	1.1
149.78374	1.2
179.13191	1.0
321.15100	5.8
321.20679	53.1
322.21103	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	321.2436
Annotation	(3R,4R,7R,8R,12R)-ent-3,4:7,8-Diepoxyverticillan-12-ol
Peak:m/z	Relative Intensity
54.62554	3.5
56.81560	3.6
57.03430	4.7
57.54086	3.8
59.01386	24.1
69.17662	38.4
71.01376	4.3
78.95908	47.9
80.96519	85.5
84.56622	4.0
84.72703	3.8
113.09760	5.0
124.14131	4.3
135.04512	13.0
170.14650	4.4
209.09587	5.6
221.13284	5.5
221.15451	85.2
268.17117	3.7
270.78995	4.1
277.21506	3.8
303.23279	86.9
304.23688	13.0
321.17310	13.0
321.24573	100.0
322.24622	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	322.2023
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
51.83818	0.2
58.02977	1.8
59.01380	1.6
60.14681	0.2
67.65166	0.2
70.08955	0.4
70.09351	0.4
71.01394	0.6
81.03454	0.5
87.00892	0.3
95.05019	0.9
96.96022	0.3
97.06589	0.6
98.20055	0.3
101.02493	0.3
109.06612	0.6
113.02430	0.4
128.10815	7.6
130.08739	100.0
131.09082	2.4
131.93178	0.2
136.04855	0.3
149.09700	0.2
163.92328	0.2
165.12825	0.9
171.10239	0.3
172.09747	0.6
322.20218	32.8
323.20602	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	321.2068
Annotation	3alpha-Hydroxyayapanonic acid
Peak:m/z	Relative Intensity
50.59516	0.5
55.01888	0.7
57.03448	19.8
57.90651	0.6
59.01377	7.7
69.03458	1.3
69.48555	4.3
71.05024	11.0
79.95747	1.8
90.29929	0.5
98.20591	1.1
101.02418	0.6
109.06631	0.7
127.07645	0.7
135.04552	2.2
142.01732	0.6
165.12790	0.6
182.19017	0.6
205.15956	28.6
206.16273	1.6
207.17476	4.3
219.17490	5.4
233.19020	1.0
246.87527	0.6
247.16823	0.7
259.20651	46.1
260.20996	4.0
277.21704	8.9
303.19742	3.7
321.20697	100.0
322.21085	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	20.6
67.24707	1.7
69.19202	18.3
71.01392	9.3
73.02955	5.9
82.03008	1.9
82.21308	1.8
83.01406	1.8
84.04556	3.9
85.02952	1.8
89.02470	2.5
96.96022	2.9
97.06597	1.7
99.04533	4.8
99.05595	2.1
101.02454	7.3
101.07182	4.0
109.04076	5.7
113.02470	1.9
121.02900	1.6
125.03613	2.6
127.05139	85.6
128.03542	56.5
128.05533	3.1
129.03891	1.8
132.02159	9.2
134.03740	92.7
135.04529	4.9
145.06194	82.8
146.06509	2.8
147.04576	1.9
148.05310	9.3
149.06075	76.5
150.06383	2.9
156.99434	2.3
160.01656	47.0
161.02301	2.5
163.39374	1.8
171.04117	21.3
175.04004	100.0
176.04358	2.8
177.02013	2.6
190.05101	4.5
192.06624	2.2
194.08250	3.4
204.06685	9.7
244.08444	1.8
259.09778	3.4
261.08820	9.0
262.09442	5.0
277.12024	7.9
279.12006	1.9
303.09955	9.1
321.04190	2.8
321.10907	53.9
322.11166	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	321.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10881	0.7
55.94241	0.8
59.09046	0.8
70.83595	1.4
71.01385	1.5
79.65936	0.7
89.51685	0.7
91.05542	3.0
97.06577	0.9
101.62704	0.7
107.05031	10.3
108.02171	1.8
111.65773	0.7
121.02971	1.6
122.03701	1.3
123.36769	0.8
124.01656	3.5
125.02496	1.3
134.03726	2.4
135.04530	100.0
136.04951	2.6
150.03236	2.6
151.04041	7.3
162.03314	1.2
180.04285	1.3
277.10629	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74611	0.7
52.54882	0.7
69.33878	5.6
91.05517	4.7
93.03450	1.2
94.84422	0.8
97.06576	1.8
107.05019	13.0
108.02155	8.6
109.02969	0.9
121.02963	2.1
122.03707	1.0
124.01652	2.9
125.02390	1.0
134.03694	1.1
135.04523	100.0
136.04875	2.3
139.29814	0.8
150.03181	1.6
151.04012	6.4
162.03172	1.5
180.04306	0.9
181.05023	1.3
208.43964	0.8
277.10928	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.6
61.89692	0.6
66.93980	0.7
69.54929	5.3
75.33342	0.6
91.05521	4.7
93.03436	1.3
97.06577	1.4
104.17985	0.6
107.05026	15.0
108.02173	8.6
109.02998	0.9
114.10393	0.9
118.82813	0.7
121.02941	1.6
124.01656	3.9
124.63955	0.7
125.02393	1.1
127.47930	0.7
134.03694	1.6
135.04526	100.0
136.05109	1.7
136.05342	1.6
139.65396	0.7
150.03259	1.2
151.04010	5.7
157.40930	0.7
161.02496	0.7
162.03207	0.8
170.44926	0.8
173.31378	0.7
180.04271	0.9
181.05031	1.6
195.21309	0.8
212.22411	0.8
217.98511	0.7
282.56390	0.8
334.27573	0.7
339.94009	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	24.5
70.64374	2.6
70.64680	5.4
77.12721	2.5
85.02973	4.0
89.12528	2.3
89.24679	2.4
93.48183	2.2
97.06592	10.6
135.04526	60.1
136.04881	3.7
139.95605	3.1
148.05296	10.3
151.07544	3.7
159.04498	9.2
161.06075	8.3
173.06120	3.1
175.04007	2.7
175.07642	2.9
176.04794	7.7
177.09200	22.2
179.03499	4.1
179.05013	2.5
185.06053	5.3
186.06804	2.5
187.07629	15.1
188.04765	4.6
189.09193	28.4
199.07681	2.9
204.07851	12.8
205.08655	12.0
215.10782	24.9
217.08716	5.7
233.11829	47.7
234.12241	3.9
245.04340	2.7
259.09610	2.5
277.10800	100.0
278.11118	10.4
315.47131	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	321.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03830	0.7
70.83722	1.6
71.01360	0.8
91.05525	4.1
99.27762	0.7
103.00591	0.6
107.05029	12.9
108.02182	1.7
121.02949	2.0
122.03750	1.3
124.01652	4.6
125.02435	1.3
134.03738	2.5
134.69031	0.7
135.04529	100.0
136.04976	2.2
150.03204	2.8
151.04001	8.2
162.03206	0.9
179.03453	1.4
180.04294	1.0
200.94972	0.8
277.10773	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2277
Annotation	8(R)-HETE
Peak:m/z	Relative Intensity
54.75161	2.6
55.02589	3.0
57.03428	4.4
59.01379	35.7
69.03454	81.0
69.35610	12.6
69.36039	15.2
69.64256	3.0
79.86876	3.2
91.71407	3.2
109.06588	5.1
111.08177	7.7
116.05145	2.9
123.08153	25.2
127.07642	24.4
127.11308	8.2
139.07622	6.0
155.07133	26.1
163.14899	14.2
167.07123	19.2
179.14334	14.8
190.19341	3.2
203.18034	6.7
218.70100	3.6
257.22708	23.2
275.23779	7.1
301.21762	25.0
319.02863	4.9
319.22754	100.0
320.22861	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	321.098
Annotation	Luisol A
Peak:m/z	Relative Intensity
59.01381	19.9
60.72536	2.4
65.25024	2.7
65.76192	2.4
71.01398	12.8
71.52121	3.8
72.08706	2.5
73.02946	5.4
79.95731	5.2
80.96526	4.0
82.02978	3.3
89.02429	3.5
96.96004	21.7
99.00910	2.8
101.02449	6.3
110.35912	2.5
111.00916	2.8
115.00381	3.2
117.05598	3.0
127.05145	18.0
128.03522	14.2
133.02930	3.2
134.03743	100.0
135.04407	8.5
145.06181	11.8
148.05318	19.8
149.06073	97.5
153.03084	5.4
160.01634	6.9
161.02379	4.9
161.06085	4.0
171.04080	13.4
172.05296	22.3
175.02733	4.6
175.04007	33.9
177.01904	9.4
179.06039	2.8
185.06036	6.7
187.03954	5.7
190.05069	7.8
192.06601	8.8
203.03514	4.6
204.04285	7.6
204.06633	17.6
213.09134	7.7
215.10710	18.6
218.08049	2.6
220.00079	4.3
229.05031	7.2
233.08325	5.9
244.08411	2.7
257.08215	8.3
259.09674	64.4
260.09995	4.4
261.08786	19.8
262.09439	11.2
277.11652	8.9
303.09720	11.5
320.93359	3.7
321.10556	65.8
322.11163	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2277
Annotation	15-Hete
Peak:m/z	Relative Intensity
57.03435	4.0
59.01107	2.5
59.01381	34.7
59.21611	1.5
69.03439	2.6
79.27151	1.5
83.05013	2.1
85.95180	1.5
99.08140	6.3
100.44966	1.6
107.08644	2.6
113.09728	25.2
117.07092	1.7
119.08650	2.2
121.10241	16.4
129.71901	1.9
139.11269	3.6
147.11797	3.4
149.13348	4.1
163.07608	2.9
163.53343	1.5
165.15933	1.8
173.13409	1.9
175.13509	2.9
175.14923	33.8
176.15166	2.4
193.12334	2.5
203.18095	8.9
207.13797	4.4
218.91214	1.8
219.13882	51.4
220.14259	3.4
221.15504	2.5
223.36508	1.8
257.22729	39.8
257.25449	2.2
258.23044	4.1
261.04977	1.7
275.23703	7.1
291.23141	2.5
301.21735	51.3
301.25201	2.5
302.22058	3.2
319.22772	100.0
320.23093	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	319.2277
Annotation	(plusmn)11-HETE
Peak:m/z	Relative Intensity
52.72700	0.5
55.15709	0.6
57.03444	1.8
59.01381	9.7
69.03455	1.2
69.37844	1.4
69.38249	2.8
71.01389	0.6
71.05019	0.8
83.04996	0.7
83.27277	0.6
97.06618	0.6
149.09706	6.8
167.10771	100.0
168.11089	3.8
195.10194	1.4
257.22769	1.9
275.23752	3.6
291.23404	1.0
301.21707	6.2
307.68536	0.6
319.22760	50.8
320.23044	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	319.2278
Annotation	(plusmn)12-HETE
Peak:m/z	Relative Intensity
57.03448	2.9
59.01385	24.6
69.03448	6.8
69.91022	1.6
77.54029	1.6
83.05041	1.8
88.80949	1.8
96.11279	1.8
107.08667	7.2
135.11829	9.2
139.11282	6.0
163.11295	10.6
179.10776	62.1
180.11148	3.5
186.42270	1.7
203.18042	6.0
207.10245	6.1
208.10945	4.6
240.10022	3.8
257.22742	25.6
258.22903	2.0
270.10913	1.9
275.23865	5.2
301.21741	28.1
302.21991	2.8
319.22766	100.0
320.23135	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	319.2275
Annotation	19S-HETE
Peak:m/z	Relative Intensity
57.03448	5.6
59.01378	1.0
60.00300	0.3
61.98824	0.4
63.10625	0.3
69.03451	0.7
69.48577	1.9
71.01392	0.3
71.05014	1.0
89.02415	0.4
90.93296	0.3
92.48646	0.2
96.96049	0.3
98.20671	0.6
99.04539	0.7
109.06596	0.3
123.08138	0.4
124.01624	0.4
134.03709	0.5
135.04510	1.2
137.02406	0.9
137.09734	0.5
144.17226	0.3
145.20724	0.3
158.02611	0.3
167.55702	0.3
179.03526	1.4
179.04807	0.3
202.99821	0.3
230.09242	0.3
257.19095	0.5
259.20642	1.3
275.16562	0.3
319.22757	100.0
320.23102	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	319.1548
Annotation	Botryomaman
Peak:m/z	Relative Intensity
56.51800	0.7
57.46028	0.7
59.01379	15.5
71.01361	1.2
71.52435	1.0
71.52812	0.8
79.95737	0.8
85.02938	2.3
91.05518	1.6
96.96057	0.9
104.02686	1.1
107.05055	3.8
109.02962	0.8
118.04242	1.9
120.46642	0.7
122.03728	1.1
130.04216	0.8
134.03722	2.4
135.04524	86.4
136.04846	2.5
137.05949	0.8
137.12988	1.0
139.11281	11.5
145.02876	0.9
146.03723	2.6
147.04489	3.2
148.05270	5.3
149.05968	0.9
151.03929	1.1
157.06598	1.0
158.03697	4.8
159.04514	12.1
160.05215	0.9
161.06076	12.8
162.03201	2.3
162.06664	0.9
172.05258	3.2
173.06058	1.6
174.03183	1.3
174.06836	1.2
175.03976	3.3
175.07622	4.3
176.04779	7.8
176.08351	1.6
176.92130	0.9
177.12802	0.9
179.03441	3.5
179.98399	0.9
185.06061	4.9
186.06822	3.9
187.03920	1.0
188.04776	4.0
189.05513	6.7
189.09103	0.9
189.12837	1.2
190.02657	5.7
191.10747	1.5
191.14363	1.5
193.12300	2.1
203.07126	3.1
203.10730	1.8
203.14340	2.1
204.07875	4.7
205.12325	1.2
213.12871	1.0
215.10774	4.6
216.11545	1.3
217.12349	2.6
217.78329	0.8
218.02252	1.7
219.13873	17.7
220.00011	1.2
220.14096	1.0
221.00517	1.4
222.00981	1.5
227.14250	0.8
229.12303	16.2
229.15924	1.7
230.12567	1.8
231.13908	17.7
232.14241	1.0
239.14357	1.6
241.12315	2.5
245.11700	1.4
245.15433	1.3
246.12534	2.1
247.09697	3.1
247.13390	14.1
247.15996	1.2
247.17122	1.9
248.06860	1.7
257.12732	1.2
257.15469	22.3
258.15863	1.2
259.13345	5.1
275.09375	6.7
275.16498	41.8
276.16794	3.6
301.14435	2.1
319.08243	10.1
319.15488	100.0
320.08545	0.8
320.15863	8.2
331.69983	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.8
60.58995	0.6
61.38114	0.5
62.63365	0.5
69.24980	5.0
71.01363	0.6
71.38654	0.4
72.65715	0.5
85.02919	0.7
85.94785	0.5
102.04802	0.5
107.05047	1.3
111.08170	0.6
118.04253	15.5
123.20688	0.6
124.01732	0.6
132.02165	3.0
134.03754	3.5
135.03493	1.2
135.04523	22.9
136.04788	0.5
137.02435	1.2
139.11296	3.1
145.02907	1.3
146.03729	1.7
147.04567	1.0
147.11765	0.6
148.05299	0.8
158.03699	0.9
159.04449	2.7
159.11777	2.1
161.02367	0.7
161.06036	3.7
162.03215	18.5
163.03745	0.6
172.05365	0.6
173.02464	0.8
173.05966	0.6
174.03215	1.4
174.06793	0.6
175.03975	1.0
175.07645	0.7
175.11333	3.6
176.04810	2.4
179.03519	0.9
185.06012	0.9
186.06865	1.2
188.04814	0.8
189.05548	1.4
190.02708	50.3
190.84453	0.5
191.03062	2.7
193.12366	0.9
203.03500	4.6
203.10779	7.4
204.07878	1.5
205.08548	0.7
215.10735	1.2
217.12369	0.7
218.02194	23.6
219.02744	2.1
219.13876	4.7
222.01724	13.5
223.02049	0.7
229.08795	0.8
229.12338	3.8
231.10243	1.5
231.13898	3.4
244.33427	0.6
246.12630	0.6
247.09735	24.6
247.13432	3.0
247.16661	0.7
248.10062	1.8
257.08170	4.5
257.15460	5.8
259.13428	1.3
275.09244	57.0
275.16443	10.8
276.09595	4.0
276.16806	0.8
310.23566	0.5
319.08212	100.0
319.15466	21.2
320.08527	6.1
320.15894	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
69.27884	2.9
69.28304	1.3
83.06168	0.8
91.01102	0.5
101.02434	0.5
104.02661	0.6
118.04253	10.1
134.03732	2.8
135.04527	1.7
146.03653	0.6
146.20508	0.5
148.01669	2.4
161.02402	1.4
162.03215	10.7
174.03183	1.1
175.11325	1.2
176.01161	13.2
177.01846	0.6
189.01924	9.8
190.02715	57.9
191.03149	3.2
203.03488	1.5
205.01433	1.7
217.08702	0.6
218.02180	4.5
219.10268	0.6
219.13919	0.7
222.01692	5.5
229.08667	1.2
234.01694	2.1
247.09741	59.3
248.10228	2.5
257.08218	2.2
262.34705	0.5
275.09262	13.1
275.16629	0.7
276.09595	0.8
291.08835	1.9
319.08206	100.0
319.15668	2.2
320.08527	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	317.2121
Annotation	12(S)-HEPE
Peak:m/z	Relative Intensity
57.03452	21.2
57.11571	1.0
59.01378	8.3
59.97826	1.0
60.42654	0.9
65.62356	0.9
65.70790	1.0
69.16855	3.3
69.17273	7.0
83.05013	1.0
85.06612	1.8
93.07101	3.3
97.06599	5.9
107.08714	5.2
113.09733	100.0
114.10056	2.8
118.91074	1.1
119.08658	1.2
121.10228	5.2
133.10255	1.4
139.11296	29.1
140.11632	1.6
147.11800	9.8
151.11284	1.4
153.12915	1.4
159.11786	1.6
163.11273	1.7
165.12871	12.2
165.14175	1.6
172.40701	1.0
175.14928	2.3
191.10765	2.5
191.14438	2.9
203.10779	3.4
207.88326	1.1
219.13899	5.4
243.00046	1.0
245.19186	1.6
273.22244	33.3
274.22607	2.6
299.20078	2.2
317.21219	60.2
318.21494	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85428	2.5
54.45253	3.2
57.03434	6.4
59.01382	32.4
69.03452	7.0
70.93193	5.7
74.63457	2.8
83.05031	3.3
85.62542	2.5
85.84279	2.5
107.08684	7.0
113.12501	2.8
113.60600	2.5
114.15949	3.0
121.10227	3.5
133.10164	2.8
135.04478	5.0
135.11797	17.5
137.09665	7.4
155.07175	6.0
161.09662	3.1
161.13316	6.3
163.07669	4.9
163.11305	10.3
163.13080	2.7
163.14848	3.1
179.10768	77.5
180.11369	3.4
185.12378	2.8
201.16504	9.2
207.10269	20.3
208.11050	5.8
209.40570	3.1
220.30249	3.4
240.10039	5.2
255.21120	30.1
256.21609	4.2
273.22336	7.6
299.20154	21.7
316.98730	4.0
317.21207	100.0
318.21588	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.212
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	25.7
59.39455	3.3
69.03441	5.1
69.97264	3.5
70.93561	6.1
70.93896	5.5
72.12998	5.3
97.06551	5.7
107.08688	6.0
111.08167	5.8
113.09722	8.1
121.06595	7.9
121.10210	15.0
128.22900	3.5
134.03665	4.1
147.11803	9.2
149.13251	4.0
163.14948	7.1
173.13322	4.2
175.14981	29.0
186.36380	3.9
201.16409	9.2
203.14375	11.9
219.13916	58.4
221.15453	5.6
247.13359	14.0
248.14073	13.0
255.21167	39.0
255.99294	3.8
273.22250	11.8
299.20145	28.9
300.45511	3.7
302.96112	3.4
317.06436	6.9
317.21225	100.0
318.14746	5.4
318.21463	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	317.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	6.4
57.03444	3.7
58.00578	0.7
59.01380	22.0
67.03010	5.3
71.01381	72.4
72.67044	0.6
72.99306	1.0
73.02946	22.9
75.00869	1.0
76.48903	0.7
81.03483	1.1
83.01390	10.1
83.06151	100.0
83.27994	0.6
84.06479	1.0
85.02950	32.5
86.03268	0.7
87.00877	2.2
89.02458	3.2
95.01376	4.6
97.02977	1.4
98.19884	2.2
99.00878	9.9
101.02444	44.3
102.02795	0.8
104.02674	7.2
113.02448	29.3
125.02438	1.5
127.82701	0.7
129.01947	1.3
142.08746	0.8
143.03520	2.4
148.01663	4.1
155.11902	1.7
159.02968	6.4
161.04553	20.6
176.01131	2.0
192.45587	0.7
220.00099	16.1
221.00345	0.8
233.10280	1.4
243.13930	1.2
245.08176	0.7
255.13882	0.7
273.14975	0.7
289.06778	0.7
301.98285	0.6
317.06635	1.0
317.17184	2.7
322.20425	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1391
Annotation	Zearalenone
Peak:m/z	Relative Intensity
51.83286	0.3
59.01384	0.5
61.98841	0.4
70.03262	1.2
82.63152	0.3
86.69919	0.3
98.19952	0.5
105.03439	0.6
106.04269	2.0
121.02929	0.6
122.02528	0.4
133.02943	3.3
134.03741	100.0
135.04257	2.5
135.04572	2.7
137.02438	2.2
139.04050	0.5
139.11290	4.3
145.02956	7.3
149.02432	4.1
150.01964	0.5
150.03188	0.4
160.80183	0.3
161.02440	23.8
162.03223	83.2
163.03545	3.3
177.01944	1.0
178.01373	0.5
178.02724	1.7
194.02199	1.1
203.03470	0.3
216.04253	0.4
220.00056	0.5
229.12512	0.4
237.39171	0.3
273.11386	0.7
273.14944	1.0
278.65482	0.4
303.14667	2.1
310.11743	0.3
317.13922	76.8
317.21140	2.8
318.14041	6.2
318.17767	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1393
Annotation	Pestalotiopsone C
Peak:m/z	Relative Intensity
50.26626	0.4
57.03452	1.1
59.01368	2.1
69.03465	0.5
71.01369	2.1
71.05040	0.6
73.02957	1.1
77.03947	3.0
79.95729	1.2
81.03463	0.7
83.01368	0.6
83.05028	0.5
85.02958	1.5
89.03979	6.9
93.03436	0.8
95.01386	0.6
95.05035	3.8
96.96011	7.9
101.02446	2.0
104.96479	0.4
105.03462	25.8
106.03722	0.6
107.05042	0.7
108.02178	1.8
109.02956	4.6
113.02462	0.6
117.03455	8.2
119.05037	0.8
121.02958	6.4
122.03715	1.1
123.04527	2.3
132.02173	1.2
133.02960	27.3
134.03743	97.9
135.04539	47.4
136.01665	1.5
136.04872	1.5
137.02432	3.5
137.70924	0.4
139.03987	0.7
139.11285	7.1
143.05022	0.6
145.02908	1.1
145.06555	0.7
147.00891	0.8
148.01648	5.2
149.02441	10.7
150.03181	1.3
155.10780	0.6
158.22910	0.4
159.04482	0.5
161.02440	4.6
162.03233	8.9
162.04587	0.6
163.04028	2.9
166.64923	0.4
171.04517	0.4
172.05240	0.7
173.06050	1.2
175.03970	1.0
177.01926	23.0
178.02699	9.0
189.05548	0.5
216.04300	0.5
217.04988	0.6
229.12352	1.2
229.29129	0.5
245.11690	0.9
245.15598	0.6
247.13396	1.0
257.11838	0.5
273.14957	36.0
274.15341	2.5
275.12793	0.8
289.14511	0.7
299.19992	0.8
317.13928	100.0
317.21109	12.3
318.14276	8.1
318.21570	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0664
Annotation	Dexbrompheniramine
Peak:m/z	Relative Intensity
51.73685	0.4
52.78369	0.5
69.87888	2.5
89.03986	2.5
89.88106	0.5
104.02696	3.2
104.03258	0.5
117.03438	0.9
118.04237	2.0
130.04234	1.0
132.02180	0.8
148.01677	5.7
158.03687	0.6
160.01691	1.9
161.02443	8.6
162.03181	1.8
162.69051	0.6
173.02432	2.2
173.09697	1.3
174.03207	5.5
176.01144	12.0
177.01834	0.5
187.03957	1.6
188.04765	1.5
189.01930	5.0
190.02704	15.3
191.03255	0.9
192.00702	0.7
198.03273	0.9
199.03964	0.6
201.01923	25.7
202.02701	10.7
202.76286	0.5
203.07149	1.3
205.01422	0.8
211.04013	0.9
214.02678	0.6
215.03494	20.3
216.00722	8.7
216.04216	13.8
217.04630	0.7
217.08676	1.4
220.00101	7.9
222.01663	1.4
227.07082	1.0
229.05130	2.7
229.08672	0.6
244.07301	1.1
245.08167	70.9
246.08551	5.0
273.07654	14.5
273.14905	0.8
274.08069	1.2
289.07285	4.5
317.06631	100.0
318.06946	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	317.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
65.30116	0.4
65.43897	0.4
69.58542	2.7
98.09995	0.4
104.02683	32.9
105.03004	1.1
108.57008	0.4
110.07246	0.4
120.02163	3.2
123.00882	0.9
139.59779	0.4
147.00797	0.4
148.01660	24.7
149.01971	0.7
155.10779	4.5
172.48172	0.4
174.03191	0.8
176.01154	10.0
192.00624	5.0
210.44899	0.5
217.21263	0.4
220.00114	100.0
221.00514	4.3
260.54712	0.4
289.07236	1.0
317.06818	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0665
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74691	1.0
64.93687	0.9
69.48298	6.2
83.76863	0.8
95.01398	1.2
96.39444	1.1
96.95998	1.3
98.20750	1.0
99.04515	5.2
101.06093	1.3
104.02683	34.1
108.02178	3.2
117.03471	10.5
120.02190	5.2
122.92455	1.0
123.00850	1.5
133.02927	5.0
135.04581	1.5
145.02951	3.9
148.00549	1.8
148.01675	24.9
149.02058	1.4
159.04582	1.2
161.02443	19.4
165.13101	1.0
173.02376	1.5
174.03224	2.0
176.01134	12.1
177.01932	1.7
192.00650	5.7
199.07668	1.7
201.09303	1.3
205.01344	4.1
216.04327	1.4
220.00121	100.0
221.00594	5.1
229.12344	8.1
232.00119	8.7
234.01709	5.2
245.08142	11.1
259.99609	17.2
262.01199	2.2
266.17526	0.9
273.07718	1.9
273.11328	1.1
273.14862	2.5
273.65695	1.1
289.07184	40.9
290.07468	2.0
316.25726	3.9
317.06540	8.7
317.14178	5.1
317.25900	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0665
Annotation	Dexbrompheniramine
Peak:m/z	Relative Intensity
71.12170	1.1
89.03953	1.7
96.94826	0.5
104.02677	2.1
112.03549	0.5
118.04257	1.7
130.04210	0.8
132.02257	0.7
145.02943	0.8
148.01657	3.3
160.01617	1.2
161.02428	6.9
162.03203	1.3
173.02420	2.0
173.09676	0.7
174.03178	4.6
175.03996	1.0
175.99748	0.8
176.01151	7.5
177.01811	0.9
185.02432	0.6
187.03970	1.3
189.01924	4.2
189.05559	1.2
190.02710	10.9
191.03271	0.6
193.89787	0.5
198.03230	0.7
199.03998	0.8
201.01921	30.0
202.02690	6.5
203.03226	0.5
203.07132	1.2
211.04092	1.1
213.05518	0.8
213.18262	0.5
214.02660	1.7
215.03481	19.5
216.00789	4.9
216.04250	14.7
217.04924	2.2
217.08717	0.6
220.00093	4.4
222.01709	1.1
227.03441	0.7
227.07124	0.6
229.05048	12.6
230.05695	1.7
231.06564	0.9
244.03682	2.4
244.07230	0.7
245.08168	46.5
246.08504	2.2
273.04446	0.8
273.07657	16.6
274.08127	1.3
289.07260	2.9
317.06638	100.0
318.06976	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	317.0665
Annotation	Lecanoric acid
Peak:m/z	Relative Intensity
69.42657	6.1
84.26968	0.8
104.02692	8.5
107.47688	1.0
109.06619	1.4
118.04263	1.3
128.83807	0.9
130.04205	1.6
132.02185	10.7
144.05821	2.6
148.01657	6.7
157.10178	1.0
157.38641	0.9
158.03699	2.2
160.05194	2.6
162.03194	2.2
171.22115	1.0
172.05275	3.0
173.09698	5.2
174.03192	1.7
176.01106	2.4
185.06081	2.2
188.04779	5.1
190.02751	6.1
190.04144	1.0
192.00635	1.3
199.03998	1.7
201.01907	4.5
201.09163	7.4
202.02684	1.6
216.04268	26.4
217.04671	1.5
220.00104	23.5
221.00529	1.7
222.01639	2.0
229.05075	17.7
230.05446	1.7
244.07382	2.5
245.08171	70.9
246.08467	3.2
255.06589	1.4
273.07687	37.3
273.15009	1.7
274.07990	2.3
289.07101	2.6
317.06638	100.0
318.07022	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	316.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33142	0.2
59.01378	0.3
65.99853	0.4
69.18676	2.1
71.01388	0.8
80.96547	0.3
86.74075	0.2
88.07735	0.3
88.99192	0.2
93.03497	0.4
96.96001	0.2
98.20676	0.4
109.03003	0.2
113.02436	0.2
123.00900	2.6
124.01665	6.7
133.02951	0.3
135.04539	1.7
153.00676	2.2
154.01457	100.0
155.01799	2.2
155.02783	0.2
161.02405	1.1
173.12959	0.2
177.01891	0.2
179.03481	0.8
187.75160	0.2
211.07634	0.3
230.08192	1.4
243.03027	0.3
284.12842	0.6
314.82370	0.2
316.06696	15.6
316.15347	3.4
317.06973	1.5
317.16016	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0666
Annotation	Lecanoric acid
Peak:m/z	Relative Intensity
58.86378	0.3
59.01377	1.6
65.03962	0.6
66.36784	0.4
69.03460	5.2
69.67464	1.9
71.01388	1.0
83.05020	1.6
85.74839	0.4
93.03465	1.9
101.06097	1.0
107.05019	1.0
109.02949	5.7
111.00832	0.5
111.03806	0.7
111.04516	6.6
113.02457	1.2
118.96484	0.4
121.02952	1.1
123.04539	0.5
130.04277	0.4
131.05014	1.3
133.02962	4.4
134.03767	3.1
135.04526	100.0
136.04855	3.3
137.02403	2.1
139.77420	0.4
140.94753	0.4
143.24144	0.3
145.02985	0.7
145.05072	2.5
145.06604	0.4
146.03673	0.8
147.04539	0.6
155.03494	0.4
156.13036	0.3
159.04521	18.6
160.04866	0.7
161.02440	30.6
161.06100	1.3
162.02861	1.3
171.04486	0.5
172.05342	2.3
173.02426	0.7
173.06094	2.2
174.06822	0.9
177.05576	0.8
179.03534	1.2
181.01460	0.5
183.08076	0.4
185.06097	2.2
186.06702	0.5
187.07646	3.0
188.04807	1.0
191.25740	0.4
199.07611	0.4
200.04793	0.7
201.05600	2.0
201.09215	1.6
203.03503	0.9
211.07588	1.9
213.05531	1.7
214.06296	1.2
227.07184	0.8
229.08679	12.1
231.06618	2.2
231.10562	0.7
245.04802	0.5
255.06570	2.6
273.07663	42.2
274.07959	2.3
317.06644	9.5
317.10297	0.6
317.19641	0.4
318.07013	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1964
Annotation	Pisiferic acid
Peak:m/z	Relative Intensity
59.01379	7.7
71.51500	1.4
81.03465	1.2
83.05004	1.7
95.05025	5.2
106.04243	1.4
107.08684	1.7
109.06585	2.9
138.75047	1.1
145.06598	2.2
147.08154	3.9
156.65105	1.1
161.09691	3.1
163.11293	27.0
165.12793	9.5
189.12822	10.2
215.14293	1.8
217.15961	37.6
218.16234	1.9
230.16696	1.6
253.19702	1.6
271.02267	1.4
271.20682	41.5
272.21057	4.0
286.98196	2.4
297.18503	4.0
301.62268	1.5
306.95187	1.4
314.97824	2.9
315.19644	100.0
315.25510	3.4
316.20023	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98702	0.3
73.62833	0.3
96.82069	0.3
98.20682	1.3
125.09692	0.6
127.10463	0.2
127.11294	1.2
131.95323	0.2
140.74355	0.3
141.12872	0.6
144.73726	0.3
164.11678	0.3
253.21906	0.3
267.23407	0.5
271.13324	0.6
297.24380	1.9
313.23822	3.5
315.25369	100.0
316.25720	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	314.27
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
53.55977	0.8
59.01380	2.3
60.44237	0.9
61.95066	1.0
71.52193	1.3
79.60546	0.8
96.28542	0.8
111.18388	1.0
118.05122	1.3
142.13916	0.9
153.16693	0.8
155.43144	0.9
183.34961	0.8
184.55621	0.9
213.08264	0.9
219.49142	0.9
253.58238	0.9
268.26276	2.3
270.24292	1.2
296.26166	1.2
314.27017	100.0
314.97815	1.9
315.19769	1.3
315.27631	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	315.0721
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
61.25179	0.3
64.43509	0.4
70.62891	0.7
70.63246	0.5
81.03481	0.4
98.20033	0.5
101.07090	0.3
108.02170	4.0
109.02953	70.0
110.03297	2.0
118.98141	0.4
124.96085	0.3
135.04492	0.7
138.41862	0.3
152.01166	1.1
153.01936	100.0
154.02232	2.4
315.07224	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	315.1086
Annotation	Taxicatin
Peak:m/z	Relative Intensity
59.01374	1.0
70.27026	0.6
70.27423	0.6
71.01384	0.8
89.02469	0.3
93.03452	0.4
95.05042	0.4
98.13211	0.3
103.10840	0.3
109.02953	0.5
119.49972	0.3
122.03712	0.6
122.97607	0.5
123.04524	72.5
124.04873	1.5
125.07202	0.3
125.52959	0.3
135.04527	1.4
136.42148	0.3
153.05574	100.0
154.05916	4.0
154.93158	0.3
160.52161	0.3
175.04735	0.3
264.82877	0.3
267.67505	0.4
293.08856	0.3
315.10803	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	315.1238
Annotation	Monocillin II
Peak:m/z	Relative Intensity
59.01380	2.9
63.84815	1.2
71.49468	1.2
71.51962	1.2
71.52332	2.0
78.61647	1.1
83.05040	3.2
89.03996	2.3
93.58416	1.1
118.04259	3.6
121.02883	1.3
134.03740	15.3
135.04550	8.3
145.02847	1.7
148.01672	3.8
149.02383	1.9
152.35953	1.2
154.70082	1.2
161.02429	11.2
162.03246	15.2
163.03946	2.1
173.02452	3.4
173.06027	1.5
174.03223	4.0
176.01135	11.9
189.01926	6.7
190.02716	17.8
199.03949	1.3
201.01920	26.2
202.02684	8.8
204.00580	1.3
213.05550	2.1
215.00244	1.8
215.03511	25.6
216.00664	3.8
216.04248	14.3
222.01753	2.2
229.05080	6.5
230.99275	1.4
271.09708	3.2
286.98447	1.7
287.12875	84.6
288.13223	5.1
313.23926	1.5
314.97766	5.7
315.12402	100.0
315.25345	55.8
316.12589	7.9
316.25824	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	314.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.1
57.03450	1.3
59.01375	4.0
69.03470	1.7
69.15314	1.4
69.15653	10.1
71.01369	2.7
71.05014	1.2
72.04533	4.9
74.02484	1.3
82.02982	7.5
83.01376	5.8
83.05019	1.1
85.02966	0.9
88.04045	4.6
89.02451	1.1
90.63708	0.7
95.05038	3.9
96.04510	0.9
97.06595	17.1
98.02486	12.0
98.06105	1.0
98.19865	2.0
99.08154	2.6
100.04041	1.9
101.02488	2.0
107.04987	0.9
108.04611	1.0
109.02965	1.5
110.02484	2.2
110.06119	11.3
112.04087	1.3
118.98079	3.9
121.02972	1.9
122.06052	0.9
124.01649	1.0
124.07690	1.1
126.05606	3.9
128.03554	6.3
130.14668	1.2
132.08217	1.7
135.04524	5.1
137.02437	6.6
137.09734	1.2
138.03149	0.9
142.08743	1.7
142.12369	3.2
143.07133	0.9
149.09784	1.4
150.09216	5.9
151.03990	3.8
152.04324	3.6
152.07159	1.9
154.05081	5.7
164.10786	2.3
165.05589	1.1
167.05821	1.9
168.10295	26.2
168.11728	1.5
170.30115	0.9
171.10211	0.9
172.08105	0.9
176.07280	0.9
178.12398	1.8
178.53110	0.8
179.03476	1.2
180.13939	4.8
181.05099	2.0
186.11351	78.4
187.11717	3.2
190.12364	1.4
196.09779	2.4
206.11891	1.9
208.13364	5.8
221.06874	1.0
222.11391	1.0
224.12936	3.3
232.09821	2.4
235.14514	1.3
242.08054	1.4
242.13808	1.6
250.10825	8.5
252.12405	16.4
253.12553	1.6
268.11899	2.4
269.11230	1.5
270.13501	40.5
271.13986	1.8
279.13660	1.4
286.10818	2.2
296.11465	1.8
297.14505	2.3
314.12500	100.0
315.06293	1.3
315.12650	5.0
315.15674	17.8
337.55536	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2386
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
57.03434	0.5
69.03457	0.3
69.62220	1.1
71.05020	0.5
77.96926	0.2
79.95752	0.2
85.47450	0.2
85.73239	0.2
95.04996	0.2
97.06580	0.2
106.99839	0.2
111.08141	0.3
112.66660	0.2
113.06047	0.2
120.73663	0.2
123.08174	0.5
125.09727	2.7
127.11262	0.5
137.09688	0.3
141.12845	1.1
155.14423	0.3
169.12308	0.2
181.64023	0.2
183.01215	2.6
185.11905	0.4
187.13390	0.3
197.79578	0.2
223.22295	0.2
225.22188	0.2
252.65388	0.2
253.21722	0.6
267.23288	0.6
280.85175	0.2
289.22897	0.2
295.22809	0.9
311.22214	1.5
313.15024	3.6
313.23834	100.0
314.14874	0.3
314.24161	7.2
314.61920	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43180	0.2
57.03451	1.0
58.37032	0.2
59.01390	1.1
63.72695	0.3
69.03452	0.5
69.70739	0.5
69.71148	0.6
71.05044	0.3
76.33400	0.2
80.81453	0.2
97.06573	0.3
98.20602	0.4
99.08851	0.2
106.98930	0.2
121.02930	0.6
125.09704	1.0
127.11309	0.7
137.02475	0.2
138.48677	0.2
141.12909	1.0
146.83609	0.2
151.47786	0.3
169.12334	0.4
170.00482	0.2
171.10286	0.4
181.15974	0.7
183.01212	3.2
184.01602	0.2
191.41631	0.2
197.15451	0.2
253.21791	0.4
267.23288	0.8
268.23685	0.3
271.19144	2.9
295.22742	1.2
311.22287	3.5
313.14954	5.0
313.23840	100.0
314.14990	0.4
314.24173	8.5
331.90485	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0928
Annotation	Glochidionolactone A
Peak:m/z	Relative Intensity
55.01874	1.9
57.03413	1.8
59.01371	6.0
71.01380	16.8
71.47198	1.5
71.47552	1.3
73.02944	4.5
83.01373	2.6
85.02957	9.6
87.00847	1.8
89.02440	1.9
93.03469	1.8
96.68249	1.2
99.00879	3.1
101.02431	7.4
106.04241	3.4
107.05028	33.4
108.02196	1.8
113.02447	7.3
121.02938	6.3
122.03735	3.2
123.04533	18.9
133.02965	13.0
135.02989	1.6
135.04512	6.9
150.03214	2.7
150.75768	1.2
151.04002	100.0
152.04362	3.6
161.04565	2.4
166.16698	1.5
177.01945	2.0
182.92342	1.5
195.03072	6.7
260.41449	1.3
269.08136	2.1
313.09546	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0387
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73068	1.7
55.16942	1.5
59.01378	11.1
66.92142	1.7
71.01367	8.9
71.51402	2.3
75.00865	2.4
81.03420	1.8
85.02962	4.5
87.00874	3.2
89.02444	2.6
96.95999	3.8
99.00886	30.5
101.02422	3.7
104.26566	1.7
107.05048	3.2
107.93060	1.6
109.02975	2.0
115.00360	2.1
119.05003	2.3
121.02972	15.3
123.04522	4.5
132.01930	1.7
132.99675	6.5
133.02954	5.9
134.03723	3.4
135.04527	100.0
136.04893	3.7
137.02432	4.0
144.10056	1.8
151.04042	13.7
177.01953	3.2
179.03500	20.4
193.04964	2.3
195.02986	3.5
197.04550	8.0
224.94038	2.8
241.05135	1.9
249.04015	3.0
269.08191	7.4
270.11334	4.4
313.06506	3.4
313.09363	7.4
314.10370	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	313.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09102	0.4
59.01380	0.6
70.48285	0.8
70.48624	0.4
71.01383	6.7
71.24995	0.3
86.98880	0.4
90.91093	0.4
98.73877	0.5
109.02930	0.7
115.00371	9.0
123.04536	2.4
133.01431	15.9
134.03778	0.8
135.04526	100.0
136.04892	3.0
137.02409	0.6
147.48274	0.4
151.03998	1.0
153.05576	13.0
161.97025	0.4
167.03514	1.7
179.03496	1.2
197.04544	10.1
200.48047	0.4
245.35239	0.4
258.00787	0.4
278.57391	0.4
285.81433	0.4
313.06534	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0718
Annotation	Sylpin
Peak:m/z	Relative Intensity
59.01380	0.3
61.50450	0.2
61.98830	0.2
70.16665	0.7
84.55054	0.2
86.84808	0.2
93.03455	0.3
108.02188	0.3
121.02958	100.0
122.03291	2.6
162.53659	0.2
171.39804	0.2
180.05785	1.2
181.06570	4.4
197.06036	0.3
199.00705	1.3
211.04051	0.2
212.04849	0.9
225.05565	6.2
265.77777	0.2
269.08093	0.4
269.11890	0.7
305.67102	0.2
313.07205	14.3
313.10773	1.5
313.14441	2.8
313.18057	0.2
313.23880	0.2
314.07626	1.0
314.15265	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2228
Annotation	12,13-Epoxy-9-hydroxy-10-octadecenoate
Peak:m/z	Relative Intensity
51.66451	0.7
56.02084	0.7
57.03437	2.4
59.01379	7.9
69.03458	1.0
71.01377	0.8
71.51535	0.9
73.02944	0.8
76.23737	0.6
83.05040	1.3
97.06626	1.3
99.08152	3.0
113.09739	2.4
121.10210	0.7
123.08164	1.4
125.09775	1.2
127.07629	0.7
127.11302	2.4
129.09224	7.8
139.11293	6.1
151.11253	1.2
155.10776	1.9
161.04530	0.9
161.62851	0.6
167.10779	0.9
167.23508	0.7
169.12370	1.6
171.10272	25.4
172.10599	1.1
181.12334	5.0
183.01199	1.9
183.10300	2.1
183.13878	3.1
185.11839	4.4
193.12341	1.5
197.11845	9.7
199.13461	4.7
201.11278	4.5
211.11485	1.2
211.13408	16.7
212.13835	0.9
265.21857	0.6
275.20218	2.6
293.21219	17.9
294.21576	1.6
311.22281	100.0
312.22638	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	313.0352
Annotation	Gomphrenol
Peak:m/z	Relative Intensity
55.96119	0.5
59.01334	1.9
59.01711	0.7
70.08295	1.7
70.08693	1.4
71.01329	2.6
71.01675	0.7
81.03415	1.6
93.03422	2.1
95.04981	0.9
104.02648	1.1
105.03395	2.1
107.04970	0.7
108.02116	0.8
109.02950	29.0
114.54321	0.7
121.02949	5.0
123.04474	1.7
125.02372	0.8
133.01392	0.8
133.02953	6.1
134.03659	3.0
135.00827	1.2
135.04521	11.1
137.02422	5.2
139.03983	0.9
141.07056	1.7
143.05003	1.4
145.02957	1.1
147.00806	0.8
147.04518	3.9
148.01575	2.1
149.02429	12.6
149.84785	0.7
151.03949	2.8
151.05862	0.6
157.06544	0.9
159.04408	2.3
161.02438	1.2
161.06032	5.4
163.91507	0.6
165.05374	0.8
167.04932	0.9
169.06528	1.8
171.04453	2.5
175.00363	1.3
176.01115	3.5
177.00505	1.0
177.01929	13.0
178.02579	1.8
179.03470	5.2
183.04393	1.2
185.06044	6.6
187.03912	1.0
189.05557	28.6
190.05849	0.9
195.02899	0.7
195.04482	2.7
196.05191	0.8
197.06076	1.9
198.03333	1.0
199.03999	3.0
201.05498	1.2
210.98589	1.8
211.03975	11.6
212.04546	2.3
213.05522	9.4
215.03510	4.6
223.03978	1.5
225.05533	0.9
227.03531	0.9
228.04202	0.7
229.05035	14.4
237.05226	0.8
239.03365	2.7
240.04250	0.8
241.05080	4.2
243.02928	1.1
254.05725	1.0
256.03720	1.1
257.04544	8.5
267.02948	18.0
268.03223	1.3
269.04602	0.6
269.08118	3.1
285.04016	91.5
286.04462	4.9
295.15421	0.8
313.03522	100.0
313.16620	2.9
314.03873	6.4
314.11447	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2228
Annotation	CHEBI:132678
Peak:m/z	Relative Intensity
57.03449	1.8
58.00581	1.1
58.78328	0.7
59.01108	1.1
59.01380	14.7
61.38847	0.7
69.03427	1.2
70.99885	1.4
71.00212	0.8
71.01359	1.2
72.47800	0.7
83.05010	1.3
97.06601	1.9
99.08143	5.1
101.02433	1.4
111.08138	1.9
113.09755	5.8
113.66315	0.7
126.15716	0.7
127.07638	0.8
129.09222	13.2
151.11273	1.3
153.12846	2.7
157.08672	1.1
161.04541	1.0
169.12323	1.9
171.10229	0.9
181.12358	9.7
183.01170	2.7
183.13843	4.6
193.12305	2.6
197.09071	0.8
197.11836	13.8
198.12149	0.9
199.00757	0.7
199.13431	6.1
211.13399	31.2
212.13799	1.2
213.14992	2.4
227.12921	0.8
251.11276	2.0
265.21674	0.9
267.06412	0.8
275.20200	1.6
293.21262	18.5
294.21661	1.3
299.82449	0.8
301.22302	0.8
311.17093	5.7
311.22269	100.0
312.22568	8.3
327.98175	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2228
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
57.03443	2.0
59.01380	7.3
67.20322	0.9
77.94712	0.9
83.05019	1.9
83.56249	0.9
97.02930	1.6
97.06634	1.2
99.08179	2.2
113.09705	4.8
114.05033	1.0
121.10266	1.2
129.09235	7.2
139.11301	2.2
163.11244	1.2
169.12399	1.7
171.10262	12.6
180.16869	1.1
181.12320	4.4
183.13907	2.4
193.12306	4.3
197.11838	11.2
199.13365	5.0
211.13400	19.6
275.20181	2.1
293.21216	27.7
293.35092	1.1
294.21439	2.9
302.52252	1.0
311.22269	100.0
312.22610	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	311.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83615	0.2
69.37349	2.3
75.98481	0.3
79.95697	1.4
93.94423	0.3
98.20617	0.6
105.54092	0.3
112.27538	0.3
119.05047	1.2
170.00441	1.7
183.01198	57.2
184.01709	2.5
197.02820	2.3
198.03473	0.7
201.99414	0.3
211.04387	0.4
216.00952	0.7
225.05878	0.8
239.07404	1.0
239.60846	0.2
247.20541	0.3
253.08763	0.3
311.16846	100.0
312.17169	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	311.2016
Annotation	Longithorone K
Peak:m/z	Relative Intensity
59.01372	1.3
63.87669	0.3
68.55264	0.3
69.28465	2.6
69.68171	0.3
70.31480	0.3
79.95756	0.7
97.72292	0.3
117.58652	0.3
119.04992	0.4
133.06573	2.5
147.57437	0.3
149.09717	100.0
150.10059	4.1
152.77588	0.3
183.01202	25.9
184.01968	4.2
197.02827	1.5
216.01001	1.9
222.37477	0.3
237.39813	0.3
239.07584	0.4
247.20555	0.4
259.15973	0.3
311.16861	62.2
311.20230	58.7
312.17175	4.4
312.20569	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2227
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
51.46657	0.7
57.03432	0.7
59.01380	17.0
69.51398	0.7
71.01379	1.0
71.31441	0.9
72.89890	0.6
79.95734	1.3
88.58426	0.7
93.65276	0.6
97.06613	0.9
99.08112	0.8
101.02455	1.7
108.02223	0.8
113.02521	0.9
114.80529	0.7
115.07652	2.1
117.80432	0.7
125.96690	0.7
128.08430	0.9
161.04494	1.1
167.14404	4.7
171.10222	0.9
183.01216	4.5
183.13832	2.7
195.13869	10.6
197.02800	1.0
211.04376	2.1
211.13292	0.9
213.15012	1.0
247.17023	2.0
251.11290	2.5
265.21735	1.0
285.83990	0.7
293.21216	11.1
311.13181	9.6
311.16736	15.8
311.22244	100.0
312.17133	1.4
312.22534	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	311.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41072	0.9
57.03435	1.8
59.01376	34.3
71.05022	1.2
71.52492	1.3
72.61668	1.1
80.72292	1.0
84.27367	1.2
85.06599	2.4
95.05020	11.3
96.96008	1.0
109.06609	1.7
145.69998	0.9
177.15456	0.9
179.14415	18.4
188.04239	1.1
189.12846	21.0
190.13303	1.2
205.12297	3.3
207.13892	45.5
208.14185	3.0
223.13380	4.7
225.14954	15.9
251.12883	56.1
252.13229	2.5
268.16788	1.1
269.13919	100.0
270.14191	5.3
281.65674	1.1
311.15088	27.4
311.29593	1.1
312.15536	1.8
325.08698	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
70.97719	0.6
72.45779	0.3
79.95776	1.1
108.87684	0.3
119.05025	0.9
130.07761	0.3
156.75722	0.3
164.62366	0.3
168.49944	0.3
170.00389	1.9
179.53236	0.3
183.01201	48.3
184.01793	2.1
184.59010	0.3
197.02777	1.2
213.19398	0.4
216.00951	0.5
225.05811	0.5
239.07410	0.8
311.16855	100.0
312.17169	6.9
316.48807	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
69.84634	0.3
70.02020	1.4
79.95763	1.3
119.05027	1.2
133.82394	0.3
136.52191	0.3
170.00432	1.1
175.89111	0.3
183.01204	50.2
184.01917	4.3
197.02744	2.2
198.03529	0.8
213.64360	0.3
215.99167	0.3
216.00900	1.7
225.05847	0.5
230.02573	0.4
239.07478	0.7
247.20674	0.5
253.08894	0.3
311.16852	100.0
312.17181	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.8
59.01375	1.5
60.36879	0.6
61.31039	0.8
69.73115	2.5
69.73528	1.6
71.01377	0.8
72.87725	0.7
72.99316	1.4
73.02944	6.1
75.00890	4.3
82.79189	0.7
87.00875	10.1
89.02436	0.9
89.03973	2.5
107.05122	0.7
112.50739	0.7
117.01947	15.4
117.03441	9.1
133.02945	2.0
134.03745	85.1
135.03000	11.4
135.04080	2.9
137.02391	0.8
149.06082	7.7
160.01656	1.2
175.04092	0.8
178.02675	4.5
189.01920	1.4
193.05055	100.0
194.05394	3.1
208.99216	0.7
298.79865	0.7
311.05505	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.0
69.16334	10.7
71.01376	6.6
72.99303	1.6
73.02949	5.6
75.00871	5.9
77.03955	1.2
81.03496	1.0
87.00880	11.6
89.02415	1.0
89.03979	3.1
93.03455	1.5
105.03440	3.7
106.04203	1.5
107.05027	1.7
113.89581	1.2
115.00385	1.6
117.01942	15.6
117.03452	9.5
121.02958	7.7
123.04549	2.4
133.01460	1.4
133.02956	28.9
134.03745	90.7
135.03027	19.4
135.04036	2.9
137.02464	1.4
146.08070	0.9
149.02492	1.4
149.06093	7.9
151.03993	3.5
161.02414	2.8
175.04042	1.8
177.01906	4.8
178.02686	4.6
179.03398	1.0
189.01950	6.4
193.05058	100.0
194.05461	5.9
195.02957	16.9
239.07076	1.0
267.06552	1.8
293.04416	1.3
311.05466	15.7
311.11160	1.5
312.05783	1.1
312.08994	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45738	2.6
59.01377	64.2
60.01708	2.6
68.77461	2.7
70.03432	4.9
70.03812	6.5
71.01378	25.5
76.29157	2.9
78.95898	15.3
85.02922	5.0
89.02445	34.9
101.02428	9.6
111.66774	2.4
113.02426	12.6
119.03489	13.1
126.98882	4.0
130.08751	100.0
149.02444	2.7
149.29445	2.8
161.01704	2.8
178.96059	6.0
179.05569	5.9
208.99100	5.2
219.98030	2.8
250.03197	9.6
251.11362	3.6
309.04144	3.9
310.02731	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.041
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25478	1.5
59.01377	51.6
61.98798	1.7
70.41466	3.3
70.41856	3.3
71.01375	12.7
72.99307	15.2
73.02940	5.1
75.00877	2.7
84.79700	1.9
87.00874	29.6
89.02468	2.1
95.05046	1.8
101.02468	2.4
103.00368	5.0
105.01981	2.4
105.03470	6.5
107.05041	6.6
108.02178	2.9
109.02969	4.3
115.00401	4.8
117.01960	12.7
117.03459	5.1
122.10188	1.7
123.04512	5.9
133.01381	4.6
133.02957	63.2
134.03751	66.6
135.02962	5.5
135.04530	53.6
147.00912	1.9
149.00916	100.0
149.06073	4.9
150.01256	1.9
151.03973	8.5
153.90834	2.0
175.03938	1.9
177.01920	6.6
179.03505	50.0
193.05049	73.4
194.05409	3.0
195.02975	25.7
208.99120	2.9
267.06604	2.9
279.01468	3.8
311.05258	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	1.4
57.52436	0.8
59.01366	2.8
59.38500	0.7
70.99248	1.9
71.01385	1.5
77.50686	0.8
95.05018	0.9
97.06590	1.9
111.08109	1.0
113.09711	3.4
115.07636	1.6
125.06107	1.0
129.27026	0.9
139.11232	1.3
141.09145	1.6
151.04033	1.2
151.07646	1.8
152.08432	2.6
160.59113	0.8
165.12878	4.3
167.10846	1.4
167.14403	2.4
175.11285	0.8
181.12329	5.4
183.13843	0.9
192.14839	0.7
193.12332	1.7
195.14021	0.9
204.69301	0.9
209.15433	4.0
211.13348	4.5
213.14879	1.1
221.15443	2.3
240.13602	2.3
247.20702	4.9
263.20157	0.9
273.18631	4.6
281.21069	2.1
291.19675	45.8
292.19968	3.4
309.17358	4.7
309.20691	100.0
310.21014	9.1
323.53201	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.6
59.01384	1.5
61.73523	0.8
69.03441	2.1
70.11147	2.5
73.02949	0.9
73.79902	0.9
83.05046	1.3
94.65521	0.8
95.01395	2.6
97.02937	4.7
97.06567	1.1
98.20706	0.8
98.77693	0.8
99.00870	8.6
108.58103	0.8
108.72043	0.8
111.00896	1.8
111.08167	12.5
123.00866	1.3
123.08137	0.8
125.06071	1.2
125.09700	1.3
127.07623	1.8
137.06078	1.9
137.09705	2.4
148.33742	0.8
151.04015	22.7
151.07646	35.7
152.08432	39.6
153.08934	1.7
162.10600	0.9
163.11264	3.0
165.12846	3.4
167.10739	1.5
169.12303	2.4
171.10269	2.8
175.07751	1.3
177.12753	0.9
179.14508	0.9
180.07855	0.9
181.12306	2.7
183.13879	2.6
184.07411	8.3
186.17365	0.9
190.09952	3.1
193.08685	4.6
193.12407	1.8
193.15892	1.6
195.13846	1.5
197.10005	2.0
197.11829	36.8
198.12102	1.2
199.13460	1.5
207.10341	0.9
208.11070	5.8
209.15460	64.2
210.15765	3.5
211.13422	6.4
223.13333	1.8
247.16994	4.1
247.20697	4.7
251.16528	1.6
252.10062	12.8
253.10345	1.1
263.20129	2.9
265.18069	15.2
266.18286	1.2
273.18585	1.8
291.16174	5.0
291.19617	47.5
292.19937	3.1
309.17035	100.0
309.20682	54.1
310.17377	7.5
310.21045	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	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	1.4
59.01372	2.1
62.63216	1.1
66.12163	1.3
67.12598	1.4
69.03429	3.8
71.39100	2.6
83.05039	2.3
92.56677	1.5
93.07128	1.6
96.99413	1.1
97.02907	8.1
109.06567	1.8
110.55489	1.1
111.08161	35.3
111.76858	1.3
125.09762	1.5
127.07632	1.3
137.09718	3.4
151.07625	2.7
151.11278	2.5
152.08360	2.5
153.09160	1.3
153.12840	1.5
165.12799	4.3
169.12347	8.8
171.10258	3.5
181.12360	3.6
197.11824	100.0
198.12131	4.1
199.13387	5.0
209.11739	2.5
209.15424	8.8
211.13406	9.6
217.21872	1.3
223.16914	2.7
227.12822	6.0
233.15492	1.9
242.26926	1.3
247.20595	5.1
251.16505	2.8
263.20105	3.8
265.18011	3.2
273.18555	3.5
291.19638	49.7
292.20029	2.7
309.17117	4.2
309.20670	55.4
310.20963	3.3
311.97012	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
57.03434	2.7
59.01379	4.7
62.19859	0.7
65.42835	0.7
69.03445	1.6
71.01347	1.4
71.04986	1.2
76.14034	0.7
79.95743	2.0
80.02689	1.7
81.03443	3.6
83.01393	7.1
83.05022	5.4
95.05008	2.4
96.96024	1.9
97.02934	2.2
97.06602	4.1
98.03676	1.2
98.20658	1.9
99.04512	1.7
109.06584	1.1
110.03712	0.8
111.08164	1.0
113.06111	0.9
119.05028	1.8
121.03015	0.9
123.04482	2.3
123.08128	4.3
125.06062	2.0
125.09707	7.4
127.11311	2.0
131.08565	0.9
133.03000	1.2
135.04478	1.6
137.09702	1.4
139.11298	8.5
141.09171	0.9
151.03963	2.3
151.07663	4.7
151.11241	1.9
152.08467	3.7
152.24495	0.7
163.11305	6.4
165.09181	1.1
165.12836	11.8
167.10820	4.6
168.11511	1.6
170.00441	1.7
171.10258	1.5
179.10951	0.7
180.04178	0.9
181.12350	3.7
183.01230	8.1
183.13808	1.0
184.01970	0.8
185.11877	1.0
190.10126	0.8
191.10776	2.2
193.15938	4.6
195.01236	1.0
196.01970	1.5
197.02762	2.6
197.11803	1.2
207.10231	0.9
209.02759	4.6
209.11816	41.8
209.15175	7.0
210.03465	1.0
210.12140	2.0
211.13266	1.5
216.00941	1.0
217.15886	0.8
219.17528	1.1
223.04315	2.8
223.13478	1.0
227.12633	0.8
237.05925	3.8
245.19057	1.0
247.16899	1.2
247.20653	12.4
248.21060	0.9
251.07417	2.9
252.09935	1.6
253.55890	0.7
265.09128	1.3
265.17975	2.6
265.21671	3.0
273.18570	4.0
279.10718	0.9
281.21216	1.3
291.19653	74.4
292.20032	6.3
309.15256	100.0
309.20691	27.7
310.15457	8.9
310.20978	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
53.53974	1.0
57.03437	2.6
59.01368	3.4
62.97622	0.9
67.01905	1.2
69.44848	7.3
71.05011	2.0
79.95754	2.2
80.02667	5.4
81.03453	4.1
83.05025	18.4
84.02168	5.7
90.27223	0.9
96.95977	2.0
97.02928	1.8
97.06618	2.6
98.15396	1.1
99.08125	5.1
109.06591	2.0
111.08158	1.0
113.09712	1.7
113.48798	0.9
115.07630	2.9
115.20119	1.0
116.18732	1.0
123.00615	1.0
123.04464	1.5
123.08149	2.1
125.09710	3.9
127.11296	2.7
137.09721	29.8
138.10085	1.3
139.11243	4.7
143.36797	1.1
151.03976	3.0
151.07634	5.7
151.11244	2.4
152.08379	3.8
153.09210	4.4
154.09969	1.2
155.09593	2.0
155.10782	27.9
165.58737	1.2
167.10799	2.6
169.12349	1.2
170.00433	2.1
171.10272	26.3
175.11320	1.3
183.01204	8.2
184.01926	1.2
193.12332	18.4
195.01193	1.1
197.02859	1.2
197.11655	2.0
209.02782	8.0
209.11774	3.1
209.15456	7.8
210.03589	2.6
211.13297	2.3
223.04356	5.6
237.05792	5.7
247.17068	2.1
247.20564	5.3
251.07498	3.3
252.98950	1.0
263.20065	4.6
265.08963	3.6
265.17859	1.9
265.21762	10.4
270.61111	1.1
279.10712	2.1
291.19662	55.3
292.19934	4.5
309.15256	100.0
309.20663	52.7
310.15411	11.5
310.21027	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96388	1.2
58.00579	1.7
59.01383	2.6
64.44063	1.1
67.93971	1.2
71.08470	1.8
71.08794	1.7
83.05048	1.5
85.50421	1.3
96.76731	1.1
97.06629	1.4
99.04475	2.4
109.06503	1.6
111.08163	29.0
123.08204	1.5
127.07681	3.0
128.61089	1.5
151.07590	1.2
153.12851	1.3
169.12312	5.3
181.12332	3.5
183.38924	1.3
193.12187	1.2
197.11826	100.0
198.12178	4.5
199.13316	4.4
209.11737	1.5
209.15422	2.6
211.13405	11.1
227.12816	2.8
255.54214	1.3
263.20172	6.8
265.18097	3.8
273.18591	1.5
291.19659	19.9
292.20071	1.8
309.17090	5.8
309.20688	30.7
310.21085	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	3.2
59.01371	5.2
59.57256	0.9
65.94524	1.2
67.01877	1.6
70.07055	3.8
71.01379	1.2
80.46768	1.0
81.20430	1.1
83.04987	1.4
88.81721	1.1
96.95965	1.4
97.06567	2.9
111.08134	2.6
121.10244	13.9
123.08181	2.6
125.09686	7.6
130.64456	1.3
132.52734	1.0
137.09711	4.1
142.02023	1.0
167.14455	1.8
171.10231	6.0
185.11819	11.4
197.11836	5.4
207.45601	1.2
209.11752	1.7
211.13379	74.3
212.13707	4.6
247.17067	1.3
247.20644	1.6
251.16574	1.4
273.18640	1.7
291.19653	100.0
292.19931	7.1
309.03885	1.3
309.17062	3.1
309.20657	11.2
327.97372	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.2
57.89018	1.1
57.92228	1.2
59.01355	2.0
67.01865	1.3
69.03445	5.1
71.05018	1.3
83.05017	2.0
84.14063	1.1
97.02953	28.0
97.06586	1.3
99.00851	3.6
108.99050	1.3
109.06588	1.7
119.08693	2.0
123.04440	1.4
123.08124	2.1
125.09693	5.0
137.09673	4.8
151.03983	1.5
151.07613	1.9
152.08400	4.3
163.11226	4.4
165.12854	9.9
166.37637	1.3
171.10309	12.9
179.14307	1.5
181.12297	3.9
183.69386	1.2
193.12334	3.1
193.15991	2.8
197.11723	1.9
203.01234	1.1
207.10153	1.5
209.11807	5.3
209.15492	8.5
211.13405	2.9
223.13382	2.3
223.16965	2.9
227.12914	7.6
247.20677	9.9
251.16594	2.2
273.18607	5.3
291.19650	100.0
292.20023	8.1
309.17081	4.5
309.20642	49.7
310.21030	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	309.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	32.4
57.42274	1.4
59.01380	38.9
60.99299	2.6
69.03446	4.3
71.01393	3.6
71.05015	6.9
73.02993	1.5
80.96483	2.5
81.03456	44.0
81.03936	2.4
83.05046	2.6
84.02178	3.2
85.02961	8.9
92.83655	1.3
95.05032	5.4
96.95988	1.4
97.02957	2.2
97.06587	4.4
98.03744	18.9
99.03912	2.7
99.04527	38.6
100.46646	1.4
105.07033	1.6
107.05035	5.0
109.06660	1.6
113.06082	2.6
115.03999	12.0
121.02952	6.3
121.44331	1.4
123.08163	34.8
125.06087	5.9
133.02942	2.3
135.04521	1.6
137.02455	3.4
137.09731	7.2
156.89153	1.4
163.04022	9.6
165.12868	6.9
177.12897	2.8
195.06583	1.9
203.14384	5.2
205.15976	4.4
209.04639	2.2
209.11830	37.9
209.15184	1.8
211.13354	3.8
221.15640	3.1
228.99094	1.6
229.15976	2.8
231.13928	3.5
247.17024	16.3
249.15018	1.8
250.08739	4.6
265.14444	15.5
265.18082	35.9
266.18274	1.5
277.05313	1.6
278.08252	13.0
291.16083	14.2
309.14084	3.5
309.17084	100.0
310.17322	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11226	1.1
56.93965	1.0
59.01379	24.3
63.17236	1.1
64.23849	1.1
64.34797	1.0
72.24236	1.1
72.38268	1.1
75.58625	1.1
79.95721	2.9
96.13258	1.3
96.96009	24.3
98.19886	3.5
104.88912	1.1
122.97477	1.3
141.62315	1.0
144.84581	1.2
151.03996	2.6
151.07623	4.3
152.08360	3.4
208.11014	1.3
209.15504	5.5
227.20161	100.0
228.20486	7.1
265.17896	1.6
301.29285	1.2
309.17221	34.7
309.20517	15.5
310.17578	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.171
Annotation	Neobritannilactone A
Peak:m/z	Relative Intensity
57.03448	29.0
59.01379	31.4
60.99303	2.0
69.03471	3.6
70.80489	3.2
71.01380	3.3
71.05025	10.7
73.02963	1.7
79.95730	1.1
81.03458	47.2
82.27367	1.3
83.05031	3.1
84.02174	5.3
85.02950	9.4
95.05032	5.3
97.02967	3.9
97.06586	6.1
98.03744	15.0
99.04520	50.2
105.33073	1.2
106.33537	1.2
107.05032	7.7
109.02945	3.0
111.08150	1.4
121.06592	2.7
123.08166	46.9
123.83981	1.1
124.05260	1.9
124.08484	1.3
125.06081	8.0
125.09735	1.8
134.03749	2.1
135.08098	1.2
137.09720	13.3
139.07640	1.7
151.11285	1.6
165.01872	1.5
165.12837	6.5
171.10258	6.2
177.12840	2.2
185.11836	3.2
197.11787	3.3
203.14481	2.9
205.15907	2.1
209.09901	2.3
209.11815	38.6
210.12169	2.0
221.15521	1.9
229.16032	2.2
231.13907	2.5
245.15506	1.3
247.13306	1.3
247.17049	18.3
247.19656	1.9
247.20540	1.7
249.15102	2.1
251.16556	6.6
252.75731	1.1
259.09943	1.3
263.16370	1.3
265.11575	1.3
265.14420	3.8
265.18124	2.0
273.15018	2.6
277.10770	1.7
291.16010	19.6
291.19641	21.3
292.16327	1.7
309.17053	100.0
309.20654	20.1
310.17456	7.3
310.20621	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.5
57.03194	2.1
57.03448	23.5
59.01379	38.7
60.99310	1.7
61.62494	1.4
63.09010	1.5
63.66372	1.4
69.03440	5.4
69.26830	13.8
71.01363	3.9
71.05000	7.7
81.03457	40.4
81.19951	1.4
83.05016	2.9
84.02177	3.8
85.02946	6.1
87.58569	1.4
95.05032	4.8
96.96004	1.9
97.02929	6.0
97.06586	4.3
98.03741	15.3
98.20719	2.9
99.04519	43.3
107.05017	5.8
109.02953	2.0
109.06590	2.1
115.04009	17.2
121.06588	2.0
123.08167	37.4
125.06070	6.9
133.02940	1.7
134.03755	3.4
137.09715	9.9
149.09685	1.9
152.67525	1.5
165.12831	5.7
177.01974	2.2
177.12871	3.7
203.14442	3.7
205.12300	2.0
205.15984	2.5
207.09215	1.5
209.11810	33.6
221.15445	3.6
222.24304	1.7
229.16064	2.9
229.18146	1.8
231.13805	2.4
247.17055	15.5
249.14888	2.0
265.14618	9.4
265.18030	12.6
291.16022	16.6
309.17050	100.0
310.17447	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	309.1191
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
53.81558	0.9
54.99653	0.9
55.01874	1.0
57.03425	1.2
58.00591	3.3
59.01380	99.4
66.28196	1.0
69.26340	7.4
69.33727	0.9
71.01382	51.3
72.99298	4.1
73.02955	1.2
74.07939	0.9
74.71542	0.8
83.01398	1.9
85.02953	11.1
87.00864	1.5
87.80056	1.0
89.02444	56.8
90.02782	1.0
95.01389	3.3
101.01795	1.9
101.02448	33.2
113.02459	20.1
119.03514	25.9
129.05582	2.4
131.03505	1.2
143.03482	2.9
145.00328	1.1
147.06627	1.6
161.04604	1.7
179.05641	3.3
191.94696	1.0
215.04979	1.0
309.04291	2.5
309.11902	100.0
310.12329	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28168	0.4
58.76025	0.5
59.01379	1.3
61.26088	0.5
70.83320	1.3
71.01379	10.1
72.99315	3.4
87.00882	3.9
94.25282	0.5
96.96014	4.7
98.95618	0.6
109.02947	0.5
115.00391	2.6
129.01929	0.5
132.02136	1.5
133.02956	27.3
134.03682	0.5
135.04532	7.7
147.02997	6.4
161.02440	100.0
162.02809	3.8
167.39459	0.5
179.02148	0.6
179.03522	4.1
200.57446	0.5
309.13751	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	309.1188
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
55.01867	1.6
56.12863	0.9
57.03424	0.9
58.00589	2.8
59.01377	98.3
62.08299	0.8
63.39331	0.8
69.60075	5.2
71.01380	41.6
72.99296	4.1
73.02937	2.2
75.67286	0.9
83.01371	2.6
85.02943	8.5
87.00877	1.7
89.02441	53.3
95.01374	4.0
96.96974	1.1
98.19897	1.6
101.02437	28.8
111.04550	1.9
113.02451	18.6
115.38137	0.9
119.03497	26.8
120.80569	0.9
124.85979	0.9
128.03506	1.6
129.01926	1.4
129.03947	1.3
129.05597	5.3
131.03514	1.8
143.03535	1.3
147.06622	2.4
161.04527	1.9
173.04570	1.0
179.05562	3.0
191.05568	1.3
249.00192	3.3
309.04147	3.7
309.11880	100.0
310.12131	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	309.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04676	1.0
56.08049	1.1
56.45199	0.9
59.76358	1.0
65.45655	1.1
68.72214	1.1
69.72058	6.4
71.01385	19.5
72.99300	1.8
75.52728	1.0
88.57951	1.0
89.02480	1.7
89.03967	2.0
91.37806	1.1
96.00368	1.1
115.00375	38.4
117.03482	4.2
122.35564	1.1
128.60754	1.4
133.01437	83.6
134.03749	100.0
135.04095	3.3
149.06070	2.9
175.00929	1.1
187.07619	1.1
193.05063	74.9
194.05411	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	308.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82794	0.2
58.39921	0.3
59.01394	0.6
60.08246	0.2
68.05035	0.3
69.91149	1.6
81.04572	5.2
81.36636	0.3
88.93830	0.3
95.14276	0.3
96.96041	0.4
101.63892	0.3
109.07710	2.0
122.06988	0.3
156.08157	0.6
172.11317	7.3
173.09782	0.3
182.37640	0.3
264.11334	0.7
278.13031	0.8
280.14545	4.2
290.18518	0.5
292.14542	36.8
293.15024	4.8
308.17654	100.0
309.17899	7.1
309.20514	0.4
325.14310	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	309.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45757	0.9
58.84461	0.9
61.94916	0.9
71.01382	23.2
75.02126	0.9
80.58155	0.9
80.60854	0.9
89.04002	1.4
97.99056	1.0
108.55167	1.1
115.00366	9.5
117.03460	8.1
133.01439	6.5
134.03743	91.9
135.04086	3.2
137.02422	1.8
149.06052	9.7
164.14229	0.9
178.02643	5.9
193.05049	100.0
194.05383	3.9
309.13745	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1914
Annotation	14,15,-Bisnor-8(17)-labdene-16,19-dioic acid
Peak:m/z	Relative Intensity
57.03448	9.5
59.01373	9.7
59.94424	2.0
65.82918	2.0
69.03449	2.9
70.15227	6.1
70.75924	2.0
71.01382	8.1
83.05032	3.7
95.05050	4.2
97.02939	2.2
97.06590	14.4
98.03751	2.9
98.20557	2.6
100.60095	2.1
109.02865	1.9
109.06606	4.7
111.08167	10.2
121.06601	2.0
123.04502	1.8
125.09731	5.1
127.11303	2.0
131.06023	2.3
133.06520	2.7
134.75989	1.9
135.08101	2.4
137.09679	2.7
149.09724	4.7
151.11295	21.8
153.09164	3.9
153.12845	2.2
155.10785	12.6
163.11261	5.6
165.12865	19.4
167.10779	4.3
169.12335	3.1
169.94316	1.8
174.91051	1.8
177.12802	3.3
179.10794	6.1
181.12341	23.8
191.10751	9.8
191.14401	9.0
205.12308	4.2
209.11819	45.7
211.13309	9.7
224.10466	3.5
235.20485	2.1
239.09222	3.5
245.19087	31.8
246.19460	2.1
263.20148	14.2
274.98584	2.3
275.09216	3.3
279.19565	5.1
289.18079	46.3
290.18515	2.3
307.19141	100.0
308.19464	8.2
318.27133	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	307.2281
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
51.49913	0.3
56.67939	0.3
59.01379	0.6
71.01394	0.3
71.52560	0.4
80.96580	0.3
81.24261	0.3
96.96026	0.3
114.96386	0.3
179.03177	0.3
206.27568	0.4
307.22769	100.0
308.23090	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	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	11.2
59.01367	10.4
64.70610	2.2
67.14539	2.0
69.03447	2.4
69.38625	1.9
69.38955	18.6
71.01375	10.7
71.04984	3.1
71.10670	2.5
81.03445	4.4
83.05019	5.5
85.02948	4.1
88.22635	2.2
93.03412	3.3
95.05058	4.2
97.06575	24.8
107.08599	2.3
109.02905	3.0
109.06596	5.1
111.08169	11.7
121.06572	2.8
123.03329	2.5
123.04539	3.1
123.08149	2.8
125.09702	6.9
127.11234	2.8
134.03732	2.1
135.08189	2.7
137.06033	3.1
137.09688	3.4
147.11844	2.7
149.09663	6.0
151.07637	2.8
151.11305	22.9
153.09209	5.0
153.12874	4.0
155.10800	18.4
163.11284	8.2
165.12840	29.1
167.10829	5.4
169.12286	4.2
177.01987	2.6
177.12828	4.8
179.10744	6.8
181.12344	29.5
185.11919	3.7
191.10809	12.1
191.14442	11.2
195.10225	2.4
197.11919	2.7
201.39726	2.6
205.12331	3.5
209.11836	54.1
209.13779	3.3
210.12070	3.3
211.13426	11.1
224.10577	3.9
225.11209	2.4
239.09261	2.8
245.19127	41.3
263.20102	8.9
271.17096	4.2
279.19623	8.8
289.18106	43.2
307.13614	5.4
307.19135	100.0
308.19461	10.3
308.22952	2.4
320.16379	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	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31215	0.6
53.76776	0.6
55.01856	1.0
57.03440	5.2
59.01329	6.9
61.98763	0.7
63.48491	0.7
65.03934	0.7
67.01865	1.5
67.05489	0.8
69.03401	2.6
69.20500	6.4
71.01340	2.3
71.04983	0.9
73.02873	1.4
73.72576	0.6
74.51977	0.6
79.95701	3.0
80.02621	2.8
81.03448	6.2
83.01386	7.4
83.05028	3.5
85.02905	1.4
89.02399	0.7
93.03405	2.4
95.01340	1.0
95.05029	3.5
97.02952	5.9
97.06594	11.9
101.02387	0.9
105.03413	0.9
106.04196	1.9
107.04988	1.0
109.02902	1.1
109.06544	2.6
111.08144	1.1
117.04327	0.7
119.08604	1.8
121.06535	2.6
123.03780	0.8
123.04531	9.9
123.08186	4.5
125.06049	1.3
125.09730	15.8
135.04486	1.1
135.08130	2.9
136.05254	1.5
137.06052	2.0
137.08800	0.9
137.09737	11.8
141.12843	3.2
149.06059	2.2
149.09669	1.3
150.10484	0.7
151.11203	2.0
153.12729	0.6
160.08960	0.9
161.04509	1.6
161.09691	1.8
162.10492	1.0
163.07614	2.4
163.11299	16.4
164.08351	0.9
165.09148	2.1
165.12788	2.9
167.10794	1.7
171.10255	1.8
171.25574	0.6
173.09721	0.9
174.10349	0.9
175.11235	0.8
177.09183	0.6
177.12831	2.1
179.10739	3.0
181.12320	5.5
185.11829	23.1
189.12875	1.1
191.10756	3.5
191.12796	1.0
191.14420	18.6
192.14740	0.9
202.13585	0.8
203.14240	0.7
205.12091	0.8
207.10242	11.0
209.11833	32.9
210.12125	1.5
211.13364	2.1
217.15965	2.3
219.13853	0.9
225.11314	10.3
226.11877	1.3
227.18018	0.9
233.15550	0.9
243.17564	0.9
245.19102	40.5
246.19414	3.0
247.16855	0.9
261.18604	1.1
263.20132	4.1
271.16989	4.6
275.09296	1.3
279.19653	1.2
287.16287	1.0
289.18088	100.0
290.18469	5.5
307.13986	3.7
307.19153	55.8
307.22479	2.4
308.19183	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	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31116	1.7
57.03438	4.7
59.01375	12.7
69.03448	2.1
70.92618	3.7
71.01376	5.9
73.02921	2.7
79.76853	1.6
80.02646	2.4
81.03446	5.1
81.99369	1.5
83.01391	5.0
83.05023	3.6
83.52441	1.4
85.02932	2.3
89.49661	1.5
95.05022	3.8
96.96021	2.3
97.02953	5.7
97.06562	7.6
101.02431	1.9
105.03465	2.1
109.06569	3.1
110.03637	1.6
113.91533	1.6
119.08669	2.0
121.02943	1.8
121.06627	3.5
123.04532	9.8
123.08121	4.9
125.06039	2.3
125.09711	12.8
133.02951	2.1
135.04564	1.7
135.08130	2.6
137.06105	2.3
137.09712	9.7
141.12804	2.6
142.02689	2.0
145.02850	1.7
149.02429	2.1
149.06059	2.1
161.04541	4.3
161.09810	1.7
163.07686	3.2
163.11314	14.0
165.12848	2.1
171.10234	2.7
176.01141	1.6
177.01938	3.2
179.10626	2.5
181.12355	2.9
185.11819	17.4
187.11436	1.6
191.10629	2.6
191.14429	16.0
203.10356	1.5
207.10220	9.1
209.11824	20.2
210.12125	2.6
217.12111	1.4
217.15834	2.0
221.15163	1.4
222.23996	1.5
225.11282	9.6
226.11961	1.7
245.19072	37.8
246.19344	2.6
247.17041	1.7
259.79282	1.5
271.17032	4.5
275.09274	3.9
289.18091	100.0
290.18527	8.0
307.10251	3.4
307.13562	5.2
307.19131	62.1
308.19495	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	307.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.0
69.23054	3.6
71.01385	0.5
74.99067	5.9
85.02982	0.4
91.02223	2.5
93.00124	1.7
96.99357	0.4
102.98248	0.4
113.89237	0.3
128.22342	0.3
145.03008	0.4
149.00911	2.1
159.08467	5.8
161.04503	0.5
161.06381	1.4
192.98091	0.6
206.99660	1.5
209.01263	2.2
217.07181	0.7
223.02824	46.9
224.02864	3.4
241.03860	0.5
289.07578	1.8
291.09094	100.0
292.09219	8.9
306.85391	0.4
307.12311	2.5
307.22772	0.6
309.10272	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1917
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
57.03450	0.5
59.01376	4.2
69.03449	0.5
71.01375	1.6
71.05025	6.1
73.02968	0.9
78.93361	0.5
80.02681	0.8
81.03440	2.5
83.05025	1.6
85.02940	0.8
95.05032	1.9
95.83901	0.6
96.96027	1.2
97.06607	1.1
98.03748	1.7
98.20659	1.2
101.02420	0.8
105.03442	1.1
106.04244	1.0
107.05054	0.7
109.02959	0.9
109.06592	14.0
110.03682	0.5
110.13493	0.5
111.04530	6.6
111.08165	1.7
112.05244	0.6
120.05823	0.7
121.06591	0.6
123.08179	1.5
127.07618	3.3
133.02892	0.8
137.07683	0.5
137.09697	0.9
143.10744	1.6
145.06567	2.1
149.02420	0.6
149.06105	0.8
149.09778	0.9
151.11220	1.0
161.04538	0.8
165.88342	0.5
167.10782	2.1
177.01987	1.2
177.09174	0.6
179.10771	1.5
183.23125	0.5
191.14270	1.2
195.13892	4.0
207.17622	0.5
235.13403	2.0
245.19084	6.0
249.14967	1.0
251.16451	1.5
261.18466	0.8
263.20142	0.6
266.63626	0.5
271.17087	1.4
275.09265	1.4
287.16385	2.5
289.18088	100.0
290.18475	6.8
307.10809	0.6
307.15637	1.3
307.19131	13.0
308.19485	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.3
59.96740	0.3
60.97508	0.3
74.99072	6.3
75.96225	0.3
91.02209	2.7
93.00135	1.5
143.05342	0.6
149.00937	2.5
159.08464	7.0
160.08803	0.4
161.06415	1.3
192.98135	0.6
206.99683	1.3
207.93329	0.3
209.01260	2.7
217.07245	0.6
223.02829	51.1
224.02910	3.9
241.03877	0.4
274.46548	0.3
275.06110	0.5
289.07510	2.2
291.09091	100.0
292.09207	9.2
307.12323	2.8
307.19315	0.4
307.22876	0.6
308.12228	0.3
309.10046	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39327	0.8
68.63149	0.9
69.74192	4.6
69.74590	2.2
77.03962	2.9
81.03456	1.4
89.03977	5.2
92.06185	0.9
93.03445	1.2
95.05006	1.9
97.06633	1.3
105.03461	62.2
106.03767	1.8
106.92623	0.9
108.02190	5.2
109.02945	15.5
115.56402	1.1
121.02955	13.5
123.04492	1.5
133.02957	34.3
134.03737	4.7
135.04495	4.0
136.01714	5.6
136.90051	0.8
137.02455	9.0
148.01666	14.5
149.02443	32.1
150.03070	1.4
160.05293	1.1
161.02397	4.9
162.03178	2.4
163.04008	8.5
175.07593	1.8
177.01926	68.2
178.02684	15.0
179.03419	2.6
187.07649	1.2
188.04778	2.3
189.05518	1.3
191.03500	1.3
194.05731	1.0
203.07109	7.0
205.08681	1.5
209.04544	22.7
210.05267	3.7
217.04987	1.6
221.68324	1.0
223.05966	0.9
233.08124	2.8
247.09821	1.6
275.09244	100.0
276.09531	5.5
280.07260	0.9
285.94229	1.1
307.11966	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	307.1186
Annotation	11beta-Hydroxycurvularin
Peak:m/z	Relative Intensity
59.01394	0.8
65.15099	0.6
71.01369	0.7
73.02946	5.5
76.68070	0.7
81.03447	0.8
91.05555	0.6
93.03440	1.2
96.96017	0.8
98.03702	0.7
105.03464	1.7
109.02943	1.7
111.08173	0.9
112.30340	0.6
118.04265	1.2
121.02943	3.3
122.45428	0.5
123.00873	0.7
124.01757	0.5
133.02950	2.1
134.03738	2.0
135.04541	1.5
137.02448	5.8
139.03937	0.9
146.03671	0.8
147.04471	1.0
148.05338	1.3
149.02438	22.4
150.03189	3.0
151.00354	1.7
151.03915	0.6
162.03258	4.2
163.03998	3.7
164.01154	0.8
164.04732	0.7
165.09184	0.6
174.03183	0.9
175.11299	1.1
176.01173	3.3
176.04758	3.4
177.01927	47.6
177.09192	2.1
178.02522	2.8
179.03531	1.0
179.07086	1.6
184.86026	0.6
187.11293	0.7
190.02705	11.1
191.03494	3.7
193.08684	1.1
203.10831	3.0
204.04137	0.9
205.08679	27.5
206.09241	2.3
208.03789	3.0
209.04564	1.7
210.05290	1.9
215.06987	0.6
217.01389	2.8
218.02182	13.1
219.02937	0.7
219.10240	2.0
221.08180	1.5
222.01787	3.2
222.05304	8.9
229.08702	1.2
231.10252	4.0
232.10229	0.6
233.08171	17.7
234.08665	0.9
247.09750	7.4
250.04817	58.6
251.05151	2.6
257.08124	1.2
263.16425	0.7
275.09250	21.0
276.09555	1.3
279.12418	1.3
307.11865	100.0
308.12222	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	305.2486
Annotation	5(Z),8(Z),14(Z)-Eicosatrienoic Acid
Peak:m/z	Relative Intensity
59.01379	1.8
69.43880	0.7
69.44308	1.6
71.01364	0.8
75.71098	0.4
83.05022	0.4
87.00886	0.4
88.43340	0.3
89.00339	0.5
98.20692	0.7
110.17754	0.4
116.06390	0.3
117.03445	0.4
127.00336	0.4
127.07590	0.3
148.76154	0.3
160.98737	0.6
196.18736	0.3
232.97206	0.7
261.25821	0.7
275.17410	0.3
287.23801	0.6
305.24847	100.0
306.21860	0.6
306.25208	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	305.2486
Annotation	5(Z),8(Z),14(Z)-Eicosatrienoic Acid
Peak:m/z	Relative Intensity
59.01377	4.9
69.26500	0.5
69.92110	2.7
89.00343	0.7
141.17969	0.6
157.80215	0.5
219.41730	0.5
232.97154	0.7
305.24847	100.0
306.25128	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	306.9756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13507	0.3
57.01569	0.2
59.75829	0.2
59.98947	0.2
61.98829	100.0
63.99233	0.3
65.98007	0.2
69.75609	1.2
79.84882	0.2
89.72919	0.2
98.19930	0.4
121.02959	0.5
161.98990	1.5
162.98470	0.5
163.98647	0.5
164.96390	66.2
165.15160	0.2
165.96474	2.6
176.97585	0.2
187.34120	0.2
197.57741	0.2
206.97441	26.6
207.97545	0.9
306.97534	19.4
307.97614	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1759
Annotation	Corrin
Peak:m/z	Relative Intensity
57.03445	2.1
58.02981	2.5
59.01379	5.1
61.98842	2.1
63.51188	0.9
71.05019	44.8
71.05417	2.3
81.03458	4.1
83.05038	1.6
85.02946	1.1
85.32102	0.9
93.03449	4.0
95.05024	20.4
95.61764	1.0
106.04267	2.2
107.05029	2.5
109.06581	19.9
109.07274	1.8
110.03778	1.2
111.04535	2.8
114.34331	1.1
119.05012	2.0
121.06564	5.4
122.57509	1.0
123.08153	1.9
123.80964	1.0
125.02448	1.1
127.07634	1.8
131.22987	1.1
135.08214	2.7
147.04517	2.1
147.08194	3.9
149.06029	1.7
150.06807	2.1
161.06084	3.8
161.09744	2.4
165.09196	12.4
168.13965	2.6
169.14323	2.8
189.12843	15.3
205.15956	9.5
209.87756	1.1
210.56010	1.2
231.13933	2.5
233.11804	7.9
243.17563	10.3
249.14972	12.5
261.18658	3.3
263.16513	1.7
269.15533	2.7
287.16531	80.6
288.16928	6.0
289.14474	1.2
305.17590	100.0
305.20844	4.2
306.17905	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	305.1758
Annotation	Corrin
Peak:m/z	Relative Intensity
53.96161	1.0
55.01862	1.6
57.03425	3.5
59.01369	4.0
65.03941	4.1
69.03394	1.1
71.01369	2.8
71.05016	9.0
71.06657	2.2
76.05045	1.2
79.05533	11.8
83.05029	2.4
87.00839	1.5
95.05002	1.4
97.06586	14.8
99.00855	1.3
106.04250	8.8
107.05040	2.6
108.02167	1.5
109.06577	2.4
113.02483	1.1
117.07121	2.9
119.04992	1.4
120.05820	5.8
121.06567	3.4
123.08134	6.0
125.06039	1.2
125.09711	20.1
133.02937	2.8
133.06566	1.5
135.04578	6.9
135.08160	100.0
136.08450	4.5
136.68250	1.3
137.09708	2.1
151.11256	2.7
153.09134	1.4
160.98787	1.6
161.02374	3.6
161.06042	1.2
163.11276	1.5
166.12007	1.0
169.01447	1.1
179.03448	2.5
183.10211	2.6
185.11821	2.0
189.12787	2.0
205.15976	6.2
207.10248	1.3
209.11812	1.9
211.13246	1.2
215.85867	1.1
221.11749	1.5
231.13869	1.2
247.12912	1.1
249.14946	45.9
250.15170	3.0
262.99969	1.2
263.16626	1.2
269.15341	1.4
276.06265	1.3
277.18042	1.7
287.16409	10.9
305.08218	3.7
305.13974	8.3
305.17517	78.3
305.20914	2.7
305.63934	2.4
306.17868	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	305.1063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70636	0.9
59.01352	0.9
60.25805	0.7
66.23338	0.8
70.00597	2.9
74.02454	0.9
79.95733	21.7
92.07171	0.8
96.59764	0.8
96.96009	100.0
98.20542	1.2
122.97611	1.4
128.03539	1.2
131.78067	0.7
143.04610	1.5
152.08435	1.6
162.59174	0.7
163.56616	0.8
164.88240	0.8
216.68506	0.8
261.11172	1.6
305.10614	88.5
306.07675	1.2
306.10953	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	305.1063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70636	0.9
59.01352	0.9
60.25805	0.7
66.23338	0.8
70.00597	2.9
74.02454	0.9
79.95733	21.7
92.07171	0.8
96.59764	0.8
96.96009	100.0
98.20542	1.2
122.97611	1.4
128.03539	1.2
131.78067	0.7
143.04610	1.5
152.08435	1.6
162.59174	0.7
163.56616	0.8
164.88240	0.8
216.68506	0.8
261.11172	1.6
305.10614	88.5
306.07675	1.2
306.10953	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	305.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	15.2
70.38239	11.4
71.01368	14.7
73.02956	8.1
77.29187	8.1
81.03419	14.5
93.03460	11.1
95.05042	9.9
96.96014	10.2
97.06567	19.7
104.02669	43.2
105.03451	11.0
107.05031	8.9
108.02206	11.5
109.02964	7.4
117.03457	8.1
119.01371	10.6
119.05037	10.6
120.02106	7.9
121.02954	61.1
123.04488	11.1
125.38305	7.4
133.02983	58.3
134.03674	15.8
135.00908	67.7
135.04509	16.7
135.08224	7.2
137.02371	7.1
147.00868	8.4
147.04494	8.4
148.01671	68.8
148.05243	9.8
149.02400	33.2
150.03191	7.4
161.02412	33.4
162.03194	51.0
163.04015	14.1
172.05231	9.6
174.03186	12.2
175.00308	10.0
175.07532	7.4
176.01201	36.4
177.01918	64.6
178.02528	6.9
179.03485	32.4
189.01895	20.7
190.02684	25.6
191.03470	14.2
198.27498	7.0
201.09146	22.3
203.07063	15.6
207.02939	42.9
208.03789	95.5
209.04495	16.9
209.11868	37.9
215.07178	11.6
216.04317	9.5
217.08653	33.0
218.09462	15.1
222.05289	27.7
223.05878	10.9
227.07019	20.5
229.08690	15.8
233.08081	8.4
245.08212	91.8
249.11415	9.7
255.06644	22.3
261.14969	17.1
273.07681	100.0
274.08102	8.6
277.10901	77.4
287.09332	9.0
305.10757	88.9
305.13907	11.9
305.17404	56.2
306.10901	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	305.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41905	6.8
54.18357	7.3
59.01380	21.4
61.73882	6.0
61.98832	9.7
71.01388	35.4
72.99290	7.5
73.02962	9.1
78.14187	7.8
83.76880	6.6
87.00851	6.6
93.03459	12.1
97.06575	10.3
104.02682	30.8
107.05002	8.5
108.02184	16.6
109.02938	16.9
115.00402	7.5
117.03503	10.1
119.01402	8.7
119.05027	15.7
121.02949	54.1
122.03767	7.2
123.04512	7.8
133.02982	43.2
134.03740	15.8
135.00887	61.6
135.04544	12.5
145.02922	16.0
147.00899	11.3
147.04477	9.0
148.01682	55.8
149.02444	33.5
161.02426	27.8
162.03232	43.9
163.03972	14.1
173.09593	9.1
175.00348	9.5
175.04008	14.2
175.07652	12.5
176.01143	14.3
177.01926	62.0
179.03484	32.4
183.08229	7.3
189.01904	15.2
189.09180	58.9
190.02701	15.9
191.03418	17.9
201.09201	25.4
203.07227	7.6
207.03014	55.9
208.03728	74.8
209.04504	18.8
217.08694	39.2
218.09196	10.4
222.05287	19.4
223.06107	19.1
227.07133	10.3
229.08690	16.8
244.07500	9.2
245.08194	87.4
255.06563	19.9
273.07657	100.0
277.08447	7.1
277.10983	70.3
305.07837	31.0
305.10303	60.0
305.17538	23.6
306.11237	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	304.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60936	0.2
58.02974	40.7
59.03300	0.3
70.80410	0.6
79.26411	0.3
104.08394	0.3
117.63356	0.3
135.04529	0.5
168.13933	100.0
169.14301	4.0
186.14005	0.3
212.12883	2.5
239.63280	0.3
288.03012	0.3
295.31183	0.3
304.13324	0.5
304.19165	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00576	1.8
59.01108	3.5
59.01380	43.8
71.01010	3.5
71.01382	56.1
73.02924	2.5
73.16759	2.0
81.07086	3.3
85.02950	10.7
85.87665	2.0
86.02460	2.5
88.04037	100.0
89.02441	27.0
95.01400	2.0
98.02442	2.1
98.20705	3.0
101.02439	17.2
113.02433	9.2
114.01965	6.6
115.00368	56.3
116.05070	8.2
119.03519	12.4
125.06113	3.6
128.03516	1.7
128.05051	9.1
131.03632	2.8
132.03032	54.7
132.04547	5.7
135.04558	2.2
143.04572	3.4
143.07156	4.0
144.03392	2.2
144.04556	58.2
146.06119	72.1
162.05635	5.8
171.05574	10.9
172.04019	22.4
189.06688	92.0
190.05084	24.4
190.06743	2.9
219.10602	3.0
243.07872	2.3
261.08847	35.0
261.11304	4.1
262.09131	2.4
287.06653	5.6
300.54172	2.3
305.07727	78.8
305.12726	14.9
306.07944	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	303.2328
Annotation	Arachidonic Acid (peroxide free)
Peak:m/z	Relative Intensity
50.27073	0.4
50.96315	0.5
57.18181	0.5
59.01383	13.9
71.01386	0.8
81.03451	0.9
83.05025	1.0
96.91010	0.5
97.06526	0.5
130.99124	0.5
156.07658	0.5
164.17978	0.4
168.13960	0.9
187.94832	0.5
205.19647	2.0
215.74182	0.5
230.99129	0.7
259.24261	9.5
273.57724	0.5
285.22165	0.6
303.23282	100.0
304.23621	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	304.0011
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.5
60.01712	0.5
61.98828	100.0
70.68485	0.7
73.62265	0.3
86.33353	0.3
90.79221	0.3
133.94699	0.4
134.62004	0.3
155.52269	0.3
159.01561	0.4
160.01631	1.1
161.01219	1.8
161.98938	20.0
162.99025	1.2
173.87776	0.3
203.99983	4.2
204.89680	0.5
205.00034	0.5
263.35117	0.4
263.84906	3.1
264.34842	1.2
264.84821	1.6
303.82776	5.1
303.99997	11.7
304.02756	0.8
304.32681	1.4
304.82486	1.4
305.00208	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.0661
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	3.1
69.49129	10.9
71.01375	8.4
78.95910	2.3
93.03456	9.0
94.03790	4.6
99.05689	2.4
100.04021	2.6
110.02467	3.2
121.02933	6.3
122.03272	5.4
122.72968	1.9
134.04697	4.2
139.04024	88.7
140.04356	100.0
141.04457	3.1
182.09312	2.6
186.12511	5.6
284.12439	9.9
293.66354	2.3
302.09836	6.1
302.13474	3.0
302.21991	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	303.233
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	4.7
67.61165	0.9
71.01375	2.2
79.95753	1.2
107.56151	0.9
113.78698	1.2
155.47310	1.0
182.12639	0.9
195.13867	1.1
259.24261	2.7
303.23279	100.0
304.23605	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	303.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27437	1.4
59.01384	8.2
69.51233	2.8
69.51640	8.0
80.20978	1.5
81.16159	1.7
108.98010	1.5
124.98600	1.7
128.77028	1.5
205.19595	3.2
259.24323	11.6
294.50180	1.6
298.12729	1.9
303.23288	100.0
304.23608	7.4
328.67328	1.4
328.72415	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1659
Annotation	Viridamine
Peak:m/z	Relative Intensity
60.97486	0.9
62.42404	0.4
69.86422	2.1
72.72346	0.4
74.99081	0.9
82.96663	0.5
85.37339	0.4
90.86794	0.4
91.33828	0.4
118.96255	1.6
134.99402	6.5
136.97316	1.3
141.07417	0.7
143.05327	1.8
159.08449	1.6
161.06378	4.5
203.05609	3.2
205.03575	1.2
215.05659	0.9
217.07196	81.6
218.07310	5.5
255.90408	0.5
268.47964	0.4
283.11917	0.9
285.13455	31.9
286.13608	2.4
301.16592	100.0
302.16806	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2172
Annotation	5,6-dehydro Arachidonic Acid
Peak:m/z	Relative Intensity
52.87803	1.1
57.68199	1.1
59.01102	1.7
59.01380	19.6
69.35886	9.5
71.01376	1.9
83.05029	1.8
119.70553	1.0
120.33867	1.1
145.02956	1.3
149.13414	1.7
154.54027	1.0
177.09004	1.1
185.02356	2.4
203.18068	6.0
223.16963	1.4
229.01427	2.2
257.00961	2.4
257.22736	28.7
258.23190	2.5
260.63260	1.2
283.99466	3.5
288.61029	1.1
300.99918	33.0
301.03342	1.6
301.21707	100.0
302.00165	2.5
302.22064	8.3
307.58340	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1116
Annotation	Pyronine Y
Peak:m/z	Relative Intensity
59.01403	0.7
61.98812	0.7
66.45367	0.5
79.95736	50.7
80.96518	38.4
92.66718	0.4
93.49492	0.5
96.96009	36.2
101.02455	0.6
123.00886	0.6
145.02991	0.7
151.00354	0.6
153.46428	0.5
160.16411	0.5
161.02457	1.5
162.03186	2.1
167.59593	0.5
182.28273	0.5
184.85229	0.6
185.02457	0.8
215.09024	1.1
245.01070	0.7
269.13794	1.5
272.10645	0.9
283.99619	1.4
291.30240	0.6
299.99069	1.0
300.99902	17.6
301.11145	100.0
301.16138	4.1
301.21667	9.0
302.00250	1.1
302.11478	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	301.0934
Annotation	Tachioside
Peak:m/z	Relative Intensity
55.17900	0.4
59.01373	1.6
61.98826	0.7
69.25946	1.8
69.26371	1.8
71.01386	2.4
73.02937	0.5
78.95872	0.7
83.01420	0.5
93.03461	6.6
94.03776	0.5
95.01401	1.4
96.96011	1.2
96.96986	0.6
109.02936	0.5
113.02493	0.4
115.00372	0.9
116.98744	0.6
121.02961	8.2
123.00890	16.2
123.04524	0.4
124.01738	0.9
132.98204	0.7
133.01404	1.1
137.02448	1.6
138.03239	10.6
139.04013	100.0
140.04356	2.8
143.00183	0.6
149.02419	0.4
158.99748	2.0
161.04602	0.5
165.01952	0.9
166.02661	0.4
170.96117	1.9
175.97168	0.5
181.05067	1.2
184.97661	0.7
186.96455	0.4
196.97589	2.9
212.97173	1.3
213.09196	0.4
221.02867	0.5
222.28473	0.4
229.09906	0.4
240.96861	0.5
284.12561	0.9
300.99399	4.4
301.09314	2.6
301.16403	1.7
301.21713	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1115
Annotation	Pyronine Y
Peak:m/z	Relative Intensity
54.38972	1.1
57.03444	1.4
59.01377	18.3
60.97242	1.8
60.97530	23.0
69.03472	1.4
69.67510	5.0
69.67944	3.2
71.01379	4.7
80.73507	1.2
83.05026	1.4
88.91653	1.3
89.97807	15.1
90.98594	100.0
96.96001	2.7
103.02199	1.6
133.10210	1.4
135.11777	5.5
147.11816	3.5
149.13377	3.5
161.13350	2.8
167.08946	2.2
179.09044	3.5
179.10704	2.7
181.12355	2.6
191.10706	1.8
193.12337	9.6
195.12138	3.1
198.27513	1.3
199.47731	1.3
205.12314	5.4
209.11856	14.3
211.13457	2.0
213.13118	8.5
223.07899	4.2
223.13406	18.8
239.11119	5.3
245.01190	1.4
257.12170	24.3
283.10107	3.5
283.99393	1.6
300.99918	14.4
301.11145	95.8
301.21506	5.5
302.11362	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	300.1605
Annotation	Cephalezomine M
Peak:m/z	Relative Intensity
69.03469	1.4
70.64972	0.4
70.65298	0.6
86.83473	0.3
120.48685	0.3
138.05566	0.7
145.06575	2.2
157.70932	0.3
186.09267	0.5
198.09279	1.8
212.10861	0.4
214.08725	39.5
215.09038	2.0
225.12866	0.5
226.12605	0.4
227.09483	0.4
240.10236	2.7
250.12373	0.6
268.13394	23.7
269.13754	1.9
300.16028	100.0
300.99847	1.6
301.16394	7.6
301.21689	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
65.31414	0.2
69.03451	1.2
69.72821	0.3
69.73230	0.9
71.01374	0.3
98.20646	0.2
123.03256	0.4
129.07072	0.2
138.04544	0.4
138.05609	5.6
143.08658	0.3
145.06580	2.3
186.09218	0.5
198.09250	2.1
207.11888	0.2
212.10785	0.4
214.08731	36.3
215.09032	2.0
225.12842	0.6
226.12317	0.5
227.09456	0.3
238.58536	0.2
240.10303	3.0
241.10626	0.2
250.12376	0.3
268.13419	24.9
269.13736	1.8
300.16028	100.0
300.99915	0.8
301.16379	7.4
301.19781	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27690	0.2
61.34071	0.2
69.03465	1.2
70.78120	0.3
70.78487	0.7
80.79389	0.2
84.57065	0.3
86.06683	0.3
109.14712	0.3
137.59129	0.3
138.05638	1.1
143.08711	0.4
145.06587	2.8
186.09280	0.3
198.09235	2.3
212.10735	0.5
214.08725	39.7
215.09096	1.9
225.12782	0.5
226.12410	0.6
240.10242	2.2
250.12439	0.4
261.53833	0.2
268.13409	26.5
269.13718	2.0
300.16025	100.0
301.16357	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0265
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	92.7
60.01720	0.6
61.98832	0.9
69.94885	1.5
76.72112	0.3
77.23504	0.3
88.77607	0.3
114.98894	0.8
115.02517	11.9
116.98650	0.6
117.00443	7.8
138.00381	0.3
141.00398	0.4
142.06044	0.3
143.16039	0.3
149.25092	0.3
156.93098	0.5
156.99951	1.2
157.03575	2.5
157.90843	0.6
159.01492	100.0
159.90567	0.4
159.97377	0.6
160.01620	5.8
166.59946	0.3
174.99414	0.6
193.01245	0.3
194.71053	0.4
201.02548	24.2
202.02696	1.2
217.00537	1.1
257.03848	0.4
259.01569	3.4
283.01630	0.4
301.02664	46.8
301.16254	0.6
301.21771	2.4
302.02786	5.9
302.08710	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1603
Annotation	O-Methylmaritidine
Peak:m/z	Relative Intensity
53.82831	0.3
58.62568	0.3
68.01408	0.4
69.03450	1.3
70.79896	0.3
70.80222	0.6
70.87017	0.3
77.27370	0.3
80.45535	0.3
97.23899	0.3
129.07146	0.3
145.06569	2.5
184.89897	0.3
186.09204	0.4
198.09189	1.7
207.11868	0.3
214.08722	40.1
215.09021	1.0
221.57304	0.3
222.73703	0.3
225.12816	0.6
226.12555	0.3
240.10312	2.5
250.12279	0.4
268.13409	23.3
269.13718	1.5
300.16031	100.0
301.16348	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	300.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31977	0.3
59.01368	0.3
65.96832	0.2
69.03457	1.6
71.01393	0.3
74.06102	0.3
78.95913	1.0
82.36254	0.3
96.97007	0.4
106.01489	0.3
109.19073	0.3
119.05048	0.3
138.05621	1.3
143.08769	0.3
145.02917	0.6
145.06584	2.4
173.02478	0.3
185.02486	0.6
186.09283	0.5
198.09181	1.8
207.11856	0.4
212.10899	0.3
214.08731	37.9
215.09058	2.2
223.11237	0.5
225.12766	0.6
226.12360	0.5
227.09564	0.5
229.01614	0.3
237.37880	0.3
240.10345	2.6
250.12296	0.6
268.13409	24.8
269.13788	1.5
283.99570	0.5
299.99124	0.9
300.16028	100.0
300.99881	9.6
301.03397	0.4
301.16370	7.8
301.21851	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00332	0.5
59.01384	2.5
68.01414	3.3
69.20659	1.8
71.01382	0.9
72.99308	0.2
77.18809	0.2
87.00910	0.2
89.02484	0.2
94.06609	0.3
95.05033	0.3
96.04564	0.5
103.48213	0.2
109.01707	0.3
109.02988	0.2
110.02534	0.2
110.06154	0.5
116.70073	0.2
118.97227	0.2
118.98065	0.2
119.05028	0.8
119.49564	0.2
120.04562	0.3
120.05357	0.7
121.05284	0.2
122.02473	0.9
122.06088	0.4
123.03265	6.1
124.04063	0.3
124.07697	0.7
134.03717	0.4
135.01213	0.6
136.07715	0.5
137.04863	1.0
138.05611	100.0
139.05956	2.8
139.07594	0.3
149.06075	0.4
150.05571	0.3
152.03502	0.3
152.07175	2.4
166.08728	0.5
167.05846	2.0
168.06653	0.7
180.06660	5.6
192.06699	0.2
210.07756	0.6
240.08755	0.2
259.06128	0.2
268.13589	0.2
300.10880	13.8
300.16147	0.5
300.99850	0.5
301.07388	0.3
301.11240	0.9
322.49704	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00337	0.6
54.82940	0.2
59.01385	2.2
68.01408	3.0
69.57384	1.1
70.02949	0.2
71.01376	0.5
80.50182	0.2
94.03014	0.3
95.05029	0.4
96.04545	0.5
108.08211	0.3
109.01710	0.2
110.06116	0.3
114.15442	0.2
122.02486	0.7
122.06113	0.3
123.03274	6.1
124.04063	0.4
124.07705	1.1
124.24190	0.2
135.01115	0.3
136.07666	0.6
137.04845	1.1
138.05609	100.0
139.05988	2.2
140.07104	0.2
149.61469	0.2
150.05515	0.2
152.03455	0.4
152.07181	1.7
166.08768	0.4
167.05879	2.4
167.29152	0.2
168.06644	0.4
171.59872	0.2
180.05182	0.4
180.06657	4.6
191.15231	0.2
210.07712	0.7
213.51071	0.2
240.08876	0.3
300.10870	15.7
301.11084	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61068	0.2
67.95856	0.2
69.03454	1.5
69.87471	0.7
69.87863	0.6
80.39803	0.2
93.46578	0.2
98.20541	0.4
101.10143	0.3
126.15147	0.3
129.07169	0.3
138.05597	2.9
145.06583	1.9
168.85349	0.3
174.44151	0.3
186.09152	0.5
198.09274	2.0
207.11674	0.3
210.47343	0.3
212.10953	0.4
214.08728	38.4
215.09088	2.1
225.12872	0.5
226.12408	0.5
238.08653	0.3
240.10269	2.9
250.12325	0.4
268.13412	24.5
269.13721	2.1
300.16034	100.0
300.99796	0.4
301.16382	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	299.1864
Annotation	Achaetolide
Peak:m/z	Relative Intensity
50.59646	0.6
55.01845	0.7
55.46268	0.5
57.03441	3.4
57.48008	0.6
58.00600	0.5
59.01369	3.0
60.18939	0.5
69.03448	1.7
70.84035	0.9
70.84348	0.6
71.01381	2.4
71.04994	0.8
73.02930	0.7
81.03436	0.7
83.05020	1.8
84.02187	0.9
84.96499	0.5
85.02939	9.0
90.43137	0.6
95.01395	0.8
95.05013	2.4
95.13921	0.6
97.02991	0.8
97.06587	11.9
99.08173	4.4
105.03375	0.7
109.02948	0.6
109.06599	1.3
110.03757	0.6
121.06590	1.3
123.04518	0.5
125.06091	2.1
127.07698	0.8
127.11295	1.6
137.02408	0.7
137.09724	3.8
138.05565	0.8
139.07655	1.0
139.11287	3.9
143.07138	17.4
146.03708	0.6
149.09744	3.8
150.03198	1.9
155.10776	5.9
157.08679	1.6
165.09207	1.3
167.10786	0.8
169.08752	0.7
175.07616	0.9
177.87869	0.6
181.08696	1.9
183.10258	19.0
193.08673	2.2
197.02753	1.3
201.11314	11.0
207.10216	1.2
211.09781	1.4
214.08803	0.7
215.00273	0.8
219.17496	2.4
222.35971	0.5
239.03590	0.7
263.16385	4.3
281.17612	1.3
284.03134	1.1
299.05594	2.4
299.09326	8.4
299.18607	100.0
300.15875	1.9
300.18951	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	299.2589
Annotation	DL-2-hydroxy stearic acid
Peak:m/z	Relative Intensity
56.92181	0.2
59.01369	0.5
76.34702	0.3
78.56847	0.3
85.38834	0.2
91.53205	0.3
98.19885	0.7
99.00903	0.2
101.60210	0.2
111.61963	0.2
138.05615	0.6
141.12877	3.2
145.06532	0.2
160.05554	0.3
185.00743	0.4
214.08687	2.9
240.10263	0.4
253.25346	1.5
268.13504	1.8
271.22839	0.8
281.24811	2.0
297.24332	1.1
299.15250	1.2
299.20609	16.1
299.25885	100.0
300.16013	9.9
300.20367	1.5
300.26215	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	300.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51371	0.2
59.01378	1.6
68.01409	0.5
70.13917	0.2
71.01382	1.4
71.43315	0.5
72.01728	0.2
72.47463	0.2
89.02438	0.8
89.75265	0.2
95.05006	0.2
101.02472	0.6
108.08187	0.2
109.02939	0.2
113.02477	0.3
115.00351	0.3
119.03484	0.3
119.05000	1.0
120.04616	0.2
120.05350	1.1
122.02497	0.4
123.03264	10.3
124.07658	0.2
128.03522	0.3
133.01442	0.4
135.01230	0.8
135.41258	0.2
136.01540	0.4
136.07671	0.2
137.04822	0.7
138.05609	100.0
139.05977	2.6
145.02922	0.3
151.03986	0.4
152.07169	0.6
163.04042	0.3
163.74940	0.2
165.04265	0.5
167.05869	0.5
180.06665	1.8
214.08795	1.3
237.05597	0.3
238.06123	0.2
253.05144	0.2
255.06615	1.5
268.13513	0.6
285.10135	1.0
300.11072	4.3
300.16068	2.7
301.00183	0.9
301.21805	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0902
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	25.9
69.49528	30.6
69.49950	17.3
71.01388	17.0
71.67863	7.0
78.95888	30.9
86.42667	6.9
89.02448	11.1
93.03458	55.7
93.23299	6.3
108.36459	7.7
119.05018	6.8
121.02950	40.6
135.02972	12.7
135.04501	9.7
136.03271	8.5
137.02451	100.0
137.03430	14.9
138.05611	16.8
145.06245	8.7
174.86987	7.9
179.03497	16.3
181.05075	23.9
214.87820	6.4
254.99059	10.4
255.06561	11.9
276.49451	6.9
298.98184	19.0
299.07761	26.9
300.11945	8.2
300.16019	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0773
Annotation	Pseudolaroside A
Peak:m/z	Relative Intensity
53.65735	0.6
59.01379	4.8
64.80592	0.7
71.01377	3.3
71.50504	0.6
75.00895	0.7
78.95924	3.5
83.01418	0.6
84.71960	0.6
85.02954	0.6
89.02446	1.9
93.03459	92.0
94.03822	1.8
95.13197	0.6
96.96004	1.1
101.02437	1.2
105.09560	0.7
109.02981	0.9
113.02451	1.2
121.02910	1.1
125.06104	0.8
131.67018	0.7
135.03003	1.7
135.04492	0.8
137.02448	100.0
138.02789	2.8
138.05608	0.9
147.90802	0.7
179.03535	3.1
185.85616	0.7
217.00360	1.2
239.05554	1.3
254.99075	1.1
298.97913	1.0
299.07993	4.1
300.16013	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0771
Annotation	p-hydroxybenzoyl glucose
Peak:m/z	Relative Intensity
50.33024	0.9
52.96106	1.0
55.80069	0.9
57.03451	1.4
58.00584	2.9
59.01378	77.0
71.01380	32.8
71.15431	0.9
71.22330	0.9
71.30552	2.3
72.99306	3.2
73.02914	1.7
75.00874	2.2
79.14022	1.1
79.95761	1.6
80.96548	2.4
83.01381	2.8
85.02945	8.6
87.00891	1.6
89.02441	42.5
93.03456	25.4
95.01377	3.4
101.02444	20.7
107.04997	1.3
113.02444	15.3
113.03176	1.7
119.03502	12.0
119.05016	5.7
121.02970	2.3
135.01244	6.5
135.02974	4.5
135.04495	3.0
136.01628	7.5
136.03326	1.5
137.02448	100.0
137.03394	5.1
138.02800	3.1
149.02451	3.0
151.03978	6.3
161.04523	1.2
163.03987	1.4
179.03496	43.2
180.03807	2.0
209.04478	6.7
222.94608	1.0
234.80429	1.0
239.05611	16.6
299.07712	73.9
300.08063	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03848	0.3
58.30612	0.3
70.83073	0.6
75.39523	0.3
78.04264	0.3
79.95709	1.6
87.91684	0.2
90.75515	0.3
91.63595	0.3
119.05009	1.3
170.00455	1.2
183.01205	54.1
184.01938	5.6
193.71571	0.3
197.02814	3.0
198.03415	0.6
216.00978	2.8
219.59622	0.3
225.05902	0.6
230.02509	0.6
233.19182	0.3
239.07582	0.8
297.15286	100.0
298.15631	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	297.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74132	0.3
56.99231	0.3
69.67242	0.2
69.81419	1.6
72.42609	0.3
79.95708	1.5
84.42749	0.2
94.76326	0.3
107.57938	0.2
119.05058	1.1
121.00154	0.3
170.00468	1.5
183.01202	54.8
184.01747	2.4
197.02780	4.1
198.03506	1.2
216.00981	0.5
225.05925	0.8
230.02480	0.9
233.19098	0.4
239.07484	0.4
297.15283	100.0
298.15613	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	298.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73921	2.2
59.01377	5.6
69.49278	18.4
71.01389	4.3
75.00874	10.6
83.83705	2.3
115.00373	4.5
119.05028	100.0
121.02924	12.1
122.03294	8.4
133.01453	3.3
134.01842	3.7
134.02808	37.2
135.01953	4.8
135.02980	30.2
136.03349	12.3
137.02435	6.8
159.14639	2.2
160.09634	2.2
163.04042	16.4
176.73862	3.1
179.03511	4.1
181.05103	6.0
182.05417	6.6
244.15645	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	299.0595
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34768	1.1
52.14710	1.2
53.59996	1.1
56.58652	1.2
57.02255	1.1
63.36577	1.2
69.40318	1.3
80.27084	1.3
83.59138	1.3
119.05032	100.0
120.05353	3.7
129.60339	1.5
135.01221	86.2
163.04053	8.3
231.02788	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2278
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
56.06176	1.0
57.03465	2.9
59.01381	10.4
70.79246	1.2
71.01372	3.3
71.51728	1.6
87.00850	1.3
89.02441	2.0
101.02433	2.8
113.09760	1.9
115.00405	3.0
133.01471	8.1
133.05081	1.5
179.14433	1.6
183.13925	2.6
195.13892	24.8
206.99310	1.2
253.09177	1.2
277.21710	21.6
295.10104	2.6
295.22778	100.0
296.23108	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
58.05984	0.4
59.01380	5.6
62.27287	0.4
68.34440	0.4
69.85972	1.9
71.01378	4.2
72.51121	0.6
72.99308	3.5
75.00872	30.2
89.02441	7.0
98.75031	0.6
101.02457	1.2
113.02512	0.7
117.01938	2.9
119.05016	0.6
121.02962	3.5
133.02966	0.6
134.03763	0.5
135.02998	100.0
135.04442	5.5
136.03307	1.1
143.94498	0.5
161.02437	3.9
161.04469	0.6
179.03516	4.1
181.05118	2.6
297.12061	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27089	0.4
59.01374	2.7
69.55528	3.1
71.01382	1.3
72.99313	2.8
75.00873	27.0
89.02439	5.2
117.01931	2.5
133.02940	1.2
134.03712	0.6
135.03003	100.0
135.04454	5.9
136.03360	1.4
161.02443	3.2
179.03513	4.4
297.06253	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1131
Annotation	Nortopsentin D
Peak:m/z	Relative Intensity
52.62651	0.4
59.01374	2.0
62.43064	0.5
71.01374	0.7
75.00859	1.1
81.03432	0.8
88.52583	0.4
93.03437	2.8
95.05045	0.8
98.19804	0.8
99.04533	1.0
105.03459	0.7
108.02167	1.9
109.02953	82.2
110.03321	1.7
113.02446	0.6
117.03447	0.8
119.04973	0.6
121.02962	6.6
121.31317	0.5
130.46332	0.6
133.02974	0.6
135.02066	0.7
135.02997	4.1
135.04501	1.4
137.02496	0.5
138.03235	0.7
145.02975	6.4
146.03712	1.9
156.75562	0.5
158.03731	2.9
159.04536	1.9
166.02765	0.6
169.06613	0.6
174.03261	0.6
183.08078	0.8
193.06607	1.4
196.05247	0.9
197.06108	1.4
199.07634	1.2
209.06058	1.0
209.07927	0.6
210.06903	0.6
211.04045	0.9
211.07626	5.7
221.06076	4.1
222.06812	3.3
223.07599	2.1
223.16763	0.5
224.04715	0.6
225.05588	0.8
235.17032	0.5
237.05563	1.5
238.06154	2.3
239.07126	21.0
239.09563	1.1
240.07381	1.1
249.05591	3.7
250.06342	10.5
265.05215	0.9
266.05835	4.2
267.06604	100.0
268.06958	5.6
281.08264	0.8
282.08960	73.1
283.09265	4.7
297.11304	72.5
297.16916	2.1
298.11542	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	295.2278
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
57.03448	3.1
59.01378	7.0
66.68075	0.6
70.53030	1.2
71.01382	2.5
73.02926	0.8
85.02926	0.7
89.02428	1.1
101.02440	0.9
106.31326	0.7
115.00369	2.8
119.05008	1.4
133.01433	4.8
135.04457	0.8
137.09651	1.6
139.07622	1.0
139.11200	1.1
155.14410	5.6
161.04610	0.6
171.10268	15.0
183.10205	1.0
192.54070	0.7
195.13879	2.2
251.23804	2.1
257.92630	0.6
277.21701	21.7
295.22769	100.0
296.23114	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1912
Annotation	10-Deoxymethynolide
Peak:m/z	Relative Intensity
59.01378	5.7
71.01379	3.1
73.02964	0.8
73.08786	0.7
78.79277	0.7
79.95734	0.7
85.02957	0.7
85.80470	0.7
86.20210	0.8
87.14105	0.7
89.02467	0.9
90.35892	0.8
98.20702	1.0
101.02441	1.5
115.00364	3.4
133.01434	9.1
135.04439	1.5
161.04561	1.0
179.03461	0.9
182.27124	0.7
183.01222	3.5
209.02718	2.7
223.04260	1.1
251.16394	0.9
251.20160	18.1
252.20540	1.6
295.10291	2.3
295.13858	32.7
295.19107	100.0
296.13950	2.6
296.19437	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	295.2277
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
51.87337	0.6
52.83936	0.6
52.85866	0.5
53.08684	0.6
55.55259	0.5
57.03440	0.8
59.01366	2.2
60.04184	0.6
65.04337	0.6
65.20925	0.6
69.49183	5.0
98.19892	0.9
100.58186	0.6
102.46085	0.6
111.19439	0.7
115.72046	0.6
125.09673	1.8
133.01418	0.8
141.12836	0.9
144.52151	0.6
171.10260	37.3
172.10535	1.2
183.10304	1.9
192.96884	0.6
199.59851	0.7
233.22760	0.9
277.21713	50.1
278.22028	2.7
295.22775	100.0
296.23123	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0458
Annotation	Phaseolic acid
Peak:m/z	Relative Intensity
59.01386	1.7
66.24410	0.6
71.00573	2.0
71.01003	1.2
71.01385	15.0
72.99315	2.4
87.00893	0.8
89.02470	1.5
111.07298	0.7
111.08149	0.6
115.00371	41.3
118.21516	0.6
128.33955	0.7
131.55981	0.6
133.01434	100.0
134.01762	2.1
134.03749	1.1
135.04524	12.7
136.04892	0.8
176.71078	0.6
179.03520	9.8
180.03729	0.7
190.86932	0.6
191.61211	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.3
68.83204	0.7
71.11188	1.8
75.50717	0.8
91.53553	0.7
93.79549	0.7
107.43772	0.7
118.04276	0.8
179.14404	1.1
195.13907	14.2
196.14598	1.3
205.12479	0.9
205.15918	0.9
223.13387	14.1
228.13596	1.8
256.13010	4.6
275.20096	9.8
276.20248	0.9
293.21225	100.0
294.21606	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	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	6.4
58.13697	0.5
59.01378	3.1
65.18323	0.5
66.69155	0.5
70.84441	1.5
71.01398	0.8
76.30938	0.5
80.96079	0.5
84.82312	0.5
95.04995	0.5
97.06580	0.8
109.06602	1.3
113.09728	21.1
121.10223	1.9
135.11794	0.6
135.17595	0.5
136.40527	0.5
139.11263	2.1
145.36539	0.5
149.09723	0.6
167.10757	2.0
171.10217	3.6
177.12842	0.8
179.10779	2.0
185.11795	0.6
193.15904	1.0
195.13914	2.6
220.14694	0.9
221.15506	2.7
236.10519	2.3
249.18629	0.5
249.22232	1.6
275.20148	4.4
293.08838	1.5
293.21219	100.0
294.21552	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	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56128	0.5
54.85084	0.4
55.48862	0.5
57.03439	1.5
60.52710	0.4
70.53060	0.9
70.53394	0.5
71.01357	0.6
73.20301	0.5
81.08237	0.4
83.05102	0.5
83.21098	0.5
84.78713	0.4
96.96017	0.6
97.06586	1.5
106.28047	0.4
121.46716	0.4
123.08140	0.7
125.09738	4.4
141.12811	1.0
149.08629	0.5
149.09714	2.2
151.11252	0.7
183.13922	0.7
185.11806	9.7
188.46132	0.5
192.11531	0.5
193.16052	0.6
197.11832	2.3
202.49335	0.5
212.05423	0.4
220.14638	1.3
220.86363	0.5
221.15463	2.6
227.55649	0.6
236.10548	1.5
249.18500	0.6
249.22215	0.6
254.90909	0.5
275.20209	1.0
282.06552	0.4
287.47116	0.5
293.21225	100.0
294.21509	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0457
Annotation	Phaseolic acid
Peak:m/z	Relative Intensity
65.36292	0.8
66.07859	0.7
70.62685	1.0
70.63004	1.5
71.01381	14.2
72.99290	3.5
87.00886	0.9
89.02444	2.3
98.20517	0.8
108.25113	0.6
115.00378	37.7
116.00703	0.9
119.05044	3.1
120.84202	0.7
124.20864	0.7
130.09128	0.8
133.01431	100.0
134.01768	1.6
135.04521	13.7
136.39886	0.6
149.00928	1.6
163.04024	6.2
179.03511	13.2
184.94513	0.7
193.34387	0.8
197.94409	0.7
233.54704	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0456
Annotation	Phaseolic acid
Peak:m/z	Relative Intensity
54.90273	0.4
57.41895	0.4
63.91493	0.4
69.19235	3.8
69.19617	0.8
71.01380	14.2
72.99304	2.8
87.00883	0.9
89.02461	1.9
115.00370	40.3
116.00710	0.7
133.01427	100.0
134.01778	1.5
134.03770	0.7
135.04521	13.5
136.04903	0.4
179.03505	11.8
180.03708	0.4
201.37648	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26731	0.6
56.72877	0.5
62.29047	0.5
64.18833	0.5
70.10105	0.9
70.10500	1.6
71.01382	12.5
72.99303	2.8
85.06831	0.6
89.02453	2.2
98.19971	0.7
102.30308	0.6
115.00374	42.7
133.01431	100.0
134.01736	1.5
134.03763	1.2
135.04532	12.0
179.03506	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.9
59.66418	1.3
63.18022	1.3
98.28694	1.4
121.10230	45.5
125.09739	1.6
171.10263	84.3
172.10558	2.6
177.16512	1.6
183.13876	6.2
185.11783	4.2
192.11581	1.3
193.15912	1.8
211.13484	2.3
217.71716	1.2
221.15416	2.9
231.21213	4.9
236.10522	1.6
257.19287	1.2
275.20139	100.0
276.20401	6.9
278.77426	1.3
293.21216	78.5
294.21625	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.176
Annotation	Unknow
Peak:m/z	Relative Intensity
63.17488	0.2
64.89736	0.2
71.01383	7.3
77.51308	0.2
77.73768	0.2
83.12522	0.2
127.07639	0.5
131.48524	0.2
148.05301	1.1
151.07538	0.4
160.25307	0.2
164.08401	1.4
177.09201	5.5
178.09573	0.4
190.10014	0.3
192.11551	6.5
193.12102	0.7
205.12331	7.3
206.12700	0.4
207.13844	1.1
217.08774	0.6
218.09485	2.4
220.04503	0.3
220.14674	48.6
221.15451	100.0
222.15770	4.8
235.13441	0.9
236.10524	67.4
237.10910	3.2
293.17596	7.2
293.21014	0.5
294.17914	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77275	0.3
59.01364	1.0
69.18977	0.3
69.86644	0.8
69.87036	0.8
70.64518	0.4
71.01380	1.0
79.95731	3.5
88.11981	0.3
95.95272	1.1
96.54580	0.3
96.96008	100.0
97.06602	1.1
97.95928	0.4
98.95592	0.9
105.03445	0.5
120.30415	0.4
121.02962	0.6
125.81808	0.3
133.01440	0.4
133.02957	5.0
134.03735	20.3
135.04535	8.5
137.02435	3.1
139.04001	0.8
149.02499	0.5
151.03947	0.6
165.01904	0.4
177.01909	5.5
178.02708	14.3
179.03462	4.6
183.42072	0.3
231.10248	0.8
231.13741	0.4
256.73615	0.4
275.09381	1.6
281.86804	0.4
293.10568	4.0
293.14261	68.2
294.14511	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75567	0.3
59.01381	0.4
63.74590	0.3
71.01354	0.5
71.52384	0.2
71.52779	0.3
79.95734	3.5
95.95260	0.9
96.96011	100.0
97.06581	0.8
97.95948	0.4
98.95589	0.2
101.02406	0.3
121.02963	0.4
123.04525	0.5
128.85048	0.3
133.02968	3.4
134.03743	17.3
135.04541	6.9
137.02448	2.1
139.03975	0.4
142.13756	0.3
151.03975	0.6
177.01938	4.1
178.02701	10.1
179.03487	3.9
204.40511	0.2
227.53857	0.3
231.10313	0.6
275.09189	1.1
293.10541	4.1
293.14270	65.1
294.14557	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	293.1394
Annotation	Pyrethrosine
Peak:m/z	Relative Intensity
59.01364	2.1
59.12102	0.6
71.01374	2.3
71.05025	5.0
71.52552	0.6
73.06589	4.5
76.41681	0.5
82.00609	1.1
82.37289	0.5
85.02934	1.0
91.01907	4.0
92.02699	1.1
93.03452	5.1
95.01379	4.5
105.03428	0.8
108.02180	9.1
117.05588	0.7
119.01394	1.9
121.02982	0.8
123.04488	0.8
133.02966	1.4
133.06573	0.5
136.01651	4.5
137.02466	5.6
142.22783	0.5
147.08160	4.5
151.04012	1.3
160.05183	0.5
160.67688	0.6
163.00365	7.7
163.51755	0.6
176.01141	2.0
177.01947	1.1
180.18944	0.6
191.07143	9.1
193.08694	53.7
194.09038	2.2
198.17198	0.5
219.06618	1.9
221.15488	1.0
236.10507	0.7
237.07706	4.6
293.13950	100.0
293.21066	2.4
294.14297	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.4
59.01369	1.2
69.42741	0.9
69.43174	1.4
71.01382	1.3
72.99305	0.7
73.02931	0.5
79.95749	1.0
81.03477	0.5
81.07070	0.3
93.03466	0.3
96.96010	85.3
97.06573	3.2
98.95600	1.0
98.96428	0.4
101.02457	1.1
105.03450	1.3
106.04261	0.9
107.05003	0.7
108.02159	0.5
109.02939	2.5
111.97146	0.3
113.02473	0.3
119.05053	0.4
121.02962	0.7
123.04521	1.2
133.02954	5.6
134.03740	65.6
135.04541	19.9
136.04884	0.4
137.02446	5.5
139.04013	1.0
148.01599	0.4
149.02423	1.5
150.03168	2.2
151.04007	3.9
162.03233	0.3
164.04793	1.5
174.03252	0.3
177.01938	8.5
178.02701	22.0
179.03487	8.0
180.03873	0.4
181.05052	0.3
192.04298	0.5
196.03801	0.9
203.10748	0.4
213.16510	0.4
221.11797	0.7
231.10231	2.8
231.17581	0.9
249.11287	5.6
249.13918	0.3
275.09247	2.6
293.10571	100.0
294.10867	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	292.192
Annotation	Nordihydrocapsaicin
Peak:m/z	Relative Intensity
58.02966	0.8
59.01368	1.3
61.98814	0.4
69.70678	0.6
69.71082	1.6
71.01382	1.1
97.01662	0.4
98.26806	0.4
133.02916	0.3
156.13931	100.0
157.14288	3.7
174.02541	0.4
177.09195	0.4
193.85345	0.4
200.12920	4.8
220.14618	2.6
221.15454	5.8
236.10471	3.4
244.99551	0.4
248.21146	0.4
274.18970	0.4
292.09146	0.6
292.19974	9.0
293.11960	0.4
293.17569	1.0
293.21207	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	293.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	2.2
68.99831	0.6
69.78828	1.2
69.79222	1.6
71.01380	7.8
72.99307	3.2
79.90385	0.5
81.03449	0.9
87.00882	3.3
92.30078	0.6
95.05015	1.0
96.96018	1.2
97.06584	6.7
98.20617	0.7
105.03453	2.4
106.04243	1.5
107.05038	1.1
108.02164	0.8
109.02959	2.0
115.00378	2.1
117.03465	14.3
119.05006	4.5
121.02966	2.2
122.03743	1.2
123.04530	5.3
124.01671	0.7
125.02455	0.7
125.82236	0.6
133.02962	6.8
134.03741	100.0
135.04539	36.0
136.05183	0.8
137.02444	18.7
137.06078	1.9
139.03951	1.1
143.63910	0.5
145.02953	58.1
146.03308	1.0
147.02991	5.2
149.02469	1.1
150.03236	1.7
151.04002	14.3
152.04784	5.5
155.84906	0.5
162.03200	0.7
163.04059	3.7
164.04808	1.3
169.00946	0.6
177.01926	15.7
178.02707	37.8
178.49925	0.6
179.03479	14.6
180.03978	0.6
181.05058	2.1
187.07578	0.6
187.11316	0.8
195.03056	0.9
196.03761	9.2
203.10736	1.0
205.12405	1.0
213.16519	0.9
221.11766	1.2
231.10210	4.2
249.11319	2.4
275.09250	4.6
284.17038	0.5
293.10330	30.9
293.17560	1.3
294.10599	1.6
294.13730	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01887	1.3
55.01851	2.4
67.01880	3.3
69.76141	7.5
70.02978	3.3
71.01382	5.3
72.00898	6.0
72.04539	3.4
72.97935	1.4
72.99301	1.4
81.14040	1.6
82.02982	86.9
83.01375	13.1
84.04539	9.5
85.02961	3.9
91.05527	4.5
94.02959	8.0
96.96040	2.0
98.02470	22.9
99.00861	3.9
100.04034	13.9
103.05548	1.9
105.03426	2.9
109.02975	1.4
110.02461	2.7
111.00863	2.0
111.03262	18.9
118.06662	7.4
119.05051	2.4
121.14261	1.3
123.00896	2.2
123.04520	5.3
124.01031	1.5
124.01685	17.9
125.02465	2.1
126.01976	2.7
127.00375	8.1
128.52818	1.4
131.05064	2.2
133.02950	11.5
135.04480	1.4
137.02431	18.9
137.06058	1.9
144.04608	1.5
144.08199	2.4
147.04517	38.7
150.03227	5.6
151.04010	13.4
152.04811	7.5
159.04495	1.7
159.08153	2.6
162.03154	1.6
163.03923	2.1
164.04945	1.8
164.07159	47.5
165.05542	10.8
165.07451	1.7
172.05408	1.8
174.03186	3.8
175.07629	7.0
177.01910	4.6
177.05511	2.9
177.09146	3.9
178.06354	1.6
179.80879	1.4
184.07681	22.7
184.94505	1.5
185.07974	1.4
186.09250	14.7
187.07657	13.4
193.08633	2.3
195.03033	2.1
196.03752	28.2
202.06664	2.1
202.08711	18.9
203.07236	6.8
203.08961	1.5
203.10751	5.5
205.08632	11.2
213.09183	1.5
220.07266	1.7
221.08185	3.8
221.11812	5.9
230.08179	25.3
231.06581	2.2
231.10269	12.2
246.07701	100.0
247.07915	6.7
248.09279	3.9
249.07484	2.9
249.08398	2.3
249.11301	47.5
274.07175	38.9
275.09387	17.5
292.08282	10.9
293.10312	83.9
307.41534	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97620	0.3
58.02970	0.9
59.01377	1.5
61.37901	0.3
61.98796	0.4
64.12187	0.3
71.01380	1.0
72.40036	0.4
73.51000	0.3
92.07119	0.4
97.77831	0.4
98.20665	1.0
156.13933	100.0
157.14264	3.6
192.11588	0.7
200.12932	5.4
205.12338	0.6
220.14665	4.1
221.15454	6.5
236.10529	5.3
292.19748	2.7
293.12491	0.4
293.17621	2.1
293.20859	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70365	0.3
57.03450	2.2
59.01381	0.8
69.03449	0.6
71.08791	0.6
73.28168	0.3
74.78430	0.3
77.24677	0.4
83.05005	1.0
93.07104	1.7
96.96015	0.4
97.06584	1.9
101.02512	0.3
107.05000	0.4
111.08159	1.3
113.09738	2.9
119.05009	0.4
119.14005	0.4
121.10241	13.2
122.10482	0.4
123.08175	1.2
125.09735	6.5
126.10001	0.4
139.11269	1.5
141.12860	0.9
143.80063	0.3
147.08151	1.0
165.12820	0.7
169.89342	0.4
171.10228	0.5
185.11824	14.7
186.12218	0.5
193.15974	0.4
195.13925	0.5
197.11844	4.1
209.11871	1.7
211.13309	1.9
223.13400	1.0
247.02435	0.4
247.13342	0.5
247.20709	2.2
273.18597	2.2
291.19653	100.0
292.20016	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	291.1965
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
50.53365	0.4
51.01296	0.4
59.01395	0.4
60.15938	0.3
61.98800	0.3
66.67204	0.3
71.01369	0.5
71.47334	0.4
71.51341	0.5
73.02945	55.1
74.03268	0.5
79.95727	0.5
98.09569	0.3
131.44862	0.4
203.90950	0.4
234.72749	0.5
247.02315	0.4
291.19653	100.0
292.19989	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.0
59.01379	1.8
61.23542	0.5
70.06327	2.0
71.01383	1.3
73.75396	0.5
76.27923	0.5
83.05036	0.6
93.07092	1.1
95.05080	0.8
97.06591	1.9
101.02406	0.6
111.08177	2.8
121.02943	1.1
121.10226	11.7
123.08162	1.4
125.06050	0.6
125.09722	5.5
127.25285	0.5
147.00914	0.6
147.08223	0.5
167.10709	0.6
173.02428	0.5
177.12868	0.9
179.10770	0.8
185.11821	12.5
185.33049	0.5
186.12086	0.6
195.13841	2.0
197.11810	3.2
209.04703	0.5
209.11827	1.2
211.13391	1.8
218.99495	0.5
223.13420	1.1
231.10066	0.6
246.98564	0.5
247.02473	2.2
247.20650	1.7
273.18457	2.5
291.19641	100.0
292.19968	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1967
Annotation	Colnelenic acid
Peak:m/z	Relative Intensity
50.41809	0.8
52.23270	0.9
59.01399	1.4
64.11443	1.1
71.01377	1.6
71.08910	1.8
73.02927	1.5
79.95731	1.4
84.60368	0.9
96.52425	0.9
99.08156	2.0
99.26906	1.0
121.03004	1.4
127.11296	3.0
137.09721	7.0
153.09174	1.2
171.10265	100.0
172.10559	3.5
191.03380	1.1
225.21851	1.0
238.45425	1.2
247.02417	8.8
263.20148	3.3
291.09067	1.3
291.16373	0.9
291.19669	22.5
292.20090	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1964
Annotation	12-OPDA
Peak:m/z	Relative Intensity
59.01369	1.1
70.92190	0.3
70.92540	0.6
71.01379	0.7
73.02936	0.7
90.97675	0.2
93.03448	0.2
97.06597	0.5
110.71038	0.2
119.05051	0.7
121.02996	0.3
125.06084	0.5
142.64140	0.3
147.00894	0.3
148.08931	1.4
149.09679	0.4
150.10507	0.9
151.11252	0.7
163.11302	1.2
165.12839	22.0
166.13208	0.9
175.11192	0.6
176.12059	0.6
179.14453	0.7
187.33679	0.3
191.14429	0.9
194.86067	0.3
217.16028	0.4
229.19632	0.5
245.19113	0.7
246.98740	0.4
247.02438	1.8
247.16925	0.4
247.20670	10.3
247.72676	0.3
248.20987	0.7
258.80817	0.3
263.20337	0.3
273.18610	6.3
274.18835	0.6
282.73425	0.3
290.97922	0.4
291.19641	100.0
292.19980	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	291.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	10.5
57.03452	7.3
57.97557	7.2
58.00593	3.1
59.01378	62.9
68.99815	2.1
69.31812	12.8
71.01381	100.0
72.99306	5.3
73.02941	36.3
75.00880	2.2
78.10146	1.3
79.95744	4.4
80.62605	1.4
81.03463	1.9
83.01385	22.3
85.02949	52.4
86.00084	2.3
87.00865	2.8
89.02446	9.6
91.01899	2.7
91.38887	1.3
95.01386	8.5
96.95383	2.7
96.96008	51.0
97.02940	2.7
99.00873	17.9
101.02439	95.1
104.02695	3.8
108.35514	1.5
111.00836	1.6
113.02448	38.9
119.01395	20.3
119.03502	1.7
125.02435	2.1
127.11263	2.5
129.01915	3.1
133.02925	9.1
144.81351	1.4
147.00876	58.6
148.01613	5.8
158.03763	1.8
159.03017	8.3
161.04533	20.4
175.10603	1.5
176.01152	8.8
177.01898	1.6
209.11845	1.6
245.08127	2.8
261.02155	1.5
263.09406	3.0
273.07629	2.7
273.15091	1.9
291.08832	10.3
291.12686	52.0
291.17822	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	291.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	9.7
57.03445	8.0
58.00584	3.7
59.01381	56.8
68.99819	2.1
69.03452	2.3
71.01383	100.0
71.06897	1.0
72.99329	4.8
73.02947	35.6
74.23532	1.1
75.00878	2.2
75.02414	1.9
75.44644	1.0
79.95741	3.0
81.03453	1.6
83.01382	21.3
83.94704	1.0
84.59040	0.9
85.02950	51.3
86.00109	1.5
86.03320	1.0
87.00883	4.4
88.93656	1.1
89.02451	10.0
91.01912	2.6
95.01413	8.0
96.96014	31.4
97.02946	1.7
99.00883	16.8
99.98600	0.9
101.02446	99.3
104.02695	3.0
110.85960	0.9
111.00893	2.7
113.02454	41.4
119.00558	2.3
119.01389	35.1
119.03525	2.0
119.90799	1.1
125.02449	2.6
127.11279	1.6
129.01996	2.3
129.12804	1.3
133.02934	7.6
134.03752	2.2
135.04524	1.6
143.03517	3.1
144.40790	1.0
147.00883	91.7
148.01685	9.8
149.02420	4.6
158.03735	2.3
159.03008	7.8
159.04222	1.6
161.02522	1.6
161.04565	22.6
161.10063	18.6
173.06160	2.6
175.04103	1.0
176.01143	10.3
176.04846	1.3
177.01883	4.2
179.03490	1.0
187.07686	2.2
201.09303	1.4
202.06137	1.4
219.13843	2.8
229.08763	1.5
229.12317	2.0
245.08247	5.5
247.07591	1.8
247.13480	2.0
249.11662	4.1
263.09232	4.2
273.07730	3.3
291.08774	21.4
291.12665	36.0
291.15509	1.9
291.18152	11.1
291.23038	1.6
292.09280	2.0
292.12915	2.3
292.18503	1.4
296.36917	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11042	0.3
57.03456	0.5
58.99604	3.9
59.01383	5.1
68.70147	0.3
68.99848	0.4
71.01376	0.6
71.52074	0.3
87.00889	3.5
91.01897	0.6
96.96014	0.6
108.02195	0.3
113.09732	2.3
119.01387	4.0
133.02965	1.3
134.03777	0.5
135.04541	1.4
137.02477	0.4
147.00882	11.2
148.01619	0.9
149.02385	0.5
159.08495	2.9
161.10059	100.0
162.10378	3.0
176.01154	1.1
178.02698	0.6
179.03473	0.9
231.10599	5.6
245.08154	0.4
249.11662	20.1
250.11980	1.0
255.78545	0.3
291.08777	2.4
291.12711	3.3
291.15753	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.4
57.03445	0.5
59.01384	1.7
68.99843	0.2
69.25638	2.0
71.01381	2.9
73.02941	1.0
73.26991	0.2
79.95732	6.0
83.01399	0.5
85.02956	1.2
87.26392	0.2
91.01871	0.2
96.96010	100.0
98.20660	0.5
99.00911	0.3
99.08094	0.2
101.02438	2.7
109.82878	0.2
113.02444	0.8
119.01395	1.3
133.02966	0.5
147.00883	3.5
148.01619	0.4
151.00650	0.7
161.04529	0.4
163.57973	0.2
171.75958	0.3
176.01141	0.5
177.01883	0.3
291.12704	92.9
292.13013	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	291.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	13.1
57.03446	7.5
58.00583	3.7
59.01378	63.5
66.24142	1.2
68.99818	2.5
69.03423	1.7
69.90622	6.6
71.01381	99.3
72.99304	6.2
73.02945	36.5
75.02371	2.0
79.95721	2.3
83.01386	20.9
85.02949	54.5
86.00079	1.9
87.00863	4.1
89.02454	10.1
91.01875	2.5
95.01375	6.9
96.96005	30.7
97.02950	3.3
99.00874	17.8
101.02441	100.0
102.02777	1.3
104.02665	3.5
111.00858	2.8
113.02447	42.2
119.01389	34.1
119.03452	1.8
125.02394	2.2
129.01930	2.2
129.12868	1.7
133.02971	7.9
135.04488	2.6
143.03436	3.7
147.00882	88.8
148.01723	9.7
149.02388	2.6
159.02943	6.9
159.04375	2.7
161.02470	2.5
161.04559	27.4
161.10052	18.0
172.51204	1.3
173.06035	2.8
175.00284	1.5
175.99731	1.8
176.01128	11.1
176.04790	1.4
177.01912	4.0
179.03575	1.4
219.13940	2.6
219.74535	1.4
229.12346	2.7
238.62291	1.3
245.08095	4.3
247.07642	1.5
247.13338	1.9
249.11571	4.1
263.09204	1.9
273.07602	4.6
273.14865	1.7
291.08725	19.0
291.12625	32.4
291.15536	3.1
291.18298	11.5
292.12592	2.4
312.91681	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.1
55.16901	0.5
57.03454	3.9
57.40371	0.5
59.01369	3.1
69.03462	1.8
69.93929	2.7
71.01383	100.0
72.01708	1.2
73.02949	7.4
82.02986	1.1
83.01391	8.0
83.68787	0.5
85.02953	27.6
85.06583	0.7
87.00870	0.6
87.36014	0.6
89.02464	0.6
93.74403	0.5
95.01399	1.0
98.20621	0.6
99.00902	2.1
101.02444	16.7
101.06093	1.6
103.04015	5.0
113.02457	8.4
125.02403	1.0
129.05582	2.8
147.06635	74.7
148.06982	1.5
158.03877	0.6
159.03041	0.6
161.04538	0.9
164.07104	0.6
174.03246	1.7
175.04033	1.2
176.04738	1.0
179.08861	0.5
185.02478	0.8
191.06995	0.5
201.07669	1.1
203.01555	0.5
213.01921	0.8
213.13522	0.6
214.02756	1.5
218.05833	1.6
219.01227	1.0
229.08748	1.8
229.33946	0.5
246.07661	2.0
247.00703	2.6
247.09738	1.9
258.01578	0.9
260.09158	0.5
274.07217	1.2
290.99652	2.9
291.10980	10.0
292.11584	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48278	0.8
59.01381	1.0
64.61760	0.7
71.01379	1.6
71.12642	1.4
75.02389	0.9
79.95738	7.0
89.24647	0.7
91.01892	0.9
93.03477	1.0
96.96014	100.0
104.02684	1.9
119.01389	19.9
121.02901	1.0
133.02969	4.2
137.02438	0.9
147.00888	47.7
148.01672	4.8
156.86693	0.7
158.03732	1.0
173.06142	1.2
175.00305	0.8
175.07535	0.9
176.01131	3.9
177.01845	1.7
178.02774	1.3
214.95282	0.7
245.08168	2.5
255.10210	0.9
263.09232	1.4
273.07672	2.6
291.08881	15.1
291.12738	80.0
292.09735	0.6
292.13065	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	291.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.2
60.97492	0.4
70.92558	0.1
70.92911	0.2
71.01390	0.2
74.99071	1.8
75.66982	0.1
79.95735	0.3
80.51749	0.1
81.76581	0.1
93.00116	0.6
117.19424	0.1
121.02989	0.3
134.99419	0.3
143.05330	0.3
149.00967	2.4
150.00980	0.2
161.06381	1.3
192.98151	1.4
206.99620	0.7
209.01259	4.6
210.01335	0.3
217.07216	1.7
225.00742	0.5
235.02834	0.2
247.02490	0.4
247.20616	0.2
273.18677	0.2
273.22382	0.2
275.05911	0.5
289.07513	2.4
290.07703	0.3
291.09100	100.0
291.19699	1.4
292.09216	9.5
309.10245	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.181
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
50.60228	0.5
57.11456	0.5
59.01368	2.2
61.98833	0.6
68.49637	0.5
71.01365	0.8
71.06771	1.3
80.02672	1.3
81.03452	1.0
83.05049	0.7
95.05029	1.1
97.06590	0.7
106.04242	1.7
107.05035	0.8
109.02942	0.6
109.06599	10.0
111.08137	1.8
119.04993	0.5
121.02956	0.9
123.08156	2.7
135.08170	0.7
137.09702	1.6
141.70032	0.5
143.10779	1.1
145.06560	3.4
149.02498	0.7
149.09694	1.9
151.11244	1.1
159.08188	1.0
163.11281	1.2
167.10785	2.0
168.13913	0.7
179.10728	1.1
181.12329	0.9
187.07652	1.5
191.14359	0.9
201.09158	0.6
205.08760	0.6
212.41705	0.6
229.08618	0.6
245.08295	0.7
245.19070	7.3
247.17052	0.6
271.17029	2.2
273.14941	0.6
287.16708	2.6
289.11053	2.7
289.18088	100.0
290.18396	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	291.0875
Annotation	Dihydromikanolide
Peak:m/z	Relative Intensity
57.03427	0.9
59.01368	2.8
69.18613	6.0
69.19018	1.2
71.01376	6.1
71.05019	8.9
73.02942	3.6
75.00879	0.7
80.96479	0.8
81.03478	1.0
82.03011	0.9
83.05024	2.2
85.02951	3.2
93.03457	1.2
95.01347	0.7
96.96001	2.3
97.06567	1.0
101.02406	0.9
107.05048	1.7
109.02954	9.5
111.04518	9.0
113.02468	1.1
119.05012	3.3
121.02969	2.0
121.06561	1.3
122.03713	1.4
125.02452	5.0
125.06050	0.8
129.03461	1.1
130.04279	1.1
131.04999	1.2
132.02200	0.9
133.02913	1.8
134.03716	2.8
135.04524	27.1
136.05286	2.1
137.06084	9.4
142.02742	1.5
143.05078	1.8
145.02934	1.2
145.06589	2.7
146.03738	6.5
147.04510	17.0
147.06613	2.7
147.08241	0.8
149.06079	7.4
158.03754	6.7
159.04514	12.3
160.01601	3.5
160.05168	0.9
161.02437	23.5
161.06085	2.1
162.03004	2.0
163.03964	4.6
163.07674	2.3
171.04501	1.0
172.05280	8.6
173.02394	2.1
173.06067	22.4
173.07570	1.1
173.22992	0.8
174.03212	16.8
174.06650	2.2
175.03995	100.0
176.04773	67.9
177.05194	3.9
177.09154	1.3
181.05038	1.5
185.06090	1.6
185.09737	2.6
186.06830	2.1
187.03999	1.0
187.07629	4.0
188.08394	0.9
189.05550	10.8
190.02631	0.7
190.06316	5.6
191.07132	16.6
193.05151	1.1
199.03983	2.0
200.04829	2.3
201.02002	0.8
201.09178	4.1
203.07202	2.6
203.10776	16.6
204.04340	1.1
204.11237	1.1
205.08684	1.1
211.07603	1.2
213.01732	0.7
213.05505	1.0
214.06351	2.6
217.08618	2.5
218.05804	2.9
219.06593	2.7
219.10226	4.3
220.03786	5.9
227.07137	2.4
229.08670	31.9
230.09042	1.8
231.06616	5.6
232.07326	2.3
245.08194	2.9
246.07693	1.8
247.00591	2.3
247.09734	39.1
248.10110	2.1
258.16571	0.8
263.09253	1.7
273.07684	4.7
274.07367	0.9
290.99692	1.9
291.05447	7.5
291.08749	23.4
292.08807	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1114
Annotation	Rotoxamina
Peak:m/z	Relative Intensity
52.07195	0.1
66.43500	0.1
69.86715	0.7
74.28972	0.2
79.95731	7.0
96.96010	100.0
97.95963	0.3
99.62478	0.1
109.78264	0.1
122.97572	0.4
161.92532	0.1
187.03944	0.2
246.05376	0.2
289.11136	66.6
290.11484	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1116
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22942	0.3
71.27806	0.5
71.28146	0.3
72.59533	0.3
79.95737	3.0
95.95226	1.5
96.96012	100.0
99.93838	0.3
146.27565	0.3
158.20433	0.3
181.28113	0.3
183.56212	0.3
183.69810	0.3
188.04794	0.3
196.44508	0.3
201.09184	0.3
289.11145	63.3
290.11450	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	289.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09243	0.7
55.01876	9.9
57.03445	8.6
58.00583	2.3
59.01379	37.9
69.03465	1.2
69.89842	4.0
71.01382	100.0
71.05002	2.1
72.34438	0.7
72.99301	2.7
73.02947	35.1
75.00877	1.9
79.95705	1.1
83.01387	15.1
84.02188	1.1
85.02949	46.4
87.00888	4.4
89.02444	7.5
95.01397	7.8
96.96015	3.8
97.02960	1.8
99.00880	17.2
101.02442	61.6
102.02734	0.9
104.02665	1.2
113.02450	37.7
125.02419	2.1
127.11243	3.6
129.01952	1.5
143.03484	1.7
148.01689	1.7
149.02414	1.0
159.03023	6.0
159.04211	1.1
161.04556	14.8
174.03206	1.0
201.09164	1.9
213.09096	0.8
217.08675	1.8
220.00171	5.1
245.08150	2.3
257.08115	2.6
261.07703	0.9
289.07132	4.0
289.11200	4.6
289.14142	1.6
289.16940	1.5
295.22113	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0717
Annotation	Mikanolide
Peak:m/z	Relative Intensity
59.01393	0.5
69.21765	3.3
77.03964	0.5
77.95947	0.3
79.95734	0.4
94.00552	0.3
95.05043	0.4
98.20660	0.8
100.43199	0.3
101.06065	2.6
104.02707	1.0
105.03441	0.6
117.03471	34.2
118.03881	0.5
123.04505	1.8
132.02150	0.9
133.02965	15.0
138.14995	0.3
148.01668	1.0
158.03749	0.4
160.01654	1.2
161.02446	57.0
162.02835	1.5
171.04498	0.4
174.03268	0.5
176.01181	0.9
188.04819	0.6
189.01978	0.6
189.09209	0.4
190.02576	0.6
201.09200	4.9
203.03468	0.7
205.01460	3.4
216.04259	5.9
217.08694	2.8
243.06583	0.9
245.08174	28.3
246.08510	1.2
260.03137	1.6
261.07596	0.7
289.07153	100.0
290.07471	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	289.0716
Annotation	cis-3,4-Leucopelargonidin
Peak:m/z	Relative Intensity
57.03450	1.0
59.01377	1.3
60.22783	0.4
65.00320	1.9
67.01898	1.0
68.99827	1.8
69.14967	4.1
71.01372	0.5
81.03466	0.6
83.01392	13.2
83.01894	0.7
85.02938	0.8
86.51294	0.4
86.58224	0.5
92.83832	0.5
93.03439	1.1
96.96970	0.8
99.93594	0.4
107.01411	3.2
109.02956	5.6
111.00886	0.6
117.03465	1.8
119.04995	0.6
120.02155	1.2
121.02937	0.9
123.04539	0.7
125.02453	5.6
134.03708	0.5
135.04497	2.7
137.02446	6.2
145.02959	0.6
151.00366	15.5
153.01936	100.0
154.02251	2.1
157.06610	0.6
161.06018	1.1
163.00369	0.4
164.01154	10.8
165.01871	1.7
183.04559	0.9
185.06058	1.9
187.03917	0.5
191.00194	0.6
195.06552	0.5
203.07112	1.0
203.48529	0.4
209.06010	0.8
211.03973	1.0
216.04301	0.5
225.05626	0.7
227.07213	1.0
245.08214	1.7
253.05051	6.5
271.06082	2.5
275.37906	0.5
289.07193	16.8
290.07495	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	6.5
65.09658	1.7
70.22490	6.2
70.22836	1.8
71.01384	5.2
74.21072	1.9
87.00881	1.9
91.99084	1.8
99.00872	5.1
99.04451	2.4
107.21656	1.9
111.08154	6.2
118.04256	4.8
135.04504	2.3
137.08890	1.8
145.02962	4.0
146.03720	20.9
153.09129	2.3
157.06557	2.3
159.04485	7.1
160.05351	2.9
162.03250	4.4
171.10251	2.8
172.05319	4.2
173.06055	3.1
173.08173	8.6
173.26167	1.8
174.03232	3.8
174.06903	9.4
175.07637	28.2
177.01910	3.9
187.04001	5.3
188.04779	81.9
189.01929	4.4
190.02737	13.2
198.03220	21.9
199.03864	3.2
199.07668	2.8
201.05489	3.3
201.09149	2.6
202.06352	4.5
211.04184	1.6
212.04770	2.5
213.09241	5.2
214.02718	10.0
215.03484	47.2
215.09242	2.4
216.04210	7.6
217.08685	100.0
218.02202	6.8
218.09000	4.0
222.01695	6.9
227.07149	23.2
245.08171	85.5
246.08476	3.9
260.03226	38.5
261.07611	10.9
271.06070	6.1
289.07178	81.6
289.10327	2.9
290.07440	3.7
305.95282	1.9
309.04697	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.5
68.70229	0.7
69.03449	0.9
69.27712	5.9
71.01368	1.7
78.95901	12.6
80.51263	0.7
83.05020	0.8
85.02950	8.4
87.00866	2.7
93.03455	3.4
96.96010	1.0
96.96967	20.2
105.53803	0.7
111.04523	1.2
115.00343	1.4
127.03988	1.8
133.01428	2.1
173.04538	1.4
191.05612	100.0
192.05960	3.0
199.00223	1.2
289.03073	1.6
289.06693	0.7
298.77432	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.033
Annotation	D-glycero-beta-D-manno-Heptopyranose 1-phosphate
Peak:m/z	Relative Intensity
55.14299	0.4
59.01369	1.5
66.57757	0.4
69.71552	2.0
71.01394	0.7
74.95653	0.4
78.95902	14.5
85.02946	8.4
87.00876	1.6
88.40514	0.3
93.03457	2.3
96.96961	31.1
98.20629	0.6
101.02429	0.5
111.04518	0.9
127.03995	1.5
138.98056	0.9
168.98987	0.5
171.03029	0.5
173.04520	0.7
182.25969	0.3
191.05605	100.0
192.05988	2.5
199.00078	2.8
209.50380	0.4
229.01057	0.4
251.00011	0.5
258.32288	0.4
288.94510	0.4
289.03305	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	287.2228
Annotation	(3R)-hydroxyjuniperic acid
Peak:m/z	Relative Intensity
59.01379	100.0
60.01698	0.8
61.74499	0.7
67.30329	0.9
70.35896	0.7
71.01373	1.4
83.05054	0.8
96.95995	5.5
99.92551	0.9
106.72948	0.6
131.17143	0.7
223.20505	1.2
227.19958	1.7
269.21011	2.1
274.10257	1.0
287.12970	4.3
287.22031	58.3
288.22559	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	288.0766
Annotation	Bouchardatine
Peak:m/z	Relative Intensity
59.01379	7.0
70.12978	1.8
78.95879	0.4
83.00539	0.4
90.97162	1.5
96.96932	0.6
128.07198	0.4
130.08737	100.0
131.09058	1.9
132.98196	1.1
141.98251	0.9
142.96632	1.4
146.91518	0.4
156.91295	0.7
160.97652	2.0
174.99226	1.0
184.97667	1.8
191.05544	2.0
201.04138	0.5
202.98755	1.6
226.11990	0.4
227.97798	1.8
228.07358	0.6
244.05002	2.9
246.06615	2.8
288.07651	60.9
289.02502	1.1
289.07843	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	288.1605
Annotation	Mesembrine
Peak:m/z	Relative Intensity
59.01370	0.7
61.38161	0.2
71.52259	0.2
71.52670	0.3
71.53044	0.2
81.03455	1.2
92.05072	0.9
93.03463	1.9
99.92573	0.5
107.03779	0.5
108.02188	0.2
108.04552	5.3
109.02947	5.3
121.02959	0.4
124.01685	0.4
131.27574	0.2
134.02480	37.4
135.03291	8.5
136.04041	39.6
137.02481	1.3
137.04361	0.9
147.04596	0.4
148.04039	1.4
149.04866	1.4
156.91760	0.2
176.03534	3.8
176.07089	0.3
177.04289	0.5
181.03873	0.4
190.05084	0.5
200.14589	0.3
204.06702	0.5
236.80247	0.2
260.16525	0.3
288.16043	100.0
289.16370	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	287.0563
Annotation	naringenin dibenzoylmethane tautomer
Peak:m/z	Relative Intensity
55.96165	0.3
57.03449	12.8
59.01382	1.5
63.57239	0.3
66.76443	0.3
69.17265	2.6
71.01358	0.3
81.03465	0.8
83.01392	0.9
98.19920	0.6
98.92221	0.3
125.02448	100.0
126.02777	2.3
133.02988	1.3
135.04510	0.4
137.02480	0.5
139.04057	0.3
149.02458	0.4
161.02444	9.9
161.03773	0.5
162.03221	2.8
164.01135	2.8
165.01944	0.7
189.54338	0.3
199.03984	0.4
201.05618	0.6
202.02834	0.4
208.92995	0.3
219.06644	0.5
227.12912	0.5
228.04347	0.3
231.48550	0.3
243.06645	1.5
244.03862	0.4
244.07054	0.3
245.04665	0.4
259.06088	1.0
269.04523	0.4
287.05624	11.7
287.15060	0.9
287.18613	1.1
288.05841	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91751	0.4
59.01371	1.2
59.70612	0.4
60.98328	0.4
69.69015	0.8
69.69415	2.1
71.01369	0.6
72.99306	0.4
73.53999	0.5
78.55517	0.4
79.95744	2.5
80.35976	0.4
96.96009	100.0
98.19952	0.7
117.07130	2.5
125.02453	1.3
132.17928	0.4
166.14607	0.5
223.05222	0.4
253.64723	0.5
269.07260	0.5
286.98355	1.4
287.13220	71.8
287.22012	2.6
288.13525	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	285.2071
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
53.13328	0.6
57.03447	0.9
59.01369	1.1
69.03428	0.6
70.72121	0.9
70.72457	1.2
79.31104	0.5
90.24382	0.6
113.78056	0.6
117.78616	0.6
123.04547	1.4
223.20659	68.5
223.61009	0.6
224.21034	3.2
241.21794	1.6
267.19641	37.9
268.19922	1.8
269.47125	0.6
285.04001	2.8
285.13898	2.7
285.20706	100.0
285.27164	2.3
286.21033	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	286.2389
Annotation	Prosopinine
Peak:m/z	Relative Intensity
54.16220	0.3
59.01373	0.4
60.27194	0.2
61.98837	0.4
70.02979	1.1
70.85638	0.5
74.06120	2.2
94.27827	0.3
96.96010	0.8
99.77119	0.3
117.07112	1.3
118.05098	1.0
163.92897	0.3
204.48787	0.3
240.23320	3.2
242.21211	1.7
242.24896	0.6
268.22827	0.9
274.34796	0.3
286.23862	100.0
287.02005	0.3
287.13370	0.6
287.16452	1.1
287.24246	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	284.1254
Annotation	HC Blue No. 2
Peak:m/z	Relative Intensity
52.67585	0.8
54.45738	0.9
55.59555	0.9
58.02937	1.1
69.74383	2.5
69.74778	1.4
71.01376	2.9
76.30376	0.8
82.02977	2.5
83.06150	8.8
84.04547	2.2
85.04062	1.6
88.04037	2.7
99.05653	0.9
101.07217	2.4
109.04072	2.1
111.00889	0.9
111.05614	2.0
113.07209	55.6
114.05570	2.4
114.07576	0.9
115.00413	1.1
123.04527	2.1
125.88254	0.8
127.05146	20.2
128.03545	3.8
132.03072	2.0
138.05588	1.5
139.08768	3.6
145.06181	6.6
152.08275	1.4
155.08331	1.2
156.06636	2.0
171.07761	1.0
178.09930	1.7
180.11417	90.2
181.09970	2.2
181.11731	2.5
182.09218	1.3
198.12466	77.4
199.12802	2.4
203.39995	0.8
206.09355	2.9
211.01602	0.9
222.12408	1.1
224.10410	13.6
225.10846	1.2
240.13547	3.8
242.11446	6.0
249.00188	1.3
266.11444	48.3
267.09451	1.3
267.11945	1.7
283.26590	1.2
284.12500	100.0
284.26776	8.2
285.03741	2.1
285.12799	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0768
Annotation	Brazilin
Peak:m/z	Relative Intensity
57.01826	0.8
59.01365	2.3
61.44455	0.6
61.98798	0.9
65.08000	0.7
71.39099	0.7
78.95880	1.7
85.02940	1.0
93.21928	0.7
96.96011	0.8
105.38295	0.7
120.65999	0.6
123.04480	1.3
127.03954	0.7
155.08699	4.6
164.80627	0.7
169.02925	0.9
173.02414	1.9
175.00279	1.0
183.04587	1.6
185.06093	0.8
185.09698	2.1
187.03925	0.7
196.05356	1.5
197.06035	2.4
198.06842	2.0
199.07683	1.3
201.01872	3.3
201.05553	3.3
208.05193	2.3
211.04018	5.7
211.07573	0.8
212.04747	2.2
213.05518	1.1
213.09140	1.4
216.04282	5.7
217.05069	0.7
223.07608	1.0
225.05591	1.1
229.05028	1.1
239.07109	4.3
241.05066	13.0
242.05687	2.4
248.03282	7.5
257.08182	53.3
258.08505	2.8
267.06607	70.0
268.06882	2.7
284.26700	2.8
285.04083	13.8
285.07626	100.0
285.20685	1.3
285.27081	1.8
286.04611	1.4
286.07974	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	283.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34703	2.3
57.03455	16.2
58.00580	7.4
59.01382	86.1
60.99312	2.2
67.05507	3.5
69.03459	14.4
71.01377	15.2
71.51846	3.4
72.99327	4.1
73.02950	10.1
75.00871	3.8
77.04015	2.3
79.95728	2.7
81.03468	5.1
83.05025	16.2
85.02930	3.0
89.02428	5.1
93.03465	7.5
93.07093	3.5
95.05023	15.3
96.96025	4.4
97.06585	46.5
99.08170	9.7
102.98608	3.1
105.07168	2.3
107.05022	8.6
109.06585	33.5
111.04496	8.8
111.08171	33.7
113.06091	15.3
119.05034	6.1
121.06593	16.8
123.04488	3.2
123.08172	55.1
125.06079	6.9
127.07669	14.5
135.08167	5.1
137.06090	5.1
139.07635	13.5
141.05586	62.4
143.07162	12.2
148.01675	2.8
149.02403	2.9
149.09682	5.5
153.05568	3.8
155.07146	32.3
159.11723	16.0
161.09798	2.7
163.06033	2.4
171.06654	8.9
175.11205	2.8
177.12845	30.7
193.12370	3.6
195.10344	4.5
203.10794	4.4
208.99139	15.1
221.11806	40.1
239.12907	31.0
265.01932	3.7
265.10971	3.1
268.07220	4.4
283.01523	3.4
283.06042	6.4
283.12097	48.0
283.15341	3.8
283.26419	100.0
284.12201	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	283.1703
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
56.16103	0.4
70.27035	1.9
71.06052	0.4
80.23121	0.4
87.65865	0.4
95.05041	0.5
107.05026	100.0
108.05367	2.2
123.04497	0.6
142.11333	0.4
147.08134	0.6
152.92056	0.4
163.11282	99.4
164.11597	3.6
262.98862	0.5
270.98785	0.5
283.17023	90.1
283.26321	17.1
284.17340	6.4
284.26672	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00338	0.7
53.02227	0.7
59.01371	4.6
68.00662	0.8
68.01043	0.9
68.01414	16.5
68.99825	3.5
69.03455	23.5
70.02988	3.1
71.01387	3.5
75.00861	1.9
76.01210	0.9
76.22473	0.8
82.02991	1.6
83.01402	0.8
83.05035	7.4
85.02950	1.1
92.69774	0.8
93.03436	1.1
95.05027	1.1
98.02506	0.8
99.00876	1.2
101.02480	1.2
109.01739	1.3
109.02953	21.8
113.02420	1.2
119.05056	1.1
120.05364	2.8
121.02978	2.1
122.02490	3.1
122.06133	6.2
123.03269	9.8
124.04068	1.0
124.07693	1.2
130.06584	0.9
135.03021	5.9
136.03336	2.7
136.07660	1.6
137.04855	3.5
137.06036	0.9
138.05611	100.0
139.03973	1.8
139.05948	2.1
145.02966	1.5
148.07715	1.5
150.09271	1.0
152.07182	10.5
162.01949	0.8
163.04018	2.1
164.04372	3.4
164.07182	2.1
167.05858	7.5
177.04317	1.0
180.06682	8.7
192.06660	65.2
193.07027	2.0
194.08243	1.0
208.99103	1.2
211.07655	2.0
221.06096	1.4
222.07077	1.2
235.67737	0.7
235.77954	0.8
239.07185	4.8
250.06386	2.3
251.13010	0.7
266.05899	1.4
267.06595	21.6
268.07175	2.2
280.73926	0.8
282.09763	55.0
283.09839	3.8
283.26404	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	282.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31689	0.5
57.03424	0.8
59.01385	3.3
67.01920	0.7
68.01417	15.6
68.99816	2.7
69.03455	25.2
70.02973	2.9
71.01401	3.2
71.51981	0.7
71.52426	0.7
72.76049	0.6
73.02943	1.0
82.02958	1.5
83.01358	0.7
83.05031	6.2
85.02958	1.4
87.00888	0.7
94.06654	0.7
95.05014	1.1
96.95997	1.1
99.00890	0.8
101.02498	1.1
109.02939	2.1
110.02496	1.0
113.02440	1.0
119.05006	0.8
122.02460	2.8
122.06142	7.5
123.03271	9.0
124.04058	1.6
133.01436	0.6
134.03748	2.0
135.01909	0.8
135.03172	0.8
135.04195	1.0
137.04832	3.0
138.05612	100.0
139.04018	2.5
139.05960	2.2
141.01953	0.7
146.03705	1.3
148.07744	1.0
150.09212	0.8
152.03543	1.0
152.07167	8.8
159.04602	1.3
163.04066	1.6
164.04372	2.3
164.07161	2.4
167.05885	8.0
176.07086	0.6
177.04324	0.9
179.05884	1.2
180.06702	6.7
183.05464	0.9
192.06664	61.3
193.05132	1.1
193.07036	2.0
194.05435	1.6
194.08136	1.2
204.06645	1.6
208.00745	4.2
208.99194	1.2
222.07800	0.8
239.07137	0.6
241.68051	0.6
255.06473	1.2
267.06638	3.1
268.07318	3.3
282.09869	46.3
283.06543	1.3
283.09897	5.3
283.26401	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	281.1759
Annotation	Gallicynoic acid C
Peak:m/z	Relative Intensity
57.03437	3.0
58.00583	1.9
59.01384	19.6
59.01856	1.6
69.03452	5.5
69.25204	5.6
69.25618	8.9
70.37162	1.7
71.01382	6.2
71.05011	3.6
73.02966	3.8
83.05029	3.7
84.55042	1.8
85.02978	2.2
89.02431	2.6
93.03505	1.7
93.07142	1.8
95.05025	5.7
97.02953	6.7
97.06598	9.2
98.19928	3.9
101.02438	1.9
109.06603	4.7
111.04556	1.7
111.08170	30.7
119.08655	3.4
121.10249	2.7
123.08148	5.6
125.06107	3.6
125.09714	10.3
127.07614	4.6
135.08148	4.6
137.02400	3.0
137.09720	14.6
139.11307	6.1
141.09206	4.0
143.07149	21.8
145.05972	1.5
149.09732	4.4
151.07603	4.1
151.11134	2.1
153.09177	11.3
155.10750	7.1
161.04617	2.6
163.03929	3.1
165.09145	2.0
165.12863	4.0
169.08704	100.0
170.08955	3.3
171.10258	5.3
181.08698	1.5
183.10262	32.5
193.08719	2.3
199.09805	4.0
201.16536	2.9
219.17532	10.0
226.08485	2.9
235.17018	7.9
237.14923	4.9
237.18655	4.2
245.04298	1.6
245.15486	2.1
263.16504	27.7
279.64920	1.8
281.06772	2.7
281.14136	5.6
281.17569	69.4
281.24710	11.1
282.17947	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	282.0843
Annotation	Guanosine
Peak:m/z	Relative Intensity
59.01366	0.4
61.98852	0.2
63.51188	0.2
66.00970	0.6
66.43056	0.2
71.10722	0.5
73.02928	0.3
78.95918	0.4
82.04101	1.1
86.60136	0.2
107.03639	4.0
108.02037	9.8
109.02336	0.3
125.19560	0.3
126.03092	4.1
133.01563	32.0
149.65260	0.3
150.04210	100.0
151.02655	0.5
151.04674	1.6
152.63513	0.3
163.03964	0.3
164.04410	0.6
164.05649	0.3
282.08432	27.9
283.08716	1.1
283.26413	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1758
Annotation	Gallicynoic acid C
Peak:m/z	Relative Intensity
57.03431	2.5
59.01378	42.0
65.03973	3.4
69.03436	9.7
71.01367	5.9
71.05006	4.1
72.74789	2.7
73.02931	2.7
79.95744	7.4
81.03440	8.2
83.05025	72.6
85.02921	4.6
85.06639	2.6
93.03439	5.8
95.05010	4.2
97.06571	10.6
97.44634	2.8
98.20631	7.8
99.04445	2.4
101.02415	3.4
108.05779	4.3
111.04489	9.5
113.02406	2.4
116.92818	2.6
121.06579	2.4
123.08129	4.1
127.04016	19.8
129.05576	15.3
135.11678	3.5
137.02425	4.3
141.05547	10.8
153.12857	27.6
163.04012	2.9
167.40691	2.4
169.12305	3.6
182.77132	2.7
191.14421	3.0
201.16449	8.0
209.15425	2.9
217.16045	2.6
219.17563	12.8
237.14989	3.9
237.18494	9.5
263.16498	13.3
281.07166	3.9
281.12097	100.0
281.17355	50.8
281.20959	3.5
281.24756	9.0
282.12335	7.0
303.00537	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	281.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.4
59.01376	7.7
69.03452	2.5
71.01402	1.1
93.07120	2.0
95.05020	2.5
97.06599	2.5
101.91727	1.1
109.06606	3.5
111.08157	37.7
118.20699	1.2
119.08675	1.3
121.10191	2.5
123.08141	4.4
125.09724	14.9
127.07677	2.0
135.08186	2.4
137.09746	2.3
139.11290	4.2
141.09203	5.0
143.07137	1.8
147.11832	1.3
151.07623	3.9
153.09190	6.0
155.10754	3.5
163.23273	1.1
165.09190	2.5
165.12862	1.6
169.08698	100.0
170.08963	3.0
171.10245	5.2
178.21776	1.3
183.10239	17.9
194.09300	1.3
199.09732	4.0
201.16493	1.9
212.26581	1.5
219.17516	6.8
235.16997	11.2
237.14970	4.3
263.16519	18.5
274.31033	1.7
281.12411	6.1
281.17557	36.3
281.24567	2.7
282.17999	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	281.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.1
57.92316	0.6
59.01380	11.8
62.20063	0.8
67.34236	0.7
71.01370	2.6
71.83123	0.8
73.02943	0.9
79.95731	1.8
83.05022	3.0
85.02956	1.1
89.02474	1.3
93.03447	1.4
95.04983	1.6
96.96001	2.2
97.02981	0.9
97.06593	3.3
98.03711	1.1
98.19855	1.8
101.02448	0.7
109.06618	1.0
111.08157	1.9
113.02503	1.0
113.09751	4.0
115.07676	1.0
123.08164	2.0
125.06066	1.6
126.59369	0.8
127.07655	0.9
137.02437	1.8
137.09700	5.2
139.07654	3.9
139.11298	4.1
141.09201	9.7
143.07132	0.9
147.08130	1.0
149.09628	1.1
151.11292	1.1
153.09210	3.7
155.10791	2.1
161.04535	0.9
163.03960	1.3
165.09210	2.6
165.12840	17.4
167.10765	2.9
183.10303	3.1
185.11913	1.2
190.13580	1.0
191.14424	2.7
193.12343	1.0
212.10556	3.7
219.17519	12.9
237.14984	1.6
237.18472	5.9
245.15475	2.7
253.18074	1.6
263.16498	33.0
264.16956	1.3
281.12637	8.4
281.17563	100.0
282.17917	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1758
Annotation	Fumagillol
Peak:m/z	Relative Intensity
53.05828	2.1
57.03439	4.1
59.01382	31.4
63.73470	1.9
66.30088	1.9
66.30483	2.0
67.01903	4.9
69.03457	21.8
69.15170	21.4
69.79079	2.0
71.01386	4.6
71.05014	4.1
80.02660	2.9
81.03456	4.5
83.05014	10.8
84.02203	2.8
85.02958	5.2
90.73362	2.2
93.03434	5.2
95.01386	4.1
95.05017	8.9
97.02951	51.3
97.06589	27.1
99.08134	2.8
107.05028	3.2
109.06586	2.8
111.08167	9.6
119.05104	2.1
119.08636	4.4
121.10205	6.7
123.08137	5.9
125.09737	4.0
128.53931	2.0
133.06555	2.6
135.04546	2.5
135.08144	9.9
137.02464	4.9
137.09718	19.3
139.07654	3.1
139.11267	2.5
143.07153	26.3
149.09712	5.6
151.11240	5.0
153.09200	5.1
155.10791	12.1
157.08731	3.5
163.03999	3.6
165.09209	7.3
165.12854	18.7
169.08722	11.8
177.12856	3.0
181.08705	12.8
183.10327	13.8
195.10190	3.1
197.11842	5.7
199.09718	19.9
219.17525	53.9
220.17888	3.3
221.06694	2.3
245.15558	4.4
263.16510	100.0
264.16776	5.2
281.08109	3.3
281.12186	9.3
281.17557	89.6
281.20844	4.9
281.24820	9.6
282.17905	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	279.2329
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
59.01382	1.3
71.01389	0.2
77.91015	0.2
83.05019	0.2
96.95970	0.3
108.60725	0.2
115.92088	0.5
116.98666	0.2
119.01369	0.3
143.72125	0.2
161.38393	0.2
261.22217	0.6
279.23273	100.0
280.23633	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	281.0665
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57518	0.4
59.01381	1.1
67.01890	1.1
69.03455	0.9
69.52553	3.1
71.01385	0.9
73.02943	5.9
75.00893	1.0
81.03464	0.5
91.05488	0.8
93.03452	1.3
95.01415	0.8
96.96051	0.9
98.19948	0.9
101.02464	0.9
105.03470	2.1
105.07085	1.6
107.05035	1.1
109.02940	3.4
115.05520	0.5
117.01952	0.5
117.07111	2.5
118.04266	1.4
119.05042	3.3
121.02982	0.9
121.06584	0.5
123.00883	1.3
123.04522	1.5
124.01689	1.1
132.02179	1.3
133.02934	1.9
133.06601	12.0
134.03694	0.8
135.02950	1.6
135.04523	15.6
137.02457	1.0
143.05037	0.9
145.02951	0.8
148.01613	1.0
149.02422	1.6
149.06094	3.5
151.04007	3.9
159.04486	1.6
161.02431	0.6
161.06076	9.8
162.03214	1.8
163.04008	100.0
164.04341	2.7
167.03500	1.1
176.01233	0.8
176.04787	0.6
177.01924	5.0
177.05556	8.3
187.03993	1.3
189.01949	0.8
190.02713	2.1
193.05000	1.2
203.03444	1.3
205.05049	33.9
206.05412	0.8
209.04440	2.4
209.08118	0.6
219.06642	1.6
221.04475	1.1
222.01791	0.9
231.03006	5.2
235.06306	0.5
235.62840	0.5
237.07678	24.6
238.08090	1.0
249.04033	7.3
253.04956	0.5
263.05563	2.9
281.06662	43.6
282.07083	1.7
299.72501	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
57.83628	0.6
58.00580	0.6
59.01385	5.3
65.52137	0.5
68.01414	3.6
68.99801	0.6
69.03452	5.0
69.44346	0.9
69.44756	3.3
70.02974	1.0
71.01380	2.8
72.99313	3.0
73.02943	0.8
75.00874	26.6
83.05028	1.5
85.02945	0.9
87.00887	0.8
87.22286	0.6
89.02442	5.7
93.03457	1.4
96.96000	2.2
98.20617	1.3
102.23694	0.6
109.02940	2.6
117.01969	1.7
117.03507	1.2
119.05032	48.4
119.85228	0.6
120.05346	1.4
121.02951	0.8
122.02472	0.5
122.06113	1.1
122.96886	0.5
123.03245	2.0
133.06635	0.7
135.03001	100.0
136.03310	0.9
138.05608	20.3
145.02942	1.7
149.02426	1.7
151.04016	0.6
152.07184	2.2
163.04013	77.0
164.04404	1.9
167.05821	0.7
171.04939	0.6
180.06664	2.0
192.06660	12.0
208.99124	5.0
237.11438	0.7
239.07103	0.7
267.06537	2.1
281.06851	2.3
281.10571	1.6
281.13956	2.1
281.24817	0.8
282.09836	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	279.1602
Annotation	Acrostalic acid
Peak:m/z	Relative Intensity
57.03427	15.2
59.01376	40.0
69.03446	6.8
71.01380	38.3
71.31932	6.2
71.32273	6.2
73.02924	5.2
83.01383	7.0
83.05027	32.2
85.02948	12.8
93.03458	8.7
95.05020	8.9
97.02904	6.6
97.06583	43.4
101.02421	4.9
107.05000	8.7
109.02918	8.7
109.06558	15.6
111.08123	12.9
113.02411	5.4
119.05005	10.0
119.08640	8.9
121.06554	9.4
123.04517	8.3
123.08171	47.7
124.05239	5.4
125.06039	6.3
125.09740	12.8
134.80748	4.4
135.04483	4.5
135.08130	15.2
137.09727	30.7
139.07637	8.0
139.11255	4.7
141.09148	5.8
145.06532	6.2
151.07620	19.2
153.09256	28.4
155.10757	19.2
163.03926	10.6
163.07635	48.9
163.11258	26.4
181.08691	38.8
181.12370	31.6
189.12886	5.5
196.07434	5.8
207.13844	6.7
207.17590	10.0
215.71989	4.4
217.15973	76.0
218.16226	5.3
235.17056	41.0
261.14896	27.1
279.12869	7.7
279.16049	100.0
279.19104	7.4
279.22968	25.8
280.16537	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	279.2327
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
54.23902	0.6
54.50021	0.7
58.88881	0.7
59.01410	0.8
60.71495	0.7
70.82717	1.5
87.38728	0.8
89.21444	0.7
111.25564	0.7
143.81363	0.7
160.35057	0.7
208.84123	0.8
261.22131	0.9
279.23282	100.0
280.23672	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50017	0.9
57.03451	6.7
59.01381	49.0
60.55145	1.1
61.24743	1.0
67.01881	2.5
68.99809	1.1
69.03449	5.7
70.18371	1.0
70.24079	3.7
70.89226	0.9
71.01384	3.7
71.04972	1.0
80.02667	1.8
81.03457	7.0
83.01387	4.2
83.05026	11.5
85.02938	2.6
92.79301	1.0
93.03449	1.8
95.01379	1.4
95.05023	16.3
97.02455	0.7
97.02946	27.4
97.06587	30.6
97.18581	1.0
98.03731	2.0
98.06951	1.3
106.04243	1.9
107.04994	1.6
109.02927	1.3
109.06580	4.2
109.47478	1.1
111.08151	2.2
113.06088	1.8
113.09702	3.0
117.07109	1.1
119.05055	2.0
119.08686	1.4
121.02910	1.0
121.06589	2.5
121.10235	4.4
123.04539	7.4
123.08118	1.8
124.05305	1.9
125.06068	2.0
125.09731	1.9
131.05013	1.6
133.06595	6.2
135.08147	12.4
137.09729	15.3
139.07637	14.2
142.02702	1.1
145.06628	1.2
147.08101	1.4
149.06068	2.2
149.09731	6.4
151.07637	3.1
153.09216	5.0
157.08678	3.7
161.06059	1.2
161.09679	4.1
163.03998	1.7
163.07635	7.7
163.09869	1.9
163.11279	34.7
164.08336	1.3
164.11607	1.4
165.09163	4.1
175.11310	2.5
179.07091	1.1
179.14598	1.0
181.08710	10.3
181.12325	13.6
184.35886	0.9
187.11324	1.0
189.12804	7.3
197.08107	5.2
199.14813	3.2
209.08191	1.4
211.16931	1.9
217.15952	100.0
218.16301	4.5
219.13722	1.5
235.17039	5.4
243.13866	1.2
261.14941	29.3
262.15286	1.4
279.15927	34.2
279.23215	2.7
280.16235	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93154	2.2
57.03445	5.3
59.01379	48.2
63.60931	2.1
67.01888	4.3
69.03435	6.4
70.56673	7.0
71.01376	7.5
81.03464	4.2
81.50069	2.2
83.01386	3.2
83.05009	9.9
85.02934	2.9
95.01400	2.6
95.05027	18.3
96.96021	2.5
97.02959	22.3
97.06595	31.2
98.03735	3.4
99.76161	1.9
101.02451	4.0
106.04241	3.6
109.06585	5.8
111.04506	3.6
111.08109	3.4
113.06078	5.2
113.09721	3.5
119.05027	3.5
121.06530	4.2
121.10242	3.2
123.04532	6.3
123.08147	3.7
124.05291	3.0
125.06078	2.6
133.06572	7.6
135.04483	2.3
135.08150	12.0
137.06085	2.8
137.09737	12.3
139.07631	8.3
149.09705	9.1
151.07622	3.5
153.09206	5.9
157.08670	4.8
160.08911	2.2
161.09753	2.5
163.04030	3.5
163.07576	7.6
163.11285	31.2
165.09164	3.6
175.11287	4.4
181.08688	8.3
181.12331	16.2
183.10214	2.7
189.12842	5.2
197.08125	2.8
199.14801	2.6
209.08177	2.6
217.15970	100.0
218.16241	6.1
235.17020	5.9
243.13882	4.6
254.62730	2.3
261.14960	37.6
262.15320	2.2
279.10733	3.9
279.15982	41.9
279.19302	3.0
279.23135	12.6
291.11874	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	279.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50882	1.1
55.75133	1.2
57.03451	1.6
58.00593	2.6
59.01379	100.0
61.98841	2.4
66.04245	1.2
68.30470	1.1
71.01382	69.5
71.05014	3.3
71.09469	1.6
71.09800	1.9
72.99320	5.7
73.02959	2.8
78.95941	1.8
83.01391	2.7
85.02940	11.8
87.00897	3.1
88.04046	1.1
89.02448	81.7
95.01391	4.1
96.95995	2.3
96.96944	3.1
99.04523	4.3
99.92610	1.8
101.02445	43.1
113.02451	26.6
117.05564	17.0
119.03507	35.0
119.05017	2.2
124.57206	1.4
127.04205	1.4
131.03496	3.3
132.03062	2.7
134.03632	1.6
135.04527	1.9
143.03500	3.2
147.04478	1.8
149.04578	2.2
161.04530	2.6
163.04005	2.5
175.03987	1.6
178.09047	1.1
179.05540	3.8
188.52565	1.1
217.08704	1.3
243.57603	1.1
279.05707	2.6
279.10870	53.3
279.23233	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	279.124
Annotation	9'-HOABA
Peak:m/z	Relative Intensity
57.03452	16.6
57.24825	0.9
59.01373	3.1
59.92141	1.0
69.03458	1.5
71.01000	0.9
71.01369	4.3
71.52135	1.5
75.06730	1.0
79.05518	1.3
79.91483	1.1
80.96502	1.4
81.03445	2.1
83.05015	3.4
85.02943	3.2
85.06592	1.0
93.03458	1.2
95.05020	3.9
96.96011	13.1
97.02946	8.3
97.06566	3.2
99.04517	1.3
101.02435	2.7
103.04009	12.8
107.05032	3.5
108.02180	1.0
108.05355	1.3
109.02954	7.7
109.06600	7.3
111.04552	6.1
115.00338	1.5
117.03458	2.9
119.05019	4.0
119.08690	3.1
121.02944	1.4
121.06616	6.6
122.03751	20.6
123.04500	4.4
123.08115	2.0
124.05301	21.5
125.06142	5.1
129.07478	1.0
132.02159	3.5
133.01337	2.2
134.03749	41.3
135.04543	14.6
135.08167	1.4
136.04871	3.7
137.05038	5.7
137.06081	15.0
139.07654	100.0
140.07983	1.4
145.10283	1.2
147.04535	1.8
147.08170	4.7
148.05284	1.4
149.06064	6.8
150.03241	2.1
151.03886	1.3
159.04465	1.7
159.08008	1.2
160.01660	12.7
162.03256	1.4
162.06885	1.6
163.03958	5.7
163.07623	2.2
163.11249	2.5
165.09163	1.4
168.07928	24.9
169.08707	2.5
169.10141	1.2
171.08125	3.0
175.03998	19.6
175.07610	2.0
175.11243	2.5
177.01921	1.6
177.12886	2.7
180.07898	1.4
185.09726	1.3
187.11284	20.7
189.09196	2.2
190.06294	2.1
190.09999	5.4
191.07150	1.5
193.05048	31.5
194.05292	1.3
201.09161	2.6
203.07083	1.3
205.08705	2.2
205.12332	37.1
206.12668	1.8
217.12086	2.0
218.05812	5.8
219.06487	1.7
219.10236	1.3
235.13322	4.5
247.05957	2.2
247.07266	1.3
247.09723	16.4
249.11290	2.4
261.10434	1.4
279.08929	11.9
279.12271	14.2
279.23157	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2171
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
50.63571	0.4
51.47538	0.4
57.01514	0.4
59.01936	0.5
68.10336	0.5
69.51775	2.7
98.20621	0.9
135.17816	0.6
196.35616	0.5
259.20575	0.8
277.21707	100.0
278.22049	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	279.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
63.12679	1.6
69.23709	1.9
69.24027	16.0
71.01389	9.1
72.99299	2.3
93.03458	1.7
115.00370	26.7
119.05030	25.4
133.01427	100.0
133.05522	1.5
159.75522	1.5
163.04004	32.2
195.29868	1.7
241.59096	1.6
269.78671	1.5
272.06750	1.8
301.75479	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29532	1.0
54.96742	0.9
58.22914	0.9
69.88478	4.3
71.01380	12.8
79.60744	0.8
86.43051	0.9
98.20553	1.3
98.44172	1.0
109.71198	0.9
115.00381	10.0
115.21304	1.2
119.05032	38.4
120.05376	1.5
128.17114	0.9
133.01437	14.7
145.37993	0.9
152.54420	1.0
154.23517	1.0
163.04016	100.0
164.04303	3.5
168.08226	0.9
241.09752	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1086
Annotation	Hymenoside W
Peak:m/z	Relative Intensity
51.45749	1.1
53.18449	1.0
58.00580	3.6
59.01381	100.0
61.98832	2.0
70.70511	1.4
70.70853	2.2
71.01382	60.4
71.05010	1.8
72.99313	5.4
73.02936	2.8
78.95928	1.5
79.05737	1.1
80.96535	1.5
83.01408	1.4
85.02953	12.2
87.00879	2.6
89.02445	71.4
90.02765	1.4
95.01413	5.1
96.96976	2.3
99.04514	7.7
99.92558	1.1
101.02447	37.1
107.31624	1.0
113.02444	25.1
115.92090	1.6
116.92806	1.1
117.05585	7.9
119.03502	33.6
119.04959	1.5
131.03531	2.3
132.03023	1.9
143.03517	2.6
149.04543	2.0
161.04578	2.9
174.35312	1.1
179.05594	6.2
279.10849	58.9
279.23264	3.7
280.11389	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1809
Annotation	4-epi-7alpha,15-dihydroxypodocarp-8(14)-en-13-one
Peak:m/z	Relative Intensity
52.66820	5.0
57.03429	8.6
57.98149	4.3
59.01372	19.9
60.81200	4.4
67.10638	5.2
70.90493	8.2
71.01369	10.3
81.07069	14.0
83.05032	15.9
85.02971	6.4
90.59068	5.3
97.06593	9.1
107.05000	7.9
109.02988	6.7
109.06560	11.3
121.02940	5.8
135.04544	50.5
139.73344	5.1
157.08594	5.7
160.98810	8.1
179.10762	6.8
189.09151	9.8
205.08765	4.9
213.16524	56.7
215.14302	9.2
215.17961	11.6
229.15913	10.6
230.12936	5.4
233.11815	7.8
233.15399	13.9
259.13339	8.8
259.17001	5.8
264.36066	4.9
277.10782	21.9
277.14423	19.0
277.18045	100.0
277.21640	45.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79613	0.7
59.01374	3.8
70.07853	2.9
73.79594	0.8
74.74481	0.6
77.77317	0.6
83.05017	0.8
85.06837	0.6
103.48569	0.7
135.04552	0.7
170.32825	0.7
196.38498	0.7
233.22777	1.1
259.20749	0.9
277.18567	3.3
277.21704	100.0
278.22073	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2171
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
57.52777	0.3
59.01383	4.0
69.15407	2.4
70.00063	0.2
71.01403	0.5
79.95750	0.3
83.05040	0.3
90.66000	0.2
93.66190	0.3
98.20655	0.6
127.07653	0.5
135.04527	0.6
160.98781	0.2
205.15948	0.8
233.18968	0.4
233.22762	0.7
245.08142	0.3
259.20541	0.3
275.20285	0.5
277.18350	6.6
277.21701	100.0
278.18726	0.5
278.22018	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	5.6
60.58640	0.2
61.98805	0.2
65.78120	0.2
70.92806	0.5
71.01377	0.7
76.52342	0.2
79.95773	0.3
83.05032	0.4
89.00319	0.9
92.99793	0.3
96.96020	0.2
97.06544	0.3
97.72570	0.2
101.65815	0.2
121.02952	0.4
127.07648	0.3
133.02979	0.4
133.71259	0.2
134.03722	0.2
135.04494	1.2
140.22110	0.2
160.98782	0.9
161.02403	0.4
173.02296	0.2
188.98256	0.2
204.97725	0.5
205.15988	1.0
223.11894	0.3
232.97229	0.5
233.11795	0.3
233.15367	0.3
233.19122	0.7
233.22690	0.5
259.20767	0.6
262.12158	0.4
275.20233	0.6
276.96262	0.3
277.18265	8.1
277.21695	100.0
278.18539	0.7
278.22055	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1446
Annotation	alpha-Cehc
Peak:m/z	Relative Intensity
55.65892	3.2
57.03448	5.5
57.92443	2.5
59.01382	14.4
66.32845	2.5
69.03471	4.0
71.01393	6.4
71.05022	55.0
71.52488	3.9
73.02969	4.2
75.54522	2.9
81.03484	3.4
83.05045	9.8
91.05553	4.1
95.05052	6.7
97.06612	4.6
107.05073	9.5
109.06586	60.4
111.04517	19.5
112.48202	3.0
121.03004	5.4
123.04660	3.5
135.04521	44.4
137.06090	3.9
147.04630	3.3
147.08192	12.0
150.06876	3.8
161.09718	30.6
165.09198	67.7
165.10495	3.7
175.07690	6.0
175.11378	4.9
177.09239	4.6
177.12814	32.5
178.05098	20.7
179.05440	31.7
179.10826	4.4
196.29010	3.5
203.10710	4.0
215.10909	5.9
215.14366	33.9
215.16251	3.8
221.11885	4.7
225.08084	3.9
233.12041	4.8
233.15428	20.7
246.63881	3.1
259.13336	49.8
277.11008	9.2
277.14572	100.0
277.18167	11.9
277.21469	31.0
278.14844	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	277.1661
Annotation	Fissoldhimine
Peak:m/z	Relative Intensity
59.01456	3.3
60.97566	0.4
71.01434	0.4
103.02229	1.5
116.31480	0.3
121.03271	3.0
129.07373	0.4
135.04604	1.3
145.02840	0.3
146.99475	1.1
147.08470	5.1
147.09540	0.4
149.01024	0.6
163.02542	0.3
165.00439	10.9
177.09239	0.4
185.59219	0.3
189.00021	0.3
189.04124	1.3
191.05646	12.1
192.05801	0.4
205.07231	1.9
205.15950	1.5
207.05167	0.4
217.07161	0.5
223.95508	0.3
231.08833	1.5
233.10329	100.0
234.10495	5.6
259.15442	1.0
260.15604	0.3
277.16534	83.3
277.21616	12.6
278.16702	7.5
278.21652	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1808
Annotation	[S-[R*,S*-(E)]]-6-[6-(Acetyloxy)-1,5-dimethyl-4-hexenyl]-3-methyl-2-cyclohexen-1-one
Peak:m/z	Relative Intensity
59.01373	6.3
67.11503	3.5
69.29903	26.4
69.30320	8.2
70.98101	3.4
71.01408	5.0
81.07088	15.0
83.05074	3.6
98.20728	4.9
107.04993	4.0
109.06588	52.9
126.35915	3.5
126.86310	3.7
135.04547	32.9
137.09637	3.6
161.06145	7.3
177.09177	4.0
181.02682	3.8
188.07994	4.1
189.09102	4.3
190.09579	9.8
205.15956	7.5
213.16504	43.4
215.10605	8.2
215.18011	8.5
229.15898	11.3
233.11751	10.7
233.15468	7.8
277.07343	4.5
277.10742	22.4
277.14441	37.1
277.18030	100.0
277.21341	10.1
278.18240	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	277.108
Annotation	(+)-Etharvendiol
Peak:m/z	Relative Intensity
53.98234	0.2
54.59359	0.2
59.01379	1.0
65.51530	0.2
68.38604	0.2
69.56413	0.4
69.56827	1.0
71.01385	1.5
74.15446	0.2
79.05505	0.3
83.01353	0.3
91.05535	5.0
93.03470	1.6
96.96000	0.4
97.06596	1.2
106.04283	0.4
107.05026	16.5
108.02169	1.9
108.05396	0.5
109.02973	0.3
110.73888	0.2
111.00891	1.1
121.02964	3.7
122.03733	1.3
123.00904	0.3
123.04517	0.3
124.01669	4.5
125.02446	1.4
133.02969	0.3
134.03760	1.7
135.04529	100.0
136.04787	2.2
137.02431	0.5
150.03221	2.8
151.04012	7.2
161.02457	0.3
161.06087	0.2
162.03275	1.2
176.04768	0.5
177.09253	0.9
179.03474	0.6
185.06165	0.3
187.11237	0.3
189.09259	0.8
199.07614	0.3
205.08736	0.6
205.12280	1.0
215.10756	0.9
233.11803	0.8
249.11325	1.0
277.10904	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.8
69.56181	1.4
79.05571	0.2
91.05537	5.1
93.03460	1.6
97.06588	1.3
98.19950	0.4
106.04255	0.4
107.05033	17.1
108.02177	0.9
108.05377	0.4
109.02943	0.3
111.00886	0.6
121.02961	3.6
122.03742	0.6
123.00848	0.5
124.01660	4.3
125.02476	1.4
134.03749	1.9
135.04527	100.0
136.04799	3.1
137.02441	0.4
137.06096	0.9
149.02415	0.3
150.03226	2.0
151.03999	6.8
154.02777	0.2
159.04521	0.4
161.02429	0.4
161.06039	0.3
162.03264	0.9
166.43739	0.2
176.04761	0.4
177.09222	0.8
181.05074	1.8
187.07631	0.3
187.11305	0.3
189.09259	0.5
199.07652	0.3
205.12329	0.9
215.10704	1.3
233.11919	1.3
245.83107	0.3
249.11317	1.0
258.09161	0.2
277.10818	3.7
278.11203	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.108
Annotation	Radulifolin A
Peak:m/z	Relative Intensity
57.03432	1.4
57.20399	0.9
59.01379	20.7
69.87727	3.9
69.88103	1.6
71.01380	0.9
85.02953	1.8
97.06586	16.3
99.31723	0.9
107.05009	3.7
119.70724	1.0
122.03696	1.6
134.03732	2.1
135.04526	77.6
136.04816	1.9
144.25157	0.8
145.10307	0.9
146.03723	2.7
147.04482	2.7
147.08192	2.4
148.05319	7.9
149.06055	3.7
149.09720	1.4
151.07660	4.3
158.03723	2.4
159.04500	10.8
159.08141	1.1
160.05266	2.3
161.06093	13.0
161.09703	2.4
162.06882	1.2
163.07640	1.6
167.30785	0.8
171.08104	2.5
172.05116	1.2
173.06065	7.7
174.06900	2.0
175.04005	3.7
175.07564	3.7
176.04788	10.5
176.08434	2.3
177.09213	28.4
179.03511	4.2
185.06078	5.3
186.06836	5.6
187.04036	1.5
187.07617	18.0
187.11235	1.4
188.04742	5.1
189.05571	5.1
189.09200	22.8
199.07619	3.6
203.07103	2.9
203.10710	1.1
204.07921	11.8
205.08691	17.4
205.12332	1.6
215.10760	26.8
216.11058	1.7
217.08702	6.6
218.09320	0.9
231.10275	1.4
231.55772	1.1
233.11812	53.6
234.12213	1.9
248.06841	2.0
259.09781	1.8
277.10791	100.0
278.11133	3.9
289.81824	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0329
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.1
59.25560	0.6
70.02976	0.9
71.01385	3.6
73.02946	0.8
74.24287	0.7
78.95904	54.2
85.02937	1.3
96.96961	100.0
101.02380	1.4
112.97727	0.6
113.02429	0.9
115.03989	1.0
115.69470	0.6
119.05085	0.8
121.55888	0.6
129.19035	0.6
146.08232	3.2
161.06100	0.7
202.08786	0.9
215.07100	1.2
216.80565	0.8
217.11986	0.9
226.40028	0.7
233.05063	0.7
246.07599	1.6
276.98792	6.5
277.03564	0.8
277.09286	1.5
277.12195	1.6
277.21646	1.0
278.10312	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	277.1082
Annotation	Radulifolin A
Peak:m/z	Relative Intensity
51.50010	0.9
53.01572	0.8
54.36228	0.7
59.01377	21.4
69.88272	4.2
76.37146	0.9
85.02956	2.4
91.05531	1.8
97.06590	14.6
107.05032	3.5
119.08727	1.1
122.03742	2.1
133.06650	1.0
134.03769	1.5
135.04529	80.8
143.05043	1.2
145.10188	1.0
146.03711	2.9
147.04500	4.0
147.08205	1.5
148.05309	11.6
149.06059	2.9
149.09694	2.9
151.07648	6.0
157.06535	1.1
158.03677	2.9
159.04535	16.7
159.08150	1.6
160.05132	1.6
161.06096	13.4
161.09692	1.7
163.07660	2.1
163.11253	1.7
171.08136	2.1
172.05293	1.7
173.06070	7.9
174.06856	2.3
175.03976	3.5
175.07623	4.7
176.04785	9.3
176.08447	1.6
177.09216	34.0
178.09650	1.1
179.03473	4.8
185.06096	4.0
186.06917	5.6
187.04109	1.2
187.07637	16.9
187.11259	2.2
188.04761	4.0
188.07971	1.0
189.05534	4.0
189.09210	32.7
190.09557	2.0
197.09581	1.3
199.07677	2.3
200.08342	1.7
202.06430	2.0
203.07153	3.0
203.10759	1.4
204.07932	11.0
205.08696	15.8
205.12303	3.2
215.10782	25.3
216.11090	1.5
217.08675	5.9
218.09425	1.3
233.11827	53.8
234.12148	2.3
237.92288	0.9
248.06850	1.8
259.09674	1.9
277.10806	100.0
278.11145	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	275.0926
Annotation	Prelunularic acid
Peak:m/z	Relative Intensity
69.03457	0.6
69.86879	1.9
81.03481	0.4
85.02950	0.5
105.03436	3.1
109.02957	0.8
117.03474	0.4
121.02953	0.9
130.04208	1.0
133.02974	2.7
134.03767	3.7
135.04489	2.3
146.03763	1.2
148.01617	0.7
148.05301	0.5
149.02422	1.5
150.03185	0.8
151.07671	1.0
158.03702	3.0
159.04501	5.1
159.08113	0.7
162.03163	0.5
169.06625	0.4
172.05298	13.1
172.87604	0.4
173.06070	8.7
174.03215	0.4
174.06825	2.0
175.07631	0.8
177.01903	3.2
178.02660	1.6
183.04611	0.4
185.06123	0.4
187.04152	4.6
187.07637	100.0
188.08041	3.3
197.06093	0.6
200.04654	0.6
201.05559	10.6
201.07312	0.7
202.06352	19.1
203.06897	0.8
203.10756	2.1
204.04266	1.6
213.09178	4.6
215.07109	1.4
216.07927	1.4
231.10240	21.9
232.10661	1.1
247.09689	0.7
275.09241	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	275.2015
Annotation	Stearidonic Acid
Peak:m/z	Relative Intensity
50.85274	0.6
52.06349	0.7
59.01383	6.8
63.90285	0.6
71.01391	1.5
83.05031	1.2
97.58595	0.7
100.63568	0.5
147.00848	0.9
177.16432	2.2
202.64496	0.7
231.21100	9.7
257.19031	0.9
275.09192	1.8
275.20142	100.0
276.20471	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	275.2016
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
55.67360	6.2
57.55287	5.8
59.01362	5.6
87.03544	5.9
139.22945	5.2
196.64034	6.3
202.99751	7.9
231.10283	9.5
231.21164	100.0
232.21503	6.3
275.09268	15.9
275.16769	9.7
275.20102	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	276.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93031	0.3
59.01371	0.7
61.95101	0.4
64.77293	0.3
71.01363	0.5
71.51553	0.5
87.39234	0.3
88.82781	0.4
89.98495	0.3
92.05064	100.0
93.05409	2.1
101.07214	2.1
115.08779	0.5
135.04535	1.2
136.04031	1.3
146.70755	0.4
157.13458	11.3
177.10333	6.2
191.05542	0.5
219.10291	0.6
234.59273	0.5
276.09705	0.5
277.14474	1.1
277.18231	0.7
277.21628	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01709	0.4
69.20057	4.1
76.51520	0.5
79.95754	0.4
93.03442	0.7
93.07085	1.1
104.02678	1.1
105.03462	1.3
109.06573	1.8
118.04261	1.6
122.04674	0.5
128.06302	0.8
130.04214	1.6
132.02170	11.3
144.05817	3.1
147.00847	0.7
157.10237	1.2
158.03688	2.3
160.05292	2.5
162.03209	1.7
163.03954	0.8
171.04568	1.2
172.05257	2.8
173.06087	0.5
173.09721	4.2
176.01085	0.6
183.08194	0.7
185.06004	1.6
187.07745	0.7
188.04768	4.5
190.02710	5.8
199.04060	0.7
199.07730	0.6
200.08327	0.6
201.01962	2.8
201.09221	7.0
215.03537	1.0
216.04259	23.3
217.04701	1.3
217.08784	1.3
218.02107	0.8
222.01639	1.2
229.05046	18.6
229.08655	1.1
230.05528	1.5
244.03706	0.8
244.07329	2.1
245.08163	62.7
246.08528	2.9
255.06624	0.8
273.07666	100.0
274.05084	0.7
274.07965	4.9
294.51083	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77311	0.4
57.03425	0.7
58.02952	1.8
58.03212	0.4
59.01351	1.3
66.03458	0.9
71.01361	1.5
71.51311	0.5
80.05055	0.8
96.96047	0.6
98.02477	0.6
114.05610	100.0
115.05951	1.2
126.09239	6.2
134.03754	1.7
135.04535	12.9
137.02457	0.9
154.08742	28.3
155.09050	0.6
155.11972	0.5
162.49583	0.4
163.11263	0.6
165.12772	0.5
172.39758	0.5
225.16103	11.8
226.16522	0.6
269.04755	1.2
269.08597	2.4
269.15140	21.6
269.21329	2.0
269.25021	0.9
270.15497	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2278
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
58.05848	0.1
58.36774	0.1
61.85396	0.1
69.42689	0.1
70.81700	0.1
70.82062	0.4
76.79398	0.1
91.96358	0.1
108.02162	0.2
109.02933	0.3
121.89318	0.1
144.49382	0.1
171.00218	0.1
223.20721	0.3
225.22231	4.6
226.22604	0.1
241.05029	0.1
253.21692	1.4
269.21207	1.1
271.22772	100.0
272.23102	5.9
288.77402	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	271.2279
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
52.55136	0.6
53.96841	0.6
58.70557	0.6
59.01379	100.0
98.11747	0.6
105.27155	0.6
109.02975	0.9
125.02464	0.8
143.88576	0.8
206.39162	0.7
229.12236	0.7
233.06056	0.7
271.22772	60.7
272.23090	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	272.099
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13078	0.4
59.01379	9.9
62.05839	0.4
69.20218	0.5
71.50336	0.6
72.00929	0.5
85.02961	0.4
86.37791	0.4
101.02463	0.7
103.04021	0.9
109.88235	0.5
116.72440	0.5
117.00460	1.3
125.00957	0.6
128.07199	1.4
130.08736	100.0
131.09082	2.1
134.04729	1.6
168.99913	1.3
169.03564	0.5
175.02504	0.6
191.05566	0.9
195.01477	1.3
212.07898	0.6
228.07306	1.7
230.08839	8.0
272.09891	43.9
273.04721	6.0
273.10013	2.8
290.94531	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33260	0.4
57.03428	0.8
58.02961	1.5
58.85402	0.4
59.01366	1.6
59.53897	0.4
66.03484	1.8
71.01375	1.2
71.50991	0.4
71.51411	0.5
73.16893	0.3
82.06625	8.2
86.64063	0.4
94.95875	0.3
97.06578	0.9
114.05605	100.0
115.05929	1.2
126.09243	8.9
134.03745	0.6
135.04512	3.1
137.02373	0.4
137.90393	0.4
145.10201	0.4
154.08733	29.9
155.09056	0.7
164.82561	0.4
166.12318	0.6
184.33995	0.4
225.16077	15.5
226.16397	0.5
227.14122	0.7
269.04538	1.5
269.08429	1.1
269.15085	25.2
269.21216	1.0
269.24600	0.7
270.08594	0.5
270.15359	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1216
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94169	0.4
59.01366	1.2
67.94615	0.4
69.81696	1.6
69.82109	0.7
71.56128	0.4
79.95760	1.2
82.13441	0.4
93.54222	0.4
96.30282	0.4
98.20604	0.5
110.01348	0.4
177.12810	0.4
178.99875	0.5
183.01208	10.1
184.01936	1.9
186.95441	0.4
197.02763	32.4
198.03548	8.4
210.85796	0.5
211.04285	0.5
216.00935	1.3
230.02534	8.3
231.02812	0.5
269.04556	2.4
269.12137	100.0
269.21268	3.5
269.24692	2.7
270.12463	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1296
Annotation	Quinolactacin A
Peak:m/z	Relative Intensity
59.01389	0.7
62.96404	0.5
71.05003	0.6
73.97748	0.6
76.29546	0.5
79.95728	0.7
120.04552	2.1
136.07620	0.6
156.23727	0.5
167.14444	0.8
177.12735	0.6
183.01225	8.8
184.01956	2.5
186.95596	0.7
189.12889	0.6
197.01051	1.1
197.02777	14.7
198.03510	3.0
211.08749	2.7
211.13292	1.0
216.00919	1.2
225.10289	4.3
226.10757	0.7
226.12688	0.7
230.02553	3.2
239.08177	3.1
241.13498	2.4
241.45636	0.6
246.48145	0.5
253.09778	1.7
254.10612	9.9
255.11034	0.8
269.04547	2.3
269.12668	100.0
269.21207	5.0
269.24820	2.5
270.13016	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	269.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	5.5
57.23292	0.6
58.00369	0.5
58.00598	5.7
59.01376	7.5
64.18198	0.6
69.03466	1.0
71.01382	0.9
71.05020	8.3
71.36353	1.1
72.99296	0.7
73.02946	0.8
83.05021	3.1
84.02163	0.7
85.02937	0.9
90.30054	0.6
97.06579	2.5
97.42664	0.6
109.06593	0.7
111.04533	3.1
111.08163	1.0
117.03445	0.7
123.08150	1.7
135.08163	0.9
137.09712	1.3
139.07675	0.9
139.11305	0.9
149.09685	3.1
151.11284	15.7
153.12843	1.7
161.09686	1.4
163.11292	7.5
165.09268	0.7
165.12851	2.3
167.14403	7.1
171.11786	0.8
175.11227	1.5
177.12851	9.6
178.13109	0.5
179.10812	1.4
179.14417	3.2
181.12331	4.4
187.11288	0.9
189.12848	30.9
189.41260	0.7
190.13210	1.5
191.10785	2.5
193.12305	2.0
195.13918	2.3
197.15462	0.9
201.34428	0.7
203.10861	0.8
205.12297	1.9
207.13899	14.5
223.13400	1.2
225.14986	2.1
231.91707	0.6
233.11816	7.2
251.12866	10.0
269.04535	3.2
269.13940	100.0
269.17386	6.7
270.14371	3.6
270.17661	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1215
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.5
62.96412	0.7
71.01385	0.6
71.07581	0.9
79.95767	1.2
83.44424	0.5
112.31317	0.4
163.00334	0.4
183.01186	3.6
184.01968	0.8
186.95587	0.7
197.02766	42.1
198.03526	5.2
211.04344	1.5
211.25255	0.5
212.05093	0.7
216.00879	0.5
230.02509	5.5
234.41269	0.4
239.07179	0.4
244.03995	0.6
269.04446	1.6
269.12137	100.0
269.21243	3.5
269.24847	1.9
270.12466	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	269.0455
Annotation	Pelargonidin
Peak:m/z	Relative Intensity
50.76170	0.1
51.78024	0.1
59.01363	0.4
60.36068	0.1
62.96410	6.5
71.01344	0.1
71.05017	0.1
71.52483	0.1
83.05033	0.1
85.02914	0.2
85.69311	0.1
97.06519	0.1
97.09682	0.1
99.35573	0.1
104.27575	0.1
105.03440	0.2
117.29578	0.1
137.09784	0.2
145.77377	0.1
151.11270	0.3
153.07076	0.4
157.06528	0.2
167.14380	0.1
169.06602	0.3
171.04501	0.3
177.12752	0.2
179.05058	0.2
180.05815	1.1
181.06575	2.3
182.03729	1.3
183.04492	0.1
185.06001	0.6
189.12856	0.3
193.15590	0.1
195.04469	0.3
196.05232	0.5
197.06081	3.3
199.04054	0.2
207.04532	0.3
207.13905	0.6
209.19090	0.6
210.03227	1.7
211.03806	0.2
213.05588	0.9
224.04770	1.3
225.05556	18.9
226.05875	0.9
227.03474	1.2
240.02142	0.1
240.04277	0.7
241.05055	6.7
242.05365	0.3
251.12622	0.1
253.18057	0.4
256.03870	0.1
258.22861	0.1
268.04037	0.2
269.04541	100.0
269.13263	4.3
269.21106	0.8
269.24780	0.6
270.04880	5.4
270.20685	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0455
Annotation	Pelargonidin
Peak:m/z	Relative Intensity
50.34387	0.2
53.60139	0.2
54.29134	0.2
59.01368	0.3
70.42348	0.4
71.01387	0.2
71.05069	0.2
77.08681	0.2
79.77328	0.2
98.20609	0.2
105.01939	0.2
112.49936	0.2
152.06396	0.2
153.07106	0.4
169.06621	0.3
171.04573	0.3
175.68272	0.2
179.05066	0.3
180.05827	0.9
181.06615	2.3
182.03731	1.1
183.98410	0.2
185.06073	0.7
189.12793	0.4
195.04526	0.3
196.05281	0.3
197.06073	3.1
199.04176	0.2
207.04504	0.5
210.03229	1.7
213.05553	0.6
224.04782	1.2
224.22675	0.2
225.05573	19.9
226.05887	0.9
227.03560	1.1
240.04251	0.6
241.05075	6.2
242.05328	0.3
269.04544	100.0
269.21173	0.6
269.24731	0.5
270.04913	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1963
Annotation	15-Methoxyisodauc-3-ene-1beta,5alpha-diol
Peak:m/z	Relative Intensity
52.36652	1.7
57.28564	1.5
59.01383	14.3
71.01383	4.3
92.24968	1.7
93.38936	1.9
109.02953	1.8
121.02956	2.8
123.08103	2.1
135.57594	1.9
145.91689	2.2
149.09680	3.9
161.04399	1.8
163.07410	2.1
167.10773	49.4
205.19617	3.3
249.18564	32.8
250.19038	2.3
254.21951	1.9
267.16159	5.1
267.19644	100.0
268.19980	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	267.2328
Annotation	cis-10-Heptadecenoic acid
Peak:m/z	Relative Intensity
56.04410	0.5
59.01367	0.5
61.98793	0.5
65.00302	0.7
71.01388	0.8
71.51922	0.7
98.95585	2.3
98.96394	0.6
107.01335	0.5
112.49468	0.5
169.59074	0.5
178.99759	0.8
189.48627	0.5
220.97287	0.5
222.98811	0.8
235.78587	0.5
238.98251	0.6
267.23270	100.0
268.23566	5.5
272.27023	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.0683
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97553	11.0
58.99591	2.8
59.01356	1.8
60.97513	1.6
70.00033	6.3
71.01366	3.9
71.05047	1.7
71.60667	1.6
76.97022	3.6
79.95731	96.6
80.96515	22.0
87.02728	1.4
95.95264	1.5
96.95976	2.4
97.78260	1.3
98.20539	2.6
102.98592	14.5
108.96005	8.6
109.02957	1.5
126.12883	7.2
132.04767	1.9
140.93228	39.7
163.94769	1.9
172.13429	12.4
186.09630	3.0
195.98633	1.4
210.99785	3.6
225.01344	5.1
227.12994	1.6
236.09607	100.0
237.09843	1.7
250.05812	3.5
264.91916	1.4
268.06815	91.1
269.07239	4.1
269.13882	4.4
269.17572	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	265.1808
Annotation	Tetranor-12R-HETE
Peak:m/z	Relative Intensity
54.11610	0.4
57.03448	0.6
59.01384	6.4
61.00676	0.6
63.64611	0.5
69.03449	2.0
70.82605	0.9
70.82938	0.8
71.01369	0.6
76.15314	0.6
78.95899	1.1
83.04992	0.7
83.21873	0.5
97.06590	1.3
109.06495	0.5
111.08161	2.3
123.08158	0.7
124.57890	0.5
127.07639	2.1
149.09692	2.3
149.13293	0.8
151.11273	1.8
155.07141	7.8
167.10770	47.5
167.62827	0.5
168.11159	1.3
173.35712	0.5
177.09190	1.4
195.10268	11.4
203.17992	3.8
228.09956	2.0
232.46704	0.5
237.18620	0.6
247.17020	16.6
248.17326	0.8
265.18066	100.0
266.18442	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	266.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93528	4.5
59.01353	4.2
59.77448	3.9
69.38536	7.1
69.38947	23.1
71.01368	5.3
72.00899	15.3
73.02946	4.0
73.51250	4.0
85.02943	5.6
94.88525	3.6
105.01938	8.4
107.05029	4.3
108.04552	3.5
110.02440	4.2
112.00410	8.0
123.04494	6.8
129.03557	4.1
133.02899	5.3
134.04752	6.5
135.04559	8.2
136.04063	5.0
137.00697	4.9
145.02933	12.4
146.03746	13.2
147.03355	7.5
147.04521	63.1
151.03993	11.9
160.04050	100.0
160.05296	5.1
161.02457	25.4
161.04709	15.4
162.01949	15.3
162.03218	13.3
162.05574	5.6
163.03987	7.5
164.07158	13.8
173.02449	17.4
175.02788	7.0
175.06404	42.0
176.03520	8.2
176.07024	4.8
179.10652	4.1
188.03555	35.5
189.04262	15.2
190.02670	8.4
190.05093	32.5
193.05061	16.3
196.09819	32.2
204.06705	13.4
204.10271	49.6
205.05074	41.1
216.03020	70.5
220.06146	13.2
234.04086	45.4
248.05643	95.2
248.12932	33.7
266.06683	63.4
266.10333	47.7
267.06366	8.1
267.08859	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	265.1809
Annotation	OPC-6:0
Peak:m/z	Relative Intensity
53.88910	0.8
54.60519	0.9
57.03452	10.3
59.01378	7.0
65.56802	0.9
71.01371	1.5
71.98345	0.9
73.02955	1.0
85.02945	0.8
85.06564	1.0
86.36723	1.4
95.25587	1.0
96.96011	6.5
97.06602	6.1
101.02464	1.6
108.66458	0.9
109.06526	0.9
111.08213	1.2
113.06145	1.0
113.09727	45.1
121.06567	0.9
121.10213	1.2
122.37501	0.9
123.08185	1.3
127.07674	1.3
139.11298	13.8
143.07127	2.9
149.09686	1.4
163.11266	2.6
165.12746	0.9
167.10768	2.2
172.66228	0.9
180.24596	1.1
198.85005	0.9
205.15967	1.1
221.00920	1.1
221.15424	0.9
221.19064	10.7
229.80557	0.9
247.16936	3.8
265.14825	8.1
265.18063	100.0
266.18375	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	265.1808
Annotation	4-O-Methylzedoarondiol
Peak:m/z	Relative Intensity
59.01365	7.2
71.01379	3.3
71.52436	2.2
78.48326	1.5
79.95728	2.4
85.02936	2.5
96.96011	4.9
97.06601	2.5
101.02462	2.8
109.02964	1.7
137.06291	1.6
151.07677	3.4
152.08409	4.1
177.01952	2.0
195.13843	4.2
203.18010	3.2
209.15382	3.2
235.17062	9.8
247.16985	24.8
248.17352	2.3
264.99417	1.7
265.14661	9.1
265.18063	100.0
266.18420	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	265.1115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48886	0.4
56.98037	1.3
58.99604	100.0
59.01388	0.6
63.96220	2.5
69.86186	1.8
72.99316	5.5
73.12486	0.5
73.98325	1.9
74.99096	36.7
75.61287	0.6
87.00874	6.0
96.96024	3.7
109.02937	0.5
117.97311	2.1
121.02982	1.0
133.02908	0.8
135.98360	5.1
136.99147	23.9
137.06197	0.7
141.07425	1.5
147.01239	1.8
149.02431	1.3
150.03281	1.4
151.03992	1.7
159.08447	0.8
176.49677	0.5
177.09521	10.0
179.44865	0.5
181.05022	0.8
195.71820	0.5
199.77882	0.5
208.99080	3.1
209.50710	0.5
247.05981	0.5
247.10149	4.2
265.07721	1.8
265.11127	36.7
265.14267	1.9
266.11542	1.6
276.74747	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1116
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88065	0.6
54.37360	0.7
57.03472	0.7
59.01382	1.5
69.03458	5.8
69.90775	2.8
71.01394	0.8
79.95757	2.4
87.00890	1.7
96.96030	2.3
97.06598	3.9
107.05038	1.2
118.34106	0.7
123.04547	1.4
129.09206	3.4
135.04536	1.0
135.08221	0.8
136.05299	1.9
137.06009	0.8
147.04373	0.8
149.02426	1.1
151.03983	0.8
161.09724	0.8
177.09535	100.0
178.09843	2.4
183.08171	1.0
185.38171	0.6
201.09216	0.9
203.10783	1.5
208.99142	1.4
209.06277	0.7
221.08139	1.2
221.11879	3.8
222.05505	0.6
247.09988	1.3
265.05289	12.3
265.11121	59.0
266.05518	0.7
266.11307	1.5
277.16504	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	4.2
59.01378	8.3
61.88503	0.6
61.98797	0.6
67.01879	2.0
69.03439	1.3
69.39116	1.5
69.39523	3.7
71.01371	1.8
81.03451	0.9
83.05020	4.0
93.03433	1.9
95.05032	4.3
96.96021	0.7
97.06564	1.3
101.02451	0.6
101.55321	0.6
107.05096	0.7
107.08649	0.8
109.06611	1.0
111.08157	40.8
121.06609	0.9
123.08165	1.9
125.09755	0.9
135.08195	0.8
137.09723	9.4
141.41394	0.6
149.09715	12.0
151.07669	0.9
151.11317	1.2
154.79750	0.6
161.09645	1.4
165.12805	1.8
167.10791	6.0
219.17529	24.4
245.15402	3.0
263.16498	100.0
264.16785	5.0
284.00015	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1651
Annotation	Clitocybulol B
Peak:m/z	Relative Intensity
52.98014	0.7
56.36040	0.7
56.41176	0.7
57.03444	2.4
57.05801	0.7
59.01381	6.4
66.75608	0.7
69.03465	1.7
69.31104	0.6
70.89293	2.2
71.01364	1.0
73.52142	0.6
75.03165	0.6
83.05012	2.6
85.02956	0.8
93.03466	1.0
93.07088	1.7
95.05032	8.4
96.96024	0.9
97.06588	27.6
98.06938	0.7
109.06554	0.8
111.08163	0.9
113.09720	4.1
119.08686	0.9
121.10232	20.5
139.07637	2.5
141.05560	1.4
145.10165	0.8
147.08186	6.3
157.08670	11.2
165.12814	4.6
169.08656	3.1
181.08719	1.8
183.10228	1.6
185.11797	0.9
191.14508	1.1
195.10216	1.0
201.16483	2.3
203.53676	0.8
219.17523	5.4
245.15427	3.0
248.56085	0.7
263.13324	3.2
263.16504	100.0
264.16821	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	263.2015
Annotation	KDC 165
Peak:m/z	Relative Intensity
58.45410	0.7
58.47866	0.7
59.01378	3.5
71.01387	1.7
71.52161	1.3
109.02959	0.7
110.85404	0.7
113.02475	0.8
219.13768	0.7
232.16815	0.8
245.19135	0.9
250.01210	0.8
263.12823	2.5
263.20139	100.0
264.20490	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	263.1652
Annotation	12-Oxo-2,3-dinor-10,15-phytodienoic acid
Peak:m/z	Relative Intensity
55.97193	0.5
59.01380	22.9
66.03946	0.5
73.09950	0.5
79.95750	0.5
95.04999	1.2
97.06586	1.2
101.02428	1.0
107.05033	0.6
120.05790	0.8
123.48132	0.5
133.06514	0.6
135.08153	0.8
147.08141	0.6
148.08939	3.8
149.09685	1.9
151.11292	1.9
163.11270	7.6
165.12845	37.5
166.13181	1.3
177.12750	0.6
189.12820	3.4
191.14415	12.0
201.16505	0.6
217.15997	0.6
219.17529	13.6
245.15477	5.9
262.98239	0.6
263.16501	100.0
264.16843	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	263.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03493	1.8
59.01376	11.0
59.29306	1.9
62.78815	1.6
69.03458	1.9
71.05020	69.1
71.51575	2.1
83.05034	2.2
95.05080	2.1
96.95984	1.7
97.06593	24.2
101.02439	2.1
103.42836	1.8
103.55237	1.9
109.06571	3.1
113.02454	2.1
123.08188	3.3
135.04497	1.7
135.11786	5.8
137.09679	1.9
147.00926	2.1
149.02435	1.8
165.12819	3.2
191.10783	7.7
207.13789	2.9
219.13914	2.3
219.17500	15.8
237.17458	2.7
245.15492	3.6
263.09006	2.5
263.13339	4.3
263.16498	100.0
264.16843	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	263.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28230	0.7
55.01879	8.4
55.98851	0.6
57.03440	6.6
58.00591	2.8
59.01378	54.1
59.94654	0.7
64.09464	0.6
69.03457	0.7
69.78722	1.5
69.79137	2.6
71.01379	100.0
72.01732	0.9
72.99303	2.8
73.02944	31.8
75.00873	2.0
81.03429	0.7
83.01383	12.6
85.02949	47.5
86.00089	7.6
87.00875	18.7
87.04504	2.8
89.02440	17.5
95.01382	8.1
96.96005	0.8
97.02946	2.4
98.20644	0.9
99.00877	13.4
101.02438	60.2
101.06095	2.2
111.00854	1.2
113.02448	41.8
119.03512	6.3
119.76994	0.7
121.63026	0.7
125.02443	1.7
129.01936	1.8
143.03493	2.5
159.02977	8.5
161.04550	26.5
173.08186	11.0
175.07825	0.7
187.07614	0.7
191.03484	0.7
201.09206	0.7
219.06604	1.2
219.10373	0.7
263.05914	1.1
263.11386	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	263.1651
Annotation	Dehydrojuvabione
Peak:m/z	Relative Intensity
59.01376	5.7
66.03146	0.6
69.03436	0.6
69.37180	1.1
69.37580	4.3
75.43095	0.6
83.05084	0.6
95.05031	1.2
97.06589	100.0
98.06910	1.7
109.06641	0.6
119.08670	1.0
121.10234	6.8
137.09729	0.7
139.00024	0.7
139.11342	0.9
155.10794	1.1
162.54312	0.6
163.00333	0.6
165.09215	16.6
183.10254	16.4
183.48734	0.6
184.10493	0.6
201.16466	0.8
232.52170	0.6
259.63168	0.6
263.16507	21.1
264.16754	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80019	1.5
59.01379	100.0
61.64143	1.5
61.77670	1.4
63.59507	1.4
69.45341	10.2
71.01381	7.9
73.02954	1.8
79.95740	2.2
83.01388	1.8
85.02969	2.8
91.05582	1.8
93.03445	1.6
96.96005	16.9
97.06583	5.7
101.02452	2.2
107.05007	3.7
113.02514	1.9
121.02975	3.4
135.04517	18.3
137.06102	2.6
141.05579	2.4
147.04555	2.1
158.03726	1.7
159.04507	7.3
161.02368	3.2
161.06027	1.8
163.03973	3.3
163.07640	4.3
172.05280	6.4
173.06053	6.4
175.04056	1.6
175.07576	2.7
177.09213	5.5
181.05055	6.4
186.06830	2.3
187.03992	6.4
187.07634	35.1
188.07855	1.9
189.01906	1.8
191.03465	2.3
199.13272	1.6
200.04921	1.7
201.05588	11.7
201.09235	9.4
202.06322	22.9
202.57739	1.5
203.06940	1.8
213.09254	4.0
216.07896	1.6
219.10284	9.0
230.09468	1.7
231.03026	1.8
231.10248	14.5
245.00815	4.2
245.11877	4.4
248.10565	4.4
263.01852	2.6
263.05499	2.3
263.09393	21.6
263.12851	29.1
264.13339	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29503	0.5
58.59919	0.5
59.01381	7.4
66.36285	0.5
71.52012	0.7
71.52423	0.8
117.03419	0.9
133.02948	2.0
137.09682	3.4
143.05002	0.9
147.04680	0.5
148.04051	0.8
155.10780	36.6
156.11060	1.1
161.02458	4.8
162.03236	1.5
162.06879	0.6
171.04465	1.0
171.10255	9.1
172.05298	37.2
173.05785	2.0
174.03203	0.7
185.05899	0.9
187.03928	2.8
191.10736	1.8
197.11771	1.3
199.09741	13.4
201.01851	0.7
202.02682	2.3
204.04286	6.4
213.09248	0.9
215.07303	1.6
215.10765	58.8
215.12764	3.4
216.04227	1.8
216.11115	3.6
217.10796	34.9
218.11082	1.0
229.05014	1.8
231.10167	0.6
259.09708	100.0
259.11823	4.8
260.07458	0.8
260.10040	5.2
260.12622	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1131
Annotation	Lagopodin B
Peak:m/z	Relative Intensity
55.91479	0.7
59.01382	2.0
66.57770	0.6
70.37189	1.4
70.37521	1.1
71.01385	0.7
77.35100	0.6
79.23564	0.7
93.03448	1.0
107.05054	0.9
109.06604	0.9
117.03461	0.7
121.03057	0.8
125.09730	1.1
133.02959	15.5
133.03917	1.4
134.03763	7.7
135.04529	94.0
136.04871	2.0
137.02443	5.5
139.04021	1.6
148.05338	1.5
161.02438	25.9
162.02829	0.9
169.49265	0.7
178.02658	1.0
179.03496	46.6
180.03951	1.2
187.09697	1.0
189.01947	1.1
217.12166	0.7
261.00452	1.5
261.11298	100.0
261.22220	2.9
262.11581	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	263.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72029	1.5
59.01382	100.0
60.01706	2.0
71.01378	4.3
71.51672	3.5
73.02968	1.5
85.02929	2.1
91.05509	2.0
96.96008	10.5
97.06570	9.5
101.02436	3.3
107.05030	5.0
115.02943	1.7
119.04998	2.1
121.02972	3.8
132.44778	1.7
133.02927	1.5
135.04524	18.8
137.06111	4.5
141.05602	7.4
146.03790	2.1
147.04536	2.3
149.09721	1.8
151.07639	1.6
159.04495	6.1
161.02399	2.1
163.03998	5.1
163.07693	3.4
172.05328	7.0
173.06055	6.1
175.18344	1.6
177.09178	6.1
181.05090	8.7
185.06003	2.2
187.04019	4.7
187.07629	32.0
189.05646	1.8
191.07208	1.9
201.05638	11.5
201.07211	1.8
201.07518	1.9
201.09177	13.4
202.06358	22.7
213.09221	3.3
219.02960	1.7
219.10297	10.7
231.10158	13.0
245.00856	4.1
245.11807	3.9
248.10620	2.8
263.01785	2.6
263.06955	2.6
263.09351	26.8
263.12875	32.4
264.13101	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	259.0973
Annotation	Echinolactone B
Peak:m/z	Relative Intensity
59.01376	2.5
70.84805	0.4
70.85169	1.1
78.71030	0.4
92.16245	0.4
93.03445	0.4
101.21764	0.4
104.71042	0.4
117.03455	0.7
127.11268	0.4
129.23433	0.4
130.04291	0.5
133.02957	1.0
143.05048	0.4
144.05827	0.6
145.02953	0.9
147.04494	0.6
148.04019	1.1
148.05128	0.4
153.12848	0.4
155.09570	0.7
155.10779	9.2
158.03716	0.7
159.04538	0.6
161.02457	4.6
162.03194	1.0
162.06810	0.7
163.03947	0.6
166.63309	0.4
171.04562	0.9
171.10237	3.1
172.05293	36.5
173.05696	1.9
174.03189	1.3
177.09245	0.7
185.06120	1.0
187.04025	3.0
187.07646	0.5
188.04703	0.6
191.10770	1.9
197.11797	2.1
199.07846	0.7
199.09729	2.9
202.02696	2.1
204.04248	6.3
210.91162	0.4
213.09279	1.9
215.10750	62.6
216.04192	1.9
216.11099	3.0
217.10779	9.1
228.10275	0.4
229.05002	1.6
231.10277	1.0
248.03244	0.7
259.09720	100.0
260.10098	5.6
260.12708	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0223
Annotation	D-Glucose-6-phosphate
Peak:m/z	Relative Intensity
59.01373	2.4
64.30631	1.4
69.35034	1.3
71.01360	3.8
71.37757	1.6
74.02451	1.6
78.95904	90.5
90.81134	1.7
93.03445	2.1
96.95990	2.6
96.96960	100.0
99.00868	2.1
111.00870	2.3
111.04536	1.8
112.98782	4.6
129.01901	1.3
130.03819	1.5
135.04515	3.8
138.98009	8.3
142.82471	1.4
149.96733	1.4
156.49893	1.4
199.00117	1.9
209.81740	1.5
241.01067	3.4
258.99173	2.6
259.02161	15.9
273.67828	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0973
Annotation	Pseudoneolinderane
Peak:m/z	Relative Intensity
53.60339	0.6
54.23746	0.6
59.01361	0.7
69.39460	5.3
71.04995	0.8
72.94141	0.6
74.02448	0.9
78.95901	1.0
82.55344	0.6
83.03201	0.6
84.72775	0.6
85.91022	0.7
96.96973	0.8
98.19901	1.3
118.74100	0.7
128.59451	0.6
130.08742	2.0
130.26503	0.7
131.09058	2.1
143.12000	0.7
144.05786	3.9
153.11095	0.6
159.04497	1.8
172.05299	70.2
173.05745	2.7
174.03273	1.4
184.05304	0.7
185.06062	21.5
186.03180	1.8
186.06593	2.0
187.04012	10.8
187.07732	1.0
187.11256	1.8
188.04341	0.8
197.10025	1.0
199.07608	1.0
199.09657	1.1
204.04276	24.0
205.04625	1.0
213.09224	17.5
214.09657	1.2
215.10764	58.3
216.11072	2.9
229.05049	34.9
229.08710	1.9
230.05725	5.4
241.09084	1.3
250.52248	0.7
257.08188	6.3
258.08588	1.2
259.09741	100.0
260.10059	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	259.0975
Annotation	Pleurotellic acid
Peak:m/z	Relative Intensity
56.58171	0.6
58.22041	0.6
59.01381	14.6
71.52389	0.9
72.00928	0.9
75.50349	0.5
77.98449	0.5
78.95943	1.0
79.95730	0.8
96.38224	0.7
96.76453	0.5
96.96955	0.7
109.02951	0.9
121.48048	0.6
143.77440	0.7
146.03792	0.8
159.04552	4.4
161.02455	0.6
171.08170	3.7
172.05286	4.6
173.06053	1.0
174.03180	3.1
175.04042	0.9
175.07526	0.6
181.06674	0.7
181.08717	0.7
184.05377	0.9
185.06071	36.5
186.06828	9.3
187.04028	2.0
187.07635	15.3
187.11365	0.9
188.07912	1.0
189.05556	1.2
189.30083	0.7
197.02522	1.2
197.06078	1.4
197.09731	4.0
198.06831	0.7
199.07639	47.0
200.08394	12.6
201.05545	2.1
202.06343	1.5
203.03557	1.1
203.07162	0.9
210.11009	0.8
213.09180	8.9
214.02750	1.9
215.03516	13.4
215.10750	100.0
216.11096	4.6
217.05116	1.6
218.05833	2.5
225.05632	0.7
226.06268	2.2
229.08765	1.0
230.05832	18.6
231.06458	1.7
232.07391	0.7
240.07889	1.4
241.08701	21.6
242.08932	1.0
246.08913	0.7
259.02399	2.6
259.06516	1.7
259.09711	42.8
260.03296	5.6
260.10056	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1031
Annotation	Tensyuic acid B
Peak:m/z	Relative Intensity
57.03448	2.3
59.01381	54.1
60.99318	1.7
61.12930	1.0
67.05526	1.0
69.03456	6.6
71.01396	6.9
71.05021	7.1
71.51083	1.5
73.02939	2.0
81.03465	3.1
83.01389	1.5
83.05028	3.0
85.02953	2.4
87.00879	1.2
87.04550	1.5
87.29430	1.3
95.05032	3.7
97.02964	4.2
97.06591	16.0
99.04529	3.0
101.02441	22.9
109.06593	1.9
110.44242	1.0
111.04513	1.4
111.08134	3.3
113.02422	2.4
113.06085	8.4
115.04020	37.7
119.05042	1.3
121.06611	1.4
123.08155	3.9
125.06031	1.8
131.03526	1.1
133.10242	30.8
135.08147	2.3
138.51323	1.2
139.07671	1.8
141.05568	2.9
143.07112	1.6
144.05815	3.1
149.09720	2.0
151.11284	22.3
152.11661	1.2
155.07140	11.5
156.05864	1.4
159.90712	1.2
177.09247	4.5
184.05284	1.2
185.06149	1.7
185.09708	11.9
195.08453	1.7
195.10263	32.9
196.10709	1.9
213.05702	3.0
213.09241	12.7
213.11377	6.7
220.82610	1.1
227.03384	1.8
239.09285	3.2
257.04642	3.5
257.08105	16.3
257.10385	100.0
258.08264	2.0
258.10684	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	257.1758
Annotation	TETRADECANEDIOIC ACID
Peak:m/z	Relative Intensity
54.51455	0.4
57.03427	0.7
57.54337	0.3
69.37100	1.5
69.37537	1.7
71.01377	0.7
72.22323	0.4
88.92830	0.3
92.64951	0.4
166.60631	0.4
193.15962	0.8
195.17528	51.6
196.17847	2.7
213.18564	1.3
239.16508	53.9
240.16841	3.3
257.17569	100.0
257.94003	0.5
258.17923	5.3
279.50455	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16367	1.0
55.79607	0.9
57.03437	4.2
65.00320	5.2
65.03963	3.1
65.27011	1.0
66.03491	1.2
67.01897	2.9
68.99816	9.2
69.73363	3.9
69.73776	1.7
70.02956	1.4
78.11647	1.1
80.05038	1.8
81.03462	9.9
82.03001	7.2
82.06631	1.5
83.01386	8.1
83.05042	2.0
91.01880	8.5
91.02242	0.8
94.09236	1.0
95.01411	1.3
98.02477	5.9
98.06129	1.2
100.00407	2.9
104.05065	1.2
106.02973	3.0
106.06621	4.4
107.01371	3.8
107.05013	4.9
108.04561	17.7
109.02953	7.9
110.02478	2.1
112.00431	1.4
123.04522	3.2
124.04041	12.5
125.02462	8.7
126.01910	1.1
126.05617	14.8
128.07207	1.2
132.04526	4.8
133.02960	6.1
134.02480	1.8
137.02483	5.8
138.03236	1.4
148.04086	6.8
149.02457	1.1
150.05611	42.7
150.06825	2.1
150.09225	1.2
151.00385	12.0
151.03996	10.3
152.03532	39.4
152.04726	2.5
163.00371	4.6
166.05070	4.5
169.01395	4.7
170.04597	2.0
176.03526	17.3
177.01923	25.0
177.03162	0.7
182.02151	1.6
182.97031	1.3
192.03003	2.6
194.04582	100.0
195.03030	1.9
195.04884	3.4
212.05687	5.8
212.09171	1.5
220.02501	7.8
221.00952	6.2
224.58084	1.2
238.03566	97.5
239.01860	2.6
239.03964	3.1
256.04611	79.6
257.04944	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	256.0462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35220	1.2
52.00366	1.1
57.03433	3.4
61.87840	1.4
65.00304	4.7
65.03957	3.3
66.03498	1.6
67.01881	2.5
68.99828	8.5
71.19926	2.2
81.03452	8.4
82.02992	3.6
82.06625	1.3
83.01389	9.2
83.05002	1.5
84.38507	1.1
91.01868	7.4
98.02457	4.2
98.06127	2.5
106.02975	3.3
106.06606	5.1
107.01377	1.9
107.05023	5.0
108.04552	15.2
109.02953	9.7
110.02494	4.3
112.00436	2.6
122.06172	1.5
123.04530	2.5
124.04030	10.0
124.07741	1.6
125.02475	7.7
126.05615	13.1
132.04541	6.9
133.02934	4.6
134.02464	1.5
137.02441	6.4
139.26073	1.2
148.04056	5.8
150.05598	48.4
151.00372	12.9
151.04010	11.3
151.05949	2.6
152.03526	41.1
163.00369	4.3
163.05893	1.1
166.05074	2.2
169.01404	4.6
170.04572	1.7
176.03526	16.8
177.01935	25.4
181.01422	1.6
192.02922	2.0
194.04573	100.0
195.03078	2.1
195.04890	3.4
198.07892	1.3
212.05595	6.5
220.02515	11.9
221.00919	5.6
238.03560	87.8
239.01851	1.8
239.03949	3.8
256.04608	76.1
257.05075	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	253.2173
Annotation	Sapienic acid
Peak:m/z	Relative Intensity
59.01379	29.4
69.82197	52.5
74.66070	15.8
81.86147	13.4
103.18241	15.2
128.54132	14.6
191.84125	14.0
227.52203	14.5
253.21664	100.0
274.92151	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	255.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39007	0.7
55.18602	0.6
57.03431	2.4
59.01105	0.9
59.01378	12.0
59.58780	0.6
59.82530	0.6
60.18045	0.6
69.03447	1.1
69.10817	0.7
69.46340	3.8
71.05017	2.4
74.53954	0.7
83.05019	1.6
91.36888	0.6
109.06634	0.9
111.04510	3.5
120.90416	0.6
123.08150	5.5
136.88229	0.7
149.09744	7.8
151.11287	41.9
152.11638	1.8
165.09171	1.0
167.14424	3.4
175.11269	2.0
193.12328	18.6
195.10268	15.0
203.27325	0.6
211.13396	46.2
212.13754	1.5
219.10294	0.8
237.11299	11.4
237.13449	1.2
238.48750	0.6
255.06664	2.2
255.12372	100.0
255.23279	47.1
256.12747	4.7
256.23746	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0928
Annotation	3-beta-D-Galactosyl-sn-glycerol
Peak:m/z	Relative Intensity
54.49071	2.3
59.01380	100.0
65.97481	2.3
71.01352	4.8
71.07237	6.2
71.91501	2.5
89.02435	4.2
101.02425	4.4
102.81108	2.3
161.04578	12.8
192.02942	3.8
193.07173	14.0
213.52852	2.2
233.37520	2.9
236.01978	6.4
253.09210	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	253.1444
Annotation	Aspergillide B
Peak:m/z	Relative Intensity
55.62372	0.5
57.03447	41.8
59.01383	3.6
60.67092	0.5
69.03459	1.1
69.34698	1.1
69.35107	3.0
71.05019	19.3
74.43698	0.5
83.05018	4.4
83.90198	0.5
85.06590	1.5
86.79097	0.5
102.98705	0.5
111.04485	0.8
123.07359	0.9
123.08166	10.1
125.09731	2.2
137.09726	3.0
139.11258	1.5
149.09724	1.6
151.11324	2.7
165.12845	13.2
175.11237	2.1
178.59920	0.5
191.14412	7.5
193.12331	5.8
196.68089	0.6
209.15456	24.9
210.15723	1.0
222.32274	0.6
235.13414	3.1
253.14436	100.0
254.14728	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1809
Annotation	7,15-epoxycaryophyllane-3,5beta-diol
Peak:m/z	Relative Intensity
57.03448	7.6
58.72490	1.7
59.01380	47.8
61.98832	1.7
62.00006	1.6
67.08224	1.5
68.64230	1.5
69.37125	4.0
69.37534	8.8
71.01387	4.2
71.05009	4.0
75.51850	1.4
84.93885	1.5
85.02957	2.5
89.02455	3.8
93.03379	1.9
96.96026	1.6
98.19931	3.5
98.74165	1.6
101.02443	4.7
113.02425	1.8
119.57626	1.4
123.08159	2.1
161.04561	4.7
163.00342	4.3
165.12880	2.7
190.99838	5.5
191.14340	3.0
193.07175	5.9
209.15408	6.7
234.98796	7.2
235.13371	2.0
253.09155	17.1
253.11867	2.8
253.14470	19.8
253.18062	100.0
254.18372	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	249.1858
Annotation	roughanic acid
Peak:m/z	Relative Intensity
59.01380	3.9
61.13558	0.5
67.52357	0.5
69.92570	2.4
77.71938	0.6
80.63356	0.5
83.05018	0.7
86.75668	0.5
90.44647	0.6
123.85188	0.6
145.88174	0.7
146.74951	0.6
148.62709	0.6
205.19612	1.9
221.39746	0.5
231.17485	1.2
249.18584	100.0
250.18933	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	250.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.9
69.20609	5.1
70.53741	0.5
71.01381	6.8
76.98643	0.5
88.04038	86.5
89.03805	0.6
89.04373	1.1
91.05527	2.6
98.20673	1.2
98.99978	0.5
102.40490	0.5
105.01929	1.5
114.01949	5.4
115.00375	16.7
116.42336	0.6
132.03024	100.0
133.03383	1.0
134.06161	0.9
135.04532	5.3
163.03964	0.8
188.08000	1.8
206.08313	2.2
220.52193	0.6
232.05934	0.7
232.10593	0.9
250.07199	16.6
250.11685	1.2
250.14490	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	251.2016
Annotation	Hugonianene B
Peak:m/z	Relative Intensity
59.01379	2.5
65.41951	0.3
69.52850	2.2
71.01385	0.8
71.41505	0.3
101.02441	1.0
134.50011	0.3
135.00946	0.3
157.42502	0.3
163.00401	0.4
205.53186	0.3
233.19067	1.1
251.20145	100.0
252.20488	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	252.0733
Annotation	Neopterin
Peak:m/z	Relative Intensity
53.57657	0.2
57.03439	0.6
59.01382	2.4
72.93562	0.2
74.94957	0.2
79.95736	100.0
80.96512	0.9
83.05051	0.2
85.02956	0.2
97.06608	0.2
102.14167	0.2
111.08164	1.0
126.12850	1.0
141.05519	1.1
143.07104	0.2
160.11635	0.3
163.00337	0.3
173.37447	0.2
174.99001	0.2
188.11148	8.8
209.15425	0.5
234.11392	0.3
234.98866	0.2
235.13461	0.3
252.07324	42.9
253.07503	0.9
253.09512	0.4
253.14380	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	249.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57805	0.4
59.01376	4.8
61.98836	1.2
62.21159	0.4
69.03437	0.5
70.82924	0.4
70.83263	0.9
71.01382	0.7
79.95728	1.1
83.05040	0.6
102.86562	0.4
158.25400	0.4
161.02435	0.8
168.86031	0.4
172.43683	0.4
177.01930	0.9
184.33810	0.4
184.50299	1.9
185.00160	0.6
205.01462	0.8
205.15923	1.3
205.19595	2.0
213.86665	0.4
231.17519	1.6
247.17107	0.5
248.58109	1.1
248.97058	0.6
249.00291	0.5
249.07930	1.6
249.15027	4.3
249.18588	100.0
250.14528	5.5
250.18871	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	249.1495
Annotation	Sch 601254
Peak:m/z	Relative Intensity
54.31982	3.1
54.72904	2.6
56.79343	2.8
59.01361	11.7
61.98818	3.5
64.00904	2.5
69.03454	34.5
69.78326	14.4
71.01362	4.4
79.95718	4.4
95.04996	5.5
98.20625	5.2
100.38300	3.0
105.36141	3.0
112.98561	11.4
121.02938	3.4
149.13301	4.8
154.97423	5.9
162.94452	2.8
167.10777	4.5
177.01933	6.5
187.14896	6.9
193.12289	10.3
205.12335	10.0
205.15971	13.5
221.15405	15.7
231.13885	31.1
248.97400	13.9
249.07588	4.8
249.11263	6.6
249.14954	100.0
249.18713	6.0
250.14406	36.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1859
Annotation	roughanic acid
Peak:m/z	Relative Intensity
56.96945	0.3
59.01380	4.3
61.98835	0.3
69.20628	2.9
71.01379	0.5
71.47344	0.3
83.05025	0.7
84.33553	0.3
97.06577	0.3
142.54807	0.3
171.29350	0.2
177.16380	0.4
192.11482	0.4
205.19667	1.7
231.17502	1.3
248.58344	0.3
249.18582	100.0
250.14682	1.6
250.18922	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	249.0804
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	5.0
70.51106	0.6
71.21565	0.9
72.34595	0.6
79.95736	13.2
95.95256	1.2
96.96011	100.0
100.58670	0.5
101.02463	0.6
109.96805	0.7
123.04476	0.6
133.02983	0.7
134.03761	2.9
135.04553	1.2
141.95741	1.3
145.06555	0.7
147.08163	1.3
149.06081	0.6
151.00697	1.0
151.04028	1.6
159.04518	3.9
159.08221	1.1
159.11787	2.4
161.02451	0.9
161.06084	2.6
161.09717	1.8
162.06886	1.9
171.07941	0.6
172.05251	1.2
173.06067	8.9
174.06847	6.1
175.07651	1.2
175.11284	4.3
176.03470	1.4
176.04828	2.2
177.01915	2.2
177.05571	1.0
177.09201	5.1
177.12866	0.7
179.03836	8.7
185.05975	0.8
185.09755	0.6
187.04065	4.1
187.07634	7.2
187.11281	1.6
188.08305	1.1
189.05597	3.3
189.09174	1.3
190.06345	2.1
196.44060	0.6
201.05556	3.6
202.06343	13.0
203.05701	1.3
203.10767	18.1
204.06676	2.0
205.07324	23.2
205.12256	3.4
206.07831	0.8
213.09177	1.6
216.07945	1.9
231.10240	13.9
249.08002	90.7
249.11244	10.4
250.08296	3.4
250.14471	2.1
250.70280	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1703
Annotation	4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Peak:m/z	Relative Intensity
59.01372	0.2
71.09882	0.4
80.74184	0.1
85.99479	0.1
155.59497	0.1
179.07150	0.2
184.00281	0.4
185.56361	0.2
205.15903	0.3
220.17030	0.3
231.13835	0.7
247.17024	100.0
248.08070	0.2
248.17355	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	245.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31394	0.5
57.03426	0.7
57.34672	0.6
59.01381	40.5
62.96115	0.4
71.05022	0.7
71.51487	0.4
71.51900	0.6
117.03470	1.5
127.11285	4.8
139.11288	1.8
142.06668	0.8
143.05067	0.7
145.02957	2.6
151.90114	0.5
155.10756	3.1
157.12340	19.1
159.04514	4.8
159.08080	0.5
163.04012	1.1
165.12852	0.5
172.05342	0.7
173.02463	3.6
173.05974	0.6
174.03151	0.5
185.06091	0.6
185.11829	16.9
186.12177	0.6
187.03915	2.7
201.01923	18.0
201.05533	2.3
201.09181	2.2
201.11127	0.6
201.86588	0.5
202.02289	0.5
203.12872	100.0
204.13216	2.9
204.46613	0.6
209.11766	1.1
215.03484	1.6
216.04233	0.6
227.12921	0.9
230.05820	1.6
245.00916	11.9
245.04558	1.9
245.08131	3.8
245.11615	0.8
245.13904	8.4
245.17694	0.5
246.01286	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.1136
Annotation	Securitinine
Peak:m/z	Relative Intensity
52.55911	0.9
58.17605	1.0
59.01365	1.2
67.85041	0.9
68.01376	1.1
68.63585	1.0
69.63062	4.7
70.02962	1.4
71.01379	2.2
85.02955	3.6
92.05060	2.6
97.06596	22.1
98.20571	1.4
106.02984	1.7
109.01650	1.4
113.02454	1.1
119.03756	17.6
120.04572	5.3
121.05310	0.9
130.08754	4.1
132.08206	3.4
134.09770	1.2
136.04068	1.6
138.81754	1.0
146.09758	1.8
147.03270	100.0
148.04054	89.2
148.11322	2.7
149.04379	3.0
153.04378	1.5
158.09813	1.1
160.04085	1.2
160.07693	1.4
162.09276	3.2
163.07637	1.2
172.07648	1.4
174.05528	1.7
174.06941	1.1
174.09262	6.2
174.12866	3.2
176.10774	5.9
184.07764	1.5
188.07150	1.3
190.08698	8.4
190.12399	2.4
191.10738	1.9
200.10831	1.1
201.09177	1.5
202.08629	10.5
202.12775	1.2
204.10249	1.3
210.07698	2.0
218.11838	13.7
228.10304	3.9
231.09027	1.5
246.11334	59.8
247.09509	2.0
247.11679	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	245.0929
Annotation	N-Acetyl-DL-tryptophan
Peak:m/z	Relative Intensity
58.02974	27.4
69.94173	3.9
69.94535	1.8
70.02976	16.4
70.51562	1.0
72.00908	5.3
72.04552	4.7
74.02472	100.0
78.41176	1.0
98.02470	24.8
106.50943	0.9
116.03539	29.6
116.05056	36.4
124.64591	0.9
130.06657	5.6
135.04523	1.4
142.06619	8.6
159.09285	7.2
169.23726	0.9
183.09312	2.0
186.05553	2.4
201.10365	8.3
203.08250	86.3
204.08556	3.3
227.07144	1.0
245.09312	78.0
246.09605	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	245.1142
Annotation	H-GLU-VAL-OH
Peak:m/z	Relative Intensity
59.01376	4.3
61.61721	0.6
61.98817	1.3
69.43648	0.6
69.97022	2.8
71.01382	1.7
72.99295	0.8
74.02486	2.3
78.95906	4.4
82.02975	3.2
84.04556	1.7
86.33694	0.7
87.00878	1.6
91.55273	0.7
100.31741	0.7
107.22014	0.7
108.71953	0.6
111.14895	0.6
114.09245	0.7
116.07181	90.5
117.07531	1.1
127.08762	1.2
128.03543	100.0
129.03911	1.5
137.07178	1.2
139.08772	1.2
147.04518	0.7
152.99533	1.1
155.11902	0.8
163.07675	1.1
165.10335	2.6
172.05263	1.6
173.06146	0.7
174.99268	1.9
183.11378	8.5
185.40831	0.8
191.00212	1.1
201.09224	2.3
201.12308	0.8
202.08716	1.6
209.09332	10.1
227.10349	9.6
245.00996	1.1
245.04411	1.8
245.08548	1.5
245.11444	11.8
246.11391	2.7
255.57016	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1392
Annotation	CHEBI:78812
Peak:m/z	Relative Intensity
57.03442	2.4
68.28892	0.6
69.25450	5.8
71.05009	1.0
73.02939	1.0
75.00890	0.7
78.52916	0.6
81.09621	0.5
83.05033	0.8
85.54728	0.5
97.06610	1.2
99.00884	0.9
111.08158	3.5
125.09730	1.1
135.04520	0.6
155.14395	1.8
159.04494	3.0
163.07439	0.6
163.11278	1.2
163.88757	0.5
164.56197	0.5
165.12837	20.1
166.13184	0.7
173.06169	0.9
183.13890	20.2
184.14230	0.7
187.04021	4.3
199.13399	1.5
201.02039	0.7
201.05499	2.6
201.09184	1.0
201.13097	1.1
201.14954	10.9
202.06334	1.8
207.10274	0.7
209.11803	14.5
210.12146	0.9
225.11377	1.2
227.12871	51.6
228.13200	2.7
245.00908	0.8
245.04552	1.8
245.08690	2.9
245.13918	100.0
246.05304	2.1
246.14336	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0454
Annotation	hispidin
Peak:m/z	Relative Intensity
51.67719	0.5
51.87970	0.5
54.70216	0.4
69.18056	5.4
75.42319	0.5
98.19858	1.1
115.05552	0.8
123.66070	0.5
130.04247	4.3
131.05028	8.3
133.02966	3.3
135.04520	3.4
141.03467	2.7
142.06602	1.8
143.05017	4.9
158.03705	4.0
159.04507	100.0
160.04826	2.7
161.02388	1.0
172.05287	1.5
173.06085	3.1
183.04439	1.5
201.05560	34.5
202.05902	1.8
203.03468	1.5
204.06621	0.6
245.04552	22.5
245.08354	0.9
246.04871	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0453
Annotation	hispidin
Peak:m/z	Relative Intensity
54.93848	0.3
59.01366	0.4
63.86071	0.3
65.00314	0.4
70.98165	0.8
73.94674	0.3
75.70186	0.3
83.01403	0.3
108.62106	0.3
111.16431	0.4
115.05548	1.0
125.84814	0.4
130.04240	4.3
131.05026	6.7
135.04512	3.5
141.03456	2.2
143.05061	0.6
145.02821	0.4
146.03622	0.4
151.04361	0.4
155.05110	0.4
158.03746	4.7
159.04518	100.0
160.04848	4.4
161.02437	0.9
172.05301	1.1
173.06058	1.3
174.21971	0.3
183.04547	0.9
187.04021	0.5
201.05573	36.0
201.09198	1.0
202.05948	1.3
203.03725	0.4
203.12839	0.4
230.09389	0.5
241.77672	0.3
245.04539	14.9
245.08147	1.6
245.11861	0.8
246.04858	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.4
57.03449	1.1
58.51968	0.9
59.01371	2.2
61.98848	1.0
71.01377	2.1
71.50431	2.1
72.04549	2.9
73.92916	1.0
81.02197	3.1
82.02981	4.1
83.01399	8.6
98.02465	7.3
99.00882	3.6
99.92615	1.2
111.03265	3.1
116.07177	100.0
117.07512	1.7
126.05593	3.9
127.00369	11.3
128.10825	13.9
138.09247	16.6
140.07185	2.6
154.08722	10.9
156.10300	1.8
156.84123	1.0
172.05283	1.8
172.09792	14.5
182.08180	14.4
198.07704	50.1
199.07880	1.4
200.07541	1.2
200.09277	7.5
201.09273	3.2
214.60451	1.1
226.05016	2.1
226.07211	36.0
227.07329	1.9
230.41772	1.1
244.08200	11.8
245.08191	2.8
247.06158	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1236
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
59.01386	2.1
64.14889	1.1
71.01369	3.5
71.05016	3.8
71.28613	3.4
72.23784	1.1
83.05022	2.3
97.02943	6.8
97.06606	1.4
99.00879	24.2
109.06664	1.3
110.03732	2.1
125.09716	9.8
133.03026	1.1
142.02699	2.1
153.12823	1.8
163.11317	9.8
164.82545	1.4
165.02483	1.2
177.02026	1.4
181.12343	26.8
197.11937	2.1
199.13370	22.3
207.10248	51.3
225.11319	100.0
226.11577	2.7
243.12360	95.5
244.12740	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1236
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
55.41706	0.4
59.01371	0.9
62.58329	0.4
69.49246	2.9
71.05025	2.6
78.52204	0.4
83.05003	0.9
97.02950	3.7
97.06578	1.5
98.20599	1.0
99.00881	17.8
109.06583	1.1
110.03728	1.7
123.08165	1.3
125.09712	4.9
135.08064	0.7
136.05264	1.0
142.02730	1.1
142.16470	0.4
155.14407	1.6
161.09653	0.5
163.11272	6.2
181.12338	17.8
182.12773	0.8
197.11853	0.9
199.11536	0.5
199.13376	11.7
207.10242	35.8
208.10559	1.7
225.11310	73.3
226.11597	2.3
243.12357	100.0
244.12651	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1964
Annotation	2-Hydroxymyristic Acid
Peak:m/z	Relative Intensity
59.01381	2.9
60.35797	0.5
61.98831	5.9
64.11739	0.5
67.01893	1.3
82.02948	0.8
82.67310	0.5
99.92584	2.9
99.93167	0.6
100.58777	0.5
111.00883	2.2
155.00014	0.6
160.77852	0.5
197.19107	5.1
197.90778	0.7
201.14972	1.6
225.11380	0.7
225.18625	1.7
241.18098	0.7
243.06563	1.1
243.12453	1.5
243.19633	100.0
244.19989	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	241.1081
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
51.90694	0.7
57.03457	1.1
61.23823	0.6
61.90747	0.7
65.74475	0.6
69.03456	3.1
69.37914	5.9
71.05041	3.2
81.03490	0.7
83.05044	1.1
88.49516	0.6
90.20721	0.6
95.21115	0.7
97.06580	0.9
114.23903	0.7
125.09736	2.4
126.28009	0.7
151.11314	1.6
153.12843	2.9
161.09705	1.1
179.10776	6.8
187.12663	0.6
197.11832	100.0
198.12190	3.9
223.09766	2.5
241.00108	0.8
241.05385	4.6
241.10814	68.1
241.21786	1.3
242.05363	0.7
242.11090	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	242.1763
Annotation	N-Undecanoylglycine
Peak:m/z	Relative Intensity
51.03056	1.5
56.85626	1.6
59.06389	1.6
66.03494	2.8
67.01882	5.6
71.51598	2.1
99.00877	2.9
111.00877	5.4
112.98770	1.8
117.65184	1.4
127.00301	2.0
148.20222	1.6
154.99782	2.1
181.15981	27.4
189.85802	1.5
198.18468	2.7
224.16554	7.7
225.14946	36.3
226.15553	1.8
242.17616	100.0
242.22021	11.4
243.15891	7.4
243.18114	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0298
Annotation	1,3,5-Trihydroxyxanthone
Peak:m/z	Relative Intensity
59.01367	1.8
60.93667	1.7
65.00319	9.1
66.01366	2.0
66.61422	1.7
66.99847	1.8
68.99807	3.5
69.63331	13.5
71.01378	3.7
77.03964	3.0
89.03913	1.9
91.21490	1.8
93.01140	1.8
95.01389	19.5
95.04986	2.5
101.03973	2.4
105.03439	7.8
111.00892	2.3
115.05546	13.6
117.03432	5.1
119.01360	3.4
119.05030	71.5
120.05331	2.3
123.04525	21.5
125.29064	1.9
127.05486	2.3
130.04253	2.1
131.05042	11.2
133.02953	77.4
135.04570	2.5
136.05048	1.9
143.05022	67.7
145.02950	40.1
146.03677	9.6
147.00932	11.5
147.04523	26.4
154.04274	2.9
155.04993	8.3
157.02966	4.7
161.06085	9.5
170.03709	4.6
171.04506	56.5
172.04817	2.7
173.02423	37.0
174.03198	10.3
175.03999	100.0
187.03964	7.6
197.02399	2.2
198.03282	9.0
198.04785	2.1
199.04008	30.1
199.07678	2.0
215.03534	15.0
243.02986	55.8
243.06599	2.3
243.12349	4.7
244.03369	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1288
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
56.12781	0.6
58.92845	0.6
59.01368	1.8
62.20927	0.6
62.50259	0.5
81.79468	0.5
95.05032	1.4
101.06092	7.5
109.06602	5.1
111.08184	4.8
122.03722	0.9
125.09709	1.1
138.06886	1.1
139.04015	14.9
154.06358	33.8
155.06676	1.2
159.34639	0.6
167.14423	10.0
168.14638	0.6
179.05609	1.4
179.10765	5.0
182.05875	4.2
195.13901	100.0
196.14262	3.5
239.12848	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	240.0593
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	3.8
64.12394	2.0
69.55789	13.0
74.03153	2.0
90.90195	1.8
94.76064	2.3
97.83414	2.1
109.02525	2.2
120.05373	6.7
121.02936	8.7
122.03286	16.7
135.04436	4.3
136.05183	22.4
137.05637	54.9
152.04344	2.5
152.07962	3.4
163.03557	9.1
177.05598	4.2
178.05887	26.9
191.98926	2.1
195.06555	10.6
196.06964	100.0
220.29996	2.4
240.05937	3.2
259.88004	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	241.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95704	0.5
56.49794	0.6
63.02392	1.1
65.00333	1.3
66.78548	0.6
68.99811	0.6
69.03471	0.7
69.18166	5.7
69.40665	0.5
75.02406	1.6
77.03988	0.7
79.01875	0.7
80.69899	0.5
83.01381	1.7
92.31098	0.5
93.03467	1.9
95.01375	4.2
97.02935	2.7
107.01391	0.6
109.02948	3.2
113.36466	0.6
119.01402	3.6
119.15421	0.6
121.02959	4.6
123.00898	1.2
135.00897	8.1
135.04561	0.5
137.02435	24.0
147.00879	2.6
155.03490	0.7
160.56195	0.5
163.00363	38.7
164.00731	1.2
165.00536	1.0
165.01930	18.1
171.76886	0.5
179.03545	1.0
190.99849	100.0
192.00177	2.3
209.00897	41.1
210.01146	1.3
223.02473	13.5
241.03513	37.4
242.03838	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.056
Annotation	(1R,6R)-6-Hydroxy-2-succinylcyclohexa-2,4-diene-1-carboxylate
Peak:m/z	Relative Intensity
50.95947	1.6
59.01366	6.9
71.24169	4.0
73.80013	1.8
76.81884	1.7
80.17021	1.8
93.39723	1.7
94.16988	1.9
98.20184	3.9
119.05014	6.4
121.02946	19.7
123.04572	2.1
124.01598	2.3
133.62575	1.9
134.03796	2.5
135.04524	23.2
136.05299	80.2
151.03987	4.1
162.03188	9.2
177.05556	30.0
195.06624	100.0
196.06984	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	239.0597
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73022	0.2
59.01376	1.5
59.38890	0.2
59.56472	0.2
59.96721	0.5
59.97040	0.2
70.51047	0.6
74.99072	12.4
75.08730	0.2
85.78718	0.2
91.02209	10.3
93.00130	2.5
104.78139	0.2
140.60432	0.2
140.76878	0.2
149.00954	4.9
161.04469	0.3
179.05515	1.4
203.14671	0.2
206.99690	2.6
223.02829	100.0
224.02882	7.1
229.83907	0.3
239.05872	0.7
239.12733	0.3
241.03885	0.7
246.58484	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12802	0.7
53.43812	0.6
54.56234	0.6
55.20862	0.7
57.03445	2.0
69.65276	2.1
69.65672	1.2
71.01379	2.1
73.02945	43.5
77.03995	0.9
87.04514	56.4
88.04855	0.7
89.06083	100.0
90.06427	1.6
98.14417	0.6
101.14462	0.8
121.02956	77.0
122.03284	1.5
133.05045	1.4
157.90050	0.7
165.01941	0.8
177.26904	0.7
183.43901	0.7
193.01326	0.9
237.00237	0.8
237.04015	1.1
237.07674	26.5
238.07996	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81850	0.9
55.22648	1.0
56.33944	0.8
57.03449	1.8
58.23811	0.9
59.01381	6.1
61.98826	1.3
62.72262	0.9
63.92901	0.9
65.03963	1.0
68.71137	1.0
69.03458	9.3
71.01392	4.6
71.26426	0.9
71.32217	1.5
73.02951	13.4
80.02676	1.6
81.03471	7.6
83.05025	17.8
84.19051	0.9
85.02962	5.5
92.67227	0.9
93.03453	4.5
95.05033	2.2
96.96037	1.6
98.72181	0.9
101.02435	3.6
105.07109	2.7
106.04241	15.3
107.05033	7.5
109.02955	1.3
109.06593	1.6
115.05489	2.0
118.02958	1.5
119.05029	5.2
119.08686	2.3
121.02946	2.5
122.03747	6.4
127.07671	1.9
131.05090	1.1
132.05811	2.0
133.06612	4.9
133.10240	1.3
137.02489	0.9
138.03227	9.5
143.08693	5.2
146.07333	1.5
149.02449	1.5
157.06647	1.2
159.08160	17.2
161.09720	100.0
162.09999	2.7
163.07704	0.9
164.08421	1.1
164.98228	1.1
171.82285	1.1
178.09958	4.0
179.10770	48.2
180.07912	1.2
180.11060	1.9
193.01418	3.6
193.08650	2.3
193.15935	1.6
205.08720	5.8
219.13866	2.0
237.00296	2.4
237.05898	1.4
237.11305	16.1
237.14915	36.0
238.15187	1.3
247.07950	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.9
59.01371	2.1
59.22707	0.5
60.99302	0.5
68.99800	0.4
69.03461	0.7
69.77144	1.3
69.77562	1.1
70.82419	0.4
71.01369	0.9
71.05025	3.3
73.02946	5.2
75.02396	0.7
76.61877	0.4
77.03976	0.6
83.01357	0.4
85.02937	0.8
87.04517	10.6
89.06082	58.6
90.06409	0.6
93.03467	0.9
95.05048	0.5
96.96023	0.7
98.19872	0.6
107.05016	1.2
109.02931	0.5
110.06902	0.4
115.03992	0.6
121.02954	100.0
122.03258	2.3
123.04517	0.6
133.02931	0.6
133.05096	0.6
133.06549	0.5
135.04521	0.7
137.09692	0.6
139.00415	0.7
147.00816	1.2
149.02484	0.4
149.06107	0.6
149.09708	3.4
161.02357	0.5
165.01926	1.0
177.05649	0.4
193.01346	0.7
193.08748	0.4
205.01462	0.6
205.19933	0.4
219.10129	0.5
237.00352	0.9
237.03883	1.6
237.07683	17.5
237.11357	1.3
237.14914	0.6
238.08052	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0434
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.8
64.34889	0.2
69.21648	1.0
69.22080	1.1
71.01366	0.3
73.02934	0.2
73.11732	0.2
79.95735	23.8
80.96519	1.5
91.01904	0.3
98.20650	0.5
101.02445	0.3
111.04562	0.4
128.96941	0.2
131.04993	0.6
133.02994	0.3
134.78333	0.2
135.04530	0.2
135.10597	0.2
137.09735	0.3
147.04573	0.3
155.10780	0.4
159.04506	0.9
159.06285	0.2
159.08089	0.2
161.02415	0.4
163.00441	0.9
170.07405	0.4
171.08159	31.1
172.08521	1.5
175.04019	0.7
176.32350	0.2
190.99878	0.7
203.07141	0.4
220.01920	0.9
234.53719	0.3
235.04335	100.0
236.04642	4.6
249.95245	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0611
Annotation	STELLATIN
Peak:m/z	Relative Intensity
55.53997	0.6
55.84231	0.5
56.57729	0.6
59.01373	1.7
59.85344	0.6
62.74566	0.6
69.36168	4.2
71.01385	1.0
72.75318	0.6
73.02948	3.7
80.96511	1.0
101.02460	0.7
120.34344	0.6
121.02924	0.7
122.03703	0.7
122.09386	0.6
123.04532	1.7
130.04237	2.6
131.05026	6.8
132.02153	0.7
133.02956	19.2
134.03706	0.8
135.04523	10.5
137.02475	1.0
141.03421	1.7
147.04492	0.8
148.05305	1.0
151.04018	1.8
156.24167	0.7
157.09654	0.6
158.03752	2.1
159.04510	100.0
160.04887	1.8
161.02440	44.1
162.02800	1.1
163.00363	3.7
163.07649	0.8
173.06018	0.7
175.03967	1.5
175.07683	1.1
190.99857	2.2
193.05067	2.3
203.03514	13.7
212.26698	0.7
234.98857	1.3
235.06100	51.1
235.13377	1.5
236.06494	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	236.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03896	0.5
57.48262	0.5
60.84972	0.5
63.96241	12.9
71.51292	0.8
75.08849	0.7
79.95736	100.0
100.07689	1.5
101.02464	0.6
108.39103	0.6
116.05395	5.4
120.87154	0.6
126.12878	6.4
136.19394	0.5
169.46782	0.6
170.11867	1.6
172.13417	13.5
176.04752	1.0
188.11113	3.7
205.08652	0.9
236.09618	71.8
237.09851	1.7
240.71704	0.7
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
52.58604	0.2
61.98825	0.4
69.41944	1.9
70.76153	0.2
85.02975	0.2
87.17735	0.2
134.03677	0.4
135.04520	0.5
136.05212	0.5
141.24481	0.2
148.05305	9.1
149.05894	0.2
149.09708	1.6
162.06850	0.3
175.07629	0.5
176.08412	1.0
177.09206	45.0
178.09479	1.9
190.09953	1.5
191.10730	1.0
192.11554	32.4
193.11913	1.6
193.75453	0.2
201.09248	0.6
203.07123	0.7
216.23512	0.2
216.51886	0.2
217.08694	3.2
218.09464	8.8
219.09935	0.4
224.54219	0.2
236.10526	100.0
237.10909	5.0
237.14813	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1498
Annotation	Huperzine W
Peak:m/z	Relative Intensity
55.06977	0.3
59.01369	1.4
59.01654	0.3
60.70911	0.3
70.07773	0.9
73.50166	0.3
78.51737	0.3
91.01901	0.4
96.43793	0.3
119.01295	0.4
163.00302	1.0
179.07115	0.5
190.08713	0.5
190.99826	0.8
204.10318	0.3
207.13882	0.7
216.06874	0.4
218.11836	1.6
234.14975	100.0
234.98732	0.8
235.15273	4.3
251.11589	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	234.9883
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67365	0.5
59.01373	1.5
63.02390	0.8
65.00318	1.4
67.01885	0.8
67.64658	0.5
71.01398	2.1
71.51939	0.6
71.52279	0.7
71.66126	0.5
75.02386	1.0
85.47884	0.5
87.60566	0.5
91.01891	18.1
95.01381	8.1
96.96029	1.2
101.02443	1.2
107.01398	2.0
113.02418	0.8
115.00376	0.5
119.01388	8.3
119.05049	1.5
133.02939	0.8
135.00926	4.0
135.04518	0.7
147.04517	1.1
163.00371	100.0
164.00726	3.1
175.04008	0.6
176.04721	0.9
190.99855	88.2
191.03502	1.7
191.07132	1.4
191.10771	0.5
192.00220	3.1
217.08728	1.1
234.15805	0.6
234.98822	45.1
235.06055	1.2
235.09720	1.2
235.99179	1.3
236.06772	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.9883
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80833	0.4
59.01394	3.3
65.00323	2.4
65.98945	0.5
71.01386	3.8
71.51323	0.6
71.51754	0.9
73.02943	1.6
74.69152	0.4
74.93649	0.5
83.01380	0.7
85.02964	1.4
91.01896	17.5
92.02229	0.6
93.03478	0.6
95.01392	6.6
95.86922	0.5
96.96019	1.9
99.00873	0.6
101.02452	2.5
107.01395	1.8
113.02447	1.2
114.78105	0.6
119.01385	7.8
119.05043	2.1
129.73570	0.5
133.02972	1.4
134.03740	0.6
135.00882	4.9
135.04555	1.2
145.02881	0.7
147.00766	0.5
147.04526	1.2
148.05362	0.5
161.02475	0.6
163.00372	100.0
164.00645	2.7
173.02449	0.5
175.03806	0.5
176.04807	0.6
188.59953	0.4
190.99863	89.0
191.03467	1.9
191.07127	1.4
192.00279	2.7
195.84343	0.5
217.08684	1.0
220.03683	0.8
234.98824	41.6
235.06183	1.8
235.09811	1.0
235.11859	0.8
235.99258	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32826	0.2
59.01380	3.5
59.96731	0.8
60.97513	0.3
74.99068	9.4
75.96224	0.3
85.32262	0.2
87.70954	0.3
91.02223	1.0
93.00128	2.0
93.03473	0.6
109.06599	0.5
118.96212	2.2
118.96929	0.2
123.78365	0.3
134.99399	7.2
135.99432	0.3
136.97351	2.1
141.07411	0.4
142.12854	0.3
143.05341	1.1
149.00955	73.4
150.00911	2.8
150.98886	0.7
159.08475	2.6
161.06410	3.3
167.01996	0.3
173.04575	0.5
197.40340	0.3
201.04146	0.4
215.05653	1.4
217.07198	99.4
218.07332	5.5
233.10329	100.0
234.10454	6.1
235.08167	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.0771
Annotation	Swietenidine A
Peak:m/z	Relative Intensity
56.99023	0.5
69.59581	2.9
98.20650	1.0
109.02943	1.5
134.02457	1.8
135.04526	1.6
147.04486	0.6
148.02876	0.5
148.04086	0.5
160.04044	10.9
161.04829	6.5
161.06079	0.9
162.05417	0.7
163.07628	5.9
173.06044	1.1
174.05606	2.8
175.06375	3.6
188.05548	1.0
188.07167	14.5
189.07864	0.7
190.08731	100.0
191.09077	4.2
215.05913	1.9
216.06644	56.5
217.06938	2.2
234.07706	31.7
234.15852	1.1
235.08063	1.3
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	Coumarsabin
Peak:m/z	Relative Intensity
50.37026	0.3
59.01374	1.3
63.46099	0.4
66.22602	0.4
69.51230	2.4
98.20668	0.5
99.36887	0.4
137.22267	0.4
159.04520	24.6
160.05321	6.4
161.06062	1.6
173.04533	0.5
173.06027	0.5
174.06898	0.7
187.07643	4.9
188.08455	1.4
189.09219	15.2
190.09694	0.5
203.03499	100.0
203.41031	0.4
204.04243	32.0
205.04640	1.0
205.08672	0.6
231.06607	1.1
233.08188	46.3
233.15503	3.9
234.08501	1.8
238.77129	0.5
242.49171	0.4
250.96330	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24297	0.5
59.01382	7.8
59.45209	0.6
69.42083	3.3
71.01390	5.9
85.06593	23.1
86.06933	0.6
87.92534	1.1
88.04045	100.0
89.04382	1.0
93.03450	0.9
98.19910	0.8
98.98112	0.4
113.06102	3.8
116.03515	0.9
130.08737	1.5
135.08180	0.6
147.04475	0.6
150.17851	0.6
150.19041	0.6
159.04503	0.6
160.04955	0.6
160.09802	20.7
160.11147	1.0
161.10225	0.5
172.05310	0.9
173.05717	2.9
173.08199	0.6
174.06657	0.6
175.07204	1.8
176.04604	0.6
176.60809	0.5
187.07574	3.4
188.08025	18.5
202.05962	1.2
203.03366	0.6
203.06705	1.6
203.10381	2.0
204.11195	2.3
205.04517	0.8
228.72171	0.5
232.07050	10.1
232.10425	6.9
232.12013	9.3
233.10327	0.7
233.15454	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	229.1444
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
51.47909	0.3
57.03450	1.5
59.01366	0.6
69.23856	2.2
69.24265	0.7
71.05014	1.1
83.05025	0.5
83.33130	0.3
84.02170	0.5
85.02966	0.6
86.76905	0.3
97.06568	0.8
114.31797	0.3
125.09708	4.2
127.11284	4.8
127.40553	0.3
141.41045	0.3
155.14413	2.6
165.12804	0.9
167.14375	2.3
183.13895	0.5
185.15517	0.4
200.04765	0.7
201.09236	0.5
209.11824	2.1
211.13387	3.6
229.14427	100.0
230.14731	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	229.1809
Annotation	O-11
Peak:m/z	Relative Intensity
59.01355	0.5
61.98819	0.7
62.15181	0.5
74.42908	0.5
99.92580	1.9
116.92824	0.7
138.79776	0.5
153.12874	0.5
155.14427	1.0
156.89481	0.5
157.06537	0.7
158.03711	0.8
167.14409	0.5
183.13890	0.8
183.17542	4.6
185.02467	0.6
185.06091	0.9
187.07494	0.7
191.94839	0.5
200.04819	0.6
201.05478	0.6
201.09206	1.0
211.13345	1.2
211.17075	1.5
227.12923	0.6
227.16570	0.9
229.04684	1.6
229.08820	4.9
229.14622	16.7
229.18060	100.0
230.02214	0.9
230.04637	0.5
230.18384	4.8
243.40657	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1026
Annotation	Lacinilene D
Peak:m/z	Relative Intensity
50.70098	0.7
57.03441	1.3
57.92575	0.7
69.03459	1.1
69.50146	1.9
69.50556	4.1
81.03454	0.7
84.68805	0.8
85.02934	1.1
106.32069	0.7
108.02151	0.9
109.02943	1.3
130.04233	2.9
131.70189	0.7
134.03738	1.8
135.04492	0.9
143.05028	0.8
143.08650	2.6
144.05815	5.5
145.06613	0.9
146.03717	2.3
147.04541	0.8
147.08089	1.3
149.06079	0.9
151.07635	3.5
158.03734	10.4
159.04520	13.1
159.08151	24.1
161.02454	1.1
161.06055	0.9
161.09758	2.6
172.05301	7.7
173.02480	0.8
173.06068	23.3
174.06845	6.1
175.07675	4.3
184.05281	1.1
185.06143	1.1
185.09708	4.1
186.06917	1.1
187.04070	12.3
187.07635	100.0
187.11205	2.2
188.04761	1.7
188.08101	6.2
189.09117	1.2
193.28687	0.9
195.08243	0.9
197.06113	1.0
201.05566	14.3
201.09160	1.3
202.06345	46.8
202.09990	3.3
203.06732	1.5
203.10762	9.4
204.04158	1.1
213.09193	8.5
216.07913	8.0
229.08676	1.9
231.03026	4.2
231.06534	5.5
231.10242	83.1
232.10588	4.0
253.84737	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57263	0.5
58.02970	7.9
61.36377	0.6
62.57865	0.5
70.49257	0.9
70.49593	1.3
71.01376	1.1
73.04080	0.5
74.02473	65.0
75.02795	0.6
85.04039	0.8
87.05610	0.8
112.02795	1.0
126.09243	3.2
128.10809	0.8
130.08737	2.8
134.03802	0.9
143.04941	0.8
143.11899	100.0
144.12202	1.5
154.08740	11.1
155.09203	0.6
157.06578	1.0
158.07365	2.6
160.75247	0.8
167.11925	1.2
171.04475	0.9
172.05313	2.0
173.06064	1.2
173.09747	1.4
173.24803	0.7
185.06099	1.7
185.11407	1.2
185.12955	14.7
186.03175	0.6
186.06839	2.2
187.10883	3.2
200.04884	3.3
201.09207	3.6
202.06310	0.9
229.04990	1.8
229.08699	10.7
229.11938	30.7
230.12300	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1444
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
56.45969	0.5
59.01379	4.8
69.78885	2.3
72.00909	1.1
72.03143	0.5
81.24004	0.5
83.05014	0.7
97.06583	0.5
100.00423	2.3
100.42271	0.5
103.37795	0.5
120.51420	0.5
130.06598	1.8
142.06636	7.8
143.05054	1.1
149.13306	0.7
163.11380	0.5
167.14351	0.7
169.12343	13.0
170.12604	0.5
172.05269	1.3
173.02348	0.7
173.06169	0.7
174.03198	0.6
175.11327	0.5
181.12326	6.0
183.13872	1.4
185.06036	1.8
186.05482	2.7
186.07030	1.0
193.12340	6.7
199.04018	0.7
199.13365	3.9
200.04794	2.3
201.05473	0.5
201.09177	2.8
209.11780	0.6
211.13454	15.4
212.13673	0.6
213.05556	0.9
214.06332	8.5
227.12953	1.3
229.04958	1.8
229.08684	46.3
229.14427	100.0
230.08934	1.6
230.14778	3.9
246.05295	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	229.0715
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74059	1.3
57.03444	3.3
59.01381	34.8
69.03488	3.6
69.65990	8.9
71.01389	3.5
72.99342	2.3
78.95889	1.9
83.01420	2.6
83.05030	1.9
87.00912	2.0
95.05009	2.2
96.96961	1.9
97.02949	3.6
97.06585	26.9
99.04495	4.1
101.89478	2.0
107.05028	3.1
109.06608	2.0
111.66254	1.7
115.57027	1.6
115.92051	2.3
116.92873	3.4
117.93925	1.5
119.08617	3.0
121.06614	1.9
125.06082	18.6
141.01959	2.2
143.07140	46.0
147.04556	2.0
149.05956	1.8
157.06526	2.2
166.05667	1.7
169.05093	10.9
172.05342	2.2
184.75578	1.5
185.06151	3.2
185.08206	1.7
187.06116	100.0
188.06474	2.3
201.05640	2.1
201.09305	1.6
203.57201	1.8
211.07590	1.7
229.01305	2.0
229.05190	2.8
229.07048	5.0
229.08685	9.6
229.10789	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	227.1288
Annotation	Traumatic acid
Peak:m/z	Relative Intensity
51.11049	0.5
57.03429	0.6
59.01368	0.8
69.48568	1.8
69.48999	2.1
70.67197	0.5
71.01375	0.7
71.05014	0.6
79.73862	0.6
79.95731	0.9
80.02672	2.4
81.03458	1.8
81.50245	0.5
83.01374	0.6
83.05026	6.8
84.02164	3.3
88.37585	0.5
95.05019	1.8
97.06581	1.6
98.19928	1.0
109.25326	0.5
111.08198	0.6
119.33582	0.5
125.06096	0.8
125.09697	1.0
135.04477	3.5
135.08153	1.5
137.06097	1.0
163.11287	6.3
165.12843	7.8
181.12317	1.3
183.13937	5.1
191.10751	1.7
196.06374	1.0
199.13403	1.0
209.11824	100.0
210.12192	3.9
227.02826	2.1
227.05124	0.7
227.07205	1.7
227.12871	10.6
227.20247	1.7
228.13190	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1289
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
57.03458	0.6
59.01371	1.1
69.96279	0.4
83.67255	0.5
111.08157	1.2
114.55923	0.4
139.79167	0.5
165.11415	0.8
165.12843	18.6
183.13895	100.0
184.14262	3.3
209.11917	2.6
227.03441	0.8
227.07135	0.9
227.12880	16.9
227.20160	2.1
228.13217	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.2017
Annotation	Myristic acid
Peak:m/z	Relative Intensity
50.19746	0.2
55.55957	0.2
57.67450	0.2
59.23647	0.2
67.01909	0.2
70.74565	0.3
70.74879	0.4
77.54275	0.2
83.95969	0.2
95.01387	0.3
118.37632	0.2
163.40698	0.2
183.13873	1.1
209.19273	0.2
227.20164	100.0
228.20485	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.129
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18704	0.4
59.01377	2.6
60.36031	0.4
66.50442	0.4
69.03506	0.6
71.09103	1.0
83.05061	0.5
103.97464	0.4
111.00864	1.0
111.08188	0.9
118.29555	0.5
137.02489	0.4
139.11295	0.8
156.71826	0.5
163.35161	0.4
165.12843	20.6
166.13248	0.6
181.12334	1.0
183.13896	100.0
184.14204	3.7
185.11833	2.1
209.11787	3.8
227.03381	0.8
227.07019	1.6
227.12852	20.6
227.20122	6.4
228.10164	0.5
228.13046	0.9
244.00883	0.4
245.05493	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1289
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
55.11452	1.2
55.64773	1.2
57.03447	2.3
59.01377	9.8
69.03457	60.7
71.01373	2.5
71.05025	13.5
81.03456	2.1
83.05013	4.2
84.02158	1.1
84.34798	1.1
85.97524	1.3
95.05025	1.5
97.06563	1.9
99.04514	1.5
107.05003	1.4
109.06590	9.9
111.08170	7.9
127.07659	87.6
128.07941	1.4
134.03716	4.7
135.04546	2.8
135.11821	3.4
147.11801	3.9
149.06081	3.3
153.09109	1.2
155.07138	14.1
163.11273	1.3
165.12833	7.3
173.06038	1.2
179.10750	3.5
183.10240	1.7
183.13870	5.9
191.10796	2.0
197.11824	11.7
209.11823	56.9
210.12099	1.9
227.03780	2.3
227.07025	5.4
227.12868	100.0
227.20190	4.5
228.13196	3.9
229.04922	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0383
Annotation	Unknow
Peak:m/z	Relative Intensity
69.86264	1.3
71.51817	2.6
71.61651	1.3
82.71891	1.7
83.02695	1.8
88.04049	5.3
114.02007	1.7
126.55228	1.4
132.03006	4.9
134.03741	100.0
135.04068	3.7
149.06079	85.8
150.06392	2.3
151.99333	2.1
164.31770	1.5
167.01726	3.0
183.13968	1.9
187.46561	1.9
195.41226	1.5
227.03792	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	227.1289
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
50.39531	0.4
59.01360	0.5
70.02400	0.5
70.02736	1.8
71.05013	0.8
79.09465	0.4
79.95297	0.5
79.95736	9.4
80.02677	2.2
81.03436	1.8
83.01384	0.7
83.05028	6.6
84.02163	3.9
95.05016	1.3
97.06534	0.9
125.06059	1.0
135.04492	1.0
135.08174	1.1
135.50322	0.5
137.02431	0.6
163.11269	7.1
165.12842	3.8
181.12300	0.6
183.00414	0.5
183.13882	2.1
191.10754	1.8
195.04707	1.1
199.07695	0.7
199.13370	2.2
209.11823	100.0
210.12123	3.9
212.05144	3.5
227.02818	6.8
227.07466	36.0
227.12823	7.1
227.20245	0.9
227.52969	1.7
228.07813	1.3
244.04010	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.0
65.00333	7.2
69.03457	1.8
71.05022	3.7
71.22099	1.5
77.03964	9.8
79.01892	24.2
80.02204	1.1
82.25291	1.3
83.01390	2.5
93.03463	2.6
95.05046	7.7
97.02342	2.1
97.02949	27.2
99.00891	1.2
109.02976	1.0
110.49196	1.0
121.02960	37.2
122.03216	1.2
123.00879	2.8
134.03757	5.1
135.00883	1.2
137.02452	34.3
137.03510	1.6
138.02850	0.9
139.03052	1.7
139.04019	20.7
149.06050	5.2
163.00397	3.6
165.01932	100.0
166.02257	3.2
176.05122	1.0
178.37480	1.1
183.03001	28.0
183.11392	1.3
183.13850	1.4
190.99899	4.5
206.60771	1.3
209.00919	99.2
210.01248	2.4
227.01978	47.0
227.20149	1.2
228.02368	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	227.0198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.2
62.35182	0.9
64.10037	0.9
65.00316	6.0
69.03460	1.1
69.55309	4.6
69.55721	2.1
71.05035	3.1
75.21196	0.8
77.03967	7.7
79.01897	25.9
82.76653	0.9
83.01386	1.6
85.90633	0.9
93.03462	2.7
95.01379	1.5
95.05032	8.2
97.02952	30.2
98.98678	0.9
109.02954	1.3
115.03992	1.0
121.02959	32.4
122.03298	1.5
123.00916	2.4
134.03708	2.0
137.02444	31.6
139.04013	23.5
141.01981	1.1
145.51471	0.9
149.06023	2.0
163.00357	4.0
164.25224	0.8
165.01935	93.4
166.02263	2.4
183.02986	28.7
183.13956	1.3
190.99866	3.6
209.00908	100.0
210.01291	2.2
227.01970	48.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1608
Annotation	1,8-Diazacyclotetradecane-2,9-dione
Peak:m/z	Relative Intensity
56.49671	0.5
57.03473	0.5
58.02967	0.5
59.01375	1.5
61.33919	0.4
67.01860	0.5
68.99829	0.5
71.52057	0.8
72.04533	1.2
77.03972	1.8
79.05512	0.5
80.05061	0.7
81.03456	14.4
83.05024	82.2
84.05355	1.3
84.97529	0.5
93.03461	3.2
95.01405	1.5
95.05040	2.2
105.03461	3.5
107.05045	5.8
108.04536	1.1
108.93450	0.4
109.02947	1.5
109.06596	0.5
116.21700	0.6
121.02946	5.1
122.06106	0.6
123.04532	4.5
125.07212	3.7
126.90491	0.9
135.04526	1.2
137.02420	2.2
137.06068	1.2
137.09726	0.7
143.08257	3.1
145.10188	0.5
148.01628	1.3
149.02423	4.8
149.06042	0.5
151.04001	0.6
152.01152	0.8
154.12387	3.2
158.31165	0.4
163.00311	0.5
165.01926	0.4
178.99887	1.0
179.03488	0.8
181.05159	2.2
181.06438	0.4
181.08691	0.5
182.08220	0.9
182.11850	1.4
193.01428	1.2
206.99405	0.9
207.02957	1.2
207.15021	9.9
224.90506	0.6
225.00432	0.6
225.04085	1.8
225.11397	2.0
225.16075	100.0
226.10814	1.8
226.16364	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	11.0
63.25634	0.8
67.01866	1.3
68.25065	0.8
69.03459	0.9
69.21759	9.1
71.04992	1.1
73.02941	1.7
80.02674	2.2
81.03475	6.1
83.05021	3.5
84.02177	2.6
93.03470	4.5
95.05042	1.3
97.02969	12.0
99.00881	1.6
104.82079	0.9
107.04977	1.1
109.06593	40.1
110.03735	6.4
110.92060	0.8
111.00873	3.5
111.25561	1.2
121.03010	2.0
121.06589	2.6
123.00925	4.5
123.04544	1.2
125.09734	1.3
135.08168	4.9
136.05316	2.5
137.02477	2.2
142.02713	7.3
160.55316	1.0
161.09714	2.2
163.11295	27.3
164.11620	0.9
165.01924	3.3
165.09285	1.0
179.10768	1.2
181.10837	1.2
181.12354	15.7
185.64304	0.9
189.09163	1.5
193.01395	2.5
207.10255	100.0
208.10611	3.8
225.04005	3.1
225.11316	94.0
225.14908	2.8
226.11633	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1131
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
59.01380	7.7
59.18755	0.5
66.98798	0.4
71.01386	0.5
81.51208	0.4
83.05024	1.1
93.03465	1.4
98.20653	1.3
107.08662	0.4
121.10225	1.0
136.98811	0.7
137.09674	0.6
163.11295	5.4
165.09196	0.6
178.99495	0.5
181.12340	100.0
182.12671	3.4
183.10280	3.4
189.09148	0.7
207.10262	0.6
225.11353	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1497
Annotation	Annuionone E
Peak:m/z	Relative Intensity
59.01373	2.4
61.98841	3.3
62.60386	0.6
65.00320	1.0
70.84698	1.8
83.05027	1.7
93.03449	2.5
126.90488	1.1
128.65854	0.7
136.98831	1.2
137.02454	1.1
161.05481	0.6
163.11328	0.7
163.14902	1.2
181.12363	1.7
195.13908	9.6
197.15437	4.8
207.10353	1.0
207.13895	25.9
208.14177	0.9
225.03998	0.9
225.14948	100.0
225.92725	1.3
226.15338	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	223.134
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
57.03437	1.4
59.01387	4.7
61.98822	1.4
65.61410	0.9
69.03465	7.3
70.71137	0.9
70.75577	2.8
71.05003	2.4
71.37740	0.8
83.05040	1.7
85.06578	1.3
96.95966	1.4
109.06541	1.2
125.09708	1.2
149.09692	1.9
151.11331	1.0
167.10764	8.9
177.12857	1.1
179.10805	3.7
179.14430	10.2
195.13921	28.7
196.14159	1.3
205.12349	24.3
223.02873	1.1
223.13394	100.0
224.13724	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77410	0.8
59.01378	12.2
70.78298	1.9
70.78665	1.6
71.01387	2.9
74.73684	0.8
81.03491	1.0
82.02985	1.5
95.05029	0.9
107.05000	0.9
108.02118	1.5
109.02950	100.0
109.06577	2.4
109.24062	0.7
110.03271	2.0
115.66599	0.9
119.05037	3.0
121.02938	6.0
122.03743	1.8
123.04537	1.1
134.03764	3.1
135.04507	3.8
137.06081	15.0
145.72305	0.9
149.02461	0.9
149.06055	1.5
151.03874	0.9
163.03969	2.7
179.01178	1.0
181.05084	6.5
181.09811	1.5
225.01759	1.7
225.08992	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90733	0.7
59.01373	1.8
61.23682	0.7
66.36076	0.7
66.42798	0.7
69.37164	1.2
69.37570	4.8
73.02947	1.0
81.03411	1.1
83.01389	0.9
93.03466	3.5
97.02955	9.6
98.19926	1.6
99.00864	3.2
102.63529	0.7
105.28368	0.8
109.06582	6.0
110.03726	3.8
111.00838	2.3
121.02958	2.4
121.83501	0.7
123.00893	3.6
123.04507	1.3
125.09682	1.1
127.49508	0.8
135.08168	1.6
136.05290	1.6
137.02412	1.5
142.02690	4.4
149.02457	0.8
161.09729	1.1
163.11287	10.8
164.11560	0.9
165.01884	1.6
172.39355	0.9
181.12337	28.4
182.12619	0.8
193.01385	1.4
197.11823	1.1
207.10252	70.5
208.10625	3.1
210.05310	0.9
225.03979	3.8
225.11314	100.0
226.11661	3.3
245.49443	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1546
Annotation	Kobusone
Peak:m/z	Relative Intensity
57.64404	0.2
59.01366	0.6
77.12824	0.1
81.67135	0.1
84.67455	0.1
87.38372	0.1
88.18994	0.1
101.06077	0.2
105.17411	0.1
105.72678	0.1
109.62061	0.1
127.07646	0.5
133.02946	0.4
148.05290	0.3
149.02469	0.2
149.05989	0.4
151.07655	0.4
164.08418	2.4
165.09087	0.2
177.01912	0.9
177.65674	0.1
205.12296	1.8
206.12639	1.0
207.13876	1.1
220.14682	4.1
221.00888	0.6
221.15443	100.0
222.15797	4.6
235.13414	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45679	10.2
55.70295	10.0
59.01376	67.5
71.29244	20.6
79.61347	9.6
129.15523	12.4
134.03651	12.4
135.11810	24.1
135.34155	10.3
155.98251	12.8
161.09712	12.6
179.10803	100.0
179.32010	10.3
191.03424	12.4
222.98898	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	223.0975
Annotation	2,4-Dihydroxy-6-pentylbenzoate
Peak:m/z	Relative Intensity
59.01380	75.5
69.25780	29.8
69.26199	12.8
74.02200	4.2
74.11999	3.8
84.19374	4.7
107.08721	8.9
114.22034	4.4
133.10194	4.0
135.11803	36.5
147.60864	4.5
161.09694	5.3
177.09215	4.1
179.10762	100.0
179.12222	5.3
186.35725	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48336	0.8
57.03440	1.2
59.01383	7.3
61.98841	5.5
63.06368	0.6
65.00303	0.7
69.03464	6.5
69.89057	2.3
69.89465	1.4
71.01417	0.8
71.05016	1.7
74.99073	2.2
76.78179	0.7
83.05029	0.7
85.06564	1.2
93.00144	0.9
95.04989	0.9
96.96026	1.3
98.19986	0.9
107.01392	1.1
107.89361	0.8
109.06596	2.2
120.89841	0.8
125.09678	0.7
135.11768	1.1
148.86041	0.7
149.00931	1.6
149.09705	1.7
151.03987	1.9
161.13382	1.0
166.06387	4.1
167.10777	9.8
176.83656	1.6
177.12814	1.7
178.99818	1.1
179.10806	3.8
179.14391	9.9
193.01419	1.1
195.13898	32.4
196.14168	1.3
205.12317	22.3
206.12578	1.0
208.03802	1.5
222.95148	0.9
222.99022	0.8
223.02849	8.0
223.13390	100.0
224.13715	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	221.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23416	6.9
59.01117	7.8
59.01384	100.0
67.32421	6.6
67.49531	6.5
67.62122	6.7
69.03448	12.8
70.84645	16.4
71.01363	34.8
71.05031	18.1
71.08670	6.9
73.02943	42.4
75.00842	6.6
83.01391	7.5
85.02923	13.8
89.02429	8.2
96.96025	52.6
101.02434	24.8
105.03444	11.5
108.03924	7.4
113.02438	13.6
121.02916	12.9
133.02931	15.6
153.69276	7.2
177.01945	43.0
221.00833	26.1
221.08449	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	221.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73459	1.2
56.34063	1.3
59.01373	5.2
59.94622	1.3
66.26597	1.3
70.13611	2.3
70.13988	2.6
71.05019	90.4
73.06586	1.8
75.02401	3.5
77.03944	2.2
93.03463	4.0
99.50930	1.5
105.03484	1.7
107.05037	9.1
112.21329	1.4
112.59481	1.3
116.92220	1.4
119.01385	2.0
121.02960	60.1
133.02950	4.1
134.03743	100.0
135.04433	2.4
147.00882	18.6
149.09698	15.2
162.63910	1.5
165.01837	2.8
177.01947	11.6
177.09200	14.9
184.57288	1.3
190.99925	3.9
221.00932	8.2
221.08185	43.7
222.08476	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12259	1.3
58.59884	1.3
59.01373	3.7
71.05021	97.1
72.05335	1.7
73.06566	3.4
75.02397	4.5
75.75505	1.6
89.03976	1.6
93.03433	3.5
98.19832	2.6
100.93965	1.4
107.05033	8.6
119.01367	2.0
121.02965	65.6
122.03274	1.3
133.03015	3.1
134.03743	100.0
135.04460	2.8
147.00874	24.1
147.08105	3.0
149.09747	16.5
165.01988	1.8
175.07661	1.8
177.01929	5.6
177.09224	19.1
190.99850	3.1
193.08720	1.7
199.18571	1.6
221.00838	5.7
221.08192	43.5
228.93787	1.4
233.39206	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0092
Annotation	Mompain
Peak:m/z	Relative Intensity
53.43617	0.3
58.41761	0.3
66.56828	0.3
70.10116	1.5
77.03983	1.6
81.03455	3.3
85.84384	0.4
89.03971	14.4
93.03445	2.0
95.05007	0.7
105.03465	19.5
106.03819	0.7
107.01381	0.9
109.02959	0.7
112.00174	0.4
121.02966	2.2
133.02960	38.4
134.03302	1.1
139.04045	0.6
145.14458	0.4
149.02449	5.0
169.24898	0.4
177.01930	100.0
178.02271	3.4
221.00909	66.3
222.01224	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	221.0277
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.3
63.14722	0.2
63.17951	0.3
63.45251	0.2
70.01569	0.8
71.01369	0.4
74.08169	0.3
79.95734	23.0
80.44494	0.3
80.96507	0.3
87.92980	0.3
89.03985	0.4
101.02320	0.3
105.03468	0.7
113.72970	0.3
133.02950	1.4
149.06090	0.4
156.05769	0.6
157.06583	30.2
158.06909	1.0
177.01936	4.2
177.09251	0.7
221.02763	100.0
222.03098	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	221.0277
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.7
61.24181	0.3
69.17320	3.2
73.02969	0.4
79.95732	23.2
80.96530	0.4
89.03963	0.7
105.03439	1.1
121.06574	0.6
133.02979	1.9
149.06058	0.8
154.26762	0.3
156.05824	0.7
157.06587	30.0
158.06932	1.3
176.70052	0.4
177.01932	5.7
177.09166	0.6
182.96893	0.3
188.04591	0.3
221.01155	4.2
221.02765	100.0
222.03069	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0665
Annotation	6-Acetyl-D-glucose
Peak:m/z	Relative Intensity
52.64826	2.8
53.15907	2.9
57.03439	4.3
59.01381	100.0
60.38282	3.0
61.84267	2.5
64.95722	2.7
65.50349	2.9
69.03445	2.9
71.01394	21.9
71.50236	3.9
71.50603	3.2
72.99306	10.5
73.02955	9.2
81.03434	5.1
81.52945	2.8
85.02970	8.2
87.00873	6.1
89.02453	4.8
89.03969	10.4
93.03456	4.6
95.05026	4.4
101.02434	9.5
105.03466	13.0
109.02977	3.7
113.02453	6.9
119.05016	26.6
121.02969	4.6
129.01918	15.6
131.03485	4.1
133.01411	3.6
133.02950	25.6
133.06694	3.3
134.03937	2.9
145.02971	6.7
147.04507	31.4
149.02448	4.7
159.04416	4.4
161.02756	9.3
161.04559	8.8
163.03993	7.1
166.62511	2.7
177.01927	75.4
177.05563	11.3
177.07492	2.5
177.09152	5.0
179.03842	16.4
180.06682	4.8
181.10576	2.6
193.04961	5.1
203.05576	8.1
212.27982	3.0
221.00929	54.7
221.04568	14.4
221.06682	13.8
242.62390	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	220.0012
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.4
61.98828	2.8
69.37683	4.1
71.05023	3.2
74.76250	0.5
75.51299	0.5
89.03972	0.6
91.10843	0.4
95.01393	1.3
95.02721	0.5
96.96005	0.6
104.02686	100.0
105.03019	2.0
120.02177	11.7
121.02976	2.7
123.00900	3.0
133.02962	1.7
134.03732	4.2
136.01697	0.6
147.00844	1.4
148.01666	60.4
149.02022	0.9
149.09723	1.0
176.01137	21.1
177.01949	5.0
177.09285	0.6
180.00681	1.1
180.45674	0.7
192.00633	9.9
195.51085	0.5
205.80811	0.5
219.17511	1.9
220.00117	83.7
220.17946	1.5
221.00665	4.8
221.04440	0.6
221.08168	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	220.0013
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.9
61.98838	1.9
68.10193	0.4
69.20500	3.9
78.91757	0.4
84.58542	0.4
89.04008	0.5
95.01357	0.9
104.02686	100.0
105.02991	2.9
120.02177	13.4
123.00896	2.9
133.02977	0.7
136.01660	0.9
148.01668	57.8
149.01965	2.0
176.01158	22.0
177.01808	1.6
180.00647	1.5
192.00638	9.6
219.17598	1.0
220.00131	90.0
220.17859	0.6
221.00591	4.6
242.62683	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0091
Annotation	Unknow
Peak:m/z	Relative Intensity
57.96536	0.4
65.54401	0.4
69.56226	1.9
69.56644	1.0
77.03986	0.9
77.30717	0.5
81.03459	2.4
83.18447	0.5
85.29791	0.4
88.21611	0.4
89.03974	11.8
93.03442	1.1
95.05070	0.9
98.20592	0.9
101.30344	0.4
105.03465	16.9
107.01384	0.9
121.02969	1.5
133.02959	32.0
134.03259	0.8
137.45694	0.4
149.02480	4.1
177.01932	100.0
178.02269	2.6
221.00908	67.4
222.01260	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	217.003
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91348	0.6
57.19406	0.6
59.01378	100.0
70.52258	2.0
79.68962	0.6
83.55463	0.8
90.97134	1.9
92.74353	0.7
102.63641	0.7
118.96642	1.0
132.98183	2.2
158.84650	1.8
174.97719	1.4
174.99243	26.8
203.24283	0.6
217.00282	23.6
218.62405	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0658
Annotation	1-Hydroxypyrene
Peak:m/z	Relative Intensity
59.01380	13.0
60.03624	0.2
60.73429	0.2
61.98817	0.3
62.79863	0.2
71.01379	0.3
71.52722	0.3
83.05031	0.2
85.02960	0.3
91.35413	0.2
96.96015	0.5
107.23430	0.2
117.03485	0.5
118.96624	0.3
124.89133	0.6
132.98090	0.2
145.02943	0.6
173.06021	0.5
174.99248	3.2
187.03970	0.3
188.04755	0.2
188.89526	0.2
189.01840	0.3
189.07083	0.5
202.02657	0.2
202.06308	0.4
217.00145	3.0
217.06577	100.0
218.06920	5.3
218.08641	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.1033
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
59.01362	2.0
65.01352	0.5
67.44847	0.5
71.01382	11.6
71.05017	17.9
71.49549	0.7
88.04040	100.0
89.04375	1.1
99.04520	6.9
105.04411	0.5
112.10546	0.5
116.07202	2.8
129.05521	1.1
146.08229	48.2
147.08513	1.0
218.10321	23.0
219.10672	0.7
219.17587	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1651
Annotation	7-Hydroxydodecanoate
Peak:m/z	Relative Intensity
59.01369	1.8
61.98822	1.0
62.22021	0.5
65.00311	1.0
69.66360	0.5
71.01378	0.8
71.52821	0.9
83.05036	0.7
99.00876	1.3
108.99290	0.7
122.89438	5.9
139.11287	1.1
144.00909	6.3
153.12805	0.7
169.15953	4.1
171.01994	1.1
172.05289	0.7
183.10254	0.7
186.89806	2.7
187.03992	1.0
187.07603	0.8
197.15413	2.7
200.04790	1.6
200.08029	1.1
215.00984	48.6
215.07127	5.0
215.10745	1.9
215.16501	100.0
216.01282	2.1
216.16844	4.7
224.51913	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0924
Annotation	Decarestrictin N
Peak:m/z	Relative Intensity
53.41275	1.1
56.33431	1.2
59.01368	3.4
69.98695	4.8
71.01376	1.3
71.05035	6.6
78.57626	1.0
83.05006	3.0
84.13007	1.3
95.05016	3.0
97.02935	3.3
97.06600	18.1
98.20564	1.3
99.00883	70.9
99.08144	1.3
110.03702	1.4
117.07067	4.3
123.04533	7.2
125.09740	1.8
127.11319	5.7
133.02916	1.0
135.04518	2.1
135.08159	12.3
142.02693	1.9
144.00906	1.7
153.09212	65.6
154.09511	2.4
171.10265	20.5
174.03304	1.5
179.03419	1.2
179.07155	10.0
185.06116	7.1
197.08188	60.8
198.08607	1.5
215.01025	9.3
215.07472	4.2
215.09190	100.0
215.10753	6.3
215.12724	3.2
216.09563	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	215.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.1
59.01374	5.2
68.60861	1.3
69.65804	1.0
69.66213	6.7
71.01386	11.5
71.05032	6.9
72.01731	1.6
73.02929	2.1
83.05021	3.2
93.03441	2.0
95.05018	3.6
97.02938	4.3
97.06596	16.3
98.19988	2.3
99.00882	71.5
99.08133	1.8
101.98672	1.1
106.97245	1.3
110.03735	3.1
117.07097	4.8
121.02935	6.4
122.03268	3.0
123.04520	7.0
124.76866	1.0
125.09743	1.1
127.11311	7.1
133.02917	1.6
135.04509	6.3
135.08168	12.6
141.02734	1.1
141.09201	1.8
142.02705	2.3
144.00919	2.3
147.04518	1.8
153.09216	66.9
154.09567	1.7
156.03169	1.4
169.06587	2.7
171.10265	21.2
172.05266	1.3
174.03152	3.0
179.03539	1.4
179.07137	11.2
184.05353	2.0
185.06071	15.0
186.06757	2.1
187.04031	1.3
197.08189	62.3
197.09698	2.9
198.08572	1.8
199.07634	2.3
213.09178	1.2
215.01007	22.7
215.07217	4.9
215.09190	100.0
215.10808	14.2
216.09555	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.6
61.87392	0.4
69.51503	1.0
69.51917	2.3
76.75704	0.4
81.03458	0.7
93.16122	0.4
97.02939	0.9
98.19895	0.9
122.43008	0.4
128.00865	1.0
151.00308	0.7
165.12901	0.5
167.14429	1.3
171.08145	0.5
179.14490	0.4
183.04526	0.7
183.13884	5.8
184.05350	0.6
185.06084	1.2
185.09695	1.4
194.99350	0.9
195.13905	17.7
196.14200	1.0
198.06819	1.0
199.07605	2.3
211.13371	1.5
213.01921	0.8
213.09309	8.1
213.14952	100.0
213.66776	0.4
214.15327	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	214.1085
Annotation	(+)-Monascumic acid
Peak:m/z	Relative Intensity
51.71854	0.6
53.69908	0.6
57.03439	2.1
58.68714	0.7
70.77354	1.0
70.77675	1.1
71.01392	1.2
72.04547	19.3
82.06653	1.3
83.01379	1.5
124.37335	0.7
132.56737	0.7
140.10814	4.7
142.12373	100.0
143.12703	3.2
153.09181	0.9
168.10291	39.7
169.10672	1.1
170.11864	38.1
171.12219	1.4
214.10846	29.2
215.00952	0.7
215.09232	1.4
215.11140	1.0
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	Noraucuparin
Peak:m/z	Relative Intensity
58.19012	1.2
59.01368	5.3
61.98833	1.5
65.00334	1.9
71.01389	2.7
71.50667	2.1
72.99299	2.7
73.02946	1.3
73.18117	1.3
74.36072	1.4
75.00905	1.6
80.96545	1.2
88.04046	1.6
89.02453	2.7
93.03426	2.2
97.06572	1.7
99.00886	1.6
122.89416	9.6
123.08112	1.2
129.40892	1.3
133.12280	1.4
135.04489	6.2
135.08067	1.4
137.02438	1.7
144.00902	10.9
157.06586	48.1
158.03737	5.6
158.07269	2.5
159.04530	4.9
171.02049	2.2
171.04497	4.3
171.10321	1.9
172.00450	1.8
172.05263	5.0
186.03247	5.2
186.06847	14.6
186.89751	6.8
187.04019	2.3
187.07632	21.3
188.07109	1.7
199.04025	1.6
200.04742	1.9
214.06360	7.9
215.00989	78.0
215.03368	3.2
215.07133	100.0
215.09114	5.7
215.12761	2.4
216.01292	2.7
216.06868	2.5
224.63008	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1339
Annotation	Putaminoxin
Peak:m/z	Relative Intensity
51.51175	0.6
59.01379	5.9
69.74991	3.7
71.01395	0.8
72.03370	0.8
83.05019	1.2
88.98571	0.7
95.01369	1.3
123.00842	1.4
133.63220	0.7
137.02434	1.2
149.13385	1.7
163.11267	1.2
167.10796	1.5
167.14365	2.4
171.48755	0.6
175.11270	1.4
181.12344	17.6
183.13887	6.6
192.97887	0.8
193.01488	0.8
193.12331	29.9
194.12547	1.8
211.13382	100.0
212.13702	3.5
217.11813	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1339
Annotation	Putaminoxin
Peak:m/z	Relative Intensity
57.03430	0.9
59.01382	10.8
71.01375	2.9
83.04975	1.2
95.01395	2.7
95.14097	0.9
96.23790	0.7
97.06540	0.9
123.00867	1.7
137.02408	3.6
138.02812	1.0
139.00356	0.8
144.96074	0.8
149.13313	1.0
163.11258	1.3
167.05020	0.9
167.14433	2.0
181.12335	14.1
181.13855	0.8
183.13907	1.9
192.97845	1.4
193.12331	13.2
211.13383	100.0
212.13727	4.0
229.87326	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1496
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
53.56826	0.4
59.01398	0.5
59.29704	0.4
91.21407	0.5
91.95471	0.4
98.20712	1.4
102.01460	0.8
105.92294	0.5
111.59155	0.4
149.13477	0.4
169.06552	0.8
169.12430	0.7
177.12878	0.8
183.13896	28.4
184.14217	1.0
195.13898	24.5
196.14204	1.2
199.07596	0.6
211.13376	0.7
213.09430	2.1
213.14949	100.0
213.88715	2.0
214.15314	4.2
229.83046	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0975
Annotation	(-)-Methylenolactocin
Peak:m/z	Relative Intensity
59.01379	12.7
69.17916	5.9
71.01388	1.0
72.32629	0.6
75.15575	0.5
83.05016	0.7
91.57894	0.6
95.01374	1.0
98.19872	1.4
106.04246	0.8
108.75395	0.6
116.85145	0.7
118.21786	0.6
118.99068	0.6
119.97291	0.7
123.00893	0.6
131.08614	1.3
137.02443	2.5
149.09702	14.3
167.10767	100.0
168.11122	3.0
175.07658	0.9
211.07899	1.0
211.09761	5.2
211.13354	3.9
212.95514	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1339
Annotation	(-)Helicascolide B
Peak:m/z	Relative Intensity
51.85357	2.4
53.74691	2.2
57.03449	54.3
69.03457	79.9
69.36207	21.4
70.34403	2.6
71.05022	38.8
75.01137	2.4
85.06606	16.4
89.11681	3.0
95.01417	3.6
100.58140	2.9
102.35477	2.8
109.02914	2.9
123.08186	8.1
137.02470	17.8
138.02797	2.7
139.11282	50.7
141.09222	19.6
151.11287	22.0
167.14407	21.1
176.52161	2.6
193.12329	4.0
200.04764	5.4
211.13390	100.0
212.13705	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	211.134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	0.5
59.01360	1.3
61.98825	0.8
65.00327	0.4
67.01888	0.5
68.99806	0.6
69.03457	1.1
71.01379	0.4
71.52534	0.5
81.03528	0.4
83.05056	0.5
92.99827	0.6
95.01392	2.8
96.96011	0.9
113.03628	0.4
121.02937	1.0
123.00865	1.5
124.04031	0.5
125.02410	0.4
125.04388	0.6
137.02437	2.7
137.09656	0.4
139.00333	0.9
148.01645	0.4
149.09579	0.5
163.04044	0.5
164.98210	0.5
165.12892	0.6
166.99886	0.7
167.10730	1.3
167.14375	2.9
175.55046	0.5
181.12268	0.5
183.13884	14.3
192.24274	0.4
192.97731	1.0
193.01274	0.5
193.12321	4.0
210.98778	0.7
211.13380	100.0
212.13713	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	211.134
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
69.03445	0.6
69.21353	3.3
69.21766	0.7
83.97919	0.4
95.01386	1.1
96.99972	0.4
123.00831	0.6
148.37460	0.4
149.44490	0.4
165.12823	0.5
167.10817	0.9
167.14384	1.5
183.13885	14.5
184.14262	0.5
193.12326	3.6
194.91124	0.4
211.13385	100.0
212.13751	3.9
212.85277	0.4
220.94328	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0248
Annotation	3-(2-Carboxyethenyl)-cis,cis-muconate
Peak:m/z	Relative Intensity
54.52997	0.5
55.01846	0.6
59.70883	0.5
65.00324	15.2
68.99791	0.8
69.03432	2.2
70.83982	0.8
70.84299	0.6
71.01369	0.7
71.04997	1.2
74.14189	0.5
77.03952	0.9
79.01868	1.4
79.16814	0.5
81.03458	9.5
83.00928	0.5
83.01378	6.1
85.82945	0.5
93.03434	1.3
95.01360	2.2
95.05050	3.5
95.52378	0.4
97.02951	10.7
99.04510	5.7
103.99697	0.5
105.03461	3.8
107.01383	6.3
109.02948	0.6
111.17420	0.5
121.02954	9.7
123.00894	4.9
123.04498	1.9
124.01645	1.6
125.02448	23.3
135.04482	0.8
137.02437	17.8
139.04001	3.2
145.47621	0.5
149.02438	15.0
151.00340	1.0
151.03940	1.1
152.01143	0.6
152.03534	1.0
152.04790	20.9
153.05130	0.5
163.10831	0.5
164.01140	1.4
165.01942	13.2
167.03442	1.9
167.07124	4.4
177.01871	0.7
193.01408	100.0
194.01758	3.3
196.03746	3.4
211.02477	51.0
211.06049	4.8
212.02765	1.6
225.87517	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15531	0.6
57.03452	2.9
57.60438	0.6
59.01379	100.0
59.95497	0.5
69.41108	3.6
80.02711	0.7
81.03483	0.9
95.05067	0.8
96.96015	1.3
97.06586	3.6
105.03461	5.1
109.02944	2.1
109.06573	3.4
121.02960	9.8
121.76850	0.6
126.95829	0.7
129.37518	0.6
133.02971	2.5
136.23575	0.5
148.01648	0.7
149.02483	1.4
165.12822	4.9
177.01915	4.3
188.63570	0.6
209.04564	2.4
209.08617	2.5
209.11838	15.8
210.12042	0.9
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	Unknow
Peak:m/z	Relative Intensity
54.15531	0.6
57.03452	2.9
57.60438	0.6
59.01379	100.0
59.95497	0.5
69.41108	3.6
80.02711	0.7
81.03483	0.9
95.05067	0.8
96.96015	1.3
97.06586	3.6
105.03461	5.1
109.02944	2.1
109.06573	3.4
121.02960	9.8
121.76850	0.6
126.95829	0.7
129.37518	0.6
133.02971	2.5
136.23575	0.5
148.01648	0.7
149.02483	1.4
165.12822	4.9
177.01915	4.3
188.63570	0.6
209.04564	2.4
209.08617	2.5
209.11838	15.8
210.12042	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.949
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57763	0.1
61.98830	100.0
62.98523	0.2
70.72189	0.2
109.86011	0.1
124.04061	0.4
137.94586	0.1
150.04561	0.1
156.23311	0.1
163.95575	0.3
164.96375	0.4
166.91081	0.2
173.95221	0.1
195.94386	0.1
209.94897	30.3
210.94983	1.4
210.96912	0.2
211.13249	0.1
211.90140	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	209.1183
Annotation	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
55.01880	2.4
57.03444	2.2
59.01384	2.0
61.98830	12.2
65.00336	2.3
66.01109	0.7
69.03461	1.3
71.01402	1.2
75.70182	0.7
77.03967	1.4
78.81773	0.7
80.02676	0.7
81.03455	5.6
83.01390	28.8
83.05020	4.2
84.02184	1.4
89.03976	1.1
89.95145	0.6
90.44837	0.6
91.01911	1.7
91.92118	0.7
92.05779	0.7
92.99827	4.5
93.03472	2.2
94.02982	1.5
95.01395	1.2
95.05013	1.5
97.02932	1.0
97.06586	4.9
98.20699	0.9
105.03455	5.6
108.02216	0.9
109.02966	2.8
109.06602	0.8
120.02161	1.5
121.02957	100.0
122.03313	2.2
123.00831	0.9
123.08152	2.1
124.04021	3.8
125.09724	24.8
129.49562	0.7
133.02965	3.9
135.08110	1.6
136.01717	1.0
136.98799	1.8
137.02451	1.9
137.06047	0.9
147.11795	2.3
148.01727	1.1
149.02443	3.0
151.04044	0.8
151.11235	1.3
161.09593	0.9
163.11288	9.5
164.98236	3.6
165.05640	1.4
165.09213	0.8
165.12846	3.8
177.01965	7.8
179.03505	1.7
181.12335	2.7
185.69304	0.7
190.99829	1.1
191.10771	7.5
194.02090	1.3
194.05940	0.9
199.21747	0.8
208.93149	0.9
209.00890	2.4
209.04541	15.6
209.11819	90.1
209.94850	3.3
210.12054	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1183
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
57.03449	5.2
58.00600	0.8
59.01384	4.5
61.98830	9.7
65.00320	2.1
67.01878	0.7
69.03447	1.9
70.54810	0.7
71.01376	11.4
71.05032	1.1
71.51514	1.0
73.02953	1.6
80.02657	1.4
81.03484	1.9
81.89714	0.7
83.01391	1.7
83.05014	3.4
83.48302	0.7
84.02184	1.1
85.02930	0.9
89.03965	1.3
89.75003	0.6
91.01890	1.7
92.99822	4.2
93.03465	4.0
94.02988	1.6
95.01395	1.8
95.05035	3.8
97.02977	0.8
97.06604	1.8
99.35857	0.8
105.03454	7.6
106.04185	0.7
107.05053	1.2
108.02157	1.5
109.02979	2.0
109.06639	1.1
111.08154	2.7
112.01680	1.0
120.02184	1.6
121.02957	100.0
122.03312	1.3
123.00895	1.0
123.04491	1.0
123.08150	1.1
124.04037	3.8
125.09686	4.5
127.45049	0.7
133.02966	5.3
134.03770	1.0
135.08121	1.4
136.01695	1.5
136.98819	2.9
137.02420	2.1
145.10249	1.5
147.11777	2.2
148.01660	2.0
149.02490	3.8
151.11282	19.9
153.09265	0.8
153.12825	1.2
161.02420	0.9
163.11322	6.4
164.94083	1.1
164.98311	3.6
165.01955	2.0
165.09229	1.0
165.12859	16.5
167.10712	1.4
173.09705	1.8
177.01944	8.5
179.03511	1.6
179.10770	5.0
181.12350	22.0
182.12762	0.8
190.99866	1.4
191.10799	10.0
192.11174	0.8
194.02187	0.9
194.05939	1.4
209.00925	2.1
209.04562	15.5
209.11832	59.4
209.15347	2.3
209.94888	2.3
210.12181	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	209.0454
Annotation	Clavatoic acid
Peak:m/z	Relative Intensity
51.12513	2.1
59.01380	16.8
70.00266	4.1
70.00657	5.6
75.84919	2.3
75.91415	2.2
78.26527	2.5
78.80129	1.9
82.46105	2.3
93.03454	11.7
105.03467	11.6
109.02977	4.3
119.05038	4.4
121.02933	2.3
121.06541	13.7
123.04490	2.4
133.02919	9.9
139.04079	2.6
148.01657	3.8
149.02431	3.2
165.05566	100.0
166.05916	4.2
177.01894	20.8
185.10681	1.9
209.04538	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	209.0456
Annotation	Methyl haematommate
Peak:m/z	Relative Intensity
70.49257	3.6
77.03965	3.1
81.03454	6.0
87.13429	1.0
89.03973	14.7
93.03448	2.8
93.14439	1.1
95.05035	5.1
105.03461	62.6
106.03792	1.3
107.01385	2.9
108.02178	3.2
109.02238	1.7
109.02953	24.1
110.00118	5.7
121.02951	15.0
123.04500	6.0
123.09145	1.1
133.02963	53.9
148.01677	11.9
149.02443	25.3
150.03174	3.4
159.31612	1.1
177.01935	100.0
178.02289	2.5
209.04549	28.8
210.04796	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0455
Annotation	Methyl haematommate
Peak:m/z	Relative Intensity
51.53455	0.5
51.79065	0.6
57.03440	3.1
59.01352	0.8
62.11005	0.7
67.01877	0.7
69.10555	0.7
69.33945	1.9
69.34372	3.4
71.01382	0.7
71.05019	1.0
71.87179	0.5
73.02946	1.0
74.74654	0.6
77.03965	4.2
77.23493	0.6
79.01888	0.8
81.03465	5.9
82.33125	0.5
89.03974	9.1
93.03464	2.1
95.01397	0.8
95.05022	4.4
105.03462	100.0
106.03800	2.2
107.01400	2.1
108.02165	5.7
109.02953	25.8
110.03345	0.8
111.00879	0.8
121.02954	15.3
123.04551	3.5
123.08222	0.6
125.12524	0.6
133.02957	53.4
134.03288	0.7
136.01712	1.3
137.02449	16.4
148.01678	21.0
149.02443	42.7
150.02965	1.3
165.05605	0.7
165.12869	1.4
176.01170	0.8
177.01929	87.0
178.02359	2.0
181.05171	1.0
191.14418	0.8
209.04549	26.6
209.15471	4.6
210.05190	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0091
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67540	0.5
61.91126	0.4
65.03976	0.6
68.99805	0.7
69.03471	1.1
69.17663	4.5
69.18070	1.2
75.02424	1.0
76.72285	0.5
77.03958	1.8
79.01894	1.1
83.01382	1.6
89.03963	1.3
91.01856	0.5
93.03454	3.5
95.01389	3.2
97.02962	3.7
99.79150	0.5
105.03462	7.7
108.02160	0.8
109.02943	6.1
119.01389	1.9
121.02951	18.8
123.00838	1.2
133.02950	4.8
135.00880	3.4
137.02441	29.5
138.02759	0.6
147.00868	1.4
148.01671	1.9
149.02449	4.2
163.00365	26.7
165.01924	32.4
166.02298	1.2
177.01910	8.5
190.99849	100.0
192.00169	4.3
209.00899	66.5
209.04482	4.1
209.11884	0.7
210.01260	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	209.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00311	0.9
65.03947	1.0
69.19995	8.8
77.03970	4.1
79.01900	1.2
81.03450	5.6
89.03966	9.5
93.03453	2.0
95.01413	1.0
95.05013	4.3
97.02985	1.0
105.03461	100.0
106.03816	1.7
107.01390	1.8
108.02161	5.8
109.02958	28.1
110.00088	0.9
111.00835	0.9
121.02948	19.9
123.04530	3.5
133.02960	51.1
134.03299	1.1
136.01665	2.3
137.02444	6.9
148.01660	22.2
149.02438	41.1
150.03149	1.5
156.27055	0.8
177.01930	88.8
178.02222	2.1
181.05020	1.1
202.74091	0.8
209.04549	28.3
209.11832	1.6
210.05177	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0455
Annotation	Clavatoic acid
Peak:m/z	Relative Intensity
53.62047	1.4
59.01379	14.3
67.30529	1.3
70.25967	4.7
71.01385	2.7
71.35787	1.7
75.00864	4.9
83.55924	1.7
84.97929	1.5
85.02931	4.5
86.41585	1.6
87.00879	2.4
91.05474	1.8
93.03471	14.1
98.19995	2.1
105.03456	5.6
107.05063	1.7
112.98821	1.9
119.05033	2.0
121.02886	2.7
121.06596	17.4
133.02940	4.9
142.99857	10.7
149.02394	2.7
150.03242	1.7
165.05571	100.0
166.05836	2.0
177.01894	5.6
190.99884	1.7
191.05460	1.6
209.01010	1.6
209.04611	8.5
209.06458	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	207.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.1
59.01110	2.2
59.01381	32.9
69.03457	72.9
71.01392	2.1
71.15374	2.6
83.05020	3.8
91.05524	3.6
93.03443	7.3
95.05031	18.3
101.84884	1.8
105.07103	1.7
106.04242	4.0
107.05038	4.4
107.08684	15.8
108.05795	5.2
108.64647	1.7
109.06599	10.1
117.07121	3.4
119.05007	4.9
121.06607	12.6
133.06560	2.4
134.07350	6.6
135.00751	1.9
135.04530	2.3
135.08182	13.0
136.78790	1.6
144.64714	1.9
145.09184	2.2
145.10228	26.6
149.02469	2.5
161.09633	7.2
163.00371	3.4
163.07600	2.8
163.11288	100.0
164.11600	2.6
177.01938	10.0
179.10741	3.7
189.09167	5.2
189.10907	1.8
192.04289	11.0
207.01118	2.9
207.02956	4.6
207.06621	4.7
207.10258	27.6
207.14058	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62584	2.2
58.40001	2.4
59.01376	41.6
69.03452	78.7
71.01373	3.2
83.05006	5.4
83.10729	2.3
86.69595	2.4
91.01862	4.6
93.03455	8.7
94.02066	2.2
95.05022	25.1
97.06561	3.0
98.20671	5.2
106.04243	5.4
107.05017	3.6
107.08660	16.6
108.05796	6.4
109.06573	13.6
117.07050	4.6
119.05000	2.3
121.03002	3.0
121.06570	12.8
123.04538	3.9
124.31981	2.1
133.06554	2.2
134.07378	6.9
135.00934	2.9
135.04460	3.3
135.08171	10.7
137.09764	2.9
143.08687	2.5
145.10242	27.3
149.02443	3.2
151.15335	2.4
161.09579	4.2
163.00319	3.6
163.04037	3.7
163.07623	3.3
163.11287	100.0
177.01900	25.7
179.03549	3.2
179.10703	8.3
189.09270	4.6
192.04260	29.7
203.40845	2.4
206.99350	3.9
207.02861	10.6
207.06633	8.4
207.10245	34.1
207.13786	3.6
229.07076	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	206.9743
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06020	0.1
59.01369	0.2
61.98829	100.0
62.98545	0.1
71.50150	0.1
76.44178	0.1
89.17730	0.1
149.02419	0.2
151.49986	0.1
162.98473	1.4
164.96387	0.2
177.01900	1.0
192.04265	1.0
206.97440	7.3
207.06653	0.3
207.97580	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0121
Annotation	2-Naphthalenesulfonic acid
Peak:m/z	Relative Intensity
59.01385	4.5
66.37365	0.3
68.15024	0.4
69.55348	1.5
69.55771	1.0
72.99311	0.5
79.95732	22.9
89.04082	0.3
89.20347	0.3
95.04960	0.4
98.20671	0.6
119.04969	0.8
135.04543	0.7
143.05025	33.7
144.05367	1.3
147.04504	4.5
165.05547	4.0
168.40553	0.4
177.01897	0.7
192.04266	1.0
207.01202	100.0
208.01506	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	207.0662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	86.8
69.44197	3.7
69.44617	6.8
72.99323	9.5
75.89127	1.4
76.91236	1.4
79.95739	4.5
84.48369	1.4
96.08037	1.5
98.19959	3.3
103.05519	3.2
119.05020	14.5
120.05408	7.0
121.02952	2.0
135.00880	1.8
135.04575	2.7
137.37567	1.3
143.04993	6.1
147.04524	100.0
148.01575	3.3
149.02475	2.4
163.00327	1.7
163.03935	2.9
163.07620	3.2
164.04320	1.7
165.05571	83.8
177.01941	8.2
179.03487	1.6
192.04257	7.3
205.67735	1.4
206.99358	2.3
207.01167	21.1
207.02911	3.0
207.04759	1.6
207.06619	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	205.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.9
71.01363	1.1
71.52586	0.7
72.99283	0.5
77.18675	0.3
97.72856	0.3
108.02209	1.9
115.00365	1.1
121.02970	0.7
122.02903	0.7
122.03737	9.5
124.01602	0.5
124.03313	0.4
133.02962	0.5
135.04495	0.5
136.01640	0.6
137.02417	0.7
146.03622	0.4
147.04512	8.7
148.05319	3.4
149.06061	1.9
154.02731	1.2
161.06071	1.7
175.03996	22.2
176.04778	100.0
176.53436	0.4
177.05144	3.0
177.09158	4.9
187.07631	1.1
199.72812	0.4
205.08690	35.5
205.15921	2.3
206.08995	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1596
Annotation	(E,E)-4,4,8-Trimethyl-2,8-cycloundecadien-1-one
Peak:m/z	Relative Intensity
59.01376	0.3
61.98800	0.1
62.02226	0.1
71.01382	0.2
72.99306	0.1
73.02945	0.1
73.31040	0.1
75.00882	0.1
87.00845	0.2
95.89321	0.1
115.00377	0.2
117.03515	0.1
124.71036	0.1
132.65155	0.1
133.02913	0.1
149.09680	0.1
161.06129	0.1
162.89331	0.3
189.12856	1.8
205.15964	100.0
206.16304	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	206.0822
Annotation	N-Acetyl-L-phenylalanine
Peak:m/z	Relative Intensity
53.21283	0.6
55.26273	0.6
58.02978	36.0
68.27207	0.7
69.58552	0.8
69.58845	2.4
69.59253	1.8
70.02979	12.9
72.00917	5.2
91.05539	14.5
103.05550	2.1
119.05016	1.0
135.04483	1.5
147.04526	40.1
148.04858	2.0
162.09271	1.5
164.07166	100.0
165.07512	2.7
206.08223	34.5
216.81258	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0869
Annotation	Vibralactone C
Peak:m/z	Relative Intensity
51.10776	0.4
55.77897	0.4
59.01364	0.9
69.79604	2.0
69.80013	0.7
107.04993	0.4
108.02168	2.3
115.00341	0.9
119.05048	1.4
121.02950	0.8
122.03737	37.6
123.00864	1.5
124.01644	4.1
133.02946	0.9
134.03741	1.3
136.01651	13.9
137.02432	0.6
148.01646	0.5
148.05298	13.2
150.03241	1.6
159.06563	0.5
177.09206	100.0
178.09579	3.3
187.07568	0.8
205.08691	19.7
205.12366	2.1
205.15993	0.7
206.09299	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0869
Annotation	Vibralactone C
Peak:m/z	Relative Intensity
59.01377	0.5
69.40898	2.0
70.80286	0.3
71.01388	0.4
82.21867	0.2
86.24059	0.3
87.00871	0.3
103.91448	0.3
106.00631	0.4
108.02174	2.6
109.02954	0.3
115.00404	0.5
121.03027	0.4
122.03742	35.8
123.00854	1.2
123.04007	0.4
124.01667	4.5
133.02994	0.8
134.03763	1.0
135.04520	1.0
136.01663	14.7
148.05305	11.5
150.03230	1.5
159.08134	0.3
161.06065	0.6
172.05357	0.4
175.07645	0.4
177.09204	100.0
178.09557	3.8
187.07658	0.6
205.08694	19.7
205.15933	0.4
206.09109	0.6
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
55.01865	2.7
57.03443	4.7
58.00579	1.8
59.01379	26.3
61.98818	4.6
65.00315	1.6
67.01879	2.3
67.15903	1.5
68.99807	4.4
69.55770	4.4
69.56194	4.2
71.01382	29.5
71.05049	1.5
72.99303	18.4
73.02934	4.0
75.00874	12.8
83.01386	6.9
84.02171	100.0
85.02507	1.7
85.02962	5.5
85.06574	2.3
87.00883	14.2
89.02457	4.5
95.01441	1.3
97.06595	5.9
99.00886	17.7
99.04523	40.4
100.98768	1.4
101.02451	4.3
103.03946	1.3
111.00905	10.9
112.98813	30.0
115.00383	23.1
115.07595	1.5
115.77856	1.3
117.01920	5.2
124.98782	3.8
125.02445	13.9
125.06055	2.1
127.00372	4.7
128.01154	7.1
129.01971	7.0
133.01385	2.3
142.98875	1.3
142.99789	7.2
143.03502	4.4
143.07118	9.2
145.01410	5.0
154.99893	2.5
159.06635	2.4
161.06114	2.0
169.01410	1.4
173.00934	1.6
175.02443	2.3
183.53093	1.3
187.02394	1.5
187.06180	6.2
196.67548	1.5
205.03520	7.3
205.07198	10.7
205.15926	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	203.9999
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87114	0.1
56.64306	0.1
56.65136	0.2
59.01378	3.3
60.01719	1.5
61.01803	0.4
61.98830	100.0
69.86245	0.7
80.91669	0.3
92.06294	0.1
98.20615	0.1
107.17956	0.1
110.67177	0.1
110.67941	0.1
112.31042	0.1
124.04893	0.1
192.44197	0.1
204.00014	0.6
204.02771	0.5
205.15945	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.9996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14180	0.1
59.01381	3.9
60.01717	1.9
61.01810	0.5
61.98832	100.0
70.98525	0.2
92.91356	0.1
130.15352	0.1
204.00009	0.6
204.02606	0.6
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
50.73496	0.5
52.00864	0.5
55.01885	0.7
57.03448	1.4
58.00580	0.8
59.01385	7.3
65.00326	0.8
68.99797	0.9
71.01385	8.4
71.29993	0.7
72.99309	3.7
73.02944	2.6
75.00874	2.6
81.03456	1.3
81.73293	0.5
83.01379	1.7
83.05038	0.8
84.02169	100.0
85.02508	1.8
85.02966	1.0
85.06610	0.8
87.00883	5.2
89.02433	1.4
97.06603	1.7
99.00886	3.9
99.04522	34.0
100.04841	0.7
101.02441	2.2
101.99642	0.7
103.00375	0.7
111.00896	5.6
112.98802	3.6
115.00360	7.8
117.01917	1.1
124.98802	1.0
125.02454	6.9
127.00408	0.7
128.01170	5.0
129.01970	1.8
142.99878	1.6
143.03494	4.1
143.07159	2.1
145.01483	1.6
145.88512	0.6
154.99884	1.3
169.01454	1.3
187.02550	1.4
187.06154	1.7
205.03545	4.7
205.07146	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	203.0827
Annotation	Tryptophan
Peak:m/z	Relative Intensity
50.50789	0.8
69.03491	0.8
69.84380	2.3
69.84798	2.3
71.01374	1.3
72.00912	27.5
74.02476	34.3
75.17524	0.9
97.02936	2.2
101.09302	0.9
105.35304	0.9
116.05068	100.0
117.05397	1.7
130.06633	3.0
139.12000	1.0
142.06635	24.3
142.07744	1.2
143.69901	0.9
157.07767	1.1
159.09277	20.9
160.91634	0.9
161.04834	1.1
164.30394	0.8
186.05600	3.4
203.01909	2.2
203.08261	60.9
204.08640	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	203.1287
Annotation	(3E)-3,7-Dimethyl-3-octene-1,2,6,7-tetrol
Peak:m/z	Relative Intensity
50.70301	0.3
50.90774	0.3
51.86141	0.3
57.03426	0.4
59.01382	2.1
69.03445	0.7
69.11981	0.3
71.01388	1.3
71.51387	0.6
72.99320	0.5
75.00883	0.3
80.91701	0.5
82.33535	0.4
92.16467	0.4
97.02942	0.9
99.08157	0.6
103.92049	0.8
104.97755	0.6
113.02465	0.5
125.09724	1.0
127.11285	14.9
131.05054	0.7
139.11298	0.9
146.03726	0.7
150.80704	0.3
155.10773	8.4
157.12332	52.7
158.12679	1.1
159.04520	3.1
159.08177	0.4
160.89297	0.5
173.06059	0.5
174.03207	1.5
175.04068	0.7
175.07625	2.1
185.11810	1.0
188.04694	0.4
201.11313	1.0
202.06140	0.5
203.01868	0.6
203.03477	1.4
203.07317	2.0
203.12862	100.0
204.13132	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	203.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.39818	2.6
67.36617	2.7
69.03453	14.7
69.63160	4.4
69.63570	12.5
71.01384	56.9
72.99302	2.9
73.02948	5.0
80.91687	8.1
81.03437	3.9
83.01388	4.4
85.02946	13.6
97.02927	13.3
99.00877	8.2
103.92018	24.2
104.97741	24.2
107.47178	3.2
113.02451	17.6
115.05510	3.5
125.02433	6.3
130.04243	4.4
130.94402	6.7
131.05061	40.8
146.03740	12.4
147.04472	2.8
148.95413	7.9
159.04507	51.2
159.06584	3.3
159.08078	3.8
160.89261	8.0
173.06067	5.2
174.03218	33.8
174.06717	11.3
175.03891	13.7
175.07608	13.9
187.07640	4.9
188.04482	6.3
202.94231	17.4
203.03505	35.4
203.05435	5.4
203.07127	43.6
203.10797	38.1
203.12683	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	201.0255
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00832	0.4
59.01378	100.0
60.19838	0.4
61.98833	3.2
65.63389	0.4
71.01382	3.3
75.34311	0.4
78.25760	0.5
78.91872	0.4
87.00883	1.1
87.04556	0.4
88.04056	1.8
90.30752	0.5
97.06616	0.5
99.04614	0.5
99.05629	2.1
100.04073	1.5
101.00953	0.6
115.04121	0.4
115.08766	1.1
117.00471	1.0
120.97937	0.4
129.06747	0.4
130.39909	0.4
131.03856	0.5
140.07205	0.9
141.28806	0.4
155.86644	0.4
157.03542	5.8
158.99730	0.7
159.01480	2.8
175.02797	4.9
176.00545	2.5
201.00797	1.8
201.02519	12.5
201.05591	0.8
201.08954	1.9
201.98468	0.8
202.02740	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00328	0.7
54.17495	0.5
57.03455	0.8
58.50321	0.5
59.01368	1.8
62.05797	0.5
65.62360	0.5
67.92122	0.5
71.01382	100.0
71.51690	0.8
78.91904	0.7
87.04532	1.0
95.12772	0.5
97.06612	0.8
102.05322	0.6
130.04218	1.2
130.86066	0.7
139.11259	1.1
159.04462	0.9
172.05331	1.7
173.06096	2.0
181.48021	0.6
187.07683	0.9
201.05586	3.0
201.07538	0.9
201.09221	5.2
201.11327	7.8
210.05270	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0197
Annotation	Oxaloglutarate
Peak:m/z	Relative Intensity
50.69390	0.8
51.02379	1.3
55.01874	1.2
57.03448	5.3
59.01379	10.8
60.99297	1.9
67.01883	2.7
67.70609	0.9
69.03455	76.7
70.91269	1.3
70.91604	1.5
71.01382	54.3
72.99311	16.5
73.02937	1.3
75.00877	5.2
79.01891	24.3
83.01385	4.1
83.05009	1.0
85.02952	11.5
85.06599	6.0
87.00874	14.7
88.04037	1.0
95.01391	7.8
95.05023	3.2
97.02950	100.0
97.06597	3.6
98.03273	1.3
99.00887	2.8
101.02441	1.4
103.92005	0.9
111.00871	4.0
112.21465	0.8
113.02439	12.7
113.06080	3.5
115.00385	9.1
115.04010	1.5
115.07629	3.1
123.00883	4.9
123.04507	7.7
125.02397	1.2
129.01942	5.2
129.05591	1.2
141.01936	20.6
141.05576	7.6
143.07143	3.3
159.02971	2.6
159.04483	1.5
159.06630	4.3
161.08211	8.2
185.04558	6.5
203.01968	94.2
203.05521	14.9
204.02277	2.5
204.06616	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.0
57.03446	28.7
59.01379	32.8
60.99292	2.1
61.98840	7.5
67.01889	2.6
69.03458	61.4
71.01384	50.9
71.05041	3.3
71.50719	1.8
72.99310	17.4
73.02932	3.8
74.02476	5.8
75.00870	7.1
79.01894	10.9
80.91685	2.7
81.03472	2.7
82.83855	1.4
83.01386	5.3
83.05035	5.9
84.02171	6.2
85.02958	10.5
85.06590	100.0
86.06912	1.8
87.00882	15.1
87.01345	2.5
87.04508	2.9
87.08135	2.6
89.30489	1.7
92.96068	1.9
95.01377	7.7
95.05036	16.6
97.02953	76.4
97.06597	32.6
98.03285	1.8
99.00891	3.7
101.02465	5.0
103.92052	10.6
104.97762	3.1
111.00885	3.2
111.04527	5.5
113.02448	15.9
113.06086	42.2
115.00373	7.0
115.04033	3.4
115.07657	22.0
120.04613	1.7
121.02904	2.4
123.00895	2.9
123.04533	24.0
129.01941	4.1
129.05606	5.4
130.94353	2.2
131.03606	1.6
131.05026	3.6
131.07121	3.6
139.03992	3.7
141.01953	16.9
141.05588	36.7
146.03722	1.8
146.93791	2.0
148.95403	4.1
157.04875	2.3
159.03290	2.4
159.04623	8.1
159.06627	51.7
160.04030	2.7
160.89250	4.9
161.08244	1.7
174.03183	2.9
174.05556	3.1
174.99287	2.0
175.03984	4.2
175.07637	3.9
176.07159	15.3
185.04559	27.1
188.04698	1.9
202.94350	3.5
203.00423	1.9
203.01974	70.1
203.03535	8.7
203.05606	70.8
203.07217	5.7
203.09186	5.0
203.10822	5.4
203.12709	2.0
204.06680	20.3
210.13152	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0975
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
50.87403	0.6
57.03447	1.4
57.34195	0.7
59.01379	8.2
60.96375	0.6
67.01868	0.7
69.03454	0.9
71.12376	1.4
77.86146	0.7
81.03463	3.4
83.01353	0.6
83.05022	24.5
84.05353	0.8
93.80076	0.6
98.73577	0.7
109.06611	2.7
111.00893	1.5
119.08630	0.9
126.77159	0.7
135.08168	2.7
137.09720	38.1
139.07539	0.6
155.10774	100.0
156.11092	1.9
181.08698	17.5
199.09738	63.5
199.13438	2.3
199.17110	1.0
200.10042	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0928
Annotation	L-Dihydroanticapsin
Peak:m/z	Relative Intensity
53.89623	0.5
55.01881	1.1
57.03450	2.6
59.01382	1.9
61.98834	2.0
70.97931	1.2
72.04544	10.3
82.02997	0.7
83.01395	2.0
84.04547	0.6
85.49999	0.5
102.70007	0.6
111.73943	0.5
116.07159	2.2
117.59384	0.5
120.97425	0.6
126.09230	5.2
128.03546	0.8
128.10817	100.0
128.70810	0.5
129.11165	1.7
133.73271	0.5
134.03668	0.6
138.09106	0.5
154.08736	33.2
156.08211	1.4
156.10291	35.4
157.10651	0.9
162.83960	1.2
164.83556	1.4
172.05371	0.8
183.11356	2.1
199.80467	1.3
200.07458	0.8
200.09267	23.0
200.17331	0.8
201.05649	0.6
201.07593	0.6
201.09315	1.3
201.12436	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01688	0.5
69.83092	0.7
69.83494	1.0
82.72441	0.3
88.79039	0.3
110.13065	0.3
113.04582	0.5
115.00015	0.3
123.78340	0.3
157.03554	6.2
159.01482	1.4
201.02550	11.2
202.02750	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1183
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
50.40513	0.5
59.01375	1.9
59.95007	0.5
61.98800	0.7
67.61588	0.5
69.03455	1.0
69.17287	1.0
69.17683	5.5
76.85415	0.6
78.54713	0.5
84.69185	0.6
90.63190	0.6
95.01386	0.6
97.06606	0.7
109.02962	0.9
112.01647	0.7
121.02924	0.6
123.00905	1.6
126.90489	1.5
137.02385	0.6
141.09247	0.6
150.29565	0.5
151.11320	1.0
153.09178	1.8
153.12856	4.0
160.54732	0.5
160.84212	2.8
162.83905	7.9
166.99820	1.0
167.10719	0.7
169.12340	16.5
178.99895	0.9
179.03487	0.7
179.10791	2.7
182.02213	1.8
182.93127	0.5
197.04576	1.4
197.11835	100.0
197.80870	2.3
197.91016	1.9
198.12181	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	199.0612
Annotation	3-[(1R,2S,5R,6S)-5-Hydroxy-7-oxabicyclo[4.1.0]heptan-2-yl]-2-oxopropanoate
Peak:m/z	Relative Intensity
51.46796	0.8
55.01876	11.0
57.03445	1.3
59.01361	3.5
59.87684	0.8
61.98825	1.9
65.00319	1.2
67.01889	35.2
69.03455	1.4
69.98852	4.4
71.01370	1.7
71.04993	1.3
81.03437	1.3
83.01394	2.0
83.05008	3.7
85.02943	1.4
87.00897	1.4
92.99815	2.5
93.03408	1.1
93.07045	1.1
95.05024	1.9
98.20007	1.1
109.02983	1.2
109.06586	1.7
111.00878	32.6
111.08160	100.0
112.08489	2.7
113.02431	2.1
116.07173	8.3
119.05015	6.3
122.03750	5.6
123.04538	1.0
125.06084	27.3
125.07013	1.4
127.04007	2.2
136.98782	2.1
137.06090	31.6
137.09673	1.0
139.04030	2.2
154.99876	9.2
155.07138	16.6
155.10768	2.3
156.89455	2.9
162.83955	2.2
164.83609	2.3
171.04555	1.0
171.08153	1.2
180.97781	1.5
181.05074	7.9
184.05211	1.3
198.98657	3.2
199.04028	2.4
199.06088	11.8
199.07664	1.7
199.09544	4.4
199.13318	3.8
199.17009	8.0
199.80550	1.8
200.09215	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1182
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
59.01372	0.8
61.98822	0.9
65.00319	0.9
69.03460	1.0
69.23945	3.3
71.05033	1.0
76.61945	0.3
83.05018	0.5
84.27200	0.3
88.77437	0.3
95.01397	0.9
95.05026	0.5
97.06590	13.9
99.08144	3.6
108.99279	0.4
109.02964	1.2
109.06614	0.7
111.00921	0.5
111.08185	0.4
116.92850	0.7
121.02908	0.9
122.03785	1.9
123.00874	1.8
123.04540	0.6
125.02442	1.3
125.09738	0.8
126.03206	1.3
126.90501	2.1
137.02435	0.8
137.09702	1.8
151.00429	0.4
151.11340	1.0
153.01921	1.0
153.05626	0.7
153.12845	100.0
154.13179	2.9
160.84219	3.3
162.82893	0.3
162.83910	9.9
166.99925	1.7
178.99840	1.0
179.10770	22.8
180.11075	0.9
182.02219	3.3
197.02220	0.8
197.04538	1.7
197.08165	0.5
197.09972	0.8
197.11807	9.0
197.15465	0.4
197.80780	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	197.1183
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
59.01377	29.8
69.03460	1.6
69.74208	3.9
71.01379	5.4
81.03478	1.0
83.05024	2.7
87.65761	0.9
90.00466	0.8
95.05057	0.9
106.79035	0.7
107.08662	2.6
119.05019	1.1
121.10194	2.3
123.08125	1.2
125.09597	0.9
126.38715	0.8
126.90511	1.2
133.10211	0.8
135.11823	8.1
149.09717	10.9
150.10043	0.8
151.11259	1.0
153.09201	1.0
153.12852	2.1
160.84236	0.9
161.09705	1.4
162.83955	1.6
166.99908	1.1
167.10770	59.9
168.11090	2.1
169.12306	3.6
178.99873	1.3
179.10783	32.5
182.02229	0.8
197.11826	100.0
197.80763	0.9
198.12209	3.2
204.90144	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53551	1.2
54.56948	1.4
56.61756	1.1
59.01378	25.3
66.66479	1.1
69.03447	2.5
69.16805	4.3
69.17227	7.9
71.01372	2.0
83.05053	2.8
95.01384	1.5
98.19888	2.7
107.08694	1.7
109.02939	1.5
121.10249	1.6
123.00871	4.3
125.02454	1.7
126.90514	2.3
135.08154	1.4
135.11781	7.6
149.09714	4.9
153.01848	1.6
153.05479	1.5
153.09145	2.0
153.12857	3.6
161.09702	1.4
162.83899	5.8
166.99864	2.3
167.10774	36.2
168.11057	1.5
169.12305	5.7
178.99834	2.8
179.10776	34.6
182.02167	6.4
197.04544	3.8
197.11818	100.0
197.80798	3.4
198.12187	3.3
215.42302	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1182
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
59.01366	1.4
60.74905	0.4
61.98817	1.8
65.00317	0.9
67.01884	0.4
69.03453	2.1
70.22605	0.4
71.01406	0.6
71.41393	0.8
73.08691	0.4
78.95912	0.7
81.03463	0.5
83.05016	0.9
85.58758	0.4
95.01382	0.8
96.96001	0.5
97.02946	0.6
97.06570	0.9
109.02961	1.6
109.06605	0.5
112.01684	0.7
115.45173	0.4
116.92839	1.4
121.02967	0.7
123.00872	2.2
125.02453	1.0
126.90506	4.2
137.02461	1.0
138.03215	0.8
141.09274	1.2
151.11287	1.1
153.01949	0.8
153.05542	0.6
153.09201	1.9
153.12823	5.3
160.84232	4.4
161.84222	0.7
162.83905	13.1
166.99814	2.1
167.10817	0.5
169.12338	18.0
176.06577	0.4
178.34793	0.4
178.99854	1.9
179.03532	0.6
179.10754	1.6
182.02243	3.8
196.89438	1.0
196.91121	0.9
196.98460	0.6
197.02171	0.8
197.04556	1.9
197.11826	100.0
197.15530	8.1
197.80798	7.9
198.12169	2.9
209.61879	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1183
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
57.03431	8.1
58.00582	9.6
59.01377	42.8
63.95671	2.8
65.59315	3.1
69.03439	6.7
70.05829	13.3
70.50874	3.0
71.01381	29.9
72.02153	4.9
72.99281	3.1
77.03844	3.5
80.02672	5.9
83.01338	2.6
84.02162	23.0
85.02924	5.8
86.00084	14.3
93.03446	4.7
106.04255	19.4
108.02181	3.4
109.02949	4.3
110.00051	5.9
112.01642	9.0
113.02188	3.0
113.09746	11.5
121.02938	3.4
121.10255	3.7
123.00838	7.6
125.02420	3.3
125.09707	27.9
126.90511	7.8
127.11283	7.1
135.11772	5.2
137.08763	5.1
137.09718	63.3
139.11305	41.4
140.11844	2.9
141.12859	100.0
149.09709	85.7
150.10007	3.6
151.11279	10.8
153.12865	12.5
153.71468	2.5
155.10783	44.3
160.84221	8.9
161.09824	2.8
162.83916	29.6
166.99918	4.3
167.09354	3.4
167.10773	57.0
168.52788	2.5
169.12343	53.0
176.89967	2.6
178.99893	3.3
179.10794	24.4
182.02216	6.8
197.04483	3.4
197.08150	5.3
197.10080	3.7
197.11824	91.2
197.80833	15.5
216.91469	3.2
219.81482	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	197.0278
Annotation	Unknow
Peak:m/z	Relative Intensity
70.82213	3.0
110.37669	1.1
119.05029	100.0
120.05368	2.1
121.02962	1.7
136.17262	1.0
137.00641	2.7
197.02756	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	197.0609
Annotation	3,4-Dihydroxyfluorene
Peak:m/z	Relative Intensity
54.62550	2.1
58.39186	2.4
59.01377	5.8
61.98845	10.7
64.04902	2.3
67.01881	2.3
68.99522	2.2
70.47025	7.1
95.01392	4.7
109.02934	5.0
109.06568	2.7
110.69500	2.1
111.04578	2.2
116.92844	9.1
121.02980	5.0
123.00858	13.4
125.02412	3.8
126.90525	17.5
130.99249	3.1
138.03288	2.4
153.01941	9.2
153.12827	6.3
160.84224	24.0
162.83916	57.4
166.99844	10.2
169.06593	4.3
178.99834	8.0
179.03458	3.2
182.02216	23.3
196.89551	3.7
196.98323	3.0
197.00679	3.0
197.02238	5.2
197.04532	9.0
197.06088	100.0
197.08015	5.5
197.09888	4.1
197.11774	20.0
197.15538	4.3
197.80789	34.1
198.06348	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	197.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	30.3
69.03456	3.0
69.16813	13.8
69.17239	11.8
71.01356	4.0
72.31636	2.4
79.70325	2.3
83.05020	2.9
87.48670	2.6
98.19957	6.8
109.02962	3.8
121.02953	6.4
122.55672	2.9
123.00877	9.0
125.09690	3.4
126.90476	4.5
135.11766	6.5
145.66962	2.5
149.09718	10.1
153.01941	3.9
153.12866	2.3
159.26050	2.3
160.84233	5.9
161.09785	2.5
162.83907	15.8
166.99864	5.2
167.10780	59.2
169.12306	5.3
178.99857	10.5
179.10751	37.8
182.02242	13.0
197.02373	3.0
197.04500	3.5
197.11823	100.0
197.80746	6.0
197.90953	8.9
201.53452	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	197.009
Annotation	4,5-Dihydroxyphthalate
Peak:m/z	Relative Intensity
54.16132	0.2
57.03440	0.2
63.02401	0.5
65.00318	9.6
67.01893	1.6
68.99811	2.5
69.42394	1.6
83.01385	1.3
83.02679	0.2
89.00327	2.8
91.01886	2.0
92.99841	0.8
105.68832	0.2
107.01386	0.9
108.99339	0.3
109.02958	0.4
111.00875	2.3
121.02956	0.4
123.00905	0.5
125.02457	0.6
126.90501	0.4
135.00883	3.7
140.76227	0.2
151.00348	2.6
153.01927	2.3
153.05498	0.2
153.09271	0.3
176.98291	7.5
177.98587	0.3
178.99846	100.0
180.00182	3.0
182.02202	0.4
197.00896	22.5
197.11778	0.7
198.01230	0.5
201.08871	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1025
Annotation	LOLIOLIDE
Peak:m/z	Relative Intensity
56.95921	2.1
57.03446	5.0
59.01379	22.4
69.03459	100.0
73.02951	7.2
81.03450	3.5
83.05019	8.8
91.89358	2.1
93.03466	8.7
95.01363	2.4
95.05033	10.3
97.02917	2.5
97.06582	8.8
105.07073	1.9
108.05812	3.1
108.54422	2.3
109.02918	3.5
119.05071	2.7
121.02960	69.5
121.06552	2.9
122.03468	2.3
123.00805	3.2
123.04588	2.6
123.08193	2.6
125.02466	2.4
133.10277	4.6
135.04568	13.6
136.05313	16.2
149.09708	9.0
150.03236	4.7
151.04010	4.8
151.07591	3.0
151.11284	46.7
159.08113	10.1
160.08371	2.3
160.84181	14.6
163.04021	63.6
165.01926	2.0
165.05545	4.3
167.10780	11.2
177.09187	27.0
180.04332	3.7
194.99446	3.0
195.06615	11.7
195.10265	55.8
195.13882	2.5
195.81061	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	195.1389
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
54.80209	0.2
55.01870	0.2
61.98831	0.5
68.99589	0.3
70.79816	0.2
71.16983	0.2
71.17305	0.4
78.25223	0.2
99.08160	0.4
101.00194	0.2
103.92046	0.2
109.06580	4.1
109.07273	0.3
111.08157	3.7
121.02949	0.5
122.03754	0.6
125.09711	0.9
135.04539	0.5
135.11789	0.5
136.05292	1.9
138.06848	0.9
150.03273	0.3
151.03999	0.5
151.11279	0.7
160.84203	2.3
165.01854	0.3
165.05652	0.2
165.12878	0.2
167.14394	7.3
179.10767	5.0
180.11557	0.3
194.99388	0.3
195.06775	1.0
195.13893	100.0
195.81065	0.7
196.14244	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	195.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80528	2.0
57.03448	5.1
57.46858	1.9
59.01372	21.5
60.32689	2.1
67.01894	3.4
68.42481	2.0
69.03455	100.0
71.01378	2.2
72.95029	1.9
73.02953	7.8
78.83836	2.1
81.03471	3.3
83.05026	10.3
85.08922	1.9
91.05522	3.7
92.51439	2.4
93.03453	10.2
95.05025	8.4
97.02971	2.2
97.06579	8.4
98.19884	8.3
107.05069	2.7
108.02190	8.6
108.05804	2.9
109.02959	11.0
109.57485	1.9
119.05044	5.4
121.02959	86.6
121.06584	4.8
122.03246	3.1
123.00908	2.2
123.04539	4.5
125.02409	2.0
125.06076	2.8
133.10201	5.0
135.04506	23.1
136.05280	14.5
147.08200	2.3
149.09698	5.7
150.03195	3.7
151.00421	2.5
151.04018	6.9
151.07658	2.6
151.11281	47.2
159.08170	5.0
160.84247	21.1
162.03296	2.5
163.04007	82.5
165.01941	4.1
167.10770	13.6
173.70180	2.1
177.09206	26.9
180.04233	5.6
184.25966	2.1
195.02948	3.9
195.06596	14.2
195.10248	64.0
195.81084	6.7
211.22816	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	195.0662
Annotation	Isosafrol glycol
Peak:m/z	Relative Intensity
50.34552	0.6
58.19425	0.7
58.56389	0.5
59.01374	8.9
71.03259	1.7
93.03469	1.2
105.17590	0.6
108.02180	1.7
110.10654	0.6
119.05024	11.6
120.05370	0.7
121.02958	37.0
123.04523	3.3
124.01658	2.7
134.03773	2.9
135.04527	27.6
136.05299	100.0
137.05637	1.8
149.06107	1.0
150.03224	2.5
151.04004	5.7
151.07640	3.1
161.02403	1.0
162.03264	2.9
177.05574	3.7
183.96506	0.6
186.07944	0.6
195.06631	59.1
196.06929	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89699	0.4
69.03429	0.3
69.79144	1.9
71.01364	0.4
80.07154	0.3
82.40656	0.4
85.02940	0.5
89.03973	3.2
101.02461	0.4
106.04237	1.1
108.04567	0.5
117.03468	6.7
121.02966	1.0
133.02951	2.3
134.03743	100.0
135.04074	2.5
137.02451	6.5
139.04027	2.1
149.06090	9.0
150.03242	0.7
161.04523	0.7
161.21884	0.4
172.21553	0.4
178.02713	20.2
179.03043	0.9
193.05046	13.4
194.05405	0.4
199.70396	0.4
211.33174	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0662
Annotation	1135-23-5
Peak:m/z	Relative Intensity
59.01378	11.2
70.99926	1.0
71.01383	1.5
72.99314	1.0
75.00871	16.3
85.02952	1.1
87.00870	2.1
89.02480	0.6
91.05535	0.7
93.03435	1.2
95.05023	0.5
99.00881	3.0
104.02746	0.6
105.03455	1.0
108.02184	1.6
111.00888	0.8
115.27648	0.5
119.05029	10.5
121.02959	32.0
123.04520	4.6
124.01652	2.7
125.02515	0.9
129.01958	5.5
131.31599	0.5
133.02960	6.5
134.03714	3.4
135.04532	23.4
136.05301	100.0
137.05664	2.4
149.06041	0.8
150.03215	1.5
151.04027	5.3
151.07640	2.7
159.02974	1.5
161.02502	0.7
162.03244	2.7
177.05600	3.4
195.05063	8.0
195.06630	50.4
196.06937	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0505
Annotation	trans-4-Hydroxy-3-methoxycinnamate
Peak:m/z	Relative Intensity
55.01890	0.6
57.03465	1.1
59.01376	2.7
63.85729	0.5
69.03477	1.7
69.43229	1.1
69.43655	2.1
71.01386	3.7
72.99320	0.9
73.02953	2.6
81.03472	1.1
83.01385	3.1
85.02949	6.0
87.00882	2.9
89.03998	0.5
93.03478	1.7
95.01423	0.6
97.02923	2.8
99.00893	2.4
101.02470	2.6
106.04259	0.7
109.02951	0.5
111.00903	0.8
113.02498	0.6
117.03485	0.6
121.02956	3.3
125.02456	3.0
133.02957	5.3
134.03741	100.0
135.04050	2.8
137.02448	19.1
139.04015	4.9
141.01947	0.4
149.02400	0.8
149.06078	19.4
150.03246	1.6
150.06406	0.6
161.02414	0.5
161.04564	7.8
165.01866	0.6
178.02708	55.3
179.03101	2.3
190.61940	0.5
193.01398	1.1
193.05019	22.4
193.07080	2.4
193.12222	0.5
194.05417	0.8
199.09012	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0505
Annotation	Unknow
Peak:m/z	Relative Intensity
69.66341	2.2
70.50489	0.3
81.03469	0.4
85.02975	0.6
89.03974	3.2
103.53558	0.4
106.04278	1.4
111.00825	0.4
117.03462	7.0
121.02969	1.4
133.02965	2.6
134.03740	100.0
135.04074	3.0
137.02441	6.9
139.04005	2.1
149.06075	9.0
150.03230	0.8
150.06389	0.4
161.04539	0.9
165.01947	0.6
178.02702	24.3
179.03041	0.9
193.05037	14.9
193.06818	0.8
194.05383	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0506
Annotation	4-Hydroxy-3-methoxycinnamic acid
Peak:m/z	Relative Intensity
67.34563	0.3
67.98848	0.3
69.03465	0.4
69.27164	2.2
69.27586	1.2
71.01396	0.4
83.01388	0.4
85.02944	0.5
88.90120	0.3
89.03979	3.5
93.03475	0.5
106.04258	1.2
111.00912	0.4
117.03465	6.0
121.02951	1.9
125.02452	0.6
133.02979	3.1
134.03743	100.0
135.04045	2.2
137.02444	8.5
139.04033	3.0
149.02435	0.8
149.06084	10.6
150.03241	0.8
150.06395	0.4
152.46774	0.3
161.04547	1.6
178.02710	27.3
179.03018	0.6
190.73418	0.3
193.05049	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	193.0506
Annotation	4-Hydroxy-3-methoxycinnamic acid
Peak:m/z	Relative Intensity
69.36632	0.2
83.12621	0.3
89.03970	3.7
92.46189	0.2
98.19856	0.5
106.04258	1.4
117.03460	7.4
121.02965	1.2
133.02954	2.4
134.03743	100.0
135.04065	2.8
137.02446	5.8
139.04045	1.7
149.06073	10.2
149.07256	0.6
150.03217	0.7
164.76280	0.3
178.02707	22.8
179.03136	0.5
193.05057	16.3
194.05382	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0505
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59636	0.2
61.80971	0.2
69.72222	0.9
69.72636	0.5
71.01368	0.3
85.02942	0.4
87.11915	0.3
89.03969	3.2
98.20586	0.4
101.02466	0.2
106.04249	0.9
117.03465	4.8
133.02940	0.3
134.03741	100.0
135.04073	3.1
137.02466	1.0
139.03990	0.3
147.08846	0.2
149.06079	2.0
178.02730	3.6
193.05035	5.6
197.56915	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87251	0.3
57.03439	1.1
59.01385	3.2
61.73742	0.4
67.01884	1.1
69.03460	0.6
71.01389	2.2
71.02811	0.3
71.49451	0.7
73.02953	1.1
81.03461	1.6
83.05033	1.0
85.02951	28.0
87.00346	0.4
87.00878	8.0
93.03465	7.9
99.00845	0.4
99.04525	1.0
109.02965	1.8
109.94524	0.4
111.00879	5.8
111.04510	2.5
127.04021	4.6
137.02527	0.4
139.22299	0.4
156.02678	0.3
171.03027	1.5
173.04556	2.2
191.05615	100.0
192.05983	3.0
208.16336	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.1
57.03445	0.6
58.00586	0.2
59.01377	3.1
60.99295	0.2
63.20156	0.0
65.03979	0.1
67.01888	0.9
69.03453	0.8
69.71482	0.0
70.49589	0.1
71.01381	2.0
71.05019	0.1
72.01739	0.1
72.99304	0.1
73.02945	1.0
81.03452	1.0
83.01402	0.2
83.05029	1.1
83.65969	0.0
85.02950	24.8
86.03275	0.5
87.00875	4.7
87.01431	0.1
93.03459	7.9
94.03811	0.2
95.01369	0.3
96.02156	0.1
97.02950	0.2
99.00882	0.3
99.04513	1.0
101.02441	0.2
108.02172	0.2
109.02950	2.0
111.00877	0.2
111.04520	2.6
113.02415	0.3
114.02908	0.1
115.04015	0.1
125.02438	0.2
127.04012	5.2
128.04320	0.1
129.01915	0.1
129.05557	0.1
137.02466	0.4
137.17834	0.1
143.03497	0.2
143.58072	0.1
153.01981	0.2
155.03510	0.4
171.03000	1.3
171.04472	0.1
173.04538	2.2
173.06053	0.1
174.04906	0.1
189.04059	0.1
191.05605	100.0
192.05945	3.5
200.20789	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	191.0561
Annotation	Quinic acid
Peak:m/z	Relative Intensity
57.03429	0.5
58.30981	0.2
59.01377	2.8
67.01878	0.7
69.03452	0.7
71.01385	2.0
71.26663	0.3
72.01740	0.2
73.02948	0.9
75.69099	0.2
79.72216	0.2
81.03465	0.9
83.05032	0.9
85.02950	21.3
86.03300	0.2
87.00876	4.8
93.03461	6.6
95.01379	0.3
99.00872	0.2
99.04515	0.7
101.02470	0.2
108.02188	0.3
108.07808	0.2
109.02961	1.6
111.00875	2.3
111.04527	2.4
125.02449	0.2
127.04026	5.1
137.02441	0.2
143.03506	0.2
153.01889	0.3
155.03503	0.3
163.45448	0.2
170.82703	0.2
171.03015	1.0
173.04547	2.2
191.05612	100.0
192.05963	3.8
193.14476	0.2
194.49823	0.2
196.48071	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0353
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
59.01370	0.9
61.98835	0.4
71.01393	0.2
71.51804	0.3
83.05022	0.4
87.92542	1.0
91.66196	0.2
99.08123	0.2
100.38131	0.2
102.03503	0.7
103.92019	0.4
116.05056	0.6
117.03462	0.4
118.02982	0.6
123.94649	0.4
126.10086	0.3
127.07642	1.7
129.05571	2.0
141.86819	2.8
144.04550	100.0
145.04889	3.1
150.68518	0.2
153.66368	0.2
159.03249	0.7
159.87866	0.9
160.03995	0.6
161.02458	0.4
170.88963	0.6
173.05775	0.3
187.00546	0.2
188.03496	3.9
188.07964	0.7
188.09648	0.3
188.85220	0.4
189.01884	0.6
189.05510	0.3
189.07712	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0192
Annotation	3,5-Dihydroxy-1,4-naphthoquinone
Peak:m/z	Relative Intensity
50.82860	0.2
59.01383	0.4
59.12868	0.2
69.03466	0.2
69.84468	0.7
73.57829	0.2
77.03966	0.2
81.03455	0.7
82.47034	0.2
83.05016	1.2
93.93713	0.2
97.00723	0.2
104.21479	0.2
105.03458	6.9
106.03850	0.2
106.62518	0.2
109.06593	0.3
117.03482	1.4
121.02959	4.8
123.04515	0.7
129.05591	0.3
133.02957	0.3
136.69344	0.2
144.96205	0.3
145.02936	0.4
149.02437	1.4
160.00294	0.4
160.01656	11.5
161.02435	100.0
162.02776	2.6
189.01924	8.5
189.03664	0.4
189.05498	0.4
189.09196	0.9
189.12781	0.2
189.23477	0.2
190.02249	0.2
198.14035	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.035
Annotation	Pisonin F
Peak:m/z	Relative Intensity
57.03440	0.9
59.01376	2.0
61.06368	0.3
62.24842	0.3
67.01870	1.1
69.03427	0.4
70.66579	0.3
70.66927	0.8
71.01376	1.1
73.02946	0.6
81.03438	0.5
83.01326	0.3
83.05035	0.4
85.02947	13.6
86.03318	0.3
87.00875	7.0
93.03452	3.5
95.01383	0.4
99.04511	0.5
109.02959	1.1
111.00883	9.2
111.04495	0.9
112.01244	0.3
113.16058	0.3
117.22346	0.2
119.01373	0.3
119.05008	1.6
119.05737	0.3
121.02953	100.0
122.03288	2.4
124.65279	0.3
127.04003	2.0
129.01955	0.8
135.04532	0.3
147.04523	6.4
163.03938	0.5
171.03033	0.6
173.00848	0.3
173.04535	0.9
176.01146	0.5
191.01976	1.0
191.03566	8.7
191.05623	43.3
192.03951	0.4
192.05977	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0612
Annotation	2-Oxosuberate
Peak:m/z	Relative Intensity
59.01379	1.3
63.66120	0.7
69.03449	1.2
70.83356	1.5
70.83687	1.1
71.01377	5.8
72.99298	1.0
83.05002	2.0
84.02162	1.0
95.05022	3.6
97.06584	22.6
99.04523	8.5
99.08161	1.4
107.05021	3.7
108.38599	0.6
113.06095	1.0
117.46334	0.7
118.08530	0.7
123.04490	0.9
123.93783	0.7
125.05243	1.3
125.06086	18.8
141.05560	7.0
143.06009	1.1
143.07127	19.8
147.45836	0.7
148.45206	0.7
169.05067	8.2
187.06110	100.0
188.06380	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	187.0764
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
61.92971	0.3
63.38385	0.3
71.01368	0.3
71.51178	0.5
80.55118	0.3
83.96807	0.3
87.00875	0.4
87.04467	0.3
92.67890	0.3
96.99323	0.4
97.06581	0.6
99.00895	0.4
115.05530	1.9
117.03478	0.3
123.08198	0.9
125.09724	3.6
128.06317	0.3
130.04243	9.9
143.05016	0.6
143.08670	3.1
144.05806	14.2
145.06181	0.3
146.03783	0.6
157.06558	0.6
158.03725	15.2
158.07367	1.0
159.04576	2.5
159.08144	48.2
160.08513	1.5
161.02458	0.6
168.88937	0.8
172.05292	16.4
173.05630	0.6
176.04793	0.5
185.06084	0.5
186.03259	0.4
186.06737	0.7
187.04123	6.0
187.07632	100.0
188.04675	0.8
188.07962	3.2
204.04231	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	187.0764
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.4
71.01385	0.2
94.43815	0.1
97.06570	0.2
98.20774	0.3
99.08152	0.8
115.05526	0.6
125.09721	1.8
127.07661	0.4
129.10963	0.1
130.04268	0.7
141.12871	0.2
141.86824	0.3
142.03137	0.2
144.05893	0.7
145.08704	2.3
158.03722	1.2
159.04494	0.2
159.08159	1.1
168.88846	0.2
172.05299	27.3
173.05670	1.0
186.03221	0.5
186.06694	0.3
187.04053	3.9
187.07640	100.0
188.04550	0.2
188.07979	3.4
204.04260	5.6
205.04655	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75156	0.9
58.10266	0.8
59.01376	10.4
69.03444	2.5
71.01363	2.6
71.50495	1.2
72.00906	1.5
78.95919	6.8
78.96304	1.0
79.72077	1.0
81.03445	1.6
83.04996	0.9
84.02168	8.1
84.04509	1.0
85.02947	1.1
85.06577	1.3
87.00876	5.8
91.61375	0.8
93.03481	1.0
94.21548	1.1
95.05026	20.2
97.02984	1.0
97.06596	4.5
110.98530	6.1
111.00826	0.9
111.03825	1.5
111.04519	16.3
113.06091	100.0
114.06436	2.3
114.09219	1.6
123.04517	6.8
141.05571	6.4
142.08740	16.4
159.01457	1.2
169.53868	0.9
185.04572	13.5
185.06139	1.7
186.07712	3.0
186.11189	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.7
59.01379	8.9
61.98808	0.8
66.52751	0.7
70.36429	2.3
81.03467	1.7
83.05013	1.3
83.77532	0.8
84.02161	8.3
85.02445	0.7
85.06599	2.3
87.00877	4.2
95.05028	17.6
97.06592	3.1
109.02982	0.9
109.80885	0.7
111.04515	17.3
113.06086	100.0
114.06420	1.9
123.04519	3.4
132.99103	0.7
134.78906	0.8
141.05580	4.3
152.48387	0.7
185.04549	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99823	0.6
59.01379	7.4
69.03448	0.7
70.26167	2.2
71.01379	1.0
73.51742	0.6
81.03446	1.5
83.05022	1.9
84.02157	7.7
85.06098	0.6
85.06597	2.0
87.00874	3.7
95.05026	17.0
97.06576	2.5
98.20537	0.8
99.28161	0.7
109.02907	0.7
111.00915	0.6
111.04520	14.4
113.06087	100.0
114.06457	1.3
123.04539	2.8
130.86797	0.7
141.05545	6.0
185.04559	14.8
185.11885	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1182
Annotation	Epomediol
Peak:m/z	Relative Intensity
59.01367	2.5
69.45178	4.0
71.01357	0.7
77.69266	0.5
83.05031	1.3
97.06546	0.6
98.12012	0.5
123.08179	1.7
139.11298	0.8
141.09192	1.7
149.09674	2.7
155.10773	34.8
156.11151	0.9
167.10770	32.9
168.11006	0.7
185.11816	100.0
186.12140	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0612
Annotation	2-Oxosuberate
Peak:m/z	Relative Intensity
53.47658	0.6
59.01380	1.0
61.55812	0.6
63.63191	0.7
69.03442	1.9
69.63992	0.6
69.64776	4.0
69.65073	0.8
71.01384	4.4
75.01505	0.6
82.02729	0.7
83.05023	1.5
84.02178	1.2
95.05027	3.7
97.02916	1.1
97.06583	22.6
98.19952	1.2
99.04521	7.1
99.08176	1.1
107.05033	3.4
110.03754	0.9
110.49086	0.6
113.06091	1.6
124.58250	0.6
125.05228	1.3
125.06082	16.3
130.91168	0.7
136.24071	0.6
141.05589	7.8
143.07141	16.8
157.71811	0.7
169.05075	9.1
178.42212	0.6
187.06111	100.0
188.06451	2.4
204.86858	0.7
207.97112	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0615
Annotation	2'-hydroxypyridoxol
Peak:m/z	Relative Intensity
59.01381	55.0
70.02969	2.9
71.01380	14.8
71.50053	0.9
71.50381	1.1
78.95912	1.2
80.05054	1.0
80.63096	0.8
81.09496	0.9
81.40454	0.9
84.04540	9.7
84.77455	0.9
94.03000	5.3
95.05041	1.9
96.00918	1.1
97.01691	6.2
97.02988	1.3
98.06078	1.0
110.02486	2.2
111.00870	2.4
112.04048	100.0
113.02425	1.6
113.04421	1.2
113.06107	1.1
122.06139	8.9
124.04043	70.1
125.02483	1.5
125.04351	1.1
135.55685	0.9
138.02893	1.0
140.07172	33.5
141.05635	1.1
143.01015	1.0
166.05112	5.6
184.06158	67.0
185.06418	1.6
185.11700	1.4
187.23601	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1077
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
50.83347	1.0
57.65661	1.0
59.01380	100.0
69.03445	2.6
69.21127	9.1
71.01373	3.5
85.02948	3.1
87.00880	10.9
88.74577	1.0
99.00838	1.4
107.05039	1.8
107.08680	14.4
117.01928	1.7
121.09724	1.0
125.02396	2.1
130.91866	1.2
135.04530	11.8
135.09416	1.1
135.11806	10.8
141.01981	1.3
161.04559	7.0
161.09683	3.9
177.09186	2.7
179.03453	3.1
179.05653	8.4
179.10771	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82040	1.0
59.01379	100.0
69.03439	1.8
70.52216	1.0
70.52554	2.3
71.01388	3.8
73.02944	1.1
78.84566	0.9
83.05059	1.7
85.02948	2.7
87.00879	8.6
99.00852	1.6
101.77601	0.8
107.08656	11.8
116.86449	0.9
117.01950	1.9
125.02425	0.9
133.10132	0.9
135.04539	5.3
135.11809	8.9
135.99895	1.0
137.02470	1.1
159.08202	1.3
161.04501	4.8
161.09702	4.5
177.09196	3.4
179.03473	2.6
179.05667	4.3
179.10773	24.8
180.11198	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0636
Annotation	Diisopropyl phosphate
Peak:m/z	Relative Intensity
55.01884	0.5
57.03444	0.8
59.01382	12.8
65.00312	0.4
69.03451	0.5
69.20666	0.9
69.21078	2.2
69.51509	0.3
71.01382	16.9
71.34837	0.3
72.99309	0.4
73.02956	2.9
78.95905	100.0
83.01381	1.6
85.02962	2.6
86.98690	0.3
87.00880	0.5
89.02445	10.5
93.03463	0.9
95.01416	0.3
96.96963	0.6
97.02954	1.0
101.02448	16.2
102.02749	0.4
109.02952	0.9
109.06541	0.3
113.02470	1.9
115.04034	0.5
119.03503	2.2
121.02976	1.7
123.00896	0.3
125.00096	13.5
131.03477	0.7
135.04521	2.7
136.04907	0.4
137.02431	0.5
137.05072	3.3
137.06100	1.4
149.02448	0.4
149.04599	0.5
151.00337	0.8
153.03229	17.6
163.06126	3.0
166.00919	0.3
166.02663	0.8
166.06328	1.9
170.97295	0.3
181.03851	0.7
181.06343	7.4
181.07260	6.3
182.07504	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0458
Annotation	4-Pyridoxic acid
Peak:m/z	Relative Intensity
55.01880	0.2
56.91240	0.2
57.03450	0.2
59.01382	2.5
60.01718	1.0
61.98826	1.1
69.03461	0.4
71.01384	2.1
71.50342	0.2
71.50698	0.2
72.01718	1.6
73.02967	0.3
74.03287	0.3
78.14817	0.2
79.95742	0.3
80.05054	0.2
80.96529	0.2
84.01704	0.2
85.02969	0.3
86.03291	0.3
89.02448	1.1
90.02783	1.1
92.05064	4.0
93.05396	0.2
94.02984	1.1
96.96013	0.2
101.02441	1.3
102.02785	2.1
108.04559	51.9
109.04883	0.9
110.03270	0.2
110.06139	0.7
111.04548	0.2
120.03872	0.2
120.04557	5.4
121.03028	0.2
121.04949	0.2
122.02487	1.4
122.03305	0.5
123.03282	1.0
136.04042	0.8
138.05611	100.0
139.05957	2.4
152.03532	1.2
164.06468	0.4
164.98575	0.2
166.99858	0.2
167.03102	0.2
167.38190	0.2
168.00632	0.3
182.04576	22.8
182.07504	2.3
182.92996	0.2
183.03027	0.5
183.04930	0.6
198.45900	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0349
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
52.20296	0.2
55.36729	0.3
70.82262	0.5
74.16125	0.2
74.91830	0.2
79.05511	0.2
82.56844	0.2
85.59615	0.2
87.00874	0.3
89.03968	0.4
91.05522	0.4
93.03477	0.3
99.84030	0.2
106.04266	0.2
107.05024	1.8
108.02132	0.3
112.12467	0.2
117.03474	1.0
132.77469	0.2
133.03020	0.4
134.03745	7.5
135.04524	100.0
136.04852	2.8
137.02406	0.5
157.44028	0.2
161.04495	0.3
179.03508	14.0
180.03838	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0351
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
55.01881	0.2
57.03442	0.2
59.01378	1.8
65.03961	0.3
69.03450	0.6
69.33850	1.8
71.01374	2.3
71.43203	0.2
72.99336	0.2
73.02942	0.9
75.00874	0.2
81.03443	0.3
83.01399	0.6
85.02947	1.7
87.00874	7.6
89.02406	0.5
89.03976	0.3
90.98602	0.8
91.05549	0.6
93.03452	0.6
97.02957	0.6
98.19808	0.4
99.00886	2.2
101.02434	0.7
106.04262	0.3
107.05025	2.9
108.02191	0.4
109.02977	0.4
113.02459	0.5
117.01945	1.4
117.03457	0.6
117.63957	0.2
121.02953	0.9
123.04494	0.5
125.02422	0.9
133.02986	0.3
134.03741	6.1
135.04521	100.0
136.04848	2.6
137.02463	0.7
141.01953	0.8
144.15752	0.2
146.03714	0.2
151.00369	0.3
151.03984	0.7
158.69710	0.2
159.03036	0.4
161.04547	3.9
164.04744	0.5
177.04056	0.3
179.03494	15.0
179.05585	4.4
179.07097	0.5
180.03957	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0561
Annotation	scyllo-Inositol
Peak:m/z	Relative Intensity
52.32806	0.8
55.01870	1.7
55.57100	0.8
57.03446	1.7
58.00597	5.4
59.01379	100.0
60.28027	0.9
69.03444	1.1
71.01381	74.6
71.05016	1.2
72.99310	9.4
73.02952	4.7
75.00871	42.1
78.89689	0.8
81.03455	2.5
83.01418	2.3
85.02943	8.5
87.00880	8.2
89.02446	42.7
94.00172	0.8
95.01390	3.1
97.02991	0.9
98.19872	2.4
99.00877	2.0
99.04535	1.2
101.02438	9.8
102.46793	0.8
103.80096	0.9
113.02460	5.6
113.57391	0.8
119.03455	1.2
125.02434	2.1
131.03535	1.5
135.04465	0.9
140.05278	0.9
143.03499	3.4
161.04572	8.0
179.05614	27.6
179.07091	1.2
180.05836	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0349
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
59.01376	4.5
68.93487	0.2
71.01376	3.6
71.26853	0.3
72.99319	0.5
73.02964	0.4
75.00871	1.1
79.05512	0.2
81.03489	0.5
83.01405	0.4
85.02959	0.8
87.00883	1.8
89.02437	1.8
89.03975	0.5
91.05510	1.1
93.03478	0.6
97.07252	0.2
97.82581	0.2
99.00888	0.5
101.02444	0.7
106.04283	0.3
107.05019	4.5
108.02174	0.3
108.08168	0.2
109.02954	0.6
113.02469	0.2
117.01945	0.3
117.03429	1.0
123.00866	0.3
123.04522	0.4
124.01648	2.9
125.02434	0.9
131.32144	0.2
133.02974	0.4
134.03746	7.2
135.04520	100.0
136.04858	2.8
137.02423	2.0
141.95074	0.2
151.04028	1.2
161.04507	1.2
179.03497	16.5
179.05551	1.6
180.03880	0.4
195.61720	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.035
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
50.83250	0.3
59.01380	0.9
70.48232	0.6
70.48623	0.6
71.01385	1.3
73.02950	0.4
79.05537	0.3
81.03487	0.4
83.01382	0.3
85.02966	0.7
87.00876	3.0
88.16829	0.3
89.03889	0.3
91.05541	1.9
92.30782	0.3
93.03454	0.8
93.58326	0.2
97.02934	0.3
97.98202	0.3
98.20607	0.3
99.00893	0.5
106.04266	0.6
107.05032	5.8
108.02175	0.3
109.02981	0.6
111.91431	0.2
117.01963	0.4
117.03468	0.6
123.00835	0.3
124.01665	4.0
125.02471	0.8
134.03757	6.8
135.04530	100.0
136.04875	2.7
137.02454	2.5
151.04005	1.2
161.04544	1.5
179.03510	14.9
179.05576	1.5
180.03838	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.0271
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	7.5
60.07229	1.0
61.98836	1.1
63.02388	1.5
64.72247	0.9
69.03463	1.9
69.22437	9.8
71.01382	13.1
73.02948	3.9
73.03782	0.9
75.00906	1.1
80.91750	1.1
81.47629	1.2
83.01386	3.5
85.02956	8.6
87.00879	39.5
89.02448	3.1
89.67254	1.1
90.03490	1.2
93.03451	3.4
95.01384	2.5
97.02934	3.5
99.00880	9.2
101.02428	3.6
105.03452	1.2
106.04310	10.2
107.01372	2.2
109.00194	1.0
109.02980	1.1
109.49567	1.0
111.00850	3.3
113.02439	1.9
117.01896	5.2
121.02972	7.5
122.03745	3.0
125.02425	5.9
129.01967	1.3
133.02960	69.4
133.92683	1.1
134.03763	100.0
135.04555	18.3
137.02448	37.5
139.04004	12.2
141.01936	2.4
149.02400	1.8
150.03259	5.9
151.00313	2.5
151.03984	1.8
156.32617	1.0
159.02936	1.9
161.04564	18.1
163.03555	2.2
164.01004	1.5
165.01938	1.7
171.74570	1.0
178.02650	15.0
178.05051	2.0
178.99825	1.6
179.03560	5.5
179.05598	20.4
179.07080	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.9507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01354	0.3
61.98834	0.3
69.20741	2.2
71.01379	0.6
87.00880	1.3
99.00882	0.5
117.01904	0.3
119.93749	0.9
134.96094	56.4
135.96152	3.0
136.94011	100.0
137.94086	4.7
151.92719	17.4
152.92799	0.8
154.95091	0.3
161.04553	0.9
165.54887	0.2
175.64307	0.2
178.95059	69.3
179.05623	1.1
179.95157	3.4
196.96114	0.4
199.41803	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.3
57.03445	0.2
59.01377	2.4
59.37225	0.2
63.02424	0.2
67.01882	0.2
69.03461	0.4
71.01379	2.1
72.99312	0.3
73.02937	1.1
80.21442	0.2
81.03449	0.2
81.97121	0.2
83.01384	0.6
85.02943	1.7
87.00876	8.6
89.02444	0.7
89.03972	0.5
90.98598	0.5
91.05542	0.4
93.03472	0.5
95.01377	0.3
97.02960	0.7
99.00871	2.2
101.02482	1.2
106.04245	0.3
107.01401	0.5
107.05036	2.0
108.02176	0.6
109.02975	0.5
113.02468	0.4
117.01946	1.6
117.03448	0.8
121.02921	0.2
123.04543	0.3
125.02456	1.3
129.01938	0.2
133.06625	0.2
134.03748	7.0
135.04532	100.0
136.04848	2.4
137.02449	1.0
141.01947	0.8
151.00337	0.3
151.04044	0.6
159.02998	0.7
161.04556	4.9
164.01137	0.4
164.04782	2.4
177.04083	0.3
178.99988	0.6
179.03508	15.6
179.05606	5.2
179.07106	0.7
180.03896	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09237	0.1
59.01371	0.5
65.00331	0.2
68.99817	0.2
71.01385	0.4
71.52220	0.3
73.10907	0.2
75.00877	0.2
77.03975	0.9
79.01904	0.4
81.03458	0.7
86.78668	0.2
89.03979	1.8
92.05061	100.0
92.11988	0.2
93.03460	0.8
93.04794	0.2
93.05383	1.8
95.05035	1.1
101.02435	0.2
105.03459	10.4
107.01375	0.3
107.68023	0.2
109.02956	1.7
121.02972	3.2
122.03773	1.3
123.00790	0.2
123.04548	0.6
125.02363	0.2
129.01904	0.4
133.02954	7.7
133.06642	0.3
134.03761	0.8
136.04059	0.4
137.02437	0.2
139.03958	0.2
148.01674	3.3
149.02444	5.2
149.06061	0.2
150.03262	0.9
154.02736	0.2
160.98352	0.2
162.03230	2.6
176.01187	0.2
176.81729	0.2
177.01926	12.3
177.05414	0.9
177.09166	0.6
177.10497	0.2
177.68991	0.2
178.02435	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.0271
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	7.5
60.07229	1.0
61.98836	1.1
63.02388	1.5
64.72247	0.9
69.03463	1.9
69.22437	9.8
71.01382	13.1
73.02948	3.9
73.03782	0.9
75.00906	1.1
80.91750	1.1
81.47629	1.2
83.01386	3.5
85.02956	8.6
87.00879	39.5
89.02448	3.1
89.67254	1.1
90.03490	1.2
93.03451	3.4
95.01384	2.5
97.02934	3.5
99.00880	9.2
101.02428	3.6
105.03452	1.2
106.04310	10.2
107.01372	2.2
109.00194	1.0
109.02980	1.1
109.49567	1.0
111.00850	3.3
113.02439	1.9
117.01896	5.2
121.02972	7.5
122.03745	3.0
125.02425	5.9
129.01967	1.3
133.02960	69.4
133.92683	1.1
134.03763	100.0
135.04555	18.3
137.02448	37.5
139.04004	12.2
141.01936	2.4
149.02400	1.8
150.03259	5.9
151.00313	2.5
151.03984	1.8
156.32617	1.0
159.02936	1.9
161.04564	18.1
163.03555	2.2
164.01004	1.5
165.01938	1.7
171.74570	1.0
178.02650	15.0
178.05051	2.0
178.99825	1.6
179.03560	5.5
179.05598	20.4
179.07080	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.092
Annotation	3,5-Dimethoxyallylbenzene
Peak:m/z	Relative Intensity
59.01371	1.4
68.99834	0.5
70.18748	0.3
71.01380	1.1
71.10753	0.5
71.11079	0.4
77.03973	0.6
79.01879	0.3
82.72894	0.3
87.00878	0.4
89.03951	2.5
93.03468	1.1
93.25511	0.3
95.05018	1.3
105.03454	10.0
105.07101	0.5
106.03746	0.3
107.01366	0.4
108.02156	3.0
109.02956	1.2
121.02946	3.8
122.03738	48.0
123.00906	1.9
123.03978	0.5
123.04605	0.6
124.01658	5.8
129.01958	0.5
133.02956	11.5
134.03764	2.4
135.04498	0.5
136.01659	17.7
137.02409	0.6
147.04529	0.5
148.01675	2.4
148.05299	18.6
149.02443	4.9
149.06015	1.1
150.03186	0.9
153.01947	0.4
162.03210	5.4
167.24252	0.4
177.01933	18.2
177.05690	2.6
177.09196	100.0
178.02409	1.2
178.09566	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	177.0557
Annotation	Coniferyl aldehyde
Peak:m/z	Relative Intensity
57.03264	0.5
70.00719	1.7
89.04010	2.4
98.20228	1.3
103.33503	0.5
105.03455	3.0
106.04282	0.8
117.03470	3.6
121.02919	0.7
124.01715	0.8
133.02969	6.6
134.03738	64.9
135.04083	1.8
137.02464	1.4
145.02957	5.6
149.02423	3.5
149.06062	1.6
160.01666	2.7
161.02437	33.1
162.03223	100.0
163.03613	3.1
166.02702	2.2
176.01154	0.7
177.01961	5.0
177.05556	35.9
178.05884	0.8
194.00363	0.9
194.02191	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	175.0248
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10272	1.7
57.03444	5.5
57.89060	1.9
59.01376	42.0
67.01887	2.7
68.99825	3.1
69.03442	2.8
71.01383	21.9
71.30124	2.7
72.99304	5.7
73.02946	5.9
75.00862	2.7
78.95897	2.4
83.01395	2.1
85.02954	3.7
85.06586	7.8
87.00893	15.7
93.03466	2.4
96.99301	4.2
99.00885	2.9
100.98800	17.6
101.02437	2.8
111.04517	4.1
113.06105	14.2
115.00348	14.8
115.03983	12.8
115.73818	2.6
121.02944	4.2
124.98785	5.8
127.97495	16.4
129.05589	3.7
131.07130	6.2
132.04559	2.5
132.98199	4.4
142.99945	4.9
146.97046	5.1
148.04034	10.7
148.98599	26.3
157.05072	7.3
174.82831	100.0
174.88957	4.8
174.96535	5.0
175.02629	4.3
175.04012	7.5
175.06134	19.0
175.07581	4.3
175.82771	2.8
176.03546	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	177.0193
Annotation	Esculetin
Peak:m/z	Relative Intensity
51.51498	0.3
55.92675	0.3
59.15749	0.3
65.83479	0.4
70.53004	0.9
77.03964	1.3
81.03450	1.5
89.03970	7.7
93.03480	1.1
95.05047	0.8
95.71442	0.3
99.26633	0.4
105.03464	12.0
107.01395	0.7
109.95300	0.3
121.02937	1.1
133.02962	27.4
134.03313	0.8
149.02438	3.2
158.58565	0.3
177.01930	100.0
178.02234	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	173.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23527	0.2
50.70457	0.3
53.56812	0.2
57.03447	1.8
59.01384	2.9
60.99311	3.7
61.98829	0.3
65.03964	0.7
67.01893	27.9
68.02227	0.5
68.99805	0.3
69.03461	5.1
69.90304	0.6
69.90723	0.7
71.01384	5.5
72.99320	0.6
73.02945	0.9
81.03455	1.9
83.05031	1.3
85.02954	0.8
93.03459	100.0
94.03786	2.0
97.34469	0.3
99.00881	2.2
109.02947	1.1
111.04513	8.9
111.08163	0.3
112.04835	0.3
115.04002	0.9
123.31492	0.2
124.72812	0.2
128.87793	1.0
129.01970	0.5
130.89804	0.4
154.94763	0.3
155.03539	0.7
172.83147	0.8
173.04550	7.7
173.06017	0.6
174.04903	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0819
Annotation	Suberic acid
Peak:m/z	Relative Intensity
57.03447	7.6
59.01383	4.6
60.99308	3.6
65.03961	0.5
67.01892	26.1
69.03459	5.2
69.66470	0.4
71.01380	6.4
71.51759	0.6
72.99294	1.5
73.02957	2.2
81.03449	3.0
83.05025	16.3
85.02946	1.3
85.06580	1.4
88.25391	0.4
93.03459	81.2
94.03784	2.0
99.00888	3.1
99.04504	1.1
109.02887	0.7
109.06596	3.2
111.00904	2.5
111.04531	10.6
111.08161	100.0
112.08497	2.5
113.06100	0.6
115.04013	0.6
129.01920	0.5
129.09218	6.7
130.04231	0.7
131.07100	2.5
137.02432	1.1
145.02974	1.4
145.06581	2.5
155.03525	1.8
155.07140	1.1
158.03748	6.6
159.04355	0.8
173.02328	0.8
173.03046	0.6
173.04543	8.7
173.06050	7.8
173.08189	35.6
174.03217	0.4
174.06807	1.0
174.08443	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0454
Annotation	Shikimate
Peak:m/z	Relative Intensity
55.01877	4.9
57.03451	5.7
58.00581	2.0
58.02961	1.7
59.01382	5.6
65.03959	2.1
67.01899	9.1
68.99803	2.7
69.03436	3.3
69.46543	4.5
71.01381	49.9
71.05015	1.4
72.99310	5.7
73.02947	42.8
78.95924	0.9
80.99810	1.3
81.03078	0.7
81.03468	6.3
83.01388	5.6
83.05027	19.2
85.02951	96.4
86.03299	2.2
87.00871	3.8
87.05653	2.0
93.03458	100.0
94.03773	2.5
96.96938	1.1
96.99319	2.4
99.00883	22.1
99.04527	12.7
100.04284	0.8
101.02435	1.4
109.02935	1.5
111.00883	47.9
111.04519	30.4
112.01228	1.2
112.98813	23.1
115.00356	2.0
122.07158	1.0
124.97960	1.0
124.98809	13.1
129.01950	17.2
129.05574	1.9
131.08243	5.9
137.02440	20.2
142.99861	26.2
143.03491	4.0
144.38011	0.8
154.99847	1.9
155.03490	8.0
173.00911	4.8
173.04536	15.7
173.05913	0.7
173.09283	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	173.0454
Annotation	2-Oxopimelate
Peak:m/z	Relative Intensity
55.54823	1.3
57.03446	4.5
59.01376	40.2
60.99303	2.6
67.01889	14.6
69.03452	6.3
69.48350	6.5
69.48756	2.8
71.01385	6.5
72.99309	77.8
73.02947	3.2
83.05024	18.3
85.02960	3.8
85.06583	14.2
93.03459	53.9
93.44930	1.5
94.03809	1.8
99.00929	1.4
99.04524	17.1
99.24886	1.4
106.79117	1.4
111.00896	6.5
111.04517	84.7
112.04884	3.8
129.05583	28.3
137.02409	3.5
155.03502	100.0
156.03807	4.5
173.04558	23.1
173.06023	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	173.0455
Annotation	2-Oxopimelate
Peak:m/z	Relative Intensity
53.00307	1.7
55.01880	2.3
57.03445	4.4
59.01382	42.7
60.99308	1.2
67.01897	8.1
67.05548	1.6
68.99821	1.7
69.03463	4.8
69.45961	7.9
69.46284	2.0
71.01380	37.2
72.99309	74.3
73.02944	9.8
77.35477	1.0
81.03462	2.2
83.01392	4.2
83.05025	20.8
85.02956	8.0
85.06593	13.4
87.00877	2.2
93.02864	2.1
93.03460	40.6
96.39289	1.0
96.99323	3.1
99.00884	12.7
99.04514	14.5
101.02444	1.9
101.06096	1.5
101.63383	1.0
111.00889	26.2
111.04524	94.7
112.04844	2.5
112.98824	16.4
115.00420	2.0
124.98805	10.9
127.04066	1.2
129.01933	1.9
129.05582	32.7
131.08276	3.6
137.02441	7.5
142.11685	1.2
142.99860	27.2
143.00926	2.2
155.03505	100.0
156.03864	1.7
168.73735	1.0
173.00931	3.7
173.04546	17.7
177.06769	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0091
Annotation	Dehydroascorbate
Peak:m/z	Relative Intensity
53.00310	2.9
55.01877	7.3
57.03447	6.4
58.00597	1.4
58.02966	2.2
59.01381	20.9
60.99297	1.9
64.34506	1.0
65.03956	1.8
67.01888	15.3
67.05515	1.2
68.99807	3.4
69.03446	4.0
71.01380	95.1
71.50315	1.6
72.01715	1.3
72.99306	24.9
73.02944	32.0
75.00871	1.3
78.95886	1.8
80.99796	2.1
81.03452	5.7
83.01398	8.5
83.05031	18.5
85.02947	55.8
85.06576	6.2
87.00857	6.9
87.05621	1.5
93.03455	100.0
94.03773	1.8
96.96928	2.3
96.99306	5.2
99.00876	39.2
99.04517	14.4
100.65481	1.2
101.02441	1.8
111.00878	38.6
111.04518	54.2
112.04855	1.5
112.98803	42.4
115.00411	6.5
124.98805	29.5
127.00359	1.3
129.01933	10.7
129.05602	10.4
131.08302	5.6
137.02444	13.0
140.98264	4.2
142.99860	80.3
143.03526	2.3
144.00180	2.6
154.94676	1.2
154.99883	2.7
155.03487	34.1
173.00961	8.8
173.04541	26.2
173.09264	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	173.0092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	3.8
53.18221	1.0
53.50587	1.0
55.01877	7.1
57.03448	5.8
59.01381	10.5
60.99305	2.4
64.65011	1.2
67.01891	14.8
67.47308	1.0
68.99812	2.8
69.03447	4.6
70.78579	2.9
71.01383	100.0
72.01701	1.2
72.99312	13.0
73.02940	11.2
80.99818	2.2
81.03461	1.0
83.01374	7.9
83.05016	5.0
85.02962	19.3
85.06597	2.2
87.00882	6.0
93.03461	58.3
94.03796	1.2
96.99313	4.2
99.00887	31.7
99.04530	2.4
111.00883	12.8
111.04520	14.4
112.98820	35.2
115.00365	7.2
124.98808	27.1
129.01939	3.7
129.05569	2.9
131.08231	4.9
137.02440	2.9
140.98315	2.8
142.99867	83.1
144.00198	1.4
154.99881	1.3
155.03482	5.9
164.39740	1.1
172.83026	3.7
173.00914	10.0
173.04562	7.2
173.08069	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0663
Annotation	4,7-dioxooctanoic acid
Peak:m/z	Relative Intensity
53.17708	0.7
59.01377	12.0
64.59247	0.7
65.00316	1.1
69.34380	0.6
71.01385	2.9
71.87876	0.7
73.02957	2.9
79.28965	1.0
81.03456	26.5
97.06613	0.8
99.00894	2.2
99.04530	1.1
107.05028	3.7
109.02954	1.2
109.06593	51.4
110.06885	1.2
111.00892	1.1
125.09680	0.9
127.07657	100.0
128.08008	1.7
130.08737	3.6
144.04555	1.7
153.05614	1.3
171.01993	3.7
171.06639	59.6
171.10249	17.5
171.13882	5.4
172.06989	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1027
Annotation	9-Oxononanoic acid
Peak:m/z	Relative Intensity
52.41153	1.1
57.03428	1.0
59.57730	0.9
65.00333	1.3
70.84821	1.6
70.85136	1.6
85.96423	1.1
96.19234	1.0
98.19954	1.3
123.08160	1.3
125.09724	38.7
126.10076	1.2
127.07677	2.1
144.04501	2.5
151.66425	1.0
153.09238	2.7
171.02020	1.4
171.10262	100.0
172.04025	1.1
172.10582	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1027
Annotation	(-)-Blastmycinolactol
Peak:m/z	Relative Intensity
55.01863	0.6
65.00317	0.9
68.15985	0.5
68.99835	0.7
71.05019	42.1
71.57635	0.5
72.05376	0.7
79.54875	0.5
83.05028	4.7
97.02962	0.9
97.06604	1.1
99.08143	6.0
99.08734	0.6
99.92606	1.7
125.09741	8.3
127.07656	1.9
127.11291	100.0
128.11644	2.2
153.09219	17.5
171.02019	1.2
171.10268	67.4
171.13960	2.1
172.10596	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1027
Annotation	9-Oxononanoic acid
Peak:m/z	Relative Intensity
51.80654	0.6
68.63515	0.5
68.84975	0.5
69.33691	4.2
69.34092	1.2
125.09716	3.6
127.11292	6.4
153.09219	2.4
171.10265	100.0
172.10583	3.6
194.60680	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0871
Annotation	(E)-4-Oxo-2-nonenoic acid
Peak:m/z	Relative Intensity
55.01880	7.0
55.16350	0.5
57.03444	0.9
58.20217	0.5
61.09486	0.6
68.99812	0.9
69.03458	8.2
69.94333	2.4
71.05022	35.7
72.05367	0.9
80.02679	2.0
81.03454	2.3
83.05024	8.0
94.78452	0.5
95.05038	1.2
97.02947	2.0
97.06593	2.5
109.06596	0.8
122.89419	1.1
123.07271	0.7
123.08160	9.7
125.02449	10.4
125.09727	100.0
126.10061	2.9
141.09198	0.8
168.99023	3.1
169.01390	3.3
169.08705	10.8
176.97507	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1234
Annotation	Platydiol
Peak:m/z	Relative Intensity
52.17657	1.3
57.03435	3.6
58.00592	33.1
59.01369	3.0
65.00317	2.5
68.99815	3.9
69.02456	1.4
69.03442	4.6
69.29469	8.3
69.29884	3.4
69.41389	1.4
71.01382	6.5
71.05019	2.1
72.02154	1.5
73.02939	3.1
73.46478	1.3
79.01886	2.6
79.56894	1.5
81.03448	5.4
83.05042	2.5
83.06147	3.3
84.02169	85.1
85.02959	3.4
95.05032	2.6
96.06180	1.6
96.99297	2.1
97.02952	9.7
97.06588	3.6
105.04103	1.4
107.05023	3.9
113.09710	4.9
120.44672	1.5
122.89435	8.5
123.04530	2.8
125.02446	54.7
125.06081	4.2
125.09705	9.2
125.10715	2.4
125.99586	2.6
137.09671	3.5
139.11295	24.4
141.12857	40.5
151.00372	2.4
151.04034	2.1
151.11282	6.0
153.99045	2.0
168.99055	7.9
169.01407	20.6
169.05066	5.7
169.06412	1.7
169.08685	4.2
169.12337	100.0
170.12694	3.1
185.18730	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0094
Annotation	Diethylthiophosphate
Peak:m/z	Relative Intensity
54.16567	0.3
54.39017	0.2
55.11352	0.2
55.78686	0.2
62.96403	0.9
65.00315	0.2
69.03438	0.2
69.55231	0.8
69.55631	0.4
71.01374	0.3
74.69524	0.2
78.95918	1.2
81.03455	0.4
84.32821	0.2
94.93622	100.0
97.02959	0.5
120.01649	0.2
123.04499	0.3
125.02414	0.8
125.06068	1.0
125.09710	0.5
125.99612	0.4
139.97003	0.4
140.97812	26.9
141.98083	0.4
151.00351	0.3
151.03947	0.2
155.72722	0.2
168.83795	0.2
169.00928	17.2
169.05020	0.6
169.07596	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1077
Annotation	4-Hydroxy-4,6,6-trimethylbicyclo[3.1.1]heptan-2-one
Peak:m/z	Relative Intensity
59.01377	39.8
69.27509	20.1
71.01386	1.8
72.45255	1.9
73.45922	1.8
95.01387	3.2
98.19764	2.1
108.02168	13.2
123.00862	4.7
123.04521	9.6
135.41434	2.2
149.09712	26.8
152.01160	26.6
167.03551	10.9
167.10779	100.0
168.03011	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	168.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76709	0.3
55.10997	0.3
58.02975	100.0
59.03331	0.4
61.98816	0.3
63.92992	0.3
68.99815	0.3
69.80381	1.4
70.02979	0.8
98.19859	0.4
106.88013	0.3
122.89457	1.2
125.02449	3.1
131.11897	0.3
151.11325	0.6
152.52705	0.3
153.01561	0.3
168.02966	0.4
168.13905	7.6
168.98981	0.8
169.01450	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0404
Annotation	L-Ribonic acid
Peak:m/z	Relative Intensity
55.01870	1.3
57.03437	2.7
59.01375	14.5
70.12228	1.4
70.12617	1.9
71.01380	11.6
72.00898	1.6
72.99305	12.6
73.02935	2.9
74.97028	0.8
75.00870	92.6
81.91822	0.7
83.01402	1.0
85.02943	3.1
85.72431	0.8
87.00872	100.0
88.01220	1.8
89.02439	4.4
99.00875	13.2
101.02426	5.3
105.01933	71.2
106.02269	1.6
117.01937	3.0
119.03507	1.1
121.02951	1.8
129.01936	13.3
135.02998	1.5
147.03000	11.6
148.04836	2.8
165.04033	76.0
166.04410	1.3
173.55197	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0556
Annotation	Dihydro-3-coumaric acid
Peak:m/z	Relative Intensity
50.92668	1.7
54.12273	1.8
59.01375	49.3
70.88145	3.9
71.59467	2.0
72.37395	1.9
76.74479	2.0
81.33073	1.9
83.64754	1.9
89.76958	2.0
93.03457	34.4
119.05033	8.3
121.02945	3.4
121.06590	31.3
128.80789	1.8
151.96010	1.6
165.05569	100.0
166.05937	3.1
168.25781	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	165.0557
Annotation	Dihydro-3-coumaric acid
Peak:m/z	Relative Intensity
59.01381	44.3
67.90237	1.3
70.01494	2.9
70.31394	1.3
86.19685	1.3
93.03458	33.3
94.03209	1.4
94.03773	1.6
96.36419	1.4
102.46400	1.2
108.25568	1.3
119.05004	7.1
121.06593	29.2
145.45563	1.5
165.05563	100.0
166.05919	3.0
179.03398	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0558
Annotation	D-(+)-3-Phenyllactic acid
Peak:m/z	Relative Intensity
58.68047	0.4
59.01385	0.9
69.30638	3.6
69.30963	0.8
72.99310	33.7
77.03994	0.8
78.08273	0.5
91.05527	1.8
93.03478	1.6
98.20760	0.4
101.03961	2.4
103.05524	4.8
103.41238	0.4
109.02966	0.9
117.03492	1.0
117.73536	0.4
119.05031	38.7
120.05366	1.1
121.02957	14.4
121.06612	1.1
133.02946	0.4
137.02461	1.2
138.34863	0.4
147.04524	100.0
148.04826	3.7
149.00960	0.4
150.03217	1.2
151.00346	0.5
164.89684	0.3
165.01910	2.8
165.05569	30.6
165.09245	1.1
166.05939	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0402
Annotation	2-Hydroxycinnamic acid
Peak:m/z	Relative Intensity
55.74469	0.1
59.01375	0.4
60.37354	0.2
64.53077	0.2
70.01147	0.7
71.01366	0.3
75.03413	0.1
85.02944	0.4
91.05524	0.3
93.03453	1.3
101.02419	0.9
117.03439	0.3
119.05025	100.0
120.04536	0.3
120.05354	3.1
121.02837	0.2
135.15956	0.1
162.83966	0.2
162.89256	0.2
163.00392	0.4
163.04008	6.8
163.05995	0.7
164.04381	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0402
Annotation	2-Hydroxycinnamic acid
Peak:m/z	Relative Intensity
59.01395	0.2
71.00090	0.5
82.45048	0.2
93.03457	1.5
94.03783	0.3
101.02467	0.4
117.03408	0.3
119.05027	100.0
120.05363	2.9
135.04456	0.3
162.89346	0.3
163.04015	7.1
163.06117	0.4
164.04401	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1122
Annotation	4-Isopentylphenol
Peak:m/z	Relative Intensity
59.01353	2.1
61.98817	1.4
62.80438	1.4
71.01370	2.4
71.51312	1.9
71.51701	1.5
89.08399	1.4
91.01916	1.4
93.03503	1.4
95.01398	1.4
95.06438	1.4
101.02435	3.0
116.92086	5.2
119.05030	47.0
135.00916	1.6
147.08165	2.0
163.00366	5.8
163.04022	3.4
163.06155	2.8
163.11288	100.0
164.11655	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	164.0717
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
50.14892	0.5
68.07990	0.6
69.28577	4.9
72.00908	43.0
91.05541	3.0
93.03492	0.9
103.05543	6.6
118.06628	0.7
119.05054	2.0
121.14237	0.6
147.04520	100.0
148.04897	3.4
149.66229	0.7
153.34604	0.6
164.07161	49.2
165.05569	2.0
165.07483	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0401
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
65.08018	0.2
69.22937	1.6
71.39356	0.2
72.21677	0.1
74.71857	0.2
91.05520	0.2
93.03452	1.5
102.61353	0.2
103.58056	0.2
117.03446	0.3
119.05028	100.0
120.05367	3.4
135.04630	0.2
140.82860	0.2
163.04013	7.4
164.04340	0.3
168.57526	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47836	0.1
54.82176	0.2
69.55890	0.7
69.56304	0.3
72.56477	0.2
91.05515	0.2
93.03462	2.3
117.03500	0.5
119.05034	100.0
120.05363	3.6
161.32303	0.2
163.02763	0.4
163.04039	5.3
173.97130	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
69.01416	0.2
69.15538	1.2
69.15963	1.4
80.14625	0.2
81.91960	0.2
84.00758	0.2
91.05537	0.3
93.03445	1.5
117.03532	0.4
118.97293	0.2
119.05026	100.0
120.05356	3.1
138.42398	0.3
163.04010	7.5
164.04341	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0456
Annotation	Lichenin
Peak:m/z	Relative Intensity
55.01866	4.7
56.07206	1.5
57.03449	18.4
58.00591	5.0
59.01380	81.3
60.01693	2.6
64.12088	1.5
67.62994	1.4
69.03452	7.9
69.05441	1.6
70.99049	4.3
71.01381	61.6
72.99306	11.4
73.02947	57.2
75.00855	3.3
81.03454	17.0
83.01385	29.0
84.02171	2.9
85.02950	100.0
87.00865	5.7
87.04527	1.9
89.02449	19.3
95.01442	1.9
97.02947	9.0
99.00859	2.3
99.04507	4.0
101.02442	7.2
111.77636	1.6
113.02442	5.0
115.03968	2.2
125.02438	5.2
129.01945	3.1
131.02545	2.8
131.03505	46.2
133.02946	3.5
143.03484	3.9
159.36562	1.5
160.84200	3.9
161.02547	7.9
161.04552	50.4
161.05885	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90027	1.6
55.01866	5.7
57.03447	16.2
58.00591	4.5
59.01379	81.3
61.81520	1.7
65.91032	1.5
69.03456	6.0
70.68304	3.5
70.68636	1.9
71.01382	57.2
71.01781	3.0
72.99319	9.0
73.02945	59.0
75.00889	1.6
81.03452	13.4
83.01384	20.3
84.02188	2.5
85.02951	100.0
87.00885	5.9
89.02446	20.3
95.27132	1.6
97.02942	10.6
99.00897	3.3
99.04517	6.0
101.02434	9.9
113.02442	8.2
117.74364	1.7
125.02435	4.9
125.26691	1.8
129.01871	1.8
131.03496	39.7
143.03535	2.3
160.84204	5.4
161.02429	3.5
161.04559	47.9
166.19775	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.2
57.03450	34.0
58.00579	3.1
59.01378	91.6
69.03446	8.6
70.66978	6.4
71.01383	62.9
71.05014	9.1
72.99309	17.2
73.02946	66.9
75.00858	5.9
81.03455	15.3
83.01383	26.8
84.02168	7.0
85.02950	100.0
87.00868	17.8
87.04488	3.3
89.02438	18.2
95.01389	3.6
97.02949	9.2
99.00880	5.9
99.04507	34.0
99.96725	2.1
101.02432	34.1
113.02451	12.4
115.03995	5.2
115.07675	5.2
117.05569	2.7
125.02452	8.0
131.03499	45.0
133.02919	8.4
143.03487	12.1
161.02553	12.2
161.04559	65.7
161.05913	5.2
161.08176	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	161.0244
Annotation	3-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.55424	0.6
55.01870	2.5
55.31469	0.6
57.03448	4.9
57.17051	0.6
58.00587	1.6
59.01381	27.9
59.98525	0.8
60.99300	2.7
65.03957	0.9
69.03449	2.8
69.44940	5.0
71.01379	24.9
72.98952	0.6
72.99293	3.7
73.02945	17.5
75.00866	1.9
77.03979	1.4
77.77122	0.7
81.03453	4.8
83.01379	8.7
85.02951	35.6
86.03286	0.8
87.00881	2.6
89.02449	7.5
93.03455	1.8
95.01383	1.0
97.02945	3.2
99.00887	1.3
99.04482	1.0
101.02441	2.7
105.03461	66.8
106.03734	1.9
107.05039	0.7
111.89609	0.7
112.51742	0.8
113.02454	3.2
115.92086	1.2
117.03461	9.9
118.03769	0.8
120.67714	0.6
121.02959	68.4
122.03266	1.5
123.04527	12.8
125.02451	1.7
131.03505	15.0
133.02968	4.5
143.03459	1.0
149.02440	22.0
149.03638	1.3
159.08133	1.1
160.01660	15.5
161.02443	100.0
161.04568	19.8
161.06050	2.3
161.09734	3.1
162.02791	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	157.1346
Annotation	N-Nitrosodi-n-butylamine
Peak:m/z	Relative Intensity
55.01863	2.2
56.04789	2.6
56.05043	32.2
57.03439	5.8
59.01381	23.8
61.98816	4.6
67.01864	2.4
68.99804	6.6
69.03449	8.5
71.00166	3.9
71.01383	11.4
73.87112	2.1
75.00862	8.5
78.41753	2.0
81.03474	1.9
83.01354	2.1
83.05029	3.2
84.99313	99.6
85.02958	5.2
87.00874	7.2
87.04494	3.0
95.01361	2.2
95.05014	4.9
96.96010	2.0
97.07713	2.4
98.19923	2.1
99.00862	8.6
99.37147	2.2
99.92548	4.4
100.92583	4.2
101.07204	100.0
101.92379	2.4
111.00896	2.5
111.04497	2.4
111.08166	3.6
112.92216	5.9
112.98800	2.4
113.02395	2.3
113.06068	4.6
113.09684	4.2
114.93408	3.4
115.00327	4.8
115.08768	34.0
116.07194	3.2
127.00375	70.7
128.00690	2.6
128.98286	12.7
129.01891	2.0
139.00279	2.7
139.12335	2.8
149.70309	2.6
156.86591	11.0
156.89476	23.5
156.97807	4.3
157.01347	14.7
157.05060	6.5
157.08733	17.6
157.12291	58.3
157.13451	69.5
157.86247	23.5
158.03571	6.3
158.08185	4.6
172.24316	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	161.0245
Annotation	7-Hydroxychromone
Peak:m/z	Relative Intensity
50.50061	0.2
53.57348	0.2
55.01878	0.6
57.03447	1.7
58.00594	0.3
59.01380	10.7
62.71597	0.2
69.03469	0.9
69.23002	1.9
71.01380	8.2
71.05017	0.2
72.99319	1.1
73.02946	7.1
75.00894	0.6
77.03963	1.2
81.03460	1.8
83.01385	3.4
84.02176	0.3
85.02948	14.0
87.00869	1.2
89.02452	3.0
89.03978	0.9
95.01414	0.6
95.05042	0.4
97.02927	1.2
99.00893	0.4
99.04522	0.8
101.02426	1.1
104.02701	0.6
105.03467	2.6
107.85938	0.2
113.02453	1.4
114.36902	0.3
115.01884	1.4
115.04012	0.4
115.92110	0.5
117.03426	0.5
117.05560	0.3
123.04562	0.5
125.02453	0.5
127.89075	0.2
131.03502	5.4
132.02171	11.7
133.02957	100.0
134.03264	3.2
143.03558	0.6
159.03053	0.3
160.01648	0.4
161.02443	61.0
161.04425	7.3
161.95210	0.4
162.02861	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1079
Annotation	Nonane-4,6-dione
Peak:m/z	Relative Intensity
55.01868	1.9
57.03444	1.0
59.01396	1.0
67.01886	3.4
68.99557	1.1
70.53856	1.7
71.01369	1.0
81.03460	0.9
83.01390	6.8
83.05037	1.6
84.00886	1.2
84.04532	0.7
85.02970	1.1
93.03450	3.1
95.01380	1.0
96.96009	1.9
97.02966	1.0
99.00896	0.8
99.04556	0.8
99.92584	7.3
101.34968	0.7
109.02941	0.7
109.06512	0.7
111.00887	4.7
111.04522	2.7
111.08150	1.5
112.98566	0.9
113.06026	0.7
114.05611	3.6
127.00373	3.0
137.02480	1.5
140.01141	3.0
140.04271	1.1
152.08145	0.6
154.86891	4.6
154.99860	2.8
155.02512	1.2
155.03549	2.0
155.10779	100.0
155.86565	31.2
156.06659	2.0
156.11092	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	155.1079
Annotation	Nonane-4,6-dione
Peak:m/z	Relative Intensity
55.01873	1.4
56.38235	0.6
59.01374	1.9
67.01875	1.8
69.40652	5.6
71.01387	0.8
75.13167	0.7
83.01376	3.4
83.05049	0.7
85.02950	5.7
93.03490	1.4
99.92584	4.4
111.00885	2.5
111.03570	0.7
111.04497	1.3
113.02465	3.4
114.05608	2.1
127.00356	1.5
127.04003	1.2
140.01204	0.9
154.86900	1.9
154.99879	1.2
155.03552	1.5
155.10780	100.0
155.86568	13.9
156.06667	1.0
156.11044	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	155.0351
Annotation	(2S,3S)-2,3-Dihydro-2,3-dihydroxybenzoate
Peak:m/z	Relative Intensity
59.01362	4.1
67.01900	9.5
67.05533	8.7
69.03442	6.6
69.90235	19.5
83.01396	15.4
83.05025	29.6
85.02960	13.2
93.03449	43.5
99.04523	12.7
111.00879	11.0
111.04520	100.0
113.02437	8.6
114.05596	7.2
127.00340	6.7
137.02446	9.8
140.01120	5.8
154.99928	5.7
155.03497	31.5
155.86598	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	155.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46144	1.3
55.01882	7.2
57.97575	2.9
59.01383	2.2
61.98827	2.6
65.00336	1.8
65.37532	1.6
66.03440	1.7
67.01896	10.3
69.03466	2.8
70.05453	1.4
71.01006	1.4
71.01386	6.2
71.52531	1.7
72.15817	1.4
83.01385	26.9
83.05042	7.5
84.00902	4.9
84.04549	2.2
85.02966	4.7
92.92223	1.4
93.03457	10.9
95.01396	2.1
96.96013	6.4
97.02971	4.8
99.92593	26.6
109.02953	4.2
111.00875	16.5
111.04518	10.7
111.08172	2.6
112.00454	1.9
113.02463	1.6
114.05606	18.2
127.00395	11.0
127.04005	3.1
137.02466	4.7
140.01155	10.0
154.86862	19.3
154.99854	10.0
155.02473	2.9
155.03687	8.2
155.07135	3.4
155.10789	3.3
155.86575	100.0
156.06641	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	151.0401
Annotation	Vanillin
Peak:m/z	Relative Intensity
67.01873	0.2
69.03443	0.2
69.65491	0.7
71.01360	0.3
79.01892	0.5
92.02652	0.3
95.01383	1.6
106.68541	0.2
107.05019	0.4
108.02174	6.1
109.02441	0.2
110.46107	0.1
123.04517	0.8
123.57745	0.2
136.01654	100.0
137.01996	3.2
147.67661	0.2
151.04005	8.7
152.04420	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0323
Annotation	Diethylphosphoric acid
Peak:m/z	Relative Intensity
54.31876	0.2
54.82199	0.2
69.39907	0.1
70.25732	0.3
70.26134	0.4
78.95904	100.0
81.03463	0.2
96.96962	0.8
104.02496	0.2
108.02151	0.2
109.02953	3.5
110.00082	0.3
125.00096	43.7
126.00444	0.6
137.99561	0.5
152.93710	0.2
153.01939	1.1
153.03198	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	153.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
59.98523	0.9
61.98819	1.1
65.00318	2.2
65.03965	0.9
66.03490	0.5
67.01893	0.5
68.99828	1.3
69.03439	0.9
69.28734	3.6
71.01388	0.6
71.48369	0.5
78.95920	0.5
80.96514	2.6
81.03454	5.0
81.04575	0.9
82.02995	1.0
82.03751	0.6
83.01386	1.5
83.05031	0.7
84.02160	0.7
85.02962	3.1
89.39233	0.5
91.01903	1.0
95.01342	1.1
96.96033	0.7
96.99323	0.6
97.02949	1.6
97.93148	0.5
107.01389	0.8
108.02171	9.2
109.02948	100.0
109.06608	1.7
110.00079	3.1
110.03268	2.9
111.00888	0.7
118.89975	0.7
123.00883	1.4
123.04508	1.8
124.01695	1.0
124.04050	0.9
124.98811	0.9
125.02442	4.2
135.04550	1.5
137.99571	3.6
138.03197	1.0
151.00375	3.0
152.98450	0.9
153.01929	28.7
153.03935	1.1
153.05525	3.3
153.06613	0.5
153.09201	11.3
153.12773	0.7
153.86862	55.0
154.01367	1.0
154.05080	0.7
154.09563	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1286
Annotation	1,8-Cineole
Peak:m/z	Relative Intensity
51.82552	0.7
53.23421	0.6
56.97792	0.7
59.08923	0.6
61.98804	1.2
65.00317	1.9
65.03963	1.3
66.03460	1.0
68.99816	1.6
69.03457	1.4
69.32648	6.5
71.01366	1.0
71.05018	1.4
78.95902	1.0
80.96503	3.9
81.03442	5.1
82.02996	1.1
83.01385	1.6
83.05002	1.1
91.01904	1.1
93.81615	0.6
95.01392	1.6
95.05029	0.8
96.95992	0.9
97.02963	2.1
97.06585	13.5
97.93163	1.1
98.20682	1.3
99.08157	4.4
107.04993	1.0
108.02169	8.4
109.02951	100.0
109.06608	3.3
110.00099	5.0
110.02572	1.2
110.03254	4.5
111.04499	1.0
111.08167	1.0
123.00886	1.0
123.04512	2.1
124.01684	0.9
124.03984	1.2
124.98820	1.3
125.02438	5.1
125.06108	1.1
125.09710	1.6
135.04532	1.7
137.09755	1.5
137.99590	7.0
138.03267	1.4
139.56467	0.8
151.00356	2.3
151.11327	0.8
152.98610	1.6
153.01936	27.6
153.05562	5.2
153.09259	1.1
153.12848	43.6
153.86865	76.2
154.01436	2.3
154.05063	0.9
154.13231	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.5
59.01374	9.6
61.49539	0.8
64.17865	1.0
69.03455	2.7
69.42914	7.0
69.43309	1.0
71.01378	36.3
72.99306	6.7
73.02943	28.3
74.03271	0.9
75.00868	33.4
78.65955	0.9
85.02953	1.7
87.00872	14.3
89.02442	100.0
90.02786	2.1
101.02419	2.7
103.03976	5.4
106.99245	0.9
110.63780	0.9
131.03523	10.5
149.03354	2.2
149.04552	39.0
150.04948	0.9
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	2-Deoxyribonic acid
Peak:m/z	Relative Intensity
56.17013	1.5
59.01382	100.0
69.56844	10.9
71.01392	6.1
73.02931	2.8
87.00906	4.0
89.02439	11.3
93.03476	2.5
94.99312	3.9
98.19843	1.5
105.03497	2.0
121.02956	15.6
134.03699	2.3
136.75540	1.6
139.48257	1.6
149.02435	11.1
149.04642	1.9
149.06052	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	149.0455
Annotation	xylulose
Peak:m/z	Relative Intensity
50.09875	1.4
58.00594	1.5
59.01161	1.2
59.01387	13.7
69.03444	3.4
71.01007	2.7
71.01382	37.7
71.05399	2.8
72.01704	2.6
72.99306	10.9
73.02950	22.3
75.00867	34.0
79.95740	1.9
84.45788	1.2
85.02941	2.3
87.00877	21.4
89.02443	100.0
90.02769	2.4
90.21070	1.3
103.04006	6.2
106.71492	1.2
112.98141	1.4
119.78884	1.5
121.02953	6.7
131.03479	12.1
134.03740	4.2
139.04100	1.3
148.95256	6.6
149.00905	2.4
149.02431	5.0
149.04541	39.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0608
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	9.8
71.01370	3.2
71.11076	2.6
73.02967	1.8
87.00892	1.7
89.02447	5.8
89.04324	1.4
93.03474	2.6
94.99300	1.6
95.05055	1.7
101.02369	1.1
106.42478	1.4
121.02966	10.2
134.03743	100.0
135.04059	5.2
149.01353	1.6
149.02454	8.8
149.04822	2.1
149.06088	14.4
150.00204	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0608
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11919	0.9
55.17900	0.9
59.01370	1.5
60.38581	0.8
61.04117	0.8
62.47042	0.8
69.34876	1.9
69.35281	6.0
71.01384	0.9
89.02422	2.1
93.03458	1.3
121.02975	5.1
134.03743	100.0
135.04051	3.2
149.02419	3.2
149.04726	0.8
149.06020	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	147.0664
Annotation	(2-Ethoxyethoxy)acetic acid
Peak:m/z	Relative Intensity
50.35881	2.3
52.47982	2.3
57.03447	21.0
59.01364	10.8
61.83570	2.5
63.93695	2.2
68.50343	2.4
69.20819	22.8
71.01365	11.7
72.99290	5.7
73.02940	13.4
75.00887	6.0
80.60325	2.3
84.99306	2.7
85.02956	100.0
85.07050	2.5
99.00877	3.9
100.75911	2.4
101.02448	46.1
101.06081	8.1
103.04021	19.7
119.04984	2.4
129.01990	3.9
135.04451	2.9
147.02911	3.4
147.04588	13.6
147.06641	38.7
160.19446	2.2
160.51012	2.2
160.74382	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0455
Annotation	xylulose
Peak:m/z	Relative Intensity
55.01890	1.8
59.01378	9.8
61.74116	1.0
68.00814	1.1
69.03447	2.7
70.53406	3.7
71.01383	32.9
72.99301	5.9
73.02950	29.5
75.00874	24.6
81.83118	1.1
85.66143	1.1
87.00877	12.7
88.71818	1.1
89.02444	100.0
90.02795	1.4
101.02462	2.1
103.04024	4.8
131.03523	11.5
149.02603	1.5
149.04555	36.0
150.04831	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47997	0.8
59.01368	1.5
66.39092	0.8
69.65125	1.2
69.65500	4.8
69.80659	0.7
71.01383	1.4
71.26359	0.8
71.31622	0.8
75.00869	0.9
77.52474	0.7
84.04569	0.7
85.02958	1.5
89.14536	0.8
98.20604	1.6
100.04000	0.8
102.05609	100.0
103.05943	2.4
104.08022	0.8
128.02582	1.6
128.03546	33.1
129.03963	1.2
146.04594	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	147.0301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	3.6
59.01381	32.4
61.64092	2.4
68.77845	2.2
71.01385	16.6
72.99331	4.1
73.00821	2.4
75.00878	11.2
84.28233	2.2
85.02955	4.5
87.00842	3.3
89.02447	4.2
99.00866	5.7
102.05615	33.7
103.05332	7.5
103.05945	100.0
104.06049	6.7
104.70908	2.3
129.01973	2.9
129.03062	3.0
129.03908	46.5
130.03978	4.9
147.03011	4.3
147.04965	18.4
148.05058	2.7
153.00729	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0453
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17346	1.6
57.03449	17.4
59.01382	3.6
71.01385	4.8
72.98889	2.9
72.99307	60.7
73.02940	10.1
75.00906	1.4
85.02953	100.0
86.03313	2.3
101.02448	5.8
103.04019	7.2
103.05557	4.6
111.35969	1.5
119.05047	7.2
129.01945	21.3
130.02263	1.3
135.04491	1.9
147.01987	2.3
147.03008	21.0
147.04520	18.8
147.06470	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0143
Annotation	5-Hydroxy-2,4-dioxopentanoate
Peak:m/z	Relative Intensity
55.01872	11.1
57.03444	13.8
58.00516	4.9
59.01375	24.7
64.37634	4.0
65.42480	5.0
69.56896	30.5
71.01380	73.3
72.94569	4.3
72.99311	18.2
73.02937	13.6
82.02978	5.9
83.01382	23.5
85.02971	4.3
87.00864	36.7
99.00870	6.8
101.02426	51.9
102.05606	100.0
115.00381	37.3
127.00388	17.5
127.05103	7.2
128.03549	39.4
134.68318	5.1
144.96494	49.4
145.00359	5.0
145.01424	20.2
145.09850	5.1
146.04553	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	145.0508
Annotation	Adipic acid
Peak:m/z	Relative Intensity
52.42297	1.1
69.85084	6.7
71.01365	2.1
79.84290	1.5
81.03449	21.7
83.05027	100.0
84.05344	2.3
87.00882	1.5
98.20064	2.2
98.20563	1.9
101.06081	86.9
102.05594	4.0
102.06393	2.7
117.03462	3.4
118.02956	2.1
127.03983	3.7
128.03523	1.3
129.60330	1.3
130.49724	1.4
145.02971	2.3
145.04025	2.0
145.05034	22.0
146.02473	3.5
157.82487	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0871
Annotation	2-Hydroxyheptanoic acid
Peak:m/z	Relative Intensity
52.77814	0.7
55.01835	0.8
55.88380	0.8
62.40574	0.7
68.98324	0.7
70.78148	2.3
71.01355	1.0
83.05028	4.2
97.06592	2.6
99.08156	100.0
100.08487	3.5
101.06087	0.8
106.82828	0.9
117.03469	26.0
118.03825	1.1
127.07666	2.1
143.07132	1.4
145.02991	11.0
145.07523	1.8
145.08698	37.9
146.02412	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	146.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	3.1
59.01383	4.7
69.56119	5.4
70.42737	0.9
71.01397	4.7
71.39630	0.7
72.99282	1.0
74.02471	1.6
75.00853	1.8
84.04553	1.2
85.02954	9.6
87.00880	8.4
94.47262	0.8
98.20558	1.3
101.02435	2.3
102.05610	100.0
103.04011	1.5
103.05959	2.2
119.05032	1.6
128.03539	31.7
129.01944	3.1
129.03941	1.3
131.83517	0.7
146.04584	13.1
147.02977	2.8
147.04491	1.8
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
53.00085	3.9
53.00307	24.1
56.99266	2.8
59.01367	13.1
68.99809	9.5
69.03461	4.4
70.34691	5.7
70.35075	6.7
71.01376	63.6
72.99293	5.0
79.66042	3.0
80.99799	6.9
83.01389	7.5
85.02950	10.6
87.00893	16.3
96.99321	24.4
97.02940	4.7
112.98823	33.1
115.00367	9.0
124.98806	75.8
125.02452	4.3
125.99065	3.3
140.98311	10.5
142.99854	100.0
143.03473	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	145.0143
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	3.6
59.01388	8.4
65.55750	1.7
69.56072	1.9
71.01392	15.5
71.09395	3.0
72.99322	2.6
73.02930	3.1
74.02480	2.7
83.01373	4.2
83.05009	2.4
84.04547	2.0
87.00888	10.6
101.02441	15.3
101.06084	1.8
102.05610	100.0
109.04089	2.4
115.00362	9.4
117.03469	6.3
127.00353	5.1
127.05115	4.3
128.03554	37.0
144.96463	14.7
145.01442	4.9
145.02948	15.0
145.04988	3.7
145.06085	2.2
146.04597	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	145.0142
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56496	3.2
54.15576	2.9
57.03442	14.3
59.02857	3.4
65.02394	3.4
67.57455	3.6
68.68810	3.1
69.29303	30.3
71.01366	9.9
71.20350	3.3
73.02938	10.0
74.02470	6.2
83.01387	4.5
83.06792	3.1
87.00864	5.7
91.25808	3.3
98.19900	5.9
101.02440	44.4
102.05609	100.0
103.97824	3.3
119.78796	4.1
127.00356	4.4
127.05135	8.7
128.03554	41.2
145.01422	4.5
145.06209	6.8
146.04584	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	138.0561
Annotation	Antibiotic P 3355
Peak:m/z	Relative Intensity
51.83883	1.9
51.85422	1.6
55.01872	6.4
56.61002	1.9
61.98835	2.4
66.03478	2.7
66.61411	1.6
67.01876	8.8
68.99833	3.3
70.71166	2.2
70.71503	3.5
71.21546	1.8
78.95924	1.9
79.95778	2.4
81.03441	3.4
83.01389	5.7
83.05029	3.0
84.45547	1.7
85.25677	1.6
87.79431	1.6
92.05049	22.2
93.03479	9.2
93.05386	2.4
93.48896	1.9
94.02987	17.4
94.03792	21.7
95.01380	5.0
95.03875	1.9
95.05003	2.5
108.02174	11.6
108.03812	4.2
108.04557	81.2
109.04861	4.1
110.02486	2.8
110.06149	2.4
111.00877	30.8
111.04532	2.5
120.04559	22.7
121.02991	2.8
122.02482	8.1
123.00877	8.3
123.03255	5.8
124.01656	6.5
136.04073	3.1
137.89139	4.8
138.01917	20.4
138.02916	8.9
138.05608	100.0
139.00351	13.5
139.03999	11.6
139.05930	3.9
150.51407	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0562
Annotation	Myrothenone B
Peak:m/z	Relative Intensity
54.96401	0.9
62.56860	0.9
69.55641	5.1
101.14686	1.0
122.02503	1.7
123.03268	69.8
124.03609	2.3
136.04060	1.4
138.05612	100.0
139.06006	5.4
155.02237	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0561
Annotation	5-(Methoxymethyl)-1H-pyrrole-2-carbaldehyde
Peak:m/z	Relative Intensity
63.59977	0.7
69.71304	3.7
69.71716	1.1
89.32909	0.7
94.03781	1.8
94.75642	0.7
103.95957	0.8
108.02181	1.7
111.00872	1.5
113.79230	0.7
122.02479	1.3
123.03265	72.6
124.03621	2.6
134.77089	0.8
138.01955	3.5
138.05611	100.0
139.00412	1.1
139.05978	4.2
140.51312	0.7
142.83257	0.7
154.64232	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.9986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00308	22.1
57.03424	3.6
59.01377	13.5
68.99813	10.1
69.03443	9.1
71.01005	5.4
71.01381	73.6
71.05005	3.4
71.37738	3.3
72.99303	4.9
73.02944	2.8
79.00028	5.6
80.99815	6.0
81.03463	8.2
82.02979	3.0
83.01413	3.4
85.02938	24.3
87.00877	26.3
96.99316	27.6
97.02939	8.5
99.04515	10.7
111.00880	4.3
112.98806	41.5
113.02477	3.3
115.00376	8.4
115.03970	4.6
124.98813	81.7
125.02413	10.9
140.98320	14.4
142.99860	100.0
143.03505	12.1
144.00102	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	138.0561
Annotation	1,2,3,6-tetradehydro-propylproline
Peak:m/z	Relative Intensity
55.01864	2.9
67.01875	3.3
68.99783	1.2
71.26411	1.1
79.95735	2.2
83.01392	2.6
90.56200	1.2
93.03461	3.9
94.02979	2.2
94.03793	14.4
94.98061	1.6
95.01394	2.4
95.05058	2.2
108.02174	74.7
109.02464	1.6
111.00882	16.2
123.03265	44.1
124.01669	2.1
124.03631	2.2
133.61748	1.0
138.01959	100.0
138.02792	6.6
138.05606	68.7
138.06448	1.4
139.00412	8.3
139.02299	4.6
139.04022	4.0
139.05951	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	135.0453
Annotation	Unknow
Peak:m/z	Relative Intensity
69.14547	1.2
69.55785	8.7
79.05518	2.5
91.05521	11.5
93.03487	7.2
95.05018	1.8
101.76038	1.4
104.25880	1.6
106.04233	4.1
107.05029	49.9
108.05368	3.1
117.03482	2.1
119.57109	1.5
123.04515	1.4
134.03745	17.9
134.89436	2.5
135.04524	100.0
136.04874	4.9
140.05409	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0453
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52788	1.1
54.77963	1.3
78.27432	1.3
79.05520	1.3
86.47704	1.3
89.03984	1.6
91.05534	13.5
93.03471	10.0
95.04996	1.7
97.42855	1.4
98.19960	3.9
106.04234	3.1
107.05029	56.0
108.05350	2.2
121.02830	1.5
134.03752	19.5
134.89502	3.3
135.04527	100.0
136.04868	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	135.0453
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
71.03167	1.1
71.03491	0.7
75.00898	1.6
79.05540	0.7
90.52414	0.7
91.05538	4.6
93.03469	3.4
106.04255	2.7
107.05032	21.9
108.05371	1.4
117.03491	1.2
121.02956	16.9
134.03738	24.2
134.89445	1.5
135.04527	100.0
136.04990	4.5
137.36603	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92686	0.3
54.40909	0.3
60.22792	0.3
65.03955	0.6
70.51943	0.8
71.43302	0.3
81.03458	3.4
91.01895	0.9
93.03460	7.2
94.03793	0.4
103.42090	0.3
108.02177	5.0
109.02969	4.8
119.01375	2.0
136.01662	12.7
136.89174	0.4
137.02443	100.0
138.02809	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	137.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00613	0.3
56.21854	0.3
65.03980	0.7
69.97438	0.6
69.97831	0.8
78.69896	0.3
81.03462	3.6
91.01903	1.2
93.03455	4.6
95.01366	0.4
108.02180	5.3
109.02969	4.0
118.80405	0.3
119.01393	2.0
136.01663	11.9
137.02446	100.0
138.02765	4.5
140.03711	0.3
144.90025	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0453
Annotation	Unknow
Peak:m/z	Relative Intensity
69.46429	10.9
79.05530	2.4
80.30836	1.7
81.03478	2.6
81.54351	1.5
91.05537	21.4
93.03452	8.9
98.19802	2.4
100.51981	1.6
104.69974	1.7
106.04260	4.6
107.05032	81.2
108.05408	3.0
117.03484	2.3
134.03761	12.4
134.86510	1.6
134.89503	4.7
135.04527	100.0
136.04884	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	135.0453
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41973	1.4
60.38567	1.3
65.24783	1.4
70.64995	3.1
79.05527	4.1
81.03454	1.5
86.23502	1.5
89.03980	1.6
91.05534	24.3
93.03447	7.9
95.05014	2.4
106.04270	7.2
107.05032	90.2
108.05353	4.0
116.44375	1.6
117.03451	1.7
134.03748	17.0
134.89497	5.3
135.04529	100.0
136.04846	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	134.0474
Annotation	Unknow
Peak:m/z	Relative Intensity
60.39803	0.3
63.63113	0.4
64.83011	0.3
65.01446	1.1
65.50838	0.3
68.02547	0.5
71.49879	0.4
73.57645	0.3
80.02538	0.6
92.02546	10.0
100.13509	0.3
107.03638	35.2
108.03312	0.4
108.03996	0.8
114.46043	0.4
124.37450	0.3
133.20108	0.3
134.04729	100.0
135.04417	1.3
135.05107	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	135.0301
Annotation	Threonate
Peak:m/z	Relative Intensity
56.60387	0.7
58.61760	0.7
59.01376	9.5
60.11865	0.8
71.01371	4.6
71.21727	1.9
72.99303	17.6
75.00871	100.0
76.01185	1.2
89.02440	7.3
99.92521	0.7
117.01931	2.6
117.50085	0.7
134.03719	1.1
134.89496	5.5
134.90437	1.2
134.91599	3.0
135.02997	23.0
135.04500	5.6
136.94046	0.9
145.32068	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0301
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60387	0.7
58.61760	0.7
59.01376	9.5
60.11865	0.8
71.01371	4.6
71.21727	1.9
72.99303	17.6
75.00871	100.0
76.01185	1.2
89.02440	7.3
99.92521	0.7
117.01931	2.6
117.50085	0.7
134.03719	1.1
134.89496	5.5
134.90437	1.2
134.91599	3.0
135.02997	23.0
135.04500	5.6
136.94046	0.9
145.32068	0.8
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
59.01381	1.7
62.21930	0.8
70.69164	0.9
71.01382	80.1
72.01727	1.0
72.99310	18.4
76.83326	0.8
87.00885	1.4
89.02448	7.3
105.03486	1.2
115.00371	100.0
116.00706	3.3
133.01428	20.4
133.02928	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0375
Annotation	Unknow
Peak:m/z	Relative Intensity
59.20363	3.6
73.49235	3.9
75.00860	10.2
89.63581	3.4
98.19898	13.1
106.04268	3.9
107.08282	4.2
116.00756	9.4
133.02998	5.9
134.03781	100.0
134.04713	6.5
134.89465	16.8
135.04559	52.5
149.89310	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	134.0375
Annotation	Unknow
Peak:m/z	Relative Intensity
59.20363	3.6
73.49235	3.9
75.00860	10.2
89.63581	3.4
98.19898	13.1
106.04268	3.9
107.08282	4.2
116.00756	9.4
133.02998	5.9
134.03781	100.0
134.04713	6.5
134.89465	16.8
135.04559	52.5
149.89310	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	133.0143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	1.1
70.87997	1.9
71.01381	75.3
72.01733	1.2
72.99308	19.5
82.38942	0.9
87.00869	1.5
89.02448	7.1
95.04987	1.1
105.03468	1.5
115.00371	100.0
116.00749	1.9
129.41415	0.9
131.14218	0.8
133.01427	19.2
133.02963	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	133.0144
Annotation	Malic acid
Peak:m/z	Relative Intensity
50.96217	0.7
59.01382	1.4
61.27330	0.6
69.60089	5.0
71.01381	82.2
72.01726	0.9
72.99306	20.7
77.03943	1.8
87.00865	1.4
89.02441	7.9
95.05032	1.7
98.20542	1.4
105.03467	6.2
115.00374	100.0
116.00731	2.6
132.02197	1.2
133.01434	20.1
133.02957	5.8
148.18845	0.8
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
59.01373	2.0
64.49889	1.2
69.03173	1.0
69.43324	7.6
71.01382	72.4
72.99313	18.0
77.03984	1.5
87.00880	3.1
89.02458	9.4
89.03985	1.3
95.05022	1.1
96.16435	0.9
105.03477	4.3
115.00375	100.0
116.00718	3.6
120.12498	1.0
133.01433	21.9
133.02945	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	133.0144
Annotation	Malic acid
Peak:m/z	Relative Intensity
57.24077	0.8
59.01372	1.8
59.86382	0.8
69.51912	2.9
69.52349	3.1
71.01382	84.2
72.01719	1.5
72.99304	20.5
87.00888	2.0
89.02458	8.8
106.39932	0.8
115.00376	100.0
116.00704	3.9
120.87278	0.9
133.01430	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	130.0874
Annotation	L-Alloisoleucine
Peak:m/z	Relative Intensity
50.63048	0.9
54.98557	0.8
57.03444	1.2
57.61853	1.0
70.70504	2.5
85.02931	5.3
97.12411	0.9
130.08739	100.0
131.03490	2.0
131.09126	4.1
146.24225	0.8
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	Malic acid
Peak:m/z	Relative Intensity
59.01351	1.4
71.01383	71.2
71.21413	1.8
72.01724	1.2
72.99311	18.1
73.44337	0.9
77.03966	1.9
77.90475	1.0
82.46162	0.9
87.00871	1.9
89.02451	6.5
95.05009	2.5
105.03455	6.4
107.03619	3.8
115.00375	100.0
116.00707	3.4
132.86662	1.9
133.01430	19.4
133.02950	8.2
134.01735	1.1
134.04721	15.0
145.67351	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0143
Annotation	Malic acid
Peak:m/z	Relative Intensity
59.01385	1.4
71.01382	72.4
72.01734	1.2
72.24808	1.1
72.99309	18.7
75.78949	0.8
87.00896	1.3
89.02438	8.5
93.58055	0.9
109.14042	0.8
115.00375	100.0
116.00701	2.7
133.01428	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	129.0195
Annotation	2-Methylmaleate
Peak:m/z	Relative Intensity
55.01877	1.7
57.03446	8.5
58.02951	1.0
58.83778	0.8
59.01382	1.1
67.01894	17.9
68.99814	4.0
70.66412	1.9
71.01386	3.6
71.29295	0.7
72.99300	1.7
73.02946	1.1
73.42058	0.7
83.01387	1.0
83.04988	0.8
85.02952	25.3
87.00847	1.2
88.04033	5.0
93.42619	0.7
99.00869	1.1
101.02455	3.4
111.00893	0.8
128.90189	2.4
129.01939	7.1
129.03914	2.2
130.08740	100.0
145.25536	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0558
Annotation	3-Methyl-2-oxopentanoate
Peak:m/z	Relative Intensity
55.01879	7.6
57.03448	5.7
61.88409	2.5
62.57150	2.8
64.17446	2.7
67.01908	4.5
69.55033	8.1
69.55462	11.3
83.05032	19.1
85.02954	13.6
85.06586	100.0
86.06931	3.8
98.20416	8.8
105.94513	3.3
111.04513	31.7
128.90169	16.1
129.01950	3.9
129.05577	36.4
130.08734	6.7
142.63275	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	129.0559
Annotation	4-Methyl-2-oxopentanoate
Peak:m/z	Relative Intensity
52.71786	2.4
55.01877	6.2
57.03447	27.1
57.04944	2.7
59.01378	48.1
67.01888	32.0
68.99814	6.3
69.03427	2.8
71.01375	5.4
71.49871	4.1
72.99308	100.0
83.01380	3.5
83.05029	58.1
85.02952	41.0
85.06597	26.5
87.00881	3.3
96.99361	3.3
98.03691	2.7
101.02450	6.8
111.04530	27.4
128.95250	3.2
129.01947	25.0
129.05588	32.4
130.08722	10.7
142.14870	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	121.066
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
58.99608	1.9
65.03958	5.9
69.03459	6.4
71.50188	2.6
80.02649	2.4
87.85889	2.0
87.99252	1.8
93.03465	73.5
93.07125	3.1
94.03015	9.9
94.03798	4.1
103.05563	2.8
106.04276	10.5
108.02141	2.5
119.05031	23.4
120.05412	2.7
121.02964	100.0
121.06600	81.8
122.02471	5.5
122.03304	5.7
122.06953	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	1197.749
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01379	3.2
83.05028	8.0
85.02950	12.0
87.00870	4.7
87.04514	2.7
89.02444	29.4
95.01388	4.9
97.02961	1.1
99.00881	3.0
101.02443	29.6
101.06088	5.0
110.63863	0.4
111.00845	0.9
112.01648	0.7
113.02453	29.8
114.02770	0.6
115.04008	0.6
119.03503	20.0
120.03898	0.4
125.02415	2.2
125.07196	0.5
126.05587	0.5
131.03485	3.4
135.11794	0.6
143.03494	9.9
147.11803	2.8
149.04549	4.0
154.24022	0.5
161.04558	16.3
178.04823	0.6
179.05606	53.1
180.05902	0.7
183.01166	1.5
197.02783	0.7
203.05656	0.6
207.14975	0.7
211.84065	0.4
221.06676	1.1
224.17691	1.1
225.16090	9.4
242.18596	0.6
253.05115	0.5
253.17972	0.8
271.02533	0.8
271.06116	1.5
271.19186	2.2
281.02493	0.4
281.22699	0.4
299.02136	0.5
309.21890	0.8
314.04239	0.7
315.04733	0.4
324.26459	0.5
339.16525	0.6
355.21216	7.9
355.47708	0.4
356.21332	0.9
357.17538	0.6
367.21292	1.0
367.27307	1.1
373.22330	1.1
379.21222	2.0
385.22379	0.7
397.22305	7.8
398.22363	0.7
415.23373	58.5
416.23846	3.2
433.24423	25.3
433.30765	1.2
434.24701	1.9
450.34549	1.3
451.32953	8.5
452.33347	0.6
457.24545	0.6
459.63046	0.4
475.25500	36.9
476.26080	2.3
519.11462	1.7
519.22675	11.2
520.23853	0.8
525.42700	0.4
550.43365	1.1
565.45135	0.5
593.43512	0.6
659.48792	3.1
677.49677	100.0
678.49963	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	119.0503
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
59.01372	0.5
65.03968	0.4
69.23326	2.0
72.99355	0.2
79.43742	0.2
89.22978	0.2
91.05537	1.7
91.63640	0.2
93.03458	5.7
94.03776	0.3
101.92429	0.4
102.38021	0.2
104.02711	0.5
109.31640	0.2
117.03455	0.8
118.92616	1.1
119.05026	100.0
120.05358	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	1193.335
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01389	0.5
93.03455	0.7
95.01337	0.2
101.02512	0.2
107.01383	2.0
108.02206	0.2
109.02931	0.2
109.44224	0.2
117.03458	4.4
119.01351	0.2
119.05019	2.7
125.02438	0.6
127.04036	0.3
130.04245	0.2
132.02182	0.7
133.01372	0.3
135.00858	0.9
143.05019	0.4
145.02953	9.7
146.03223	0.4
150.99179	0.4
151.00365	4.8
154.04266	0.3
155.05034	0.3
157.06578	0.2
159.04488	0.5
161.06076	0.6
163.00357	1.2
163.03976	1.8
164.01138	0.6
167.05020	0.3
169.01346	0.3
169.06572	0.5
171.04503	0.6
173.06062	0.2
176.34538	0.2
177.05466	0.2
178.99837	1.6
182.03754	0.4
183.04503	2.1
185.02396	0.8
185.06050	0.7
187.04033	1.2
189.05585	0.4
190.99988	0.3
192.00476	0.2
196.05151	0.3
197.05957	0.3
199.03961	0.5
200.04727	0.5
201.05428	0.2
205.05006	0.7
211.03995	3.0
212.04709	0.5
213.01878	0.4
213.05524	0.7
215.03496	0.3
217.01068	0.2
225.05566	0.2
226.02744	0.2
227.03484	31.7
228.03966	1.3
229.05017	2.1
229.31723	0.2
235.06116	0.2
239.03471	1.3
240.04208	0.5
241.05026	0.9
255.02969	62.0
256.03622	6.3
257.04587	2.5
265.07245	0.5
267.02805	0.3
268.03888	0.2
269.04510	0.8
283.02481	7.9
284.03244	69.4
285.03976	24.6
286.04361	1.1
295.06024	0.3
307.08124	0.6
311.05389	0.2
313.03595	0.2
323.05576	0.5
327.05286	0.3
339.05167	1.0
351.05011	1.0
351.08768	0.3
367.08234	0.5
369.06079	0.6
377.06650	0.4
395.07510	1.0
413.08847	1.2
575.13879	0.8
593.15021	1.1
737.19128	0.6
739.18225	0.2
755.20435	4.9
756.20392	0.5
883.23035	2.0
901.24060	17.6
902.24078	1.8
1047.27710	100.0
1048.27966	14.6
1049.28052	0.4
1121.18896	0.2
1193.33484	1.1
1194.34680	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0503
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
54.24038	0.7
59.01376	4.3
65.03956	0.8
70.91402	1.7
71.01380	3.4
72.99304	1.2
73.02943	2.1
75.03360	1.5
75.90057	0.8
80.76357	0.5
91.05524	0.7
93.03458	5.0
109.64853	0.7
111.55463	0.6
117.03460	0.7
118.92645	1.7
119.05027	100.0
120.00046	0.6
120.05338	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	119.0503
Annotation	Unknow
Peak:m/z	Relative Intensity
69.19067	6.4
69.19408	1.1
80.56984	0.6
91.05552	1.4
93.03461	4.3
94.31531	0.6
98.20669	1.5
105.87699	0.6
117.03501	0.8
117.54784	0.6
119.05029	100.0
120.05354	4.4
124.02931	0.6
134.60728	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0503
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
68.32849	1.0
69.23644	8.2
69.24048	1.8
73.83860	1.3
78.19652	0.9
87.38454	0.9
91.05559	1.6
93.03454	4.4
119.05028	100.0
120.05359	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	1189.5814
Annotation	Unknow
Peak:m/z	Relative Intensity
82.02977	2.2
85.02946	0.3
87.00841	0.2
89.02460	0.3
92.05076	0.2
94.02996	0.2
96.04550	0.2
96.96008	0.2
101.02443	0.7
108.04556	0.5
110.06111	0.3
112.01641	0.2
112.04066	0.6
113.02474	0.5
120.04544	1.6
121.04076	0.3
121.06570	0.2
122.02473	0.3
122.06107	0.3
123.66337	0.2
129.05533	0.4
131.03540	0.2
134.06084	0.3
136.04037	0.2
136.07678	1.2
138.05603	0.6
139.02759	0.3
146.02515	0.3
146.04842	0.2
146.06075	0.3
147.03256	1.0
147.04405	0.3
148.04042	9.4
149.04822	3.9
150.05600	11.3
150.09227	2.9
154.05104	1.6
155.05701	0.2
158.06131	0.3
160.04031	1.2
161.04825	4.0
161.07132	0.4
162.05592	1.5
163.02763	1.3
164.03532	4.0
164.07150	0.2
172.04074	0.2
172.07689	0.3
173.03552	4.8
173.04811	0.4
173.07143	0.2
174.04327	12.9
174.05609	1.3
174.09236	0.3
175.02734	0.5
175.05070	3.2
175.06409	2.1
176.03561	0.3
176.05913	0.5
176.07243	0.2
176.10783	0.4
177.06673	0.4
179.05573	0.5
186.05600	0.7
187.06375	1.8
188.05779	0.2
188.07213	0.9
189.06664	6.1
189.10306	0.3
190.05125	0.5
190.07469	15.9
191.05885	0.7
191.08173	1.4
198.84433	0.2
199.07614	0.5
200.07112	1.5
201.07951	2.2
202.03781	0.4
202.07436	1.8
202.08794	1.4
203.05859	0.7
203.08215	1.1
204.06728	0.2
204.10312	0.2
207.05392	0.3
213.06654	0.8
213.10364	0.9
214.05135	0.3
214.07281	0.3
214.11029	1.7
215.05942	0.5
215.08237	1.5
215.11803	1.4
216.06931	0.8
216.10277	0.3
217.07430	1.6
217.09779	1.4
218.10475	0.2
219.11288	0.3
221.06715	0.3
224.07249	0.3
225.08041	0.2
226.05330	0.2
226.08832	0.3
227.06047	0.2
227.09468	0.8
228.06706	1.3
229.07460	0.4
230.10620	0.5
231.07726	11.4
232.08511	23.3
233.06960	0.2
233.09224	3.6
239.08206	0.3
240.09012	0.4
241.09807	3.9
242.08217	2.0
242.10577	1.4
243.07436	2.5
243.11543	0.2
244.08241	6.7
244.56325	0.2
245.06876	0.7
245.09279	2.7
246.07683	0.7
247.08453	0.6
255.07707	0.3
259.10886	1.4
260.11560	0.2
261.08871	0.9
261.12076	0.2
262.09628	1.6
263.07681	0.3
263.10364	0.5
267.07819	1.1
268.08548	1.4
269.09222	0.5
271.08435	0.6
283.07318	0.2
283.10632	0.3
285.08774	2.9
286.07190	0.4
286.09619	6.9
287.07635	0.4
287.10629	0.8
288.08615	0.3
289.09644	0.7
297.12411	0.2
299.14005	7.3
300.14337	0.3
303.09894	3.2
304.10550	1.7
305.11426	0.3
318.12442	0.2
318.16049	0.3
324.13495	3.5
325.11670	0.9
337.06848	0.2
337.10550	1.0
338.11261	0.3
340.16583	0.6
352.16348	0.3
353.15128	1.0
364.16364	0.2
372.17148	0.4
375.17044	0.5
377.13574	0.4
378.60300	0.2
382.17709	11.7
383.17987	0.7
393.18130	1.0
394.17673	3.1
395.15891	0.7
407.14771	0.2
412.18738	2.1
418.17700	1.0
436.18738	5.7
437.17160	2.0
438.16577	0.2
449.15775	0.8
454.19818	39.1
455.20090	2.2
455.35184	0.3
466.16287	0.3
467.16910	2.2
467.30304	0.2
468.19968	0.6
480.17847	0.3
487.19547	0.6
512.21265	0.2
545.23993	2.0
546.24335	0.2
552.81598	0.2
557.23761	0.4
573.26483	0.3
575.25092	0.8
599.25159	4.3
600.25647	0.3
617.26111	100.0
618.26392	8.6
618.41669	0.3
619.26538	0.4
779.46051	0.4
1145.56348	1.0
1146.56860	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1187.476
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01382	4.8
83.01821	0.3
85.02946	4.5
86.00098	0.5
87.00879	2.1
89.02446	2.3
95.01404	0.9
97.02959	1.0
99.00857	1.3
99.04577	0.3
101.02441	20.8
102.02830	0.3
111.00918	0.3
113.02451	11.2
119.03477	3.1
125.02445	3.5
127.03988	0.3
131.03510	4.7
143.03500	5.4
144.25664	0.3
144.50162	0.3
147.02983	0.2
149.04547	5.1
155.03481	1.6
159.03023	0.5
161.04547	12.9
171.73857	0.3
179.05621	2.5
185.04567	0.8
203.05594	9.7
221.06647	21.5
222.07034	0.6
245.06662	0.5
263.07706	16.3
264.07941	0.4
287.07684	0.6
305.08768	33.6
306.09171	1.7
323.09784	2.2
347.09778	1.8
355.26773	0.3
365.10950	0.8
383.12323	0.3
383.29407	2.0
384.29599	0.3
397.30920	0.4
407.12054	1.6
425.13007	2.1
425.30566	4.8
443.31635	100.0
444.31979	9.9
457.33267	2.4
485.32712	34.8
486.32990	3.8
497.32007	0.4
499.34537	0.4
515.33746	2.0
527.33746	1.0
545.34845	0.6
557.34595	0.5
569.35266	0.3
587.35962	4.9
588.36469	0.4
605.37152	0.4
629.37000	4.4
630.37366	0.7
647.37903	5.2
648.37958	0.8
671.37842	1.6
689.39020	39.6
690.39410	6.1
731.40100	3.2
732.40442	0.4
749.40814	0.5
773.41174	0.8
791.42163	3.6
792.42035	0.6
809.43054	3.2
833.42511	1.7
851.44250	7.8
852.44745	1.0
893.45105	0.5
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	Formylpyruvate
Peak:m/z	Relative Intensity
55.72457	2.2
61.75165	3.0
69.72211	11.1
69.72605	4.9
71.01384	100.0
71.05001	4.5
83.54809	2.3
97.93136	6.0
98.20664	3.1
114.93410	10.5
115.00346	7.3
116.07169	5.4
118.38034	2.2
131.96054	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	117.0195
Annotation	Succinic acid
Peak:m/z	Relative Intensity
55.01860	0.6
57.53436	0.4
58.75565	0.4
59.01347	0.4
69.66750	0.4
70.71692	0.6
70.72027	0.7
71.01395	0.5
73.02950	100.0
74.03302	2.4
80.48882	0.4
80.68933	0.4
83.98510	0.4
86.80824	0.4
99.00888	9.0
99.92591	2.9
100.92622	0.7
116.92864	6.3
117.01949	13.1
117.92910	0.8
118.02285	0.9
122.82806	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1186.4647
Annotation	Unknow
Peak:m/z	Relative Intensity
82.02987	2.7
94.03039	0.3
96.04536	0.4
98.21870	0.2
108.04570	0.8
110.02467	0.3
110.06114	0.3
112.04041	0.8
120.04536	1.7
121.04075	0.3
122.06145	0.6
124.04050	0.4
129.05525	0.5
132.04518	0.3
134.06131	0.4
135.03259	0.4
136.07721	1.2
138.01953	0.3
138.05592	0.8
139.02702	0.4
146.02432	0.3
146.04890	0.4
146.06102	0.3
147.03267	1.4
148.04050	13.0
149.04832	5.2
150.05605	14.2
150.09235	2.9
151.05907	0.5
152.03494	0.4
154.05103	1.5
158.06111	0.3
160.04039	1.9
161.04843	4.4
161.07117	0.5
162.05629	1.4
163.02774	1.5
164.03545	4.4
164.07144	0.2
167.05850	0.2
172.04037	0.4
172.07684	0.3
173.03546	5.6
173.04813	0.7
173.07225	0.4
174.04327	16.4
174.05585	1.2
174.09206	0.3
175.02689	0.6
175.05083	3.9
175.06415	3.1
176.03540	0.3
176.05818	0.6
176.10667	0.2
177.06703	0.6
186.05576	1.4
187.06393	2.0
188.05695	0.4
188.07278	1.3
189.06683	9.3
189.10353	0.4
190.05199	0.8
190.07465	19.8
191.05922	0.6
191.08174	2.1
192.06699	0.3
199.07645	0.5
200.07095	1.8
201.07941	2.8
202.03738	0.3
202.07195	2.6
202.08833	1.2
203.04268	0.3
203.05885	1.1
203.07983	1.1
204.06673	0.4
204.10339	0.2
213.06680	1.0
213.10316	1.3
214.05177	0.3
214.11092	2.1
215.06145	0.4
215.08099	1.2
215.11935	0.3
216.06660	0.9
216.10318	0.3
217.07401	1.7
217.09763	1.7
218.08195	0.3
218.10577	0.3
219.11449	0.3
224.07097	0.6
225.08023	0.3
225.37482	0.2
227.06036	0.2
227.09663	1.0
228.06731	1.9
229.07419	0.6
230.10526	0.3
231.07738	12.8
232.08508	28.0
233.06859	0.2
233.09233	4.3
235.92769	0.2
241.09828	1.3
242.08202	2.2
242.10626	1.6
243.07767	2.6
243.11440	0.3
244.08269	8.2
245.06883	0.8
245.09294	3.1
246.07655	0.9
247.08374	0.6
255.07724	0.4
256.13358	0.2
259.10794	1.2
260.11655	0.2
261.08664	1.0
261.12473	0.2
262.09537	2.1
263.10168	0.3
267.07764	1.1
268.08511	1.6
269.09250	0.5
270.07559	0.3
271.08475	0.5
285.08820	3.4
286.07089	0.6
286.09616	6.6
287.07736	0.7
287.10580	1.2
288.08524	0.3
289.09555	0.9
294.09958	0.3
297.12280	0.3
299.13998	9.1
300.14359	0.4
303.09891	1.2
304.10501	1.2
305.11334	0.5
318.12198	0.3
320.17508	0.2
324.13470	3.9
325.11682	1.0
327.10260	0.2
332.17145	0.2
337.10666	1.0
340.16675	0.8
350.17398	0.2
352.16714	0.4
353.15005	1.2
367.20105	0.2
374.18677	0.3
375.17157	0.4
377.13852	0.4
382.17700	13.3
383.17410	0.7
393.18207	1.2
394.17725	3.5
395.15640	0.7
408.15530	0.3
411.19061	0.3
412.18719	1.6
418.17694	0.9
436.18756	7.1
436.24725	0.4
437.17130	3.2
438.16895	0.3
449.16077	1.2
454.19818	52.2
455.20184	4.8
461.64862	0.2
462.68250	0.2
467.16925	2.9
468.17743	0.4
480.17496	0.6
487.19733	0.7
508.56378	0.2
545.23993	2.8
546.24408	0.4
557.24036	0.6
575.25171	0.9
599.25079	5.9
600.25598	0.8
617.26111	100.0
618.26434	11.4
618.36639	0.5
671.33099	0.3
751.31293	0.3
788.05017	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0038
Annotation	Maleic acid
Peak:m/z	Relative Intensity
59.01379	2.2
67.63911	1.8
71.01381	100.0
72.01742	2.2
87.00874	2.0
97.93109	1.8
99.92582	1.7
111.76041	1.5
114.19884	1.6
114.93419	4.8
115.00370	10.6
115.04020	1.6
115.92104	3.2
116.07194	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	115.0037
Annotation	Maleic acid
Peak:m/z	Relative Intensity
52.73974	1.7
59.01373	4.0
69.68637	4.3
69.69052	5.0
71.01385	100.0
71.05006	3.3
97.01967	1.8
100.19168	2.2
114.93401	3.5
115.00352	18.2
116.07180	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	1147.5341
Annotation	Unknow
Peak:m/z	Relative Intensity
82.02988	2.8
83.01409	0.2
94.02979	0.3
95.20329	0.1
96.04552	0.3
101.02436	0.2
108.04525	0.9
110.06105	0.3
112.04053	0.9
113.02510	0.2
120.04561	1.5
121.04074	0.4
122.02494	0.2
122.06094	0.3
124.04036	0.4
129.05577	0.5
132.04597	0.2
135.03239	0.4
136.04044	0.3
136.07687	1.1
138.05626	0.4
139.02747	0.5
146.02518	0.4
146.06134	0.2
147.03299	1.1
147.04381	0.3
148.04047	11.4
149.04829	5.4
150.05608	13.5
150.09244	1.9
151.05937	0.3
154.05089	1.5
158.06097	0.2
159.05711	0.2
159.08244	0.2
160.04041	1.4
161.04829	4.6
161.07068	0.3
162.05598	1.7
163.02745	1.3
164.03529	4.0
164.07158	0.4
172.07700	0.2
173.03548	5.4
173.04829	0.7
173.06081	0.3
174.04330	15.5
174.05589	1.2
175.02727	0.4
175.05078	4.0
175.06413	2.7
176.05869	0.6
176.10800	0.4
177.06697	0.9
184.98788	0.2
186.05557	1.0
187.06360	1.7
188.07248	1.0
189.06685	8.2
189.10312	0.4
190.07468	18.9
191.05952	0.9
191.08234	1.6
199.07648	0.7
200.07104	2.1
200.75211	0.2
201.07993	2.4
202.03719	0.3
202.07156	2.2
202.08818	1.2
203.04301	0.3
203.05908	0.7
203.08232	1.2
204.06630	0.4
204.10233	0.3
212.07239	0.2
213.04614	0.2
213.06743	0.8
213.10263	1.0
214.05119	0.4
214.07236	0.3
214.11101	1.5
215.05894	0.5
215.08244	1.1
215.11922	0.3
216.06651	0.7
217.05453	0.2
217.07430	2.0
217.09842	1.7
218.10576	0.5
219.11281	0.5
224.07123	0.5
225.08058	0.2
225.10168	0.2
227.09669	0.9
228.06721	1.7
229.07610	0.4
230.10600	0.4
231.07741	11.9
232.08514	25.9
233.06993	0.2
233.09245	3.9
239.08151	0.5
240.08904	0.2
241.07549	0.2
241.09758	1.2
242.08208	2.1
242.10591	1.4
243.07727	2.0
243.11443	0.3
244.08264	8.0
245.06903	0.8
245.09282	3.2
246.07776	0.9
247.08479	0.9
255.07729	0.3
259.10864	0.9
261.08804	0.8
262.09644	1.8
263.10220	0.5
267.07623	0.9
268.08508	1.2
269.09357	0.4
270.07574	0.3
271.08493	0.6
281.12769	0.2
283.07254	0.3
285.08798	2.3
286.07193	0.4
286.09634	6.4
286.12866	0.3
287.07877	0.5
287.10699	1.1
288.08652	0.3
289.09561	0.7
299.14001	8.3
300.14410	0.3
303.09830	1.3
304.10553	1.7
305.11353	0.3
324.13522	3.9
325.11682	1.0
337.10751	0.9
338.11514	0.3
340.16699	1.1
341.15274	0.2
352.16714	0.5
353.15131	1.0
364.16617	0.2
372.16745	0.2
377.13660	0.4
382.17697	12.5
383.17789	0.6
393.18216	1.0
394.17682	3.5
395.16092	0.7
407.14642	0.3
410.20514	0.2
412.18732	1.7
418.17630	1.1
436.18808	6.9
437.17041	2.6
438.17126	0.3
449.16061	0.8
454.19827	46.7
455.20166	3.6
462.20752	0.2
466.97833	0.2
467.16843	2.7
468.17535	0.4
480.17603	0.3
487.19858	0.8
489.35986	0.2
545.24170	3.0
546.24091	0.2
557.24042	0.5
573.26923	0.2
575.25012	1.1
583.99921	0.2
599.25079	5.0
600.25281	0.6
617.26129	100.0
618.26471	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1147.5341
Annotation	Unknow
Peak:m/z	Relative Intensity
82.02988	2.8
83.01409	0.2
94.02979	0.3
95.20329	0.1
96.04552	0.3
101.02436	0.2
108.04525	0.9
110.06105	0.3
112.04053	0.9
113.02510	0.2
120.04561	1.5
121.04074	0.4
122.02494	0.2
122.06094	0.3
124.04036	0.4
129.05577	0.5
132.04597	0.2
135.03239	0.4
136.04044	0.3
136.07687	1.1
138.05626	0.4
139.02747	0.5
146.02518	0.4
146.06134	0.2
147.03299	1.1
147.04381	0.3
148.04047	11.4
149.04829	5.4
150.05608	13.5
150.09244	1.9
151.05937	0.3
154.05089	1.5
158.06097	0.2
159.05711	0.2
159.08244	0.2
160.04041	1.4
161.04829	4.6
161.07068	0.3
162.05598	1.7
163.02745	1.3
164.03529	4.0
164.07158	0.4
172.07700	0.2
173.03548	5.4
173.04829	0.7
173.06081	0.3
174.04330	15.5
174.05589	1.2
175.02727	0.4
175.05078	4.0
175.06413	2.7
176.05869	0.6
176.10800	0.4
177.06697	0.9
184.98788	0.2
186.05557	1.0
187.06360	1.7
188.07248	1.0
189.06685	8.2
189.10312	0.4
190.07468	18.9
191.05952	0.9
191.08234	1.6
199.07648	0.7
200.07104	2.1
200.75211	0.2
201.07993	2.4
202.03719	0.3
202.07156	2.2
202.08818	1.2
203.04301	0.3
203.05908	0.7
203.08232	1.2
204.06630	0.4
204.10233	0.3
212.07239	0.2
213.04614	0.2
213.06743	0.8
213.10263	1.0
214.05119	0.4
214.07236	0.3
214.11101	1.5
215.05894	0.5
215.08244	1.1
215.11922	0.3
216.06651	0.7
217.05453	0.2
217.07430	2.0
217.09842	1.7
218.10576	0.5
219.11281	0.5
224.07123	0.5
225.08058	0.2
225.10168	0.2
227.09669	0.9
228.06721	1.7
229.07610	0.4
230.10600	0.4
231.07741	11.9
232.08514	25.9
233.06993	0.2
233.09245	3.9
239.08151	0.5
240.08904	0.2
241.07549	0.2
241.09758	1.2
242.08208	2.1
242.10591	1.4
243.07727	2.0
243.11443	0.3
244.08264	8.0
245.06903	0.8
245.09282	3.2
246.07776	0.9
247.08479	0.9
255.07729	0.3
259.10864	0.9
261.08804	0.8
262.09644	1.8
263.10220	0.5
267.07623	0.9
268.08508	1.2
269.09357	0.4
270.07574	0.3
271.08493	0.6
281.12769	0.2
283.07254	0.3
285.08798	2.3
286.07193	0.4
286.09634	6.4
286.12866	0.3
287.07877	0.5
287.10699	1.1
288.08652	0.3
289.09561	0.7
299.14001	8.3
300.14410	0.3
303.09830	1.3
304.10553	1.7
305.11353	0.3
324.13522	3.9
325.11682	1.0
337.10751	0.9
338.11514	0.3
340.16699	1.1
341.15274	0.2
352.16714	0.5
353.15131	1.0
364.16617	0.2
372.16745	0.2
377.13660	0.4
382.17697	12.5
383.17789	0.6
393.18216	1.0
394.17682	3.5
395.16092	0.7
407.14642	0.3
410.20514	0.2
412.18732	1.7
418.17630	1.1
436.18808	6.9
437.17041	2.6
438.17126	0.3
449.16061	0.8
454.19827	46.7
455.20166	3.6
462.20752	0.2
466.97833	0.2
467.16843	2.7
468.17535	0.4
480.17603	0.3
487.19858	0.8
489.35986	0.2
545.24170	3.0
546.24091	0.2
557.24042	0.5
573.26923	0.2
575.25012	1.1
583.99921	0.2
599.25079	5.0
600.25281	0.6
617.26129	100.0
618.26471	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1147.5179
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03434	0.8
83.01388	10.6
84.20636	0.4
85.02951	13.2
86.00053	1.2
87.00429	0.3
87.00883	5.8
89.02445	14.4
94.10290	0.4
95.00823	0.4
95.01386	4.0
97.02961	2.8
99.00877	3.2
99.04481	0.4
101.02446	49.4
103.03952	0.5
107.05010	0.6
111.00858	0.7
113.02455	29.5
114.02767	0.4
115.00352	0.5
119.03506	10.8
125.01664	0.5
125.02449	6.2
127.04032	0.8
129.01892	0.4
131.02568	0.6
131.03499	10.6
135.04543	3.6
137.02290	0.5
143.02435	0.6
143.03499	9.6
146.50871	0.4
149.04561	11.0
155.03519	2.5
159.02934	1.7
161.04559	30.8
179.05614	20.2
180.05890	0.4
185.04497	0.7
203.05600	14.1
204.05788	0.5
221.06662	45.5
222.06885	1.0
235.17017	1.0
242.41498	0.4
245.06607	2.0
263.07712	40.7
264.07965	0.6
275.09311	0.5
277.10757	0.4
287.07776	0.7
303.23282	0.5
305.08777	46.7
306.08984	1.5
323.09909	2.0
335.22403	0.5
335.37314	0.4
347.09882	2.6
365.10867	1.7
383.11993	1.2
425.13074	0.5
429.33728	1.0
459.34885	1.4
471.34830	6.4
488.34506	0.6
489.35837	10.7
490.36356	0.7
531.36737	0.9
591.39063	2.4
605.39227	0.5
619.38910	0.5
633.40125	25.6
634.40289	2.2
647.41510	0.8
651.41125	85.2
652.41321	7.6
665.42535	0.9
675.41022	7.9
676.41364	0.8
693.42181	100.0
694.42438	8.3
705.42493	0.8
707.43213	0.6
717.42212	1.6
723.43732	0.7
735.43292	23.9
736.43750	2.1
753.44781	0.5
765.43903	1.1
777.44629	2.4
795.45227	1.3
819.45190	1.3
837.46252	6.0
838.45557	0.6
854.46375	0.6
855.47589	3.9
861.44861	0.5
871.32825	0.5
879.47491	4.7
891.87683	0.5
897.48584	6.0
898.48285	0.8
921.48877	1.0
939.49463	8.3
940.49713	0.9
957.50598	6.9
958.51599	0.5
975.52014	0.9
999.51825	7.5
1000.52264	0.7
1017.52673	5.1
1018.52887	0.7
1059.54224	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	1147.5185
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03487	0.5
83.01378	3.2
85.02954	12.3
85.03469	0.8
86.00105	0.9
87.00880	6.0
89.02445	26.1
95.01395	4.5
97.02964	1.3
99.00873	2.1
101.02447	28.5
107.03570	0.5
111.00835	0.4
113.02453	28.9
119.03503	12.6
122.38132	0.4
122.92093	0.4
125.02453	4.0
125.09696	1.1
127.11339	0.5
131.03503	8.0
143.02431	0.6
143.03508	10.1
149.04573	3.9
155.03484	0.7
157.12323	0.6
159.02974	1.2
161.04555	24.2
171.10271	1.7
179.05609	50.8
180.05965	0.7
185.04567	0.5
203.05586	3.4
221.06664	34.3
222.06927	0.6
235.17110	0.5
245.06563	0.9
263.07712	46.1
264.08127	0.9
281.08780	1.7
303.23318	0.5
305.08786	13.8
305.12228	0.8
311.22348	0.8
323.09674	1.1
329.23315	25.8
330.23657	10.6
331.19226	0.4
331.24722	1.9
347.09650	0.5
356.15405	0.4
359.18182	0.8
365.10849	1.7
371.24423	0.6
383.11966	1.6
396.14716	0.4
459.34692	0.5
471.34830	3.1
489.35776	5.8
489.42303	0.5
531.00629	0.5
591.38953	1.0
621.40051	0.5
633.29401	0.9
633.40076	28.5
634.40240	3.2
651.41089	44.2
652.41400	3.2
665.42920	0.6
675.41101	5.4
676.41058	0.6
693.42169	100.0
694.42517	10.6
705.42474	0.6
717.42572	0.8
723.42413	0.5
735.43280	13.4
736.43060	1.9
747.43353	0.9
765.44330	1.3
777.43469	0.5
795.46002	1.1
837.46655	5.0
838.46289	0.6
855.47443	3.0
856.48444	0.5
879.46967	0.7
897.48590	5.4
898.48785	0.9
939.49341	2.6
957.50311	1.8
999.51892	6.6
1000.52374	1.6
1017.52594	3.9
1018.52411	0.9
1059.54236	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	1147.5169
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03417	0.6
83.01386	12.9
85.02951	13.8
86.00076	1.1
87.00873	6.9
89.02441	14.9
95.01378	3.9
97.02946	3.2
99.00883	3.7
101.02441	52.3
107.04983	0.6
109.02890	0.5
111.00838	1.0
113.02448	30.8
115.00440	0.6
115.03947	0.6
115.21753	0.5
119.03494	11.2
125.02458	6.0
127.03983	0.8
129.01874	0.6
131.03510	9.6
135.04504	3.0
141.01913	0.5
143.03497	11.9
147.02921	0.6
149.04544	9.3
155.03564	2.2
159.02898	1.3
161.04552	31.8
179.05602	23.1
185.04530	0.9
203.03839	0.8
203.05603	14.6
221.06651	46.9
222.06905	1.0
235.16968	1.3
245.06583	1.8
249.25012	0.4
263.07700	44.4
264.07861	1.1
275.09341	0.7
277.10898	0.6
281.08795	0.5
289.85904	0.5
303.23187	1.2
305.08755	45.8
306.09021	1.2
317.24747	0.8
321.09662	0.7
323.09741	2.7
335.22052	0.6
347.09814	2.0
365.10794	1.6
383.11905	1.3
407.11548	0.9
429.33810	1.5
447.16385	0.4
459.34518	1.3
471.34680	5.7
489.35852	12.5
490.35614	0.8
503.37274	0.5
531.36090	0.7
577.37109	0.8
591.38861	3.0
615.38080	0.6
617.26001	0.7
621.39850	1.5
633.40076	22.2
634.40619	2.4
651.41089	100.0
652.41461	9.1
665.42688	1.1
675.41040	6.1
693.42157	96.8
694.42554	9.2
707.43542	0.9
717.41699	0.7
723.43201	0.6
735.43250	20.5
736.43622	2.3
747.42700	0.5
753.44238	0.8
754.90662	0.5
765.44891	1.0
777.43909	1.5
795.45435	1.9
819.45789	0.7
837.46460	6.2
838.46777	0.8
855.46991	3.4
879.47131	3.1
897.48553	7.3
898.49048	0.7
939.49670	8.5
940.49640	0.8
957.50873	5.5
999.51715	8.6
1000.52197	1.1
1017.52496	5.8
1018.52148	0.6
1059.53943	4.8
1131.47852	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1131.5232
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03435	0.6
83.01389	7.9
85.02950	11.4
86.00095	0.8
87.00875	4.6
89.02444	9.8
93.72399	0.4
95.01376	2.3
97.02924	2.6
99.00861	2.6
101.02441	41.5
106.74506	0.4
109.02917	0.6
113.02451	20.6
119.03503	5.6
125.02453	4.3
131.03502	7.5
133.02878	0.9
135.04518	0.9
137.02386	0.5
143.03490	8.4
147.02968	0.5
149.04552	7.1
151.03889	0.5
155.03458	1.4
159.03018	0.8
161.04553	22.2
179.05605	15.2
179.07208	0.6
190.07458	0.7
203.05608	10.5
214.71362	0.6
221.06657	29.1
222.07079	0.7
231.10112	0.5
232.08467	1.0
245.06602	1.7
263.07697	31.3
264.08096	0.6
281.08823	1.0
287.07660	0.5
305.08774	30.6
306.08957	0.6
323.09781	1.9
347.09848	2.1
365.10867	1.3
383.11765	0.8
454.19815	1.0
455.35281	0.6
473.36377	19.6
474.36771	1.6
487.37866	0.9
617.26099	3.5
617.40607	10.8
635.41620	100.0
636.42041	9.1
649.43042	1.7
659.41864	0.9
677.42670	48.1
678.43164	4.1
689.42377	0.6
719.43756	7.9
721.41760	1.4
737.44067	1.0
761.44916	0.9
779.45966	1.7
797.44623	0.8
821.47113	4.1
839.47455	5.1
863.48230	1.0
881.48871	6.2
882.49323	0.9
923.50122	3.9
941.51398	3.4
983.52069	6.3
1001.53192	7.0
1002.53241	0.9
1043.54126	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	1135.7121
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03452	2.5
83.01385	2.5
83.05025	7.2
85.02946	1.5
87.00860	0.2
89.02441	2.7
95.01369	0.5
97.02940	0.2
97.55687	0.1
100.07671	0.1
101.02441	7.3
102.33230	0.1
107.06219	0.1
108.04530	0.3
113.02456	3.2
113.03250	0.2
119.03495	1.3
125.02452	0.3
125.06409	0.1
125.07203	0.5
126.05604	0.3
131.03474	0.9
143.03494	1.1
143.08260	0.2
149.04559	1.6
155.03493	0.3
161.04553	3.0
177.25253	0.1
179.05635	0.6
201.28778	0.1
203.05562	0.4
207.15005	0.8
221.06610	1.1
224.17664	1.3
225.16083	8.6
226.16370	0.3
242.18712	0.5
250.15454	0.2
262.19708	0.1
268.16699	0.1
290.22153	0.1
309.02588	0.1
309.21848	0.5
314.10449	0.5
315.10532	0.2
324.26636	0.4
333.22900	0.6
341.29227	0.7
367.27222	1.4
371.20682	1.0
413.21826	2.5
433.31857	1.0
450.34561	1.1
451.32874	7.5
452.32935	0.5
533.41229	0.2
535.38617	0.2
550.43292	1.1
559.39673	0.4
565.44550	0.3
577.40967	0.2
593.43457	0.5
659.48560	2.7
660.49207	0.2
677.49658	100.0
678.49969	10.9
820.81348	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1131.5229
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01379	5.0
84.08561	0.4
85.02951	16.5
86.00103	1.5
87.00883	7.2
89.02441	29.3
95.01381	5.2
97.02944	1.9
99.00874	2.9
101.02440	36.7
102.02795	0.6
103.45553	0.4
109.02872	0.5
111.00880	0.8
113.02451	31.5
115.03992	0.4
119.03497	13.2
125.02438	4.6
129.01949	0.5
131.03502	8.4
133.02913	0.7
143.03505	8.9
149.04559	3.5
155.03491	0.7
159.03006	1.6
161.04555	23.1
179.05602	54.4
180.06047	0.9
185.04518	0.9
203.05579	5.0
221.06657	34.9
222.07076	0.6
245.06711	1.4
263.07706	46.3
264.08041	1.4
281.08783	1.7
305.05325	0.9
305.08792	14.3
317.85184	0.4
323.09814	1.6
347.09680	0.6
356.28333	0.5
365.10800	1.8
383.11850	1.1
407.11774	0.5
414.85294	0.5
473.36334	13.0
474.36664	1.2
617.40527	31.2
618.40936	2.5
635.41620	52.9
636.41937	5.0
649.43219	0.5
659.41290	1.2
669.92969	0.5
677.42670	100.0
678.43018	10.1
691.44354	0.5
719.43726	11.0
720.44177	1.2
721.41016	0.6
731.43988	1.0
737.45239	0.5
761.44739	0.9
779.45776	1.2
821.46564	3.2
839.47888	3.5
863.48682	1.2
881.48962	6.1
882.49475	1.1
923.49481	2.7
941.51770	2.2
959.51691	0.7
983.52350	6.0
984.51025	0.8
1001.53467	4.4
1043.54016	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.061
Annotation	2,3-HEXANEDIONE
Peak:m/z	Relative Intensity
55.01883	8.9
57.03446	30.8
60.31491	1.6
67.01878	2.4
68.99570	100.0
69.03463	4.3
69.66582	3.5
69.66996	6.7
71.01378	6.8
76.05357	2.1
83.01376	4.9
84.02151	13.2
85.02950	72.0
86.03284	3.1
95.01430	2.4
95.04153	1.9
112.98581	2.3
113.02451	40.5
113.06091	54.2
114.02749	2.5
114.05591	13.2
114.06352	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	1131.5223
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01382	1.8
85.02953	3.9
87.00877	0.9
89.02441	4.6
95.01395	1.1
97.02943	0.5
99.00891	1.1
101.02439	6.8
109.80011	0.2
111.00867	0.5
113.02449	4.5
119.03516	1.2
125.02452	0.9
131.03516	0.5
143.03476	0.8
149.78174	0.3
152.60550	0.3
159.43042	0.2
161.04556	0.8
188.12852	0.3
237.92595	0.3
247.12216	0.2
257.79700	0.3
365.07715	0.3
437.34219	0.4
455.35394	2.8
599.39453	1.5
617.40430	3.3
618.40961	0.5
635.41351	0.6
659.41504	1.3
677.42883	0.4
779.46033	0.4
797.47717	0.4
821.46375	0.6
839.47681	1.9
840.47382	0.4
881.48895	2.5
882.49792	0.4
940.82098	0.3
1001.53302	4.0
1002.54132	0.6
1043.54260	100.0
1044.54480	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	113.0245
Annotation	19322-27-1
Peak:m/z	Relative Intensity
55.01875	11.2
57.03448	24.1
67.01884	1.6
67.42378	0.8
68.99569	100.0
69.03455	2.3
71.01379	3.9
72.99306	1.1
80.96332	1.0
83.01386	4.3
84.02162	14.7
85.02946	82.1
86.03284	2.8
95.01406	1.6
95.89213	1.0
112.98599	3.3
113.02451	19.2
113.06062	1.1
114.05633	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	1125.73
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95895	0.3
81.30800	0.2
83.01354	0.4
85.02916	1.0
87.00845	0.9
87.36840	0.2
89.02445	3.7
93.33134	0.2
95.01377	0.4
97.02928	0.8
97.12942	0.2
101.02447	3.3
105.03455	0.9
109.02925	0.5
113.02475	2.3
119.03459	0.9
125.02440	1.6
129.04517	0.3
143.03485	0.5
143.53790	0.2
149.02454	0.3
161.04532	0.8
177.01889	0.6
178.02280	0.3
179.05571	0.9
183.01135	0.4
185.56369	0.3
209.04504	1.1
210.04863	0.7
229.12920	0.3
235.08246	2.7
253.09312	0.6
255.23274	12.3
256.23761	0.3
277.09137	0.3
287.07690	1.0
305.08734	0.9
311.16840	0.7
325.58298	0.3
397.13489	38.5
398.13818	1.6
409.31213	0.5
415.14569	10.6
416.15015	0.3
471.34808	100.0
472.35147	7.8
472.40094	0.2
505.07867	0.3
653.26556	0.6
653.37506	10.9
654.38092	0.6
675.80920	0.3
1125.74683	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1127.4917
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03435	0.3
83.01385	2.3
84.47514	0.2
85.02947	7.4
86.00097	0.7
87.00868	3.1
89.02442	14.6
92.05061	0.7
95.01378	2.5
97.02950	0.9
99.00868	1.3
101.02441	17.4
106.32175	0.2
111.97301	0.2
113.02446	17.5
115.00338	0.3
119.03497	6.9
125.02441	2.3
129.01927	0.3
131.03497	3.8
143.03490	5.3
149.04546	1.0
152.25389	0.2
155.00565	0.2
155.03490	0.3
159.02986	0.9
161.04555	16.0
162.04881	0.3
177.10260	0.4
179.05606	34.2
180.05914	0.7
185.04591	0.4
203.05623	1.7
221.06656	15.8
222.06877	0.4
245.06660	0.3
263.07703	32.9
264.08087	0.7
281.08688	1.2
287.41461	0.2
297.91510	0.2
305.08823	2.0
317.17505	0.4
323.09903	0.4
365.10788	2.4
377.19324	0.5
383.11935	1.9
386.58661	0.2
409.31174	0.5
451.32205	2.1
452.32663	0.4
469.33185	100.0
470.28448	0.2
470.33514	8.3
483.34555	1.6
511.34250	30.4
512.34821	3.0
523.14642	0.2
525.36078	0.6
541.35333	5.0
542.35712	0.5
553.35443	0.8
559.36133	0.4
571.36163	1.4
595.35565	0.3
613.37476	3.5
614.37616	0.3
631.38501	3.3
632.38721	0.4
655.38440	1.5
673.39532	46.3
674.39893	5.4
715.40594	4.0
716.40802	0.6
733.41248	0.3
757.41730	0.5
775.42767	0.6
793.43823	0.3
817.44171	1.4
835.44824	5.4
836.44818	0.7
877.45905	0.5
1065.42310	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1123.4899
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95905	61.9
96.96944	4.0
114.42863	0.6
126.32737	0.6
152.99586	66.1
162.29562	0.6
171.00626	19.2
183.01199	2.1
195.34731	0.6
209.04637	0.6
211.13400	1.1
227.03302	3.6
245.04297	82.0
246.04739	1.7
253.21721	38.4
254.22125	1.5
291.10019	0.6
304.30948	0.7
311.16904	5.3
312.17218	1.3
325.18411	1.3
437.72302	0.6
481.25711	100.0
482.25958	3.9
795.23071	1.1
1123.49084	20.0
1123.73865	1.1
1124.48206	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	1123.7056
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95901	16.1
86.28680	0.3
97.24658	0.3
110.98532	8.2
129.30051	0.3
133.02950	1.1
135.04514	2.2
137.00067	0.4
137.02412	0.3
152.99588	0.5
161.02449	3.4
167.01147	9.1
169.86626	0.3
179.03474	1.0
185.02196	2.4
220.68036	0.3
255.23277	100.0
256.23633	3.1
416.72769	0.3
423.25162	81.0
424.25488	3.3
429.23135	0.5
699.44702	8.1
700.45886	0.8
721.58875	0.3
1069.92468	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1123.7044
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95907	14.4
81.98713	0.3
86.88496	0.4
94.99023	0.5
98.20645	1.3
104.97441	0.5
110.98536	7.8
113.15942	0.3
118.88991	0.4
123.69180	0.3
132.02147	0.5
133.02960	4.1
134.03722	1.0
135.04533	7.6
136.99974	0.4
137.02399	1.2
161.02437	11.7
162.02795	0.7
167.01149	7.8
179.03494	3.9
185.02191	2.3
218.93759	0.4
255.23283	100.0
256.23624	3.0
285.20667	0.8
376.71606	0.4
423.25165	62.4
424.25253	2.1
429.22739	2.1
447.23749	1.3
699.44714	27.3
700.45038	2.7
706.27460	0.4
897.13654	0.5
1021.92743	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1117.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
82.02991	2.7
83.08173	0.4
91.05584	0.3
94.03009	0.5
96.04544	0.4
96.96011	0.9
101.02447	0.5
108.04551	0.9
108.08172	0.4
111.97584	0.3
112.04045	1.0
113.02493	0.4
120.04533	1.3
121.03017	0.4
122.06110	0.5
122.09737	1.1
132.04549	0.4
134.03542	0.4
135.03401	0.7
135.04492	2.9
136.07640	0.6
138.05591	0.9
147.03262	1.2
148.04062	8.8
149.04848	3.5
150.05606	17.4
151.04105	0.4
151.05971	0.4
154.05063	1.6
160.04019	1.6
161.04840	4.4
162.05557	1.1
163.02722	0.8
164.03522	3.9
164.07166	0.8
166.08701	1.7
173.03568	3.2
173.04822	0.8
174.04333	14.1
174.05635	1.3
175.05072	5.3
175.06409	2.6
177.06673	0.4
186.05544	1.1
187.06342	1.6
188.07188	0.7
189.06683	5.2
190.04964	0.6
190.07465	14.8
191.05887	0.5
191.08171	2.7
200.07143	1.7
201.07919	1.6
202.05524	0.4
202.07222	1.0
202.09024	2.5
203.05864	1.5
203.08293	0.7
204.06693	0.5
213.06537	0.7
213.10289	0.8
214.11063	1.4
215.06021	0.5
215.08073	0.8
215.11777	0.4
216.05052	0.5
216.06796	0.8
217.07413	1.8
217.09810	1.0
220.09688	0.8
224.07080	0.5
226.08771	0.7
227.09486	0.7
228.06612	1.5
231.07716	3.3
231.09836	0.5
232.08527	18.9
233.07062	0.8
233.09274	7.4
241.09735	0.7
242.08321	0.9
242.10638	1.2
243.07564	3.0
243.11305	1.2
244.08258	10.5
245.06952	0.7
245.09225	9.3
246.07729	0.5
253.13278	0.5
261.12408	0.6
262.09454	1.8
263.10330	0.5
267.07657	1.0
268.08459	1.5
269.09262	1.6
270.07706	0.5
271.08527	0.6
271.14496	4.7
283.10974	0.5
285.08871	1.0
286.09592	6.3
287.10468	6.6
288.10776	0.5
296.14038	1.9
304.10599	1.0
305.11539	0.6
312.17136	0.5
315.13510	4.2
325.15521	0.9
336.17294	0.6
337.10638	0.8
338.15186	0.4
340.12921	1.3
347.17657	0.5
354.18192	5.1
366.18213	2.6
369.14563	0.5
377.13702	0.5
380.16272	0.7
384.19077	1.0
390.18225	1.4
391.16739	0.6
398.17239	5.4
408.19260	2.8
409.17941	0.6
410.17426	1.7
411.15302	0.5
426.20233	2.3
428.18591	0.6
434.17303	1.2
449.15884	1.0
452.18250	9.8
453.17661	0.5
467.16837	0.6
470.19232	8.3
477.18726	0.6
502.18613	1.3
560.22632	2.1
571.24524	0.6
572.22736	2.1
589.26465	1.3
614.23560	3.7
615.23682	3.4
616.23077	0.4
632.24591	38.8
633.25543	13.5
634.25690	0.8
658.22821	0.4
665.24475	0.7
723.28900	2.2
777.30042	3.4
795.30933	100.0
796.31171	9.5
912.65192	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0088
Annotation	2-Furoate
Peak:m/z	Relative Intensity
55.01884	7.7
67.01518	1.0
67.01891	17.8
67.73500	0.8
69.55959	4.2
71.01387	2.4
75.54263	0.7
78.95906	100.0
79.95780	0.8
81.03454	1.5
81.43893	0.7
83.01388	20.4
83.05045	2.0
84.01718	0.9
84.04552	1.0
93.03460	2.3
110.97596	3.2
110.98486	1.6
111.00882	26.7
111.02029	1.6
111.04515	1.8
112.01158	1.3
118.15059	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1117.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
82.02991	2.7
83.08173	0.4
91.05584	0.3
94.03009	0.5
96.04544	0.4
96.96011	0.9
101.02447	0.5
108.04551	0.9
108.08172	0.4
111.97584	0.3
112.04045	1.0
113.02493	0.4
120.04533	1.3
121.03017	0.4
122.06110	0.5
122.09737	1.1
132.04549	0.4
134.03542	0.4
135.03401	0.7
135.04492	2.9
136.07640	0.6
138.05591	0.9
147.03262	1.2
148.04062	8.8
149.04848	3.5
150.05606	17.4
151.04105	0.4
151.05971	0.4
154.05063	1.6
160.04019	1.6
161.04840	4.4
162.05557	1.1
163.02722	0.8
164.03522	3.9
164.07166	0.8
166.08701	1.7
173.03568	3.2
173.04822	0.8
174.04333	14.1
174.05635	1.3
175.05072	5.3
175.06409	2.6
177.06673	0.4
186.05544	1.1
187.06342	1.6
188.07188	0.7
189.06683	5.2
190.04964	0.6
190.07465	14.8
191.05887	0.5
191.08171	2.7
200.07143	1.7
201.07919	1.6
202.05524	0.4
202.07222	1.0
202.09024	2.5
203.05864	1.5
203.08293	0.7
204.06693	0.5
213.06537	0.7
213.10289	0.8
214.11063	1.4
215.06021	0.5
215.08073	0.8
215.11777	0.4
216.05052	0.5
216.06796	0.8
217.07413	1.8
217.09810	1.0
220.09688	0.8
224.07080	0.5
226.08771	0.7
227.09486	0.7
228.06612	1.5
231.07716	3.3
231.09836	0.5
232.08527	18.9
233.07062	0.8
233.09274	7.4
241.09735	0.7
242.08321	0.9
242.10638	1.2
243.07564	3.0
243.11305	1.2
244.08258	10.5
245.06952	0.7
245.09225	9.3
246.07729	0.5
253.13278	0.5
261.12408	0.6
262.09454	1.8
263.10330	0.5
267.07657	1.0
268.08459	1.5
269.09262	1.6
270.07706	0.5
271.08527	0.6
271.14496	4.7
283.10974	0.5
285.08871	1.0
286.09592	6.3
287.10468	6.6
288.10776	0.5
296.14038	1.9
304.10599	1.0
305.11539	0.6
312.17136	0.5
315.13510	4.2
325.15521	0.9
336.17294	0.6
337.10638	0.8
338.15186	0.4
340.12921	1.3
347.17657	0.5
354.18192	5.1
366.18213	2.6
369.14563	0.5
377.13702	0.5
380.16272	0.7
384.19077	1.0
390.18225	1.4
391.16739	0.6
398.17239	5.4
408.19260	2.8
409.17941	0.6
410.17426	1.7
411.15302	0.5
426.20233	2.3
428.18591	0.6
434.17303	1.2
449.15884	1.0
452.18250	9.8
453.17661	0.5
467.16837	0.6
470.19232	8.3
477.18726	0.6
502.18613	1.3
560.22632	2.1
571.24524	0.6
572.22736	2.1
589.26465	1.3
614.23560	3.7
615.23682	3.4
616.23077	0.4
632.24591	38.8
633.25543	13.5
634.25690	0.8
658.22821	0.4
665.24475	0.7
723.28900	2.2
777.30042	3.4
795.30933	100.0
796.31171	9.5
912.65192	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	4.7
57.12027	0.8
61.08632	0.9
62.34718	0.9
67.01892	31.8
71.50241	1.2
78.95906	100.0
79.95723	5.0
81.03445	2.6
83.01376	8.9
83.05032	3.5
84.04556	5.5
93.03471	3.3
95.95242	1.1
110.52767	1.0
110.89919	2.4
110.97584	10.3
110.98463	1.6
111.00882	43.9
111.02014	1.9
111.04488	2.0
112.01234	1.6
112.04037	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	1108.517
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01376	0.8
84.78255	0.4
85.02959	3.1
86.92406	0.5
87.00861	0.6
89.02445	3.8
92.88895	0.4
95.01364	1.0
99.00862	0.8
101.02444	6.0
113.02451	4.2
119.03484	0.7
125.02420	0.4
135.04561	0.4
154.50935	0.4
161.04541	1.3
271.05792	0.5
277.28003	0.4
455.35400	2.1
563.88751	0.5
599.39325	1.1
617.40802	2.0
618.40656	0.6
659.41364	2.2
677.42352	0.8
839.47314	2.5
1001.53217	100.0
1002.53668	13.0
1045.52747	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1109.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
81.65875	0.3
83.01391	1.2
91.01901	0.4
93.03470	0.5
96.96007	0.3
101.02424	0.3
107.01390	4.3
108.02192	1.4
109.02999	0.4
115.00323	0.4
117.03374	0.3
121.02984	1.8
123.16125	0.4
125.02441	0.5
132.02179	0.4
133.01428	0.6
133.02957	1.5
134.03738	1.0
135.00925	0.8
135.04529	1.7
148.01636	1.2
151.00372	13.9
151.01590	0.7
159.04585	0.7
161.02448	2.1
163.00392	1.7
164.01135	0.8
165.01923	0.4
169.01453	0.9
171.04556	0.7
175.04004	0.8
178.99861	10.4
179.03505	0.6
183.04489	0.6
187.04008	0.9
190.07399	0.5
190.99915	0.5
193.05016	0.6
198.03226	0.5
199.03987	2.0
201.01898	0.6
203.03561	1.0
206.82001	0.3
211.03952	1.2
213.01959	0.5
215.03522	1.3
216.04280	0.8
226.02715	2.7
227.03482	4.7
228.00609	0.6
229.01385	0.4
229.05035	0.5
231.07854	0.3
242.02209	0.3
243.02969	14.6
244.03525	1.0
244.08409	0.5
254.02231	2.4
255.02977	33.0
256.03375	1.3
271.02469	72.7
272.02994	5.5
273.04071	0.5
275.09283	0.7
283.02518	0.8
284.02899	0.5
285.04111	0.5
286.09647	0.4
297.11185	0.4
299.01978	5.1
300.02737	100.0
301.03458	14.9
302.03934	0.5
303.10120	0.4
314.04324	0.9
329.10001	0.5
355.04568	1.4
367.04617	1.3
411.07175	0.5
470.19443	0.8
497.82721	0.3
609.14716	0.5
633.25659	1.2
634.26147	0.4
753.18591	0.7
771.19885	6.6
772.20148	0.6
891.12012	0.4
929.24548	1.2
933.23114	2.0
947.24585	84.2
948.24945	8.1
989.10168	0.5
1034.14600	0.4
1109.27747	26.4
1110.27808	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	1103.4915
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01385	2.1
85.02955	6.8
86.00101	0.3
87.00874	3.3
89.02442	13.4
90.83748	0.3
95.01403	2.1
97.02934	1.0
99.00892	1.4
101.02444	14.6
113.02448	16.8
114.02789	0.4
114.81760	0.3
119.03503	4.8
121.62026	0.3
125.02448	1.6
131.03503	4.1
133.25516	0.3
137.02454	0.3
143.03494	5.2
146.75986	0.3
149.04550	1.0
159.03014	0.6
161.04549	14.6
162.04893	0.4
179.05605	27.4
180.05945	0.6
203.05624	1.9
221.06651	13.3
245.06503	0.3
263.07703	25.3
264.08066	0.8
281.08810	0.9
305.08783	3.8
323.09735	0.5
365.10916	2.3
383.11884	2.5
407.62720	0.3
427.32193	4.3
443.31561	2.2
444.32059	2.0
445.33200	100.0
446.33511	7.0
459.34775	2.1
486.32950	0.4
487.34277	28.9
488.34647	1.8
501.35699	0.4
517.35266	5.4
518.35425	0.5
529.35376	0.4
547.36633	1.4
570.83441	0.4
589.37415	3.0
607.38458	4.1
631.38464	2.6
648.38635	0.5
649.39545	26.6
650.39978	2.6
691.40656	3.8
733.40924	0.7
751.42633	1.1
769.43958	1.1
793.43536	1.8
811.44812	14.3
812.45459	1.6
853.45740	2.4
854.43927	0.5
1015.53131	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1101.4757
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01375	1.8
85.02953	6.2
86.00112	0.5
87.00872	3.1
89.02444	12.2
95.01389	2.1
97.02955	0.7
97.53204	0.3
98.19874	0.6
99.00876	0.9
101.02443	13.3
111.13123	0.2
113.02451	15.2
119.03507	5.7
125.02455	2.0
131.03508	4.0
137.02365	0.3
138.27946	0.2
143.03502	4.2
149.04547	1.0
150.71950	0.3
155.03535	0.5
159.02956	0.6
161.04555	13.5
162.04919	0.3
179.05609	24.4
180.05948	0.3
185.04497	0.4
203.05594	2.0
221.06656	13.3
222.06992	0.3
245.06516	0.3
263.07703	23.6
264.08014	0.3
281.08771	0.9
305.08804	5.2
323.09836	0.9
365.10855	1.9
383.11911	1.7
383.29590	1.0
397.31006	0.4
407.11639	0.4
425.12891	0.5
425.30560	3.6
443.31644	100.0
444.32001	6.6
457.33179	2.0
485.32709	24.3
486.32831	1.9
515.33765	3.6
516.34076	0.5
527.34064	0.5
533.35138	0.4
545.34790	2.0
557.34943	0.3
569.34760	0.3
587.35901	2.1
605.36975	3.5
606.37714	0.3
629.36908	2.4
647.37994	20.1
648.38043	1.6
689.39117	6.1
731.39795	0.6
749.41040	0.7
767.42889	0.8
791.42334	2.0
809.43201	10.5
810.43494	1.4
851.44354	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	1101.4753
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01387	4.9
85.02949	5.4
86.00098	0.5
87.00871	2.6
89.02450	4.2
95.01381	1.3
95.38248	0.3
97.02950	1.5
99.00905	1.2
100.14372	0.4
101.02438	22.9
102.02744	0.4
113.02445	11.2
119.03516	2.8
125.02458	4.1
128.73361	0.4
131.03500	4.7
140.35808	0.3
141.66246	0.4
143.03487	4.9
147.32036	0.4
149.04553	4.3
155.03505	1.2
155.58585	0.4
157.83292	0.4
159.03085	0.4
161.04541	14.7
179.05571	3.1
201.20888	0.3
203.05583	8.3
203.07466	0.5
221.06650	22.3
263.07687	16.2
305.08759	37.3
306.09061	0.8
323.10031	2.0
347.09897	0.9
365.10837	1.2
383.29568	1.4
397.30936	0.5
407.11917	1.7
425.12994	2.9
425.30551	5.0
443.31641	100.0
444.31995	6.6
457.33173	2.4
466.91287	0.4
485.32693	33.4
486.33008	2.5
499.33945	0.5
515.33679	2.9
527.33728	0.9
545.34668	0.5
587.35815	3.8
605.37286	1.0
629.36749	4.0
647.38031	6.2
648.38574	0.6
689.38995	40.1
690.39252	4.3
731.39905	1.2
791.42004	2.6
809.43079	4.5
851.44324	10.4
852.45294	0.8
928.29993	0.4
1001.54382	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1097.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01395	0.2
101.02443	0.9
109.02951	0.3
113.02494	0.1
129.07101	0.5
131.03531	0.1
136.01686	0.5
142.15848	0.1
143.08658	0.1
144.08224	0.1
145.06592	0.8
150.03226	0.1
150.56471	0.1
151.03964	0.6
165.05486	0.1
180.10287	0.2
186.09232	0.2
198.09224	1.1
205.10254	0.2
207.11751	0.2
212.10832	0.2
213.07938	0.1
214.08727	19.1
215.09142	0.5
223.11354	0.2
224.07071	0.1
225.12881	0.3
226.12451	0.4
227.09540	0.1
238.08771	0.1
239.07077	0.1
239.14323	0.2
240.10321	1.4
241.15865	0.1
250.12386	0.2
252.13960	0.1
267.06619	1.1
267.09210	0.1
268.13409	16.0
269.13467	0.3
269.15546	0.5
271.16983	0.2
278.11841	0.1
282.09000	1.1
282.15027	0.2
283.09265	0.2
284.16531	1.8
296.16440	0.1
297.11310	2.6
298.11673	0.3
299.11877	0.1
300.16028	100.0
301.16351	3.9
310.14453	0.6
312.15997	0.9
313.16696	0.1
314.17642	0.5
315.12616	0.1
322.18185	0.3
342.17081	7.0
343.17615	0.4
345.13437	1.8
346.13736	0.2
357.13440	0.3
366.16965	0.2
371.06625	0.1
375.14465	1.6
376.15033	0.1
377.15289	0.1
384.18158	0.1
389.12390	0.1
515.29547	0.1
521.74243	0.1
585.85352	0.1
749.53552	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	109.0296
Annotation	Catechol
Peak:m/z	Relative Intensity
52.09362	0.3
53.13752	0.3
56.22500	0.3
60.24120	0.3
65.03947	0.6
69.03422	0.4
70.99036	0.6
76.07152	0.3
81.03451	2.6
84.18395	0.3
91.01899	3.0
108.01545	0.3
108.02176	15.9
109.02956	100.0
110.03296	5.2
114.98877	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0296
Annotation	Catechol
Peak:m/z	Relative Intensity
71.00108	0.6
81.03456	2.8
86.21294	0.3
91.01888	2.9
98.16953	0.3
108.02178	14.6
109.02953	100.0
110.03294	5.1
120.29481	0.3
129.57292	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0295
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93030	0.3
64.71978	0.3
65.00298	0.3
65.03981	0.3
67.01885	0.4
70.91449	0.8
81.03458	3.3
81.33147	0.3
82.49140	0.3
91.01910	2.6
105.09619	0.3
108.02180	14.8
109.02956	100.0
110.03285	5.5
119.89083	0.3
126.49002	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1093.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
78.98064	0.3
82.95805	0.3
83.01378	1.8
85.02943	0.5
101.02435	1.7
107.01385	5.5
108.02172	1.5
109.02943	0.9
113.02454	0.8
117.03398	0.8
119.05086	0.5
120.43900	0.4
121.02944	1.6
125.02444	0.5
133.02971	0.5
134.03738	0.7
135.00887	0.9
135.04543	1.2
136.01662	1.0
137.02339	0.5
145.02960	1.2
148.01662	1.9
149.02386	0.5
151.00371	15.2
151.03970	1.0
152.00999	0.3
159.04457	0.7
160.01627	0.6
161.02441	1.1
161.04636	0.5
163.00339	1.9
163.04037	0.6
164.01115	1.1
169.01411	1.0
171.04575	0.4
173.06271	0.3
175.03963	0.9
178.99854	10.3
180.00122	0.5
183.04489	0.7
187.03954	0.9
192.00620	0.7
198.03174	0.4
199.03975	2.4
201.01871	0.9
201.05608	0.5
203.03435	1.0
211.03926	1.4
213.01955	0.5
214.02666	0.4
215.03479	1.5
216.04224	1.1
222.57343	0.3
226.02699	2.3
227.03510	5.4
229.01346	0.9
235.06085	0.4
243.02963	16.1
244.03598	0.8
245.04520	0.6
254.02202	3.0
255.02979	37.5
256.03287	1.8
271.02463	82.0
272.03036	5.9
273.03931	1.1
283.02515	0.7
284.03201	0.5
299.01962	6.5
300.02734	100.0
301.03433	15.6
302.03650	0.4
314.04184	0.8
342.10971	0.4
355.04581	1.4
357.13205	2.0
367.04517	0.8
393.05951	0.4
411.07022	0.6
415.97360	0.4
753.18768	1.4
771.19867	6.2
917.23596	8.3
918.24396	0.9
929.23364	5.0
930.23779	0.7
931.26050	0.6
947.24603	42.2
948.24933	4.3
1093.28320	49.7
1094.28613	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	1083.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01387	0.3
91.01920	0.2
92.87901	0.1
93.03471	0.2
95.43681	0.2
98.20544	0.2
103.71456	0.1
107.01387	1.5
108.02176	0.5
109.02943	0.7
109.39570	0.1
121.02957	0.9
122.41743	0.2
125.02436	0.2
135.00873	0.6
141.50540	0.1
147.04330	0.2
148.01680	0.4
149.02376	0.2
151.00363	7.3
159.04436	0.2
161.02379	0.2
163.00366	1.6
164.01149	0.2
169.01405	0.3
175.03996	0.2
178.99846	3.7
183.04527	0.3
184.77194	0.1
187.03896	0.2
190.02763	0.2
190.99959	0.2
192.00600	0.3
193.01299	0.2
193.93677	0.1
199.04018	0.3
201.01895	0.1
201.05644	0.2
203.03516	0.3
211.04037	0.6
215.03468	0.3
216.04269	0.3
226.02698	0.8
227.03500	1.9
228.04271	0.2
229.04990	0.5
231.02951	0.1
239.03639	0.1
243.02960	5.9
244.03601	0.5
245.04451	0.7
254.02190	1.5
255.02972	16.4
256.03476	0.6
271.02460	34.1
272.03058	2.2
273.03995	0.5
283.02493	0.8
285.03992	0.3
289.67758	0.2
292.45221	0.1
299.01913	0.8
299.04935	0.2
300.02725	63.7
301.03470	25.6
302.03806	0.6
302.06876	0.1
319.11761	0.1
343.04498	0.5
447.09335	0.9
463.09253	0.2
560.42035	0.1
609.14551	100.0
610.14899	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	1087.5348
Annotation	Unknow
Peak:m/z	Relative Intensity
76.54149	0.2
78.95846	0.2
81.03444	0.3
81.76167	0.1
83.01395	2.0
85.02949	4.7
87.00873	1.0
89.02451	3.7
95.01398	1.6
96.96004	0.3
97.02951	0.7
99.00884	1.5
101.02445	6.9
109.02958	0.2
111.00903	0.3
112.01641	0.5
112.10960	0.2
113.02451	5.7
119.03497	1.3
121.03006	0.2
124.73194	0.2
125.02437	1.3
127.04023	0.2
131.03471	0.4
135.04497	0.4
137.02434	0.2
138.25169	0.2
143.03540	1.0
159.03053	0.2
161.04565	1.0
177.02017	0.2
179.05579	0.2
184.14162	0.2
221.06615	0.5
263.07730	0.5
275.39346	0.2
305.08749	0.6
337.76218	0.2
429.33893	0.4
455.35291	2.8
473.36337	0.2
483.35092	0.2
546.99615	0.2
551.36987	0.2
573.38177	0.5
591.39038	0.8
592.39911	0.2
599.39508	1.5
616.84442	0.2
617.40521	2.4
618.40942	0.4
633.40094	0.9
635.41577	0.4
641.39819	0.3
659.41583	1.5
675.41595	0.3
677.42578	0.5
739.79340	0.2
779.45691	0.5
795.45325	0.5
797.47174	0.5
821.46722	0.7
837.46570	0.2
839.47687	2.0
840.48694	0.2
881.48785	2.2
957.51080	0.2
983.51813	1.5
984.52026	0.4
999.51300	0.2
1001.53235	1.7
1043.54309	100.0
1044.54614	14.9
1087.55359	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0504
Annotation	Unknow
Peak:m/z	Relative Intensity
66.17056	1.4
69.33036	10.8
78.11511	1.5
79.05522	1.7
80.02689	2.0
84.21696	1.3
89.42351	1.3
98.19879	2.9
106.04243	7.5
107.05033	100.0
108.02184	21.4
108.04550	4.2
108.05367	5.1
123.04537	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0503
Annotation	Unknow
Peak:m/z	Relative Intensity
60.75010	1.7
69.90514	9.6
75.96806	2.1
79.05531	1.7
95.05094	2.1
103.42559	2.0
106.04256	5.6
107.05035	100.0
108.02180	21.5
108.04601	4.2
108.05375	5.8
123.04410	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	107.0503
Annotation	o-Cresol
Peak:m/z	Relative Intensity
63.42273	1.6
69.42789	14.7
71.12873	1.8
74.26231	1.8
79.05540	2.6
82.83140	1.8
95.05017	2.9
101.83113	1.8
106.04247	6.8
107.05029	100.0
108.02148	8.5
108.04568	2.7
108.05372	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	107.0503
Annotation	Unknow
Peak:m/z	Relative Intensity
67.95279	1.8
71.52993	1.8
75.58186	1.5
79.05544	1.9
95.01420	1.3
105.96413	1.4
106.04247	5.5
107.05028	100.0
108.02169	11.6
108.04528	5.2
108.05358	5.3
110.52658	1.7
123.74957	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1063.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
74.83916	0.1
82.60439	0.2
83.01395	2.3
84.02161	0.2
85.02937	0.8
85.66359	0.1
89.02441	0.8
93.03449	0.5
95.01385	0.6
97.02962	0.3
101.02444	5.7
108.02151	1.2
109.02965	0.4
113.02464	2.3
119.03453	0.8
121.02950	2.7
121.03768	0.2
122.03741	1.5
123.00903	0.2
124.01677	0.3
125.02404	0.3
131.03499	0.5
134.03781	0.8
135.04544	0.3
136.01660	55.0
137.02319	1.2
143.03474	0.7
145.06683	0.2
149.04550	1.1
149.05934	0.2
151.04002	73.5
152.04358	1.3
154.02742	0.2
155.03455	0.3
159.04501	0.8
160.05307	1.2
161.02452	0.3
161.04565	2.1
161.05946	0.2
162.03191	0.7
163.04044	0.7
171.40376	0.2
175.04007	0.4
175.07622	1.2
176.04774	0.2
177.02153	0.3
177.05579	1.0
179.03572	0.4
189.05621	0.4
190.06232	0.3
191.07016	0.2
193.05159	0.2
203.05441	0.2
203.07230	0.3
207.31776	0.2
221.06599	0.7
241.05031	0.2
296.10522	0.3
311.12982	0.4
342.11038	4.5
343.11267	0.3
357.13409	100.0
358.13708	5.2
399.14551	0.2
474.26019	0.1
501.17575	0.6
543.18781	0.2
561.19995	0.8
769.53125	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1059.538
Annotation	Unknow
Peak:m/z	Relative Intensity
74.03303	0.9
75.00869	1.8
81.03452	1.2
83.01385	24.1
83.26126	0.7
85.02954	17.3
87.00881	5.3
89.02445	59.1
90.02776	0.8
95.01382	6.8
97.02956	2.1
99.00862	0.8
99.04506	0.9
101.02442	100.0
102.02757	0.8
113.02450	60.9
114.02775	1.6
115.03968	0.8
116.85164	0.8
119.03506	31.2
125.02451	4.8
131.03503	12.5
143.03503	18.1
147.02972	0.9
149.04550	21.6
155.03476	1.9
161.04552	40.9
162.04916	0.9
179.05608	29.3
203.05586	3.4
215.66589	0.7
221.06654	10.4
237.57442	0.7
425.25336	4.4
443.26660	1.6
485.27594	17.3
486.28403	1.0
500.45724	0.9
843.42871	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1061.517
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00851	0.8
83.01385	4.9
85.02953	17.5
86.00092	1.0
87.00877	6.7
89.02444	36.0
95.01377	5.1
97.02926	1.3
99.00884	2.2
101.02438	35.4
109.94549	0.7
113.02450	41.0
119.03500	16.0
125.02450	2.1
131.03503	8.4
133.17749	0.8
135.04535	1.4
143.03500	12.0
149.04562	3.7
156.51505	0.8
159.02953	1.3
161.04559	26.8
161.05904	1.6
179.05603	49.8
203.05598	2.5
221.06644	31.3
222.07069	0.8
235.16777	1.1
245.06650	1.4
263.07709	55.3
264.08035	1.4
305.08829	15.0
323.09824	5.3
341.10941	1.8
383.12003	1.3
471.34824	3.5
489.36063	3.9
591.38843	1.3
633.40027	25.3
634.40259	2.8
651.41113	47.6
652.41486	4.6
675.40857	6.5
693.42157	100.0
694.42310	10.4
705.42590	1.3
717.41748	0.9
735.43207	17.7
736.43567	1.6
753.44415	1.2
765.44061	2.8
795.45831	1.9
813.46173	1.4
837.46454	4.1
855.47009	8.0
897.48560	8.1
915.21765	0.9
957.51208	7.0
975.51263	3.1
1017.52814	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1059.5018
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01382	2.7
84.54994	1.0
85.02946	11.2
87.00867	3.5
89.02440	21.0
89.02946	2.0
93.55383	1.2
95.01386	2.9
99.00920	2.0
101.02449	21.1
103.44256	1.1
107.05036	1.0
113.02441	22.6
113.03165	1.8
115.00359	1.3
119.03513	8.1
125.02431	1.1
131.03517	6.3
133.01442	1.8
133.02986	2.8
134.03691	2.5
135.04503	3.8
137.02432	1.2
143.03532	5.0
143.75980	1.0
149.04552	1.0
161.02470	1.4
161.04549	18.6
177.01881	1.8
179.04366	0.5
179.05608	29.4
221.06630	18.9
263.07703	36.6
305.08704	3.4
323.09799	4.2
335.79953	1.1
341.10852	3.9
383.11890	2.6
425.34393	1.7
427.32227	1.3
469.33359	6.5
487.34293	100.0
488.34552	8.2
495.26520	1.1
496.77621	1.0
501.36166	1.2
529.35321	30.6
530.35333	2.8
559.36194	6.3
589.37189	4.5
631.38403	4.9
649.39673	4.2
691.40588	36.4
692.40649	3.6
733.41559	4.9
793.44604	2.1
811.44904	25.1
812.44800	3.8
853.46021	23.4
854.46185	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1051.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99292	0.3
72.99821	0.2
75.78191	0.3
80.00700	0.2
83.01392	0.5
87.39682	0.3
89.03909	0.3
107.01398	1.2
108.02184	0.7
115.00375	0.9
117.03439	0.5
121.02950	0.3
127.55554	0.3
133.01387	1.3
134.03738	8.9
135.00963	0.4
148.01659	0.7
149.06122	0.5
151.00378	4.6
152.01215	0.3
163.00377	0.7
164.01190	0.4
169.01453	0.3
178.02724	0.7
178.99828	3.3
187.03984	0.3
192.00633	0.3
193.01219	0.3
193.05029	8.6
215.03508	0.4
226.02713	0.9
227.03542	1.7
243.02969	7.6
244.03519	0.6
254.02303	1.8
255.02969	19.3
256.03473	0.7
271.02460	43.1
272.02966	2.3
273.03876	0.4
299.01901	2.2
300.02722	82.9
301.03369	7.9
307.12518	0.3
309.06085	0.3
741.18781	100.0
742.19208	8.6
894.65808	0.3
985.86420	0.4
1019.54083	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1055.7033
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02923	0.8
81.03430	0.8
83.01347	0.7
83.05025	1.1
85.02935	0.9
87.54263	0.7
89.02441	2.8
95.01447	0.7
97.02949	4.4
97.06548	1.0
101.02433	3.5
113.02440	2.0
116.92870	2.1
119.03415	0.9
119.08645	1.5
125.09698	1.3
137.09718	2.9
142.13582	0.7
161.04544	2.5
163.11293	1.7
165.12807	5.0
171.10275	8.6
173.55266	0.8
177.01999	1.2
179.05666	1.7
181.12425	1.3
183.01245	0.9
183.13924	0.9
193.15968	0.8
197.11859	0.7
205.19600	0.8
209.11804	2.4
211.13423	2.3
219.02998	2.1
223.13409	2.1
227.12857	3.1
235.08208	4.4
247.20697	3.5
249.18590	100.0
250.18843	3.9
253.09288	20.5
273.18628	2.8
277.21713	75.4
278.22116	3.8
281.17596	2.3
291.19647	50.3
292.20087	2.7
309.20709	95.8
310.21042	3.2
339.19937	3.2
527.28619	3.3
541.38861	2.7
545.29645	6.6
671.09772	0.9
696.61658	0.8
812.33722	0.7
1032.28125	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0347
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
59.01376	23.7
63.02393	9.6
70.64214	10.5
72.99307	77.8
75.00880	25.4
77.03967	40.2
83.96579	4.2
87.92567	3.9
93.03444	4.0
95.05016	24.3
98.20580	3.8
105.01935	100.0
105.03466	84.4
106.04037	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	1045.5225
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99300	2.4
73.02943	8.2
81.03441	0.6
83.01383	6.0
85.02948	20.2
86.00092	1.0
87.00875	8.6
89.02441	37.0
95.01375	6.0
97.02950	1.4
99.00877	3.7
101.02444	40.5
112.21846	0.6
113.02451	37.4
114.02773	0.7
119.03497	17.4
125.02438	3.3
129.01900	1.0
131.03508	9.8
143.02444	0.9
143.03493	11.8
149.04579	2.6
152.98740	0.5
159.02959	2.2
161.04549	28.0
179.05605	58.6
180.06007	1.0
203.05603	2.7
221.06650	38.9
245.06728	0.9
263.07703	58.0
264.08029	1.8
281.09027	0.9
305.08765	11.7
323.09833	4.8
333.48395	0.5
341.10855	1.5
365.10721	1.7
383.11972	1.6
447.31775	0.6
473.36349	15.3
474.36664	1.4
487.37949	1.0
617.25543	0.9
617.40558	16.1
618.41412	0.6
635.41608	100.0
636.41919	11.1
649.43292	0.9
677.42651	70.6
678.43134	7.8
689.42499	0.9
691.44946	0.6
719.43677	10.4
721.42297	1.0
722.38342	0.6
737.44849	2.4
779.46344	1.3
797.45605	1.5
821.47125	2.1
839.47955	6.9
840.48743	1.0
881.49188	5.8
899.92163	0.6
941.51056	6.3
942.51770	1.4
959.52728	3.5
1001.52924	6.5
1002.53784	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1049.678
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95908	15.7
102.95923	0.4
104.58105	0.4
115.13498	0.4
119.04996	0.4
130.24551	0.4
134.81261	0.4
135.04478	0.9
138.70631	0.5
152.99567	2.6
160.88654	0.4
168.04329	2.8
180.22339	0.4
183.01186	0.5
211.63306	0.4
224.06934	8.7
242.07980	1.4
255.23293	99.5
256.23605	3.4
260.78159	0.4
311.16977	2.2
325.18265	0.8
367.84354	0.4
480.30957	100.0
481.31299	5.4
495.27518	0.6
554.34735	4.1
563.75519	0.5
605.59302	0.4
1049.53247	1.0
1050.51465	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1043.5386
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99339	0.7
73.02949	3.8
83.01376	2.4
85.02956	5.2
87.00880	0.8
89.02439	5.0
93.03439	0.3
95.01398	1.5
97.02966	0.8
97.57139	0.4
99.00887	1.2
101.02448	8.6
107.89674	0.3
108.08347	0.4
113.02447	6.1
113.12421	0.3
119.03492	1.9
125.02449	1.2
132.94214	0.4
135.04535	0.8
137.02452	0.4
143.03459	1.0
159.03032	0.4
161.04555	1.1
174.31367	0.3
215.32706	0.3
221.06708	0.5
257.53445	0.4
260.66891	0.3
294.67349	0.3
346.54913	0.3
379.84070	0.4
455.35376	3.1
459.27823	0.4
538.21423	0.4
591.39410	0.7
599.39655	1.3
617.40741	3.1
633.40027	0.4
659.41919	1.7
677.42957	0.8
795.45056	0.6
837.45868	1.0
839.47986	0.6
846.64734	0.4
881.48853	1.0
999.50592	0.6
1043.54346	100.0
1044.54688	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	1045.5222
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99310	2.2
73.02943	7.8
73.70221	0.4
75.00864	1.0
80.79235	0.4
81.03461	0.6
83.01385	6.8
85.02948	20.1
85.03468	1.1
86.00112	0.7
87.00876	7.6
89.02442	36.4
95.01387	7.5
97.02959	2.2
98.19830	0.9
99.00892	3.2
101.02440	42.3
102.02763	0.6
111.00886	0.9
113.02447	41.8
114.02757	0.8
118.45081	0.5
119.03494	16.7
125.02437	4.0
129.01866	0.7
131.03493	10.0
143.03503	11.6
149.04594	3.0
155.03549	0.5
159.02985	2.1
161.04549	29.9
179.05603	61.0
180.05948	1.4
203.05617	3.8
221.06648	36.3
222.06969	0.8
263.07697	56.5
264.08023	1.6
281.08841	0.6
305.08755	12.0
317.98105	0.5
323.09863	3.8
341.10870	1.3
365.10989	1.6
383.11890	1.7
473.36356	15.7
474.36414	1.1
487.37888	1.0
522.49786	0.5
617.40485	17.9
618.41040	2.0
635.41614	100.0
636.41907	9.7
649.43365	1.5
677.42657	74.2
678.42993	8.8
719.43658	10.7
720.44049	1.8
721.41345	1.4
731.44641	0.8
737.44690	1.6
747.58771	0.5
749.44751	0.6
761.43835	0.8
773.57483	0.6
779.45605	2.0
797.46625	1.1
821.46539	2.8
839.47986	6.2
840.48694	1.1
881.48792	4.8
882.49023	1.5
941.51385	6.5
942.51166	0.9
959.52264	2.6
960.51788	0.9
1001.53137	6.8
1002.53571	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1041.4913
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99298	1.0
73.02945	4.3
83.00941	0.5
83.01366	2.3
85.02950	10.4
86.00085	0.7
87.00887	3.8
89.02443	19.7
95.01389	3.3
97.02921	1.0
98.20045	0.5
99.00861	1.7
101.02440	18.5
105.18233	0.4
113.02451	24.4
115.06428	0.5
119.03498	7.6
125.02449	1.6
126.04332	0.4
127.76094	0.4
131.03500	5.1
133.02979	0.5
135.04541	0.9
143.03499	6.9
149.04547	0.9
159.02972	1.0
161.04553	21.0
162.04889	0.4
177.01956	0.7
179.05605	32.4
180.05981	0.8
203.05579	1.5
221.06651	15.5
263.07709	35.3
264.08109	0.7
271.02686	0.5
275.09250	0.5
305.08691	1.0
323.09747	4.0
341.10733	2.8
365.10779	1.8
383.11911	1.3
389.36896	0.4
409.30923	0.5
451.32175	1.8
469.33194	100.0
470.33511	6.9
483.34918	1.7
511.34265	31.5
512.34564	2.8
523.10583	0.4
541.35339	8.2
542.35577	0.5
553.34894	0.7
559.36517	0.6
571.36151	2.8
571.50348	0.6
613.37524	3.1
631.38507	9.6
632.39020	1.2
642.72095	0.5
655.38293	0.8
673.39526	50.5
674.39941	5.7
715.40723	3.9
716.39838	0.5
754.66003	0.5
775.42841	1.3
793.43823	4.9
794.43475	0.6
835.45172	3.1
836.44257	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1039.6549
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95707	0.7
98.20589	0.1
114.41515	0.1
119.05025	1.0
135.04515	0.1
170.00421	1.1
183.01201	32.4
184.01640	1.0
197.02777	0.7
201.99306	0.2
211.04285	0.2
216.00983	0.6
225.05849	0.7
239.07509	0.6
253.08974	0.3
258.05673	0.1
267.10590	0.1
275.23889	0.2
281.12283	0.2
339.19968	100.0
340.20291	4.9
364.69861	0.1
411.50079	0.1
444.45908	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	1037.5327
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99300	3.7
73.02946	49.2
83.01387	26.5
85.02952	35.5
87.00899	4.7
87.04541	3.5
89.02445	73.5
95.01374	9.3
96.11526	1.9
96.96045	3.2
99.00884	8.1
101.02443	100.0
101.06104	2.4
106.48119	1.9
107.05733	1.9
107.50861	2.1
112.01699	2.4
113.02444	55.1
115.00390	4.4
115.89293	1.9
119.03502	41.3
125.02480	5.4
131.03474	10.2
133.01416	5.2
133.02965	19.2
135.04507	4.3
137.64111	2.1
143.03493	14.4
149.04567	19.1
161.04553	43.3
177.01945	6.3
178.02655	3.0
178.04874	3.2
179.05588	29.4
190.72707	2.2
201.05447	2.4
203.05586	5.9
206.96188	2.1
221.06740	12.4
255.10228	3.9
260.46198	2.2
381.22705	21.1
399.23859	58.1
441.24893	37.8
447.27570	8.7
465.28461	18.6
481.15207	2.1
507.29559	34.1
516.33618	2.5
921.45410	10.0
1007.44940	2.4
1048.39612	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	1038.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99315	1.0
73.02947	22.7
75.02409	0.5
77.03973	0.4
81.03458	0.6
82.49688	0.3
83.01381	7.4
83.06147	10.4
83.06618	0.7
85.02944	5.9
85.03451	0.3
87.00867	0.7
89.02460	0.8
92.05078	0.5
93.03488	0.8
95.01412	0.9
97.02956	1.2
99.00885	1.7
101.02443	18.5
102.02667	0.3
105.03458	6.8
107.05025	0.5
113.02447	7.0
117.03465	0.9
117.04489	0.3
119.98788	0.3
121.02953	15.6
123.04548	1.2
125.02431	1.7
129.01984	0.5
131.03500	0.6
133.02905	0.4
134.03740	12.8
135.04474	0.4
143.03497	2.5
145.02968	0.5
147.00868	3.0
149.02438	2.8
149.09709	2.2
155.03520	1.4
155.11885	0.9
159.02989	1.4
159.04387	0.3
160.01697	2.7
161.02458	66.2
161.04401	6.4
162.02783	1.5
164.39366	0.3
170.03926	7.9
177.09175	2.6
177.82735	0.3
189.01920	23.8
190.02325	0.7
190.99854	0.5
203.03709	0.7
203.05621	1.7
204.02347	2.3
205.03091	1.0
215.03340	0.3
219.02992	5.8
221.08177	55.2
222.08490	1.8
231.02977	1.8
233.10271	0.4
247.07849	10.3
263.05676	0.4
263.09232	0.4
285.87323	0.4
291.05051	1.4
299.16034	0.6
317.17188	6.6
351.07300	1.6
359.18219	100.0
360.18530	4.0
403.17151	2.3
439.15396	4.0
478.21951	2.9
524.20758	2.7
582.62695	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1035.4238
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02995	0.4
82.02982	3.3
90.29427	0.4
94.03011	0.5
108.04589	1.2
112.04074	1.2
118.03046	0.4
120.04588	1.9
124.04063	0.7
129.05582	0.8
130.04233	0.6
134.03769	0.8
134.06136	0.6
135.03345	0.6
136.07668	2.0
139.02768	0.8
145.04195	0.4
146.04965	0.5
147.03325	1.0
148.04042	14.5
149.04816	6.3
150.05600	16.1
150.09193	2.6
152.03683	0.4
154.05141	1.7
158.03787	1.5
159.04526	1.3
159.08163	1.4
160.04019	2.7
161.04836	5.0
161.07262	0.5
162.05617	1.4
163.02780	1.2
164.03505	4.0
164.07233	0.5
173.03558	6.3
173.04820	0.7
173.06029	0.6
174.04333	18.4
174.05569	1.5
175.02676	0.6
175.05113	5.1
175.06433	3.8
175.07756	0.6
176.05843	0.8
176.07257	0.4
179.63156	0.4
185.06200	0.5
186.05652	1.2
187.06313	1.8
187.07693	5.7
188.07231	0.8
189.06682	8.3
189.09203	0.7
190.07469	21.2
191.05888	0.6
191.08179	1.8
193.05112	0.9
200.07137	2.8
201.07936	2.5
202.02716	0.9
202.07271	2.1
202.08836	1.6
203.03372	1.1
203.05980	0.9
203.08284	0.9
204.10295	0.4
207.05394	0.6
207.38567	0.4
213.06760	1.3
213.10411	1.1
214.11107	2.1
215.08234	1.7
216.06837	0.8
217.07465	2.3
217.09853	1.4
218.10524	0.7
219.11320	0.5
224.07228	0.6
227.09596	0.6
228.06659	1.8
231.07741	12.3
231.10251	3.2
232.08514	29.3
233.09219	4.5
241.09848	1.4
242.08211	2.7
242.10468	0.9
243.07837	2.7
243.11226	0.6
244.08247	8.6
245.06920	0.9
245.09335	3.6
246.07607	0.9
259.10864	1.1
261.08804	1.1
262.09537	2.4
267.07739	1.1
268.08502	1.1
285.08853	2.8
286.06912	0.4
286.09631	7.5
287.07846	1.1
287.10458	0.9
289.09668	0.7
299.13980	8.8
303.09906	1.8
304.10577	2.0
324.13464	4.7
325.11877	0.9
329.13788	3.7
337.10693	0.8
340.16818	0.6
353.14972	0.7
372.17526	0.6
373.16406	4.0
382.17700	13.4
383.18045	1.0
393.18118	1.5
394.17712	3.8
395.15985	0.6
412.18719	1.9
418.17767	0.9
436.18695	6.8
437.17300	3.7
438.16946	0.5
449.15826	1.0
454.19815	57.3
455.20181	4.2
462.19574	0.5
467.16953	3.2
468.17819	0.4
487.19760	0.6
545.24084	4.1
575.24939	0.7
581.34381	0.5
599.24963	6.1
617.26105	100.0
618.16876	0.8
618.26410	10.2
619.26605	1.2
743.39227	0.5
914.90863	0.5
1071.26111	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1022.5179
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01384	10.0
72.44592	0.3
72.99324	0.6
73.02946	1.7
83.01389	1.8
85.02947	4.4
85.49249	0.3
87.00871	0.6
89.02445	5.8
95.01386	1.5
95.77394	0.4
98.19903	1.3
99.00894	0.8
101.02448	7.9
113.02445	4.6
117.32692	0.3
119.03493	1.9
161.04584	1.0
173.09972	0.3
187.07578	1.7
188.08051	0.4
189.09171	0.7
202.06355	0.4
203.03502	0.4
203.07097	0.4
203.10773	0.4
229.08334	0.3
229.57109	0.4
231.06627	0.6
231.10245	2.3
232.10568	0.6
275.09305	0.4
329.14069	0.6
331.46591	0.3
355.24841	0.4
356.25400	0.5
373.16428	1.5
374.16867	1.0
391.40250	0.3
455.35419	1.9
534.23834	0.4
617.40710	3.5
635.41254	0.5
751.46362	0.5
797.46576	1.0
959.52191	100.0
960.52356	14.7
1022.51343	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1035.3355
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99313	0.5
73.02947	7.8
75.00870	1.2
76.53799	0.2
81.03472	0.4
83.01385	3.2
84.90102	0.2
85.02943	2.4
87.00893	0.3
87.94349	0.2
89.02445	6.2
91.05538	5.3
93.03437	0.2
95.01395	0.6
96.61873	0.2
97.02943	1.5
97.30566	0.2
98.19801	0.3
99.00875	1.7
101.02448	5.3
101.03952	1.5
103.05535	0.6
106.29512	0.2
109.02950	0.2
111.00874	0.4
113.02449	3.5
115.04008	0.4
115.05535	8.0
117.03464	35.0
118.03812	0.8
119.05019	0.7
121.03011	0.3
125.02451	5.8
129.07103	0.5
131.03612	1.2
131.05025	20.5
132.05391	0.6
133.01407	0.3
133.06577	0.5
135.04524	7.9
136.01649	2.2
138.17499	0.2
143.03517	1.8
145.02962	0.5
145.06606	1.2
146.90668	0.3
147.04523	2.1
149.04617	1.5
149.06078	17.4
150.06396	0.3
151.03990	1.5
155.03519	1.5
157.06593	0.9
159.04512	100.0
160.04851	2.9
161.04567	0.7
173.06123	0.4
175.03996	3.0
177.05565	16.2
178.05864	0.5
187.07652	0.4
189.05569	9.2
191.05624	0.9
201.05554	2.7
203.05586	2.5
207.06561	0.5
233.06653	3.5
285.04053	0.3
293.08774	9.7
293.12064	0.5
339.10861	0.3
422.94220	0.2
460.13885	0.2
651.22949	1.1
667.69818	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1019.4502
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01374	1.0
71.52589	0.7
82.02970	2.7
112.04018	0.7
113.00951	0.5
120.04519	1.7
120.05485	0.5
129.24628	0.6
136.07716	0.8
147.03235	1.2
148.04031	10.5
149.04839	4.5
150.04446	1.0
150.05605	12.5
150.09229	2.2
154.05144	1.0
160.03957	1.8
161.04817	5.0
162.05598	1.5
163.02692	1.7
164.03526	4.3
173.03587	3.9
173.04825	0.8
174.04332	14.9
174.05591	1.0
175.02802	0.8
175.05054	4.2
175.06393	2.5
176.05847	0.7
177.06728	0.6
186.05544	1.2
187.06320	1.4
188.07175	1.1
189.06676	7.0
190.07465	16.8
191.05835	0.9
191.08163	1.2
200.07114	1.5
201.07993	2.8
202.07454	2.1
202.08968	1.1
203.08235	1.7
213.10396	1.0
214.11122	1.5
215.08203	1.0
217.07416	1.8
217.09760	1.9
227.09468	0.7
228.06635	1.0
231.05611	0.9
231.07745	12.7
232.08514	24.6
233.09267	3.2
242.08197	1.7
242.10541	0.9
243.07706	2.5
244.08571	6.3
245.07045	0.7
245.09190	2.8
246.07588	1.1
259.10767	1.4
261.08841	1.1
262.09561	1.9
268.08575	1.1
285.08649	3.2
286.06967	0.9
286.09659	5.9
289.09631	0.9
299.14011	7.9
300.14304	0.7
300.71829	0.6
303.09924	1.4
304.10559	1.5
318.19891	0.6
324.13522	4.0
337.10657	0.6
340.16559	1.0
353.14786	0.8
382.17691	10.6
393.18152	1.2
394.17667	4.1
395.15552	0.6
412.19064	1.6
418.17712	0.8
436.18723	6.7
437.17334	3.2
438.17365	0.6
454.19812	50.9
455.19922	3.5
467.16797	3.0
487.19553	0.8
545.23932	2.7
575.25024	1.2
599.25079	6.1
617.26111	100.0
618.26477	11.1
834.81299	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1021.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01397	2.3
83.10509	0.4
89.02431	0.6
107.01408	1.1
108.02159	0.6
115.00379	5.7
117.25037	0.4
119.05025	4.0
133.01430	13.2
148.01651	0.7
151.00401	4.3
163.00381	0.5
163.04005	2.5
164.01015	0.5
178.99864	2.5
193.70645	0.4
226.02727	1.2
227.03506	1.7
243.02962	7.1
254.02202	1.7
255.02988	17.7
256.03326	0.6
271.02466	42.2
271.43628	0.5
272.02945	2.0
279.05136	0.4
299.01950	2.1
300.02744	77.3
301.03387	7.1
317.27753	0.4
400.88260	0.4
741.18799	100.0
742.19073	8.6
976.03247	0.5
1027.48022	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1015.4757
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01380	24.1
72.40782	0.4
72.99300	1.4
73.02950	4.3
76.46094	0.4
83.01373	2.9
84.02077	0.4
85.02945	10.7
87.00874	3.6
89.02444	21.4
91.43468	0.4
95.01385	3.5
96.96007	0.5
97.02938	0.8
98.20683	0.9
99.00882	1.3
101.02438	16.6
101.89712	0.4
106.44057	0.4
113.02448	20.3
118.20827	0.4
119.03501	9.0
125.02457	2.2
129.01923	0.4
131.03505	4.6
135.00305	0.4
135.04478	0.7
138.24385	0.3
143.03505	5.8
149.04572	0.9
155.81226	0.4
159.02966	0.7
161.04549	19.2
179.05600	29.4
203.05563	2.0
221.06642	15.4
231.10127	0.4
263.07693	32.0
264.08084	1.1
275.12607	0.3
281.08710	0.6
305.08777	4.0
323.09732	2.2
341.10776	1.8
365.10602	2.0
383.11954	2.5
383.29779	1.0
425.30652	2.9
443.31625	100.0
444.31943	7.8
457.33264	1.9
458.33524	0.6
485.32718	26.9
486.32996	2.3
497.14209	0.5
515.33771	5.8
516.34308	0.7
524.45813	0.4
533.34802	0.5
545.34875	3.1
574.31281	0.5
587.36041	1.8
602.97577	0.5
605.36865	5.1
606.37781	0.5
629.36823	0.6
647.37933	22.1
648.38281	1.4
689.39160	4.7
690.39319	0.8
749.41290	1.4
767.42163	7.5
767.54987	0.5
768.41760	0.9
809.27924	0.7
809.43182	13.6
810.43756	1.7
875.32983	0.5
942.71509	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1017.6127
Annotation	Unknow
Peak:m/z	Relative Intensity
71.60844	0.1
79.05535	0.2
81.03437	0.2
83.05036	0.2
91.05534	5.3
93.03465	1.8
95.05025	0.1
97.06600	0.2
102.98633	0.2
106.04247	0.3
107.05032	16.3
108.05358	0.3
109.03011	0.5
109.06613	0.2
111.00908	0.1
117.03382	0.1
119.05040	0.3
121.02943	1.1
122.03718	0.3
123.04526	0.4
124.01684	1.2
125.02447	0.5
133.03011	0.2
134.03726	0.6
135.04526	100.0
136.04791	1.9
137.02490	0.1
137.06100	1.7
137.51526	0.1
143.03545	0.1
150.03200	1.0
151.04008	2.6
152.04355	0.2
161.43546	0.1
162.03241	0.1
163.00720	0.1
180.04407	0.1
181.05054	3.4
181.06592	0.2
182.05205	0.1
205.12213	0.2
215.10674	0.2
225.16040	0.2
227.85213	0.1
233.11845	0.3
249.11273	0.2
277.10797	10.7
278.11105	0.4
293.10364	0.4
294.10855	0.3
295.11874	3.2
339.10818	14.4
340.10971	0.6
381.12286	0.1
451.32996	0.1
616.65070	0.1
677.49683	3.4
678.50110	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0245
Annotation	(R)-Methylmalonate semialdehyde
Peak:m/z	Relative Intensity
52.84166	1.4
55.01882	15.4
57.03447	15.6
57.73308	1.1
58.00599	7.8
58.95256	1.2
59.01379	68.1
70.48993	1.7
70.49348	3.4
71.01385	37.6
72.99302	5.9
73.02949	100.0
74.03288	2.2
83.01398	4.8
86.00102	1.9
97.10948	1.3
98.19952	1.1
101.02448	49.3
101.06065	2.3
102.02818	2.3
102.05611	1.2
102.26523	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1013.5693
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01383	34.6
73.02946	11.9
83.01388	9.5
85.02966	13.7
89.02461	6.4
89.80814	3.2
95.01395	3.9
99.00912	5.2
101.02444	19.0
113.02454	14.8
161.04535	7.4
265.33749	2.8
275.09143	4.3
360.18594	4.5
388.78839	3.0
395.13782	3.2
465.28574	100.0
466.28876	6.8
475.10583	3.3
483.29651	25.3
525.30670	90.5
526.30615	4.4
1033.73083	3.2
1048.22827	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	1015.4756
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01380	25.7
72.99291	0.9
73.02946	4.4
75.00861	0.7
83.01389	2.7
85.02950	10.8
86.00067	0.5
87.00886	3.8
89.02444	19.7
93.38408	0.4
95.01382	4.0
97.02958	1.2
99.00891	1.3
101.02439	18.9
113.02455	20.7
114.02768	0.5
115.65031	0.4
118.96587	0.3
119.03502	7.5
119.36704	0.3
121.47069	0.4
125.02415	1.8
131.03502	4.6
142.34300	0.3
143.03496	5.8
149.04565	1.0
159.02950	0.7
161.04558	18.3
164.28590	0.4
179.05605	28.6
180.05923	0.6
195.13506	0.4
203.05585	1.4
221.04541	0.9
221.06645	13.1
263.07709	27.1
264.07993	0.5
276.87323	0.4
281.08685	0.7
287.64227	0.4
305.08780	4.5
323.09796	3.0
341.10834	1.9
365.10846	1.7
383.11871	2.2
383.29507	1.6
397.30688	0.4
425.30688	3.1
443.31631	100.0
444.32016	8.6
457.33026	2.0
477.71344	0.5
485.32727	27.7
486.32889	2.1
515.33722	6.3
516.34222	0.8
527.34259	0.7
533.35144	0.9
545.34644	3.4
587.35852	1.0
605.36957	4.6
606.37408	0.8
622.10773	0.4
629.36841	1.2
647.37976	23.0
648.38281	2.4
657.25159	0.4
689.38928	5.1
749.40936	1.6
767.42212	9.5
768.42688	1.5
809.43207	11.3
810.44000	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0244
Annotation	(R)-Methylmalonate semialdehyde
Peak:m/z	Relative Intensity
55.01633	2.0
55.01879	33.5
57.03452	23.0
58.00579	8.0
59.01376	76.3
60.55015	1.8
71.01382	32.3
71.20396	4.0
72.99300	8.0
73.02945	100.0
74.03291	2.6
83.01391	8.1
86.00092	2.0
100.94589	7.5
101.01794	3.9
101.02440	63.5
102.05606	6.7
115.92125	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0245
Annotation	(R)-Methylmalonate semialdehyde
Peak:m/z	Relative Intensity
55.01878	21.1
55.51583	1.9
57.03203	1.8
57.03455	27.5
58.00595	8.4
59.01384	74.0
60.01691	2.1
69.52052	1.5
71.01015	2.1
71.01387	31.5
71.30013	2.8
71.30333	2.0
72.99318	8.1
73.02949	100.0
83.01395	7.4
83.12033	1.7
85.47825	1.6
101.02447	73.3
102.02835	3.1
102.05609	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	1009.3723
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	0.9
71.53170	0.4
82.02969	2.8
96.96049	0.6
108.04548	0.8
112.04024	1.1
120.04533	1.4
121.04097	0.6
129.05534	0.7
135.72769	0.4
136.07651	1.4
146.04733	0.4
147.03252	1.6
148.04039	12.6
149.04825	5.5
150.05597	14.9
150.09233	2.9
154.05078	2.3
160.04062	2.1
161.04834	5.4
162.05560	1.3
163.02736	1.4
164.03546	4.2
166.08604	0.4
173.03543	6.7
173.04848	0.8
174.04323	17.8
174.05603	1.3
175.02716	0.7
175.05052	4.7
175.06400	3.5
176.05850	0.9
176.95709	0.5
177.01894	0.5
177.06557	0.6
178.02660	1.0
186.05536	1.4
187.06390	2.2
188.07170	1.3
189.06676	9.4
190.07463	20.0
191.05832	0.8
191.08260	2.0
193.40366	0.5
200.07089	2.4
201.07947	3.1
202.07138	2.3
202.08789	1.7
203.05931	0.5
203.08188	1.6
213.06708	0.9
213.10330	1.1
214.05067	0.5
214.11066	1.8
215.05968	0.5
215.08246	1.4
216.06956	0.5
217.07422	1.9
217.09821	1.6
224.07195	0.6
227.09410	0.7
228.06607	1.9
231.07739	13.9
232.08505	29.4
233.09229	4.2
237.62665	0.5
240.08926	0.6
241.09807	1.0
242.08121	2.5
242.10583	1.1
243.07368	2.4
243.09241	0.7
243.11278	0.9
244.08226	7.9
245.06889	1.1
245.09268	2.8
246.07693	0.8
247.08397	0.6
255.07838	0.4
259.10855	1.0
261.08838	0.5
262.09650	2.4
263.10245	0.5
267.07684	1.1
268.08478	1.9
275.09201	1.2
285.08829	2.9
286.06998	0.5
286.09607	6.7
287.07657	1.1
287.10504	0.8
289.09494	1.2
299.13968	9.6
303.09802	1.5
304.10583	1.3
324.13467	3.8
325.11908	1.2
337.10510	1.3
338.11246	0.5
340.16910	0.8
352.16629	0.5
353.14948	1.1
382.17682	13.1
393.18033	1.7
394.17740	3.7
395.15985	1.3
399.30383	0.4
412.18979	2.2
418.17728	1.1
436.18750	7.2
437.16934	2.7
449.16046	0.6
454.19806	56.0
455.20081	4.2
467.16922	2.8
487.19763	0.6
545.24017	2.9
546.24054	0.5
557.23688	0.6
575.25403	1.4
599.25098	5.3
600.25171	0.7
617.26099	100.0
618.26440	10.6
618.36591	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1008.5751
Annotation	Unknow
Peak:m/z	Relative Intensity
70.74896	100.0
138.47527	60.2
200.34502	56.4
258.83859	64.3
380.00800	68.5
394.70642	53.8
416.75131	53.7
708.92334	67.3
873.40826	64.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1009.3724
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	0.9
71.51798	0.6
82.02979	3.4
83.56376	0.4
85.44917	0.4
110.06123	0.6
112.04054	0.9
116.10383	0.4
120.04536	1.9
121.04115	0.5
133.02966	0.7
134.03755	1.0
135.04582	0.6
136.07680	1.7
138.05647	1.1
139.02806	0.5
147.03278	1.5
148.04053	12.6
149.04840	5.0
150.05603	14.1
150.09224	2.4
154.05099	1.5
160.04105	1.2
160.31726	0.4
160.60706	0.4
161.04828	4.5
162.05634	1.4
163.02750	1.4
164.03539	4.4
173.03554	4.5
173.04817	0.7
174.04320	16.5
174.05525	1.0
175.02855	0.6
175.05095	4.0
175.06421	3.4
176.05940	0.5
177.06694	0.7
178.02654	0.4
186.05580	1.4
187.06364	2.2
188.07195	1.2
189.06683	7.6
190.07458	19.2
191.05966	1.0
191.08156	1.6
199.07571	0.5
200.07121	2.0
201.07941	3.1
202.05737	0.6
202.07483	2.3
202.08826	1.6
203.05971	1.0
203.08224	1.4
205.94295	0.4
213.06728	0.9
213.10294	0.9
213.55190	0.4
214.05048	0.5
214.11115	1.9
215.08252	1.1
216.06773	0.5
217.07451	1.7
217.09877	2.0
218.10747	0.4
224.07111	0.8
227.09569	0.6
228.06705	1.7
231.07742	10.8
231.10071	0.8
232.08514	24.5
233.06993	0.8
233.09206	3.7
241.09822	1.1
242.08205	2.8
242.10649	1.5
243.07788	2.9
244.08203	7.3
245.06984	0.6
245.09204	3.5
246.07684	0.7
247.08600	0.6
255.07793	0.5
259.10959	0.9
261.08823	0.8
262.09634	2.2
263.10095	0.4
267.07642	0.7
268.08456	1.0
275.09192	2.8
285.08817	2.5
286.07031	0.6
286.09641	5.6
287.10373	0.7
289.09396	0.7
299.14005	8.4
303.09851	1.6
304.10669	1.5
323.38135	0.4
324.13553	3.7
325.11856	1.0
337.10742	0.7
340.16586	1.1
353.14804	0.9
372.17307	0.6
382.17673	12.1
383.18097	0.6
392.09341	0.4
393.18137	1.6
394.17688	3.6
394.32922	0.4
395.15613	0.8
412.18900	1.9
418.17682	1.2
436.18729	7.7
437.17001	2.9
438.17279	0.5
449.16223	0.5
454.19809	54.1
455.20221	3.9
467.16925	2.4
487.20013	0.6
545.24084	2.8
557.23749	0.6
575.25146	1.0
599.25165	5.3
617.26105	100.0
618.26471	9.3
838.26434	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1005.5616
Annotation	Unknow
Peak:m/z	Relative Intensity
70.48797	0.1
71.51936	0.2
78.52327	0.1
78.95860	0.1
79.95760	0.7
83.64646	0.1
83.83106	0.1
88.98817	0.3
94.98021	0.2
96.96059	0.3
104.02854	0.1
105.03427	0.1
119.05011	0.6
133.01425	0.2
133.02968	0.2
135.04527	0.2
170.00421	0.7
170.41669	0.1
183.01198	29.8
184.01942	2.2
197.02763	0.8
198.03598	0.7
201.99324	0.1
209.04713	0.2
216.00977	1.6
225.05939	0.3
230.02548	0.5
237.06944	0.2
239.07448	0.6
247.20663	0.3
298.10419	0.2
309.17566	0.3
310.17792	0.2
311.16852	100.0
312.17172	5.1
325.18442	0.2
426.31088	0.2
428.19864	0.2
607.97595	0.2
808.79211	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1005.397
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01384	100.0
71.52024	2.5
72.99319	3.4
73.02948	57.9
73.19016	3.0
80.96544	3.5
83.01377	22.2
85.02953	22.6
87.00845	3.5
89.02442	58.5
95.01385	7.9
97.02933	2.8
101.01799	4.3
101.02447	73.3
102.64813	2.8
102.92882	2.3
113.02453	80.4
115.00343	2.7
119.03510	27.7
125.02445	5.2
127.51436	2.6
131.03468	8.6
133.01385	3.1
135.04483	8.4
140.56499	2.4
143.03481	11.0
145.02940	7.6
149.04515	9.8
161.04559	33.4
161.81053	2.7
179.05614	30.3
181.82452	2.2
203.05618	2.5
221.06599	10.3
239.07060	3.2
253.08540	4.5
263.07693	2.6
265.08557	4.5
267.06659	19.0
280.07474	8.3
281.08139	16.3
295.09738	10.9
296.10510	6.9
297.20752	6.2
311.09375	4.0
318.35104	2.6
340.09497	46.8
341.09732	4.7
355.11880	91.8
356.12250	7.5
380.13843	2.4
392.77304	2.9
427.23270	21.5
441.24893	58.4
459.25922	28.1
483.25641	16.6
501.27118	53.9
502.27597	4.2
594.37903	4.4
989.78125	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	1001.5317
Annotation	Unknow
Peak:m/z	Relative Intensity
70.65266	0.3
71.01379	17.4
72.99303	1.3
73.02944	3.6
75.00892	0.3
76.97680	0.3
83.01382	2.7
85.02946	7.5
86.00082	0.4
87.00872	1.2
89.02448	9.4
90.30836	0.3
91.93855	0.3
91.94480	0.4
95.01393	1.8
95.14326	0.3
97.02940	0.6
99.00871	1.5
101.01799	0.7
101.02443	12.4
111.00862	0.4
113.01711	0.6
113.02451	6.9
119.03505	3.0
125.02399	0.9
140.91133	0.3
143.03485	0.6
155.68700	0.3
159.03036	0.5
161.04526	1.0
165.72691	0.3
167.18732	0.4
231.10281	0.5
289.39352	0.4
336.21570	0.3
349.57080	0.4
455.35300	2.7
535.38055	0.4
599.39520	1.2
617.40533	3.2
659.42084	1.9
677.42480	0.9
797.45831	0.5
803.96643	0.4
839.48114	1.6
1001.53210	100.0
1002.53571	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	996.6046
Annotation	Unknow
Peak:m/z	Relative Intensity
69.91741	0.7
73.02918	0.8
73.06557	1.4
77.03929	0.6
79.05013	0.3
79.05492	5.7
87.04469	7.4
89.06030	33.8
91.04913	0.3
91.05479	3.5
91.07618	0.2
93.07045	0.5
94.07291	0.2
95.04980	1.9
103.05469	6.2
105.07031	100.0
106.07366	1.0
107.05000	0.2
107.07095	0.3
113.06043	0.4
115.05446	0.3
115.07637	0.3
116.06216	0.4
117.06985	0.3
117.09154	1.5
119.04923	0.2
119.08598	0.8
121.06512	2.7
128.06187	0.2
129.07016	1.2
130.08609	0.8
131.07069	2.5
131.08563	6.4
133.08603	24.6
135.10201	0.2
145.06480	0.3
145.10107	0.2
147.08052	2.7
149.09627	0.7
151.09723	0.2
161.11696	0.5
163.68011	0.2
165.07004	0.4
165.09134	0.6
166.07726	0.3
167.08456	0.2
169.10052	0.3
173.09598	0.6
175.09688	1.6
177.11226	9.3
179.08502	0.3
181.10141	0.5
191.10625	0.3
203.08626	0.3
209.13324	0.3
209.57204	0.2
219.12268	0.5
221.13857	1.4
223.11137	1.0
225.12746	5.6
227.12708	0.4
235.14836	0.2
239.14743	0.3
249.12737	0.5
251.14314	11.6
252.14772	0.2
253.15999	2.7
265.16522	0.5
267.13791	0.7
267.17389	0.3
267.95059	0.2
269.15338	1.5
271.15430	0.3
277.15646	0.2
283.17572	0.4
295.16977	0.4
309.18970	0.4
311.16299	0.5
313.17987	1.1
315.17905	0.2
327.17349	2.2
329.19000	10.5
330.19308	0.3
353.18887	0.5
355.20358	0.5
357.20364	0.4
371.19928	0.7
373.21613	4.0
375.21530	0.3
419.24564	0.3
433.25122	0.3
463.26248	0.2
477.27917	4.3
478.28293	0.2
595.34015	0.2
771.44928	0.4
785.59479	0.2
875.50458	0.4
880.30682	0.2
979.55817	0.2
996.60028	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	996.6046
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03416	0.3
69.14786	0.7
69.15215	1.0
71.04996	0.2
73.02917	0.9
73.06562	1.2
77.03924	0.8
79.05495	7.1
81.03419	0.3
81.07054	0.2
87.03929	0.3
87.04471	6.9
89.06033	33.4
90.06393	0.2
91.05480	3.2
91.07579	0.2
93.07036	0.4
95.04981	1.6
95.08611	0.2
97.06526	0.3
98.20721	0.3
103.05477	5.7
103.06157	0.4
105.07034	100.0
106.07355	0.8
107.04920	0.2
107.07074	0.5
113.06013	0.4
115.05432	0.2
116.06273	0.3
117.07021	0.6
117.09133	1.4
119.04954	0.4
119.08574	0.6
121.06503	3.1
128.06198	0.3
129.07010	1.1
130.08621	0.6
130.62712	0.1
131.07080	2.3
131.08574	6.0
133.08607	25.5
133.10216	0.8
134.08948	0.3
135.10155	0.2
145.06499	0.5
145.10141	0.3
147.08052	2.5
149.09624	0.8
155.08537	0.2
157.10178	0.2
161.11731	0.5
163.11139	0.2
165.07022	0.4
165.09106	0.3
166.07793	0.3
167.08662	0.2
169.10121	0.2
171.08038	0.2
173.09621	0.5
175.09712	1.9
175.11179	0.3
177.11229	9.2
178.07773	0.2
181.10121	0.6
184.07503	0.2
191.08748	0.2
191.10651	0.4
197.09605	0.2
203.08595	0.2
207.11716	0.2
208.08815	0.2
209.09706	0.2
209.11574	0.3
209.13403	0.3
211.13225	0.2
219.12244	0.6
221.09648	0.2
221.13835	1.7
222.86913	0.2
223.11162	1.1
223.15471	0.3
225.12744	6.2
226.13007	0.2
227.12764	0.4
235.14783	0.4
237.12750	0.2
239.14754	0.3
249.12741	0.7
251.14320	13.8
253.15952	3.3
265.16312	0.4
267.13779	0.5
267.17587	0.3
269.13336	0.1
269.15433	1.5
277.15924	0.2
283.17490	0.4
295.16965	0.7
298.99908	0.2
309.19006	0.5
311.16336	0.6
313.18152	1.0
313.27155	0.2
315.17697	0.3
318.74130	0.2
327.17331	2.3
327.20532	0.2
329.18994	10.9
330.19397	0.4
353.18954	0.7
355.20062	0.4
356.77594	0.2
357.20642	0.3
371.19806	0.8
373.21646	4.0
382.35205	0.2
401.23041	0.3
415.22147	0.3
417.24118	0.3
427.35873	0.2
431.24020	0.2
433.25308	0.2
463.26587	0.3
477.27927	4.2
478.28180	0.2
589.16187	0.2
603.01715	0.2
634.41333	0.2
771.44104	0.4
835.78888	0.2
875.50269	0.5
979.57159	0.2
996.61182	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	994.5373
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03310	5.1
69.06950	3.8
69.47723	1.3
69.48124	3.9
71.01289	0.7
71.04884	1.5
73.02792	3.3
76.23565	0.6
77.03838	0.8
79.05367	21.7
79.05880	3.4
81.03290	18.1
81.03819	2.9
81.06922	19.3
81.07452	2.9
83.04847	2.4
83.08489	6.7
83.31158	0.6
85.02773	11.1
85.03329	1.2
85.06435	1.0
85.13014	0.6
91.03810	4.1
91.05342	22.0
91.05974	2.5
93.06903	20.7
93.07555	2.1
95.04824	6.8
95.08465	11.1
95.09120	1.2
95.79573	0.6
97.02747	10.0
97.03432	1.3
97.06400	2.6
97.10033	1.7
98.21484	1.4
99.04345	0.9
99.07975	1.2
101.02265	1.3
103.05367	1.1
105.04388	1.1
105.06880	9.7
107.04813	2.7
107.08443	9.8
109.02790	0.8
109.06409	1.4
109.09999	6.5
111.08065	3.1
115.05296	1.8
117.06857	4.2
119.04922	3.9
119.08418	8.5
121.06339	2.7
121.09975	12.1
123.04251	6.4
123.07946	1.4
123.11613	1.1
125.09508	1.4
127.03722	2.1
128.06073	1.3
129.06837	5.0
131.04765	1.7
131.08400	8.0
133.06291	3.1
133.10132	7.0
135.04399	3.8
135.11546	2.8
136.06056	0.7
137.05983	23.5
137.06940	1.5
137.09531	1.2
141.06851	0.8
142.07631	0.8
143.08479	1.5
145.04843	0.8
145.06502	3.3
145.09962	2.5
147.04408	5.5
147.07896	2.5
147.11685	5.8
149.05940	6.5
149.09621	6.2
149.13133	1.5
151.07428	1.3
151.11014	0.9
154.08598	0.7
155.08365	0.7
157.06271	2.2
157.10124	4.0
159.07840	2.9
159.11539	2.0
161.05998	8.6
161.09456	0.6
161.13118	0.8
162.41039	0.7
163.03738	0.6
163.07564	3.8
165.12593	1.5
169.06346	0.8
169.09932	0.6
171.07912	1.9
173.05980	6.0
173.09494	1.4
175.07516	6.9
175.11185	3.2
177.09019	1.0
183.07951	1.6
185.05888	0.8
185.09581	0.8
187.07567	6.3
189.08934	2.0
190.08430	0.8
191.06938	1.2
193.12267	8.4
195.13675	1.3
197.09558	1.4
199.07361	2.3
201.08949	2.1
203.06900	1.2
205.08337	0.7
209.09360	0.7
209.13168	0.6
211.11374	0.6
211.13304	4.0
213.08940	2.0
215.10561	1.2
215.17781	0.7
223.11130	0.7
227.10612	1.3
239.13989	0.8
241.11980	0.7
255.13649	0.8
257.11670	0.9
257.15247	4.9
267.13571	1.0
285.14893	3.9
302.17529	6.2
303.15903	3.8
307.22656	8.5
311.16315	1.5
329.17389	6.6
341.17410	1.3
346.20084	6.8
347.18344	1.4
358.19925	1.4
370.20212	0.8
376.20984	1.4
385.19537	0.7
402.22559	1.6
403.20908	0.7
420.23785	3.4
438.24582	0.9
626.40643	1.5
652.42102	2.5
653.39911	0.9
670.43134	100.0
671.43494	5.8
712.43939	4.0
722.26465	0.7
748.44525	2.8
760.43634	0.8
778.45837	3.2
779.44873	0.8
796.45984	11.0
797.46930	0.7
814.47424	8.5
832.48407	91.4
833.48749	5.7
940.49872	0.8
958.53052	1.5
976.53143	3.6
994.53778	55.1
995.54614	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	988.5121
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99799	4.1
69.03432	36.3
69.07069	7.8
69.36788	3.5
69.37195	1.1
71.01347	2.5
71.04994	3.6
71.08625	0.5
73.02927	4.5
77.03959	0.7
79.05499	7.4
80.65400	0.5
81.03419	37.4
81.07059	20.6
83.01355	2.5
83.04983	8.3
83.08611	5.2
85.02906	76.3
85.06528	0.8
86.03231	0.8
87.00829	34.2
87.04470	1.0
91.03948	1.0
91.05475	5.5
93.03389	0.7
93.07047	11.6
95.04967	5.1
95.08608	34.2
96.08963	0.6
97.02892	35.9
97.06517	0.6
97.10162	2.0
99.00821	0.5
99.04456	12.4
101.02381	2.3
103.03940	5.3
105.01868	36.8
105.04556	0.5
105.07027	7.1
107.04990	1.2
107.08597	15.6
109.02882	57.5
109.06540	1.3
109.10156	30.9
110.03718	0.6
111.00819	1.1
111.04440	8.0
111.11731	2.4
113.02350	1.3
115.03907	2.4
117.01846	2.4
117.07017	1.7
119.04933	1.1
119.08584	7.6
120.18613	0.5
121.02905	1.2
121.06472	0.6
121.10143	11.6
123.04433	7.7
123.08059	0.9
123.11713	13.6
125.02350	5.0
127.03918	100.0
128.04279	1.2
129.01865	4.7
129.05473	1.9
131.08595	3.3
133.06487	1.3
133.10136	5.2
135.04362	1.2
135.11697	11.0
137.02362	0.7
137.05968	2.0
137.13255	6.0
139.03889	3.3
141.05450	1.5
143.08598	0.7
145.04961	19.4
145.10121	5.8
147.02901	3.1
147.04434	1.6
147.06526	2.4
147.08032	1.1
147.11691	7.8
149.02354	1.0
149.06012	0.6
149.09761	0.5
149.13260	13.1
151.03902	10.5
151.07520	1.1
151.14822	1.2
153.01846	0.8
157.10115	1.4
158.10959	0.9
159.02878	9.9
159.08038	1.0
159.11681	5.0
161.04645	0.6
161.05936	1.5
161.09650	0.6
161.13237	3.8
163.03917	1.4
163.07521	1.1
163.14809	7.1
164.04659	0.8
165.05469	4.7
165.09087	1.2
165.12817	0.5
169.04962	15.1
171.02885	4.9
171.11671	1.3
173.09650	1.1
173.13269	6.0
175.03928	2.3
175.14803	4.8
177.05406	1.0
177.09123	1.6
177.16435	3.2
179.17851	1.1
181.04982	2.5
185.13121	0.6
187.06017	10.0
187.11218	1.3
187.14793	3.2
189.03951	22.6
189.05418	1.5
189.16383	1.2
191.10651	2.0
191.14307	1.1
191.17938	5.9
193.04961	8.9
193.12193	0.6
193.15881	1.4
195.02919	1.9
199.14864	0.9
201.12756	10.3
201.16411	2.5
203.14247	1.7
203.17973	0.8
205.04893	0.9
205.12228	1.3
205.15886	1.9
205.19519	8.2
207.06462	1.3
211.06143	3.0
213.03941	25.2
215.05495	1.4
215.14307	2.0
217.05017	2.0
217.19432	0.6
219.13808	16.6
219.17302	0.7
219.21063	5.3
220.14174	1.0
221.15384	3.0
229.07065	1.6
229.19550	0.9
231.04996	40.0
233.06583	5.0
233.15363	3.3
235.06030	5.5
237.14839	6.1
247.04436	0.8
247.16911	2.2
247.20523	0.7
249.03484	0.9
249.06049	14.3
250.06442	0.7
251.16455	1.6
253.07117	4.5
255.04982	4.6
259.04443	1.1
259.16928	0.8
261.18439	1.3
265.18002	1.1
269.06543	1.8
271.08139	1.1
273.06058	78.3
274.06345	1.2
275.19904	0.9
275.44397	0.5
279.05188	0.5
285.06055	1.0
291.07083	2.6
295.08032	0.7
297.06039	4.7
299.03918	0.7
315.07132	11.5
316.07764	0.5
317.04987	0.8
321.05899	2.5
329.24741	1.1
333.08194	4.0
339.07129	16.0
343.26367	1.1
347.25800	0.9
357.08154	13.4
361.27347	3.4
373.27289	1.6
375.09167	1.4
411.36151	2.3
417.10318	0.7
421.34418	1.5
425.07022	2.5
439.35721	9.0
443.08249	12.6
457.30560	0.8
457.36826	15.1
461.09290	25.0
479.10391	13.4
497.11545	2.2
514.13611	0.6
693.37225	0.5
944.50879	0.7
988.52765	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	988.512
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99805	4.3
69.03436	32.5
69.07067	5.6
69.20239	1.2
69.20637	6.4
70.94257	0.7
71.01360	2.7
71.05004	3.9
73.02913	5.4
79.05497	7.2
81.03426	35.7
81.07063	19.0
83.01347	1.9
83.04990	6.2
83.08619	5.2
83.37525	0.7
85.02913	72.9
87.00836	30.8
87.04456	1.2
91.03934	1.0
91.05462	4.6
93.03409	0.8
93.07052	10.9
95.04968	6.9
95.08616	32.2
97.02898	39.6
97.10167	1.6
98.20753	1.6
99.04465	11.9
100.07628	0.7
101.02394	2.4
103.03923	4.7
105.01874	33.8
105.07040	8.2
106.06554	1.8
107.04992	1.0
107.08610	14.7
109.02892	55.1
109.06570	1.1
109.10168	29.5
110.03703	1.4
111.00836	1.0
111.04438	8.1
111.11726	2.1
113.02367	2.1
115.03959	1.3
116.04106	0.8
117.01859	1.5
117.07051	0.8
119.04919	1.2
119.08594	7.3
121.02853	1.1
121.10158	12.7
123.04445	7.2
123.08076	0.7
123.11707	11.7
125.02373	5.6
127.03930	100.0
128.04265	1.1
129.01868	3.9
129.05487	2.0
131.08591	3.1
133.10109	5.1
135.04417	1.7
135.11707	10.9
137.06004	3.2
137.13266	7.5
139.03906	3.1
141.05527	1.8
143.08449	0.8
145.04973	18.2
145.10129	6.1
147.02902	3.4
147.04420	2.4
147.06534	2.6
147.08009	0.9
147.11708	6.5
149.13260	10.2
151.03912	8.7
151.07518	1.1
151.14827	1.6
157.10193	1.3
159.02908	9.4
159.08061	1.1
159.11702	5.3
161.13268	3.5
163.03922	2.0
163.14818	8.2
165.05510	3.1
165.09157	0.8
167.03319	0.8
169.04965	14.7
171.02875	4.5
171.11720	0.7
173.09698	1.4
173.13261	6.1
175.03923	2.1
175.14854	4.7
177.05363	0.7
177.09160	1.3
177.16435	3.5
181.04961	2.6
187.06047	9.1
187.14851	3.0
189.03972	21.4
189.05502	1.9
189.16380	1.4
191.10695	1.9
191.17975	3.4
193.04982	8.8
195.02934	2.0
201.12773	11.1
201.16440	1.3
203.14314	1.3
205.15837	1.1
205.19485	8.9
207.02251	0.7
207.06641	1.4
211.06024	2.5
213.03944	25.0
215.05438	2.1
215.14378	1.5
217.05011	2.2
217.19458	1.0
219.13832	19.6
219.17351	0.9
219.21097	5.6
221.15372	4.7
229.03751	0.8
229.07005	2.1
229.15964	1.7
231.05016	35.2
233.06624	4.9
233.15427	3.5
235.06067	5.6
237.14865	5.5
247.04543	1.1
247.16974	2.8
249.06091	14.3
251.16454	1.9
253.07150	4.3
255.05048	5.7
265.18082	0.9
269.06631	2.6
273.06076	79.0
274.06479	1.5
291.07220	2.7
297.06131	5.5
315.07117	11.2
321.06119	2.8
329.24832	1.4
333.08209	4.0
339.07144	16.1
343.26477	0.8
347.25687	1.0
357.08221	11.2
361.27466	3.4
373.27408	1.5
375.09265	2.2
411.36288	1.9
421.34888	1.6
425.07214	3.2
439.35760	12.2
443.08295	13.3
457.36823	14.9
461.09381	24.7
462.09949	1.0
474.13828	0.9
479.10425	13.6
497.11401	1.6
793.96643	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	988.5114
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99786	4.0
69.03432	37.9
69.07073	7.4
69.07427	0.8
69.36929	3.2
69.37347	0.9
71.01353	2.7
71.05002	3.8
71.36308	0.5
73.02926	4.6
75.04510	0.5
77.03907	0.5
79.05492	6.7
81.03419	37.7
81.06586	1.1
81.07059	21.8
83.01350	1.8
83.04980	7.2
83.08625	5.3
85.02907	82.4
87.00830	33.1
87.04495	0.6
91.04002	1.3
91.05474	5.3
93.07049	11.9
95.01300	0.7
95.04964	6.7
95.08609	36.8
97.02895	39.0
97.06536	0.6
97.10163	2.2
98.20654	0.6
99.04459	14.6
101.02384	2.9
103.03946	5.5
103.05453	0.5
105.01869	37.3
105.07034	6.9
107.04972	1.4
107.07874	0.9
107.08596	16.3
109.02882	61.9
109.06486	0.6
109.10159	32.8
110.03674	0.6
111.00828	0.9
111.04446	8.2
111.08076	0.6
111.11731	1.9
113.02361	1.1
115.03937	1.8
115.05473	0.6
117.01855	2.6
117.07036	1.3
119.04951	1.2
119.08578	7.8
121.02841	0.7
121.10146	15.6
123.04437	8.6
123.08072	0.7
123.11719	12.5
125.02356	4.9
125.06017	0.6
127.03921	100.0
128.04271	0.8
129.01860	4.0
129.05499	2.1
131.08572	4.0
133.06435	0.7
133.10133	6.5
135.04408	1.4
135.11705	10.8
136.50121	0.5
137.02338	0.7
137.05956	2.4
137.13261	7.0
139.03909	4.4
141.05482	1.4
143.03444	1.3
143.08543	1.2
145.04968	20.5
145.10133	6.6
147.02925	3.2
147.04346	2.2
147.06564	1.5
147.08057	0.9
147.11697	7.8
149.02361	0.5
149.13269	12.0
151.03905	9.0
151.07579	1.5
151.14821	1.1
153.01840	0.8
153.05498	0.7
157.10143	1.5
158.10860	0.9
159.02893	10.2
159.04118	0.9
159.06578	0.7
159.08025	1.2
159.11685	5.4
161.04544	0.5
161.06076	0.7
161.09630	0.6
161.13255	4.4
163.03886	1.5
163.07527	0.8
163.14822	8.0
164.04695	0.8
165.05511	3.6
165.09135	1.4
165.12790	0.5
169.04967	15.4
171.02913	5.7
171.11740	1.0
173.09656	2.2
173.13278	5.6
175.03934	1.5
175.11212	0.5
175.14838	6.1
177.03944	0.7
177.05472	0.7
177.09134	1.4
177.16388	3.8
179.10605	0.7
179.17938	0.6
181.04965	2.4
183.03058	0.6
185.13280	1.1
187.06030	10.8
187.11192	1.1
187.14816	4.2
189.03955	25.2
189.05428	1.5
189.16426	1.6
191.10733	2.3
191.14264	0.7
191.17920	4.5
193.04973	9.8
193.12273	0.7
193.15948	1.0
195.02896	1.8
197.04474	0.8
199.14735	0.6
201.12750	12.1
201.16441	1.5
203.14319	1.8
203.17961	0.5
205.04953	0.9
205.12244	1.3
205.15933	1.6
205.19521	9.6
207.06551	1.4
211.06018	3.4
213.03940	25.0
213.16377	0.5
215.05554	1.5
215.14337	2.0
215.17923	0.5
217.04941	2.2
217.19501	0.6
219.13815	19.8
219.17235	0.9
219.21068	5.9
221.15356	4.2
229.03488	0.6
229.07051	2.6
229.15825	1.2
231.05002	41.5
233.06587	5.1
233.15367	3.1
235.06007	5.7
235.17014	0.6
237.14885	5.6
239.16820	0.6
245.06717	0.6
245.15262	0.5
247.04498	1.2
247.17001	2.8
249.03477	1.0
249.06061	16.8
251.16342	2.3
253.07118	5.3
255.05074	5.8
259.04401	0.7
261.18600	0.9
265.18039	0.6
269.06622	1.8
271.08258	1.1
273.06055	86.1
274.06418	1.1
275.20145	0.6
285.06265	1.0
289.21802	0.7
291.07202	3.0
297.06082	4.3
303.06998	0.9
315.07092	11.4
321.06116	3.6
329.25052	0.9
333.08203	4.8
339.07126	16.5
343.26407	1.0
347.25787	0.6
357.08145	14.6
357.27737	0.6
361.27393	3.4
373.27344	1.3
375.09280	1.7
377.07037	1.0
387.29068	0.8
393.09982	0.6
411.36139	1.3
417.10114	0.6
421.34769	2.5
425.07166	3.6
439.35733	10.8
440.36230	0.6
443.08228	14.1
457.30515	1.0
457.36765	16.7
461.09274	27.1
462.09436	0.8
479.10294	13.7
493.95996	0.6
497.11353	1.9
795.78601	0.5
988.52795	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.4802
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99799	4.5
69.03427	22.4
69.07069	7.1
69.12869	1.9
71.01363	2.4
71.04979	4.3
71.50057	2.7
73.02920	2.9
79.05489	12.3
81.03420	29.4
81.07055	33.8
83.04993	5.5
83.08620	5.6
85.02911	45.6
87.00833	23.0
91.05480	18.3
93.07051	22.3
95.04985	5.6
95.08611	50.0
97.02901	28.2
97.06521	2.8
97.10172	3.1
99.04458	8.5
103.03953	3.8
105.01885	14.0
105.07042	29.5
107.05009	3.0
107.08601	35.2
109.02882	31.8
109.10155	34.2
111.04459	5.5
117.07012	7.2
119.08575	27.7
121.10144	31.1
123.04403	5.0
123.08120	2.4
123.11708	10.5
127.03923	52.5
129.01874	2.5
131.08565	12.0
133.10121	26.9
135.11700	21.6
137.13239	3.5
139.03914	2.3
143.08531	4.5
145.04967	7.0
145.10126	22.3
147.04436	2.4
147.11678	33.8
149.13269	27.5
151.03920	4.0
159.02852	4.1
159.11703	14.2
161.13260	54.2
163.14838	24.9
165.05528	1.8
165.12729	3.4
167.37794	1.8
169.04950	8.0
171.02876	2.6
173.13284	11.0
174.84286	1.9
175.04007	2.2
175.14815	12.4
177.16457	11.3
179.14355	6.7
187.06030	6.3
187.14806	12.6
189.03954	7.2
189.16397	29.6
191.17958	17.0
193.04985	4.5
193.15952	2.3
199.14871	2.4
201.16389	19.3
203.17986	9.6
205.15910	9.5
205.19589	2.0
207.17444	77.3
213.03975	7.0
213.16257	2.7
215.18013	8.7
217.15892	6.7
217.19518	5.8
219.17447	46.7
221.19029	3.0
227.18036	3.2
229.19472	9.1
231.04987	11.9
231.21146	2.8
233.18994	5.5
241.19698	2.0
245.19078	3.7
247.20604	7.8
249.05972	2.5
255.05057	3.9
255.21132	2.6
259.20587	2.8
273.06134	21.7
273.22107	2.5
339.07135	6.3
351.30557	5.4
369.31528	6.9
379.33914	2.0
391.33527	7.0
397.34601	15.1
409.34662	100.0
410.34726	4.4
427.35779	38.7
437.33948	4.3
443.08328	3.8
455.35248	33.6
456.35153	2.7
461.09146	5.7
464.13318	2.2
473.36270	20.5
498.91464	2.4
565.14722	2.1
568.73407	2.3
948.15057	2.3
1005.10724	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	984.5897
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03425	7.6
69.06735	2.0
69.07069	23.6
71.04990	1.6
73.02922	1.7
79.05489	39.0
81.03407	4.7
81.06599	2.2
81.07054	39.9
83.04962	5.1
83.08623	9.9
83.59753	1.2
85.02890	5.5
85.06513	1.3
91.03950	2.1
91.05482	24.6
91.61482	1.1
93.07038	37.8
95.04974	7.5
95.08604	27.8
97.02880	11.7
97.06494	3.8
97.10165	12.0
105.07030	22.8
107.04942	7.8
107.08580	19.2
109.06508	3.9
109.10140	15.9
111.08096	1.6
115.05447	2.3
117.07012	8.3
119.04901	2.0
119.08601	13.4
121.06470	2.5
121.10150	15.3
123.08064	3.7
123.11710	2.9
125.09626	8.0
129.06975	3.0
130.07719	1.7
131.08556	13.8
133.06483	3.0
133.10112	9.0
135.08035	4.6
135.11685	6.7
137.09622	1.6
140.91183	1.2
143.08522	3.5
144.95677	1.4
145.10114	7.4
147.08015	4.9
147.11656	5.1
149.09624	2.9
149.13231	4.4
157.10112	3.3
159.11671	4.4
161.09605	2.6
161.13251	2.4
163.14714	2.1
171.11713	2.4
173.13216	2.4
175.11183	2.1
183.11617	1.4
187.14856	2.3
189.11227	3.2
205.12260	2.4
223.13275	19.8
223.15218	2.1
227.01448	1.2
227.12717	5.1
243.20923	1.8
249.14879	4.2
261.22232	6.9
273.18491	12.7
291.19528	100.0
292.19827	1.4
317.24826	2.5
335.25797	68.4
347.22272	3.0
365.23218	57.6
545.38550	6.6
607.43060	3.3
618.18518	1.3
625.44592	85.4
626.44757	3.9
643.46069	1.7
984.55768	15.8
985.55341	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.6049
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03436	5.7
69.07070	18.9
71.04977	4.1
71.08636	1.2
71.49561	1.5
71.98575	1.0
73.02906	2.0
77.03912	1.3
79.05494	55.8
80.05828	1.2
81.03410	9.0
81.07056	66.8
82.07417	1.2
83.04983	7.1
83.08620	12.1
85.02914	10.2
85.06539	2.9
87.04473	1.2
91.03976	4.9
91.05483	44.5
93.07043	58.2
93.97884	0.9
95.04970	8.9
95.08607	47.6
97.02895	7.4
97.06532	9.3
97.10165	7.8
99.04462	1.9
99.08088	2.2
103.05462	1.6
105.04533	1.5
105.06322	1.2
105.07033	35.4
107.04962	5.1
107.08591	37.9
109.02930	1.7
109.06514	5.2
109.10153	23.6
111.08096	5.5
113.09646	1.2
115.05416	1.2
117.07011	14.5
119.08593	24.7
121.06508	3.1
121.10141	25.8
123.08060	3.3
123.11710	6.5
125.09634	5.8
127.03920	4.0
128.06227	1.8
129.05498	1.4
129.06996	6.1
130.07780	1.4
131.08556	20.1
133.06458	2.1
133.10129	20.0
135.08073	3.0
135.11690	16.2
137.09625	3.0
139.11235	1.7
141.06996	1.5
142.07809	1.2
143.08575	6.7
145.04988	2.7
145.06433	1.5
145.10126	16.8
147.08058	1.8
147.11670	12.8
149.09630	7.8
149.13293	9.3
151.11183	2.7
151.14828	1.2
155.08601	2.7
157.10123	5.1
159.11700	11.9
161.09671	1.5
161.13283	6.8
163.11182	3.9
163.14833	3.7
165.12755	1.2
167.12428	1.0
169.10138	1.8
171.11699	4.4
173.04428	2.7
173.11873	1.8
173.13213	7.2
175.11220	1.9
175.14798	2.9
177.12802	2.7
179.14305	1.8
183.11729	3.3
185.13234	3.3
187.11139	1.3
187.14787	2.1
189.11137	2.4
195.13860	2.6
197.13190	2.9
199.14771	2.1
201.16362	1.2
203.14316	1.2
213.16444	1.7
217.15923	1.3
219.17409	1.7
225.16443	1.4
227.12772	6.9
229.14279	8.4
229.19608	1.3
235.16960	1.7
239.17990	2.8
243.21083	3.8
247.20645	1.1
255.15964	3.9
257.19040	6.3
259.20523	2.7
261.22131	11.7
266.74841	1.3
269.17462	13.6
275.20068	27.4
291.19696	1.4
293.21011	2.4
309.20523	2.3
317.24661	2.8
331.22855	3.1
333.24228	2.6
335.25803	100.0
336.26019	2.7
349.23761	29.6
350.24011	1.2
367.24823	2.6
413.21594	1.2
465.62158	1.0
489.35919	5.0
505.35168	2.3
511.37256	1.2
515.37366	13.6
529.38904	51.4
530.39038	2.7
535.41699	1.1
543.40552	2.1
569.42072	14.6
570.41785	1.2
609.45062	43.9
610.45093	1.9
627.46313	9.6
673.42761	2.6
864.88940	1.1
933.80054	1.1
986.57532	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	984.4801
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03418	3.6
69.07061	5.3
70.14275	3.6
72.89991	1.1
76.84513	1.0
79.05473	2.7
81.03418	5.9
81.07062	9.6
83.04997	2.3
83.08601	1.6
85.02908	10.8
86.09740	1.0
87.00830	3.2
91.05485	4.1
93.07042	10.1
95.04967	3.7
95.08619	9.4
97.02907	6.4
97.03903	1.1
98.20858	1.4
99.04482	2.0
99.08152	1.0
105.01869	3.8
105.07023	7.7
106.22247	1.1
107.08601	12.5
109.02905	7.0
109.06535	1.4
109.10139	4.9
119.08588	9.4
121.06511	3.9
121.10141	8.9
123.04508	1.8
123.11743	3.4
127.03912	8.7
129.05603	1.3
129.07021	1.3
131.08546	2.3
133.10161	8.2
135.08118	1.6
135.11713	8.0
137.13248	1.8
143.08632	1.2
145.10107	5.7
147.11696	6.5
149.09653	1.7
149.13287	3.2
159.11664	2.5
161.09602	3.0
161.13275	3.3
163.07538	4.7
163.14859	3.1
165.05409	1.1
171.11703	2.8
173.09689	2.7
173.13271	3.6
175.11215	4.1
175.14816	11.2
177.16379	3.5
185.09607	1.3
185.13286	2.2
187.11206	2.0
187.14818	5.0
188.83755	1.1
189.03960	2.8
189.16403	9.0
191.14330	1.7
191.17938	1.5
199.14761	1.4
201.12755	4.1
203.14262	2.7
203.17949	1.7
205.15865	1.6
213.03894	1.8
215.14363	1.7
217.15912	5.5
219.17503	1.8
227.14745	1.3
231.04926	1.6
233.15384	16.4
235.16922	2.1
245.15411	2.6
245.19017	3.6
247.16809	1.2
251.16437	4.1
257.19000	10.5
259.20569	1.6
269.64417	1.4
271.20667	1.6
273.06030	6.3
299.20053	4.3
301.21619	1.5
317.21384	1.3
339.06979	1.5
357.27667	1.5
365.25049	1.4
389.32031	1.9
393.31537	7.1
411.32660	9.2
417.31516	3.2
417.73526	1.3
425.34158	3.7
435.32547	22.9
453.33673	100.0
454.33960	4.9
461.09146	1.9
471.34747	63.0
472.35031	1.8
701.37872	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	980.596
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03408	1.1
69.07083	0.7
71.05001	0.5
71.49008	0.7
73.02922	2.3
73.06549	2.5
77.03932	0.9
79.05496	10.5
81.03422	0.8
81.07056	1.6
85.02902	0.5
86.09721	0.5
87.04471	12.7
89.06032	63.1
91.05480	17.5
93.07047	3.3
95.04971	2.8
95.08607	1.2
97.02899	1.0
97.06541	1.6
102.25321	0.4
103.05466	9.4
104.10769	0.8
105.04518	1.3
105.07032	100.0
106.07339	0.8
107.04966	2.6
107.07067	1.4
107.08581	0.4
109.02837	0.5
113.06039	0.7
115.05461	1.1
116.06238	0.8
117.07002	2.2
117.09109	2.4
119.04940	1.1
119.08586	8.2
121.06501	13.4
121.10120	0.7
125.90990	0.4
128.06229	2.4
129.07008	4.9
130.08644	1.4
131.04935	0.5
131.07074	4.4
131.08565	10.4
132.05705	2.0
133.06502	1.3
133.08606	40.6
133.10188	1.5
134.08936	0.4
135.08043	0.9
145.06436	1.7
145.10072	0.4
146.05997	1.1
147.06810	7.6
147.08028	48.1
148.07507	0.8
148.08530	0.5
149.09608	9.3
155.05946	0.4
157.10054	0.4
158.07289	0.4
161.11710	0.8
163.07600	0.5
163.11258	0.6
165.06972	0.9
165.09097	0.7
166.07806	0.4
166.91531	0.4
173.09592	1.2
175.09702	3.1
175.11098	0.5
176.07062	3.7
176.10748	0.7
177.07820	1.7
177.11224	13.6
179.08461	0.7
181.10103	1.6
184.07343	0.9
191.10724	0.8
192.09308	0.5
193.12292	0.6
200.10736	0.5
204.10182	1.7
205.10910	0.4
207.08081	0.5
207.11737	0.6
208.08839	0.5
219.12280	1.0
221.09560	0.4
221.13792	2.2
223.11240	2.4
225.12738	25.6
226.13170	0.5
227.12833	0.7
229.10849	0.8
230.11717	0.7
237.12811	0.7
239.14812	0.5
249.12747	4.5
251.14322	4.2
265.16357	0.6
267.13797	0.8
269.15329	1.5
271.15311	0.7
272.12903	0.5
273.10684	0.8
273.13614	9.9
274.14191	0.6
283.17548	0.5
309.59338	0.4
311.16418	0.7
313.17825	0.8
327.17200	0.9
329.18857	0.8
335.25977	0.5
373.21622	7.8
383.47919	0.4
417.24014	0.5
422.23224	0.8
440.24020	0.7
472.93707	0.4
514.27496	0.5
613.00226	0.5
657.98926	0.5
756.46930	0.6
774.49078	5.2
818.52051	2.4
835.07770	0.6
936.54742	6.3
962.54718	1.8
963.53967	0.5
980.57654	10.0
981.56885	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	978.564
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03430	15.7
69.07067	5.7
71.01368	0.6
71.04988	1.3
71.49178	0.4
73.02918	3.0
79.05493	3.9
81.03412	6.2
81.07057	16.3
82.65854	0.4
83.08617	4.1
85.02906	100.0
86.03222	0.6
87.04457	1.7
91.03954	4.6
91.05480	3.6
93.07047	11.1
95.04988	0.6
95.08609	35.0
97.02894	25.0
97.06515	0.5
97.10169	2.3
99.04458	4.3
101.02385	0.9
103.03960	0.9
105.07040	8.5
107.08595	17.7
109.02886	8.7
109.06511	0.6
109.10159	28.3
111.08089	1.0
111.11705	1.9
115.03953	1.4
117.07046	1.0
119.08582	10.8
120.14445	0.4
121.06506	0.6
121.10150	19.3
123.08093	0.9
123.10830	0.8
123.11713	12.9
125.09647	0.6
127.03918	27.7
131.08566	3.0
133.10135	7.2
135.08061	0.6
135.11694	15.9
137.05997	0.5
137.13257	5.7
143.08586	0.8
145.04959	59.0
145.10114	4.9
147.08054	0.6
147.11687	8.6
149.12057	0.7
149.13263	13.7
151.07515	0.7
151.14803	0.8
153.09128	0.8
156.92662	0.4
157.10132	1.2
159.08095	0.7
159.11702	8.0
161.09589	0.7
161.13264	8.5
163.06024	27.5
163.11182	0.8
163.14824	9.7
165.09135	0.8
167.10608	0.8
171.11653	1.1
173.09612	1.1
173.13293	6.2
175.11209	0.9
175.14832	6.8
177.09131	1.0
177.16396	6.2
179.10608	0.7
179.16122	0.4
179.17917	1.1
180.08643	0.6
185.13315	0.8
187.11218	1.1
187.14825	6.1
189.16415	4.0
191.10680	1.5
191.17952	53.3
192.18311	0.9
193.12230	1.4
193.19591	0.6
199.14804	0.9
201.10895	0.5
201.12758	7.9
201.16386	3.4
201.96777	0.4
203.14401	1.1
203.17928	2.9
205.12267	1.0
205.15921	1.1
205.19536	6.8
207.13922	1.0
209.15434	1.2
209.39734	0.5
213.16434	1.3
215.14319	1.2
215.17999	1.2
217.19521	4.1
219.13817	15.9
219.17473	1.0
219.21060	6.3
220.14136	0.6
221.15398	3.9
227.17902	0.4
229.15883	1.5
229.19543	1.2
231.17461	0.5
231.21085	1.9
233.15352	3.9
233.22786	0.5
235.16945	1.6
237.14853	7.2
243.21027	0.7
245.15482	0.7
247.16951	8.5
249.18600	1.2
251.16388	2.3
257.22739	0.7
260.20404	0.4
261.18481	1.7
265.17938	1.5
271.08130	1.5
275.20096	1.2
285.25549	0.5
289.09189	3.5
289.21579	0.9
296.42038	0.4
315.23398	0.5
315.27054	0.5
320.86829	0.4
325.11298	16.4
329.24728	1.4
343.26324	1.7
347.25900	0.9
361.27420	3.9
365.31644	0.5
373.27429	1.6
393.35010	0.7
411.36356	3.4
421.34650	5.4
429.37375	2.7
439.35718	67.8
440.36111	2.2
457.36774	46.7
458.37042	1.6
465.85999	0.4
475.37744	0.9
960.52655	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.5754
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	1.9
69.03426	3.4
69.07077	1.1
71.01382	0.9
71.08633	1.5
71.49596	0.6
73.02930	3.7
79.05511	2.0
81.03429	1.8
81.07060	2.5
83.08653	0.7
85.02910	5.7
87.04484	0.7
89.06020	0.8
91.03936	2.4
91.05498	1.2
93.07061	1.1
95.08649	2.1
97.02888	5.3
97.10151	0.5
101.02412	1.2
105.07042	2.3
107.08611	1.2
109.02908	0.6
109.10175	1.0
115.03973	0.6
117.07009	0.6
119.29737	0.5
123.11749	0.5
127.03943	1.4
145.05000	0.8
150.58293	0.6
161.39995	0.6
203.05255	0.7
243.08542	2.2
251.12512	0.6
313.27466	1.5
319.57550	0.5
333.20407	2.6
347.09592	2.0
363.09302	0.6
365.10471	1.0
405.13754	5.4
497.30792	6.1
497.36746	0.5
551.28503	1.9
601.24396	0.6
659.36053	7.1
659.46136	0.7
713.33832	2.0
807.52594	1.3
969.57593	100.0
970.57574	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	968.5731
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	1.4
70.66390	1.7
71.05008	0.8
73.02919	4.1
73.06554	2.1
77.03918	0.6
79.05489	7.0
81.07038	1.3
83.08567	0.6
85.02881	0.7
87.04471	25.5
89.06029	86.5
91.05479	9.1
93.07044	0.7
95.04971	2.6
95.08611	1.4
103.05466	21.8
105.07030	100.0
106.07344	1.4
107.04960	0.8
107.07068	1.4
107.08560	0.6
109.10178	0.6
113.05999	1.8
114.72768	0.5
115.05470	0.6
115.07550	0.9
117.07031	1.2
117.09137	1.9
118.06510	0.5
118.69210	0.5
119.08559	0.9
121.06522	1.0
128.06215	1.8
129.07022	4.7
130.08649	1.7
131.07053	7.8
131.08560	6.3
133.08603	55.9
135.07993	0.5
143.08578	1.0
145.06465	1.8
147.06825	1.3
147.08028	1.2
155.08487	0.7
159.10135	0.7
161.11639	0.6
171.08054	1.9
175.09669	5.1
176.07027	0.6
177.11226	21.6
178.07843	1.1
179.08553	0.9
181.10153	1.4
184.07355	0.9
192.09210	0.7
193.10249	1.3
195.08060	0.6
203.08580	0.8
206.10872	0.7
207.08026	1.0
207.11777	1.0
216.09288	0.6
219.12299	2.4
220.08855	0.8
221.09578	0.9
221.13788	4.7
223.11200	6.0
234.10393	0.7
239.14784	0.8
249.12759	19.4
251.14272	3.8
265.16388	1.5
283.17426	0.7
293.15195	0.7
309.19116	0.5
325.15866	3.3
327.17429	18.5
337.17917	0.6
351.17270	1.1
353.18558	1.3
371.19717	2.6
399.21606	1.1
405.22116	9.5
415.22345	1.1
431.23566	3.2
443.24240	1.8
459.25537	1.0
475.26523	5.1
487.26651	1.1
503.27676	3.1
519.29071	1.2
531.29395	0.9
547.30524	3.1
563.31714	0.6
566.19073	0.6
591.33075	3.6
607.33563	0.6
619.34430	0.8
635.35400	2.2
679.37323	1.4
723.41016	1.2
725.39868	0.7
762.48895	1.8
763.85089	0.6
806.52057	1.2
829.47406	5.3
906.52710	0.6
924.53186	1.5
933.51910	1.6
950.56860	0.8
968.57434	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	964.6207
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	35.9
69.03102	0.5
69.03423	4.5
69.07072	19.0
69.90679	2.5
71.04996	2.9
71.08634	25.1
73.02920	2.5
77.03933	0.6
77.56815	0.5
79.05497	22.6
79.72810	0.5
81.03426	6.3
81.07059	46.8
83.04985	5.8
83.08624	14.7
85.02456	0.5
85.02912	9.0
85.06518	2.2
85.10185	16.8
87.04423	0.8
89.06008	1.7
91.03967	3.5
91.04430	0.7
91.05484	22.2
93.07047	26.3
95.04980	5.2
95.08610	35.2
96.57690	0.5
97.02313	0.6
97.02896	6.9
97.06033	0.5
97.06533	6.5
97.09643	0.7
97.10167	7.4
98.20788	0.5
99.04440	1.6
99.08061	1.8
99.11749	1.1
101.05984	0.7
103.05447	0.7
103.07563	1.2
105.04502	1.0
105.07035	15.8
107.04954	3.8
107.07899	1.1
107.08599	17.8
109.02853	1.6
109.06521	2.8
109.10159	15.6
111.04452	0.8
111.08096	2.5
111.11681	1.9
115.05410	0.9
117.07025	8.4
117.09124	1.1
119.07813	0.7
119.08585	10.5
121.06518	2.5
121.10153	9.4
123.08066	1.6
123.11694	4.9
125.09598	2.1
125.13239	0.6
127.03926	4.0
128.06152	0.6
129.05502	1.1
129.07027	3.2
131.08569	11.4
133.06448	0.7
133.10143	11.5
135.08075	3.2
135.11691	7.5
137.09608	1.3
137.13240	2.0
139.11169	0.9
141.06941	0.8
143.08565	3.1
145.04944	1.6
145.06448	0.9
145.10118	7.2
147.07976	0.9
147.11674	4.8
149.09627	5.1
149.13264	7.3
151.11201	1.0
155.08533	0.7
157.10086	2.7
159.10493	0.6
159.11714	7.0
161.09598	1.0
161.13191	2.5
163.06065	0.9
163.11195	3.1
169.10115	1.1
171.11569	1.1
173.04420	1.9
173.11844	1.0
173.13237	2.9
175.11165	0.6
175.14748	0.8
177.12811	2.5
179.14319	1.1
181.76329	0.5
183.11642	1.2
185.13239	1.7
187.11166	0.7
187.14809	0.8
189.12794	0.7
195.13808	2.9
197.13268	0.6
199.14784	0.5
201.16426	0.5
203.14398	1.1
215.17847	0.6
217.15895	1.4
219.17334	0.6
219.76700	0.5
227.12744	2.9
229.14333	2.0
229.19490	1.0
235.16890	0.7
239.17966	1.9
239.23730	3.2
247.20569	0.9
255.15909	3.1
257.19019	4.8
257.24808	2.8
267.15918	1.1
269.17493	18.3
275.20071	14.5
291.19589	1.0
293.21097	1.7
296.38669	0.6
298.27353	0.5
309.20419	2.7
313.27374	100.0
314.27661	2.0
331.22711	3.1
339.18036	0.6
349.23776	14.8
367.24570	2.5
413.21939	1.7
467.37387	3.9
483.36688	1.4
493.38873	16.7
494.39084	0.7
507.40469	80.5
508.40616	2.7
521.42151	1.5
523.40222	1.1
529.42542	0.7
547.43701	10.4
569.45099	0.7
587.46710	27.6
588.46918	1.3
605.47858	7.1
611.40680	0.6
651.44458	2.5
713.49530	0.7
749.51685	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.5268
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	0.6
69.03436	0.8
69.07088	0.6
79.05497	1.1
81.07066	0.6
91.05487	1.7
95.08605	1.2
97.02901	1.1
105.07026	1.0
108.92291	0.6
109.06531	0.5
111.73808	0.5
121.06502	0.6
127.03999	0.7
133.10217	0.6
137.05972	0.8
156.04623	0.7
157.13614	0.6
389.33533	0.6
468.13885	0.6
469.14740	4.0
470.15521	1.3
471.16919	0.8
482.15744	4.3
483.16748	5.6
484.17279	1.5
485.18317	0.8
495.16891	2.3
496.17343	4.1
497.18246	25.9
498.18954	2.7
510.18948	2.0
511.19815	3.3
515.19177	1.4
528.16455	0.9
529.17816	0.6
542.17493	0.6
555.18707	2.6
556.19696	2.1
557.20190	2.8
573.19800	0.7
582.60529	0.6
616.21448	1.2
643.23938	9.1
644.24725	8.1
645.23444	1.2
657.25775	6.8
660.24188	2.4
675.26611	100.0
676.26935	6.6
964.53827	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.4331
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	1.0
70.89307	0.9
70.89653	1.3
79.05478	1.8
89.85399	0.8
91.05506	1.2
93.07015	1.2
95.08584	1.2
105.07007	0.8
107.08583	1.3
131.08586	0.8
135.03203	0.8
137.05956	1.5
163.03755	0.9
207.31343	0.8
420.68683	0.9
455.00641	1.0
467.17499	1.7
468.14157	1.8
469.15100	5.6
470.15756	1.4
481.15808	1.0
482.15775	6.7
483.16663	7.1
484.17413	1.0
485.18253	1.2
495.16324	2.8
496.17230	3.5
497.11044	1.4
497.18256	26.5
498.18698	5.4
510.18491	1.3
511.20190	4.0
515.18805	1.2
528.16022	1.9
542.18311	1.5
555.18726	2.4
556.19244	2.3
557.19897	2.7
569.19781	0.9
616.21265	1.4
643.24023	8.8
644.24695	9.4
645.24127	1.0
657.25623	7.6
660.23975	1.8
675.26642	100.0
676.26953	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	962.6053
Annotation	Unknow
Peak:m/z	Relative Intensity
67.04768	1.2
67.05178	5.5
67.05468	18.2
69.03442	4.8
69.07076	18.0
69.07436	0.5
70.08803	1.9
70.09158	0.3
71.04955	1.3
71.08636	16.2
73.02891	1.0
78.43894	0.4
79.05500	12.6
81.03434	2.6
81.07060	19.2
83.04997	2.3
83.08625	10.4
85.02901	3.8
85.06503	1.0
85.10188	10.1
89.06007	1.6
91.03964	2.4
91.05487	8.3
93.07047	9.8
95.04474	0.4
95.04979	4.7
95.08614	18.9
96.04487	0.5
97.02902	8.0
97.06525	2.2
97.10178	11.4
99.04443	0.5
99.11742	0.6
101.37038	0.4
103.07537	1.1
105.04530	0.4
105.06428	0.5
105.07033	6.9
107.04965	4.3
107.08598	7.8
109.02843	0.8
109.06471	1.5
109.09495	0.6
109.10161	9.1
111.08036	0.7
111.11700	0.5
115.05421	0.6
115.11176	0.9
117.07031	4.0
117.09106	1.0
119.04973	0.6
119.08602	6.9
121.06466	1.8
121.10170	2.8
123.08035	1.9
123.11743	2.5
125.08777	0.5
125.09644	6.9
127.03879	0.9
129.06995	2.7
130.07751	0.8
131.08566	3.5
133.06496	1.5
133.10132	2.4
135.08043	3.1
135.11649	1.3
137.09593	1.3
137.13300	0.6
139.11060	0.5
142.07745	0.5
143.08586	2.1
145.04965	1.1
145.10091	2.9
147.08061	3.7
147.11664	1.8
149.09586	0.8
149.13205	1.3
151.11145	0.5
153.09155	0.6
157.10114	1.8
159.11682	2.0
161.09575	1.6
162.10426	0.6
163.11185	0.9
165.09181	0.6
171.11615	0.9
173.15372	1.0
175.11154	1.1
177.12813	0.6
179.08372	0.4
179.10616	0.8
185.13254	0.8
189.11218	2.0
193.12216	0.6
193.45563	0.4
205.12198	1.1
211.13336	0.5
223.13307	13.0
227.12839	2.1
227.17900	0.6
239.23714	1.8
245.18915	1.1
249.14780	1.6
255.17572	0.6
257.24713	1.0
261.14645	0.5
267.16037	0.5
273.18500	8.4
291.19562	58.5
292.19830	1.3
309.20630	0.9
313.27383	70.3
314.27774	1.4
347.22217	1.9
365.23257	34.2
366.23419	0.7
483.37064	1.3
505.38910	1.0
523.39923	3.7
535.39661	0.6
585.45203	2.0
603.46240	100.0
604.46350	3.6
621.47406	0.8
667.43335	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	962.6056
Annotation	Unknow
Peak:m/z	Relative Intensity
67.04812	1.5
67.05193	3.9
67.05509	18.2
69.03423	4.5
69.07072	14.9
71.04980	0.9
71.08639	16.2
73.02928	1.1
77.76104	0.6
77.77996	0.7
79.05497	11.9
80.05865	0.7
81.03430	2.3
81.06599	1.4
81.07062	18.1
83.04990	1.9
83.08625	11.4
85.02921	3.7
85.10192	8.9
89.06041	2.4
91.03957	1.9
91.05493	9.9
93.07054	8.5
95.04982	5.1
95.08611	17.4
97.02901	6.9
97.06544	2.2
97.10173	8.5
98.21130	4.7
99.04469	0.8
99.11729	0.8
105.04533	0.6
105.07038	7.7
107.04977	4.2
107.08596	7.1
109.02885	1.1
109.06508	1.5
109.10161	10.5
111.08105	1.7
111.11655	1.0
113.37809	0.7
115.05523	1.0
115.11226	1.9
117.07041	3.4
117.09132	1.2
119.08574	6.2
121.06521	2.1
121.10165	3.1
123.04467	0.7
123.08070	2.2
123.11703	3.1
125.09646	6.3
125.13218	0.8
129.07027	1.3
131.08574	4.3
133.06506	1.8
133.10138	2.6
133.62462	0.7
135.08080	2.3
135.11734	1.7
137.09616	1.3
137.13248	0.8
142.07806	0.9
143.08601	2.2
145.10146	3.4
147.08078	2.4
147.11641	1.1
149.09622	1.4
149.13268	1.1
153.33606	0.6
157.10156	1.5
159.08138	1.0
159.11717	1.8
161.09680	2.2
165.09206	0.8
171.11691	0.8
173.15373	2.1
175.11250	1.5
189.11278	1.6
189.12825	0.7
205.12265	1.2
223.13318	11.0
227.12842	2.5
229.12035	0.7
239.23715	1.7
240.73816	0.8
249.14935	1.6
255.99690	0.7
257.24872	0.9
263.19907	0.9
273.18491	8.3
273.21225	0.7
291.19568	59.5
310.70047	0.7
313.27380	69.6
314.27939	1.7
347.22272	2.5
365.23270	33.5
366.23776	0.7
427.56232	0.9
469.64114	0.8
483.37256	1.1
498.90765	0.8
505.38989	1.4
523.39612	3.7
585.45117	1.7
603.46240	100.0
604.46832	3.7
667.44647	0.9
841.22522	0.8
957.73395	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.6154
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05510	46.4
68.96288	0.4
69.03443	2.5
69.07074	11.8
69.82072	0.5
69.84124	2.6
71.04977	1.8
71.08624	0.9
72.24561	0.5
73.02935	2.5
73.51971	0.4
79.05497	32.4
81.03404	1.5
81.07061	50.4
82.07381	0.7
83.04983	1.4
83.08620	5.7
85.02913	12.5
85.06530	2.0
87.04450	1.1
89.06022	0.8
91.02499	0.5
91.03432	0.8
91.03966	8.9
91.05487	20.3
93.07050	37.8
95.04984	2.6
95.08612	40.8
97.02895	7.6
97.06529	2.6
97.10161	2.8
98.21441	0.7
99.04463	0.8
99.08086	1.3
101.02502	0.5
103.05480	0.9
105.04495	0.6
105.07037	16.5
107.08602	22.5
109.06516	1.3
109.10165	16.2
111.08076	1.3
111.11726	0.8
113.09649	0.7
117.06351	0.6
117.07036	6.2
119.08591	13.1
121.10158	19.0
123.08074	1.6
123.11704	6.3
125.09624	0.7
127.03901	4.1
129.06993	2.0
131.08582	10.3
132.92647	0.5
133.10139	11.0
135.08060	0.9
135.11699	13.0
137.09616	0.8
137.13208	2.8
139.11179	1.1
143.08594	1.4
145.04993	5.1
145.10127	11.1
147.11700	9.0
148.64931	0.5
149.09631	1.0
149.13260	7.7
151.11186	1.0
151.14856	1.1
155.08568	0.7
157.10138	2.2
159.11720	9.4
161.13260	7.2
163.06030	7.5
163.14816	6.5
165.16414	0.5
169.10086	0.7
171.11748	2.1
173.13257	7.1
175.14810	4.7
177.12747	1.1
177.16365	2.9
179.14247	0.5
185.13295	2.8
187.14862	4.0
189.16385	1.3
193.16011	0.6
199.14830	1.9
201.16377	1.8
203.17885	0.8
211.14903	0.8
213.16376	0.9
215.17969	0.9
217.19380	0.9
219.21143	0.6
231.21068	0.7
233.22722	0.9
241.19707	3.6
243.21136	8.1
245.22678	0.8
249.06813	0.5
259.20596	8.7
261.11743	0.5
261.22153	16.9
263.23648	1.8
273.22183	0.5
277.21689	0.8
285.22141	0.8
299.23703	0.8
303.23062	0.6
315.23291	0.9
317.24686	3.1
331.22592	0.6
333.24176	6.1
335.25815	100.0
336.26273	2.8
337.27402	10.4
338.27728	0.5
451.35446	0.6
462.59900	0.5
489.36020	0.8
503.42575	1.0
521.43726	3.2
529.38397	0.5
539.44159	1.3
543.40076	0.7
595.47253	15.2
613.48340	19.5
614.48572	0.6
917.01385	0.6
956.02850	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	956.631
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	88.4
69.03424	5.4
69.06731	3.3
69.07072	30.0
69.42958	1.9
69.43821	2.7
69.44212	13.2
71.05006	2.3
71.08632	3.8
73.02905	5.7
76.05404	2.3
78.78564	2.1
79.05496	53.7
81.03397	3.2
81.07062	100.0
83.08623	21.7
85.02909	27.5
89.05992	2.2
91.03964	18.1
91.05480	33.7
91.58257	1.9
93.07045	66.5
95.04999	3.5
95.08610	78.0
97.02902	16.1
97.06538	4.8
97.10155	9.8
99.08075	2.9
101.75956	2.0
105.04558	2.2
105.07031	24.2
107.08601	33.6
109.10174	36.9
111.08107	3.7
117.07037	10.2
119.08569	23.0
121.10150	27.3
123.11713	15.8
127.03918	7.5
129.07008	3.6
131.08585	14.2
133.10173	17.8
135.11697	19.4
137.13228	5.3
143.08519	2.8
145.04936	7.5
145.10130	12.4
147.11743	13.5
149.13274	13.7
151.14876	3.6
159.11682	9.0
161.13281	9.7
163.06036	12.3
163.14803	5.8
171.11739	2.4
172.42368	1.9
173.13275	5.5
175.14861	6.6
177.16414	3.7
187.14796	3.1
187.63451	2.0
199.14821	2.0
201.16493	2.7
219.21111	2.5
223.66428	2.5
239.25925	2.2
241.19553	3.4
243.21059	10.9
245.22702	4.4
259.20602	5.8
261.22150	24.0
263.23691	6.2
282.82669	2.3
310.92307	2.1
317.24805	5.2
333.24280	7.2
335.25821	85.7
336.26331	4.5
337.27390	98.4
339.29041	6.1
512.72626	2.2
514.29407	2.6
523.45288	3.7
597.48889	40.6
615.49866	51.6
616.49792	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	954.6145
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	58.3
69.03422	2.7
69.07069	14.6
71.04986	1.2
71.08636	1.6
73.02915	5.0
79.05492	34.9
81.07056	59.5
82.07391	1.3
83.04965	1.9
83.08614	8.5
85.02905	15.1
85.06553	1.9
87.04467	1.0
89.98619	0.8
91.03960	10.0
91.05479	24.5
93.07044	46.5
95.04952	3.1
95.08607	48.0
97.02879	8.0
97.06522	2.1
97.10166	3.6
99.04505	1.0
99.08092	1.8
105.04498	2.3
105.07030	20.4
107.08596	24.5
109.06496	1.9
109.09475	1.7
109.10159	20.0
110.35466	0.9
111.08115	2.4
115.05471	0.9
117.07024	7.7
119.08588	15.7
121.09334	1.5
121.10147	20.2
123.11704	9.1
127.03924	3.9
131.08565	13.6
133.10130	15.4
135.08058	1.1
135.11687	16.0
137.09538	0.9
137.13239	2.5
139.11191	1.1
143.08542	2.3
145.04962	5.8
145.10141	11.0
145.12184	0.9
147.11684	11.6
149.13274	9.2
157.10153	3.4
159.11726	10.0
161.13268	8.4
163.06012	6.9
163.14842	5.1
171.11681	3.0
173.13229	9.4
174.28781	0.9
175.14819	4.0
177.16335	1.5
185.13260	3.0
187.14830	3.7
189.16382	1.4
199.14890	2.0
201.16373	2.3
203.18005	1.1
231.21039	1.2
241.19652	4.3
243.21085	5.5
259.20547	8.7
261.22156	19.5
263.23691	2.1
277.21356	1.1
279.23395	0.9
315.23087	1.2
317.24631	2.5
333.24240	9.2
335.25793	100.0
336.26138	2.1
337.27390	13.7
423.68796	1.0
521.43109	2.0
539.44879	1.2
595.47290	15.1
613.39044	1.5
613.48309	20.9
613.58728	1.5
614.49194	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.4741
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	6.9
68.99776	2.3
69.03436	11.3
69.07066	7.6
71.04987	2.3
71.08641	1.6
71.49809	1.2
73.02915	1.4
74.88770	0.8
79.05501	6.1
81.03426	10.3
81.07059	11.2
83.04994	4.4
83.08636	4.4
85.02444	1.3
85.02908	18.6
87.00839	8.4
91.03984	1.0
91.05486	8.4
93.07047	18.2
95.04969	2.6
95.08610	21.2
95.47073	0.9
97.02895	9.9
97.06531	3.8
97.10155	2.3
99.04445	2.8
99.08035	1.0
103.03939	2.1
105.01867	7.1
105.07032	15.4
107.04966	1.1
107.08601	18.3
109.02877	12.8
109.05842	1.1
109.06490	5.0
109.10162	14.5
111.04457	1.2
111.08073	3.8
117.07005	1.9
119.08580	25.1
121.06516	1.2
121.10149	18.8
123.04420	2.5
123.08115	4.1
123.11701	7.7
125.02340	1.0
127.03922	20.1
129.07053	2.2
131.08562	6.0
133.06505	0.9
133.10136	22.2
135.08096	1.2
135.11691	17.0
137.09619	3.4
137.13231	2.0
139.11188	5.6
142.07854	0.9
143.08562	4.7
144.09366	1.2
145.04955	2.7
145.10114	12.7
147.11703	19.2
149.09665	1.3
149.13264	6.2
151.03941	2.0
151.11195	6.4
156.09300	0.8
157.10144	6.2
159.02859	2.3
159.11690	14.3
161.09605	1.0
161.13277	8.3
163.11176	1.9
163.14871	2.5
165.12772	2.0
167.10754	0.9
169.04944	2.2
169.10068	1.3
171.02861	0.9
171.11671	7.1
173.13216	6.0
175.11205	2.9
175.14809	9.7
177.16408	2.1
183.11717	2.5
185.13269	6.2
187.05986	2.0
187.14810	7.8
189.03935	3.8
189.12776	1.7
189.16380	3.6
191.17943	3.7
193.04906	1.7
193.15894	15.0
197.13303	2.1
199.14830	3.3
201.16409	16.2
203.17978	22.4
211.14738	1.5
213.03928	4.2
213.16396	10.2
215.17979	2.7
217.19453	1.0
221.15291	1.5
225.16415	1.7
227.17982	6.2
228.09076	0.9
229.19510	1.8
231.04907	4.6
231.17442	10.0
233.18983	1.0
239.17947	1.2
241.19484	3.7
245.19028	3.5
249.18541	14.6
253.19623	1.1
255.20969	0.9
259.20615	1.1
263.20163	1.0
267.20825	1.0
273.03409	1.3
273.06064	11.6
281.22662	1.2
283.24213	13.9
285.22336	1.0
315.06998	1.6
325.25015	1.1
339.06973	1.4
346.42883	0.8
357.07886	1.4
379.29971	1.8
403.33643	3.4
421.34668	100.0
422.35040	4.8
439.35812	21.1
440.35638	0.9
443.08252	1.6
457.36893	8.9
461.08810	1.6
491.14862	1.0
539.08551	1.1
687.40686	1.4
836.84406	0.9
953.45551	1.0
983.16888	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.5779
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	0.2
69.03429	0.2
69.59084	1.0
73.02919	0.6
73.06542	1.1
77.03938	0.6
79.05497	5.8
81.03431	0.3
81.07074	0.2
87.03930	0.2
87.04474	7.1
89.06033	35.6
91.05477	2.9
91.06024	0.2
91.07635	0.3
93.07051	0.5
93.54659	0.1
95.04971	1.6
98.21412	0.2
103.05475	5.1
103.06157	0.3
105.07034	100.0
106.07381	0.9
107.04957	0.3
107.07072	0.6
113.06010	0.3
115.05420	0.3
115.07635	0.2
116.06263	0.2
117.07033	0.6
117.09146	1.3
119.04983	0.2
119.08585	0.5
121.06522	2.7
128.06264	0.2
129.07005	1.1
130.08646	0.4
131.07079	2.2
131.08571	6.2
133.08609	24.8
133.10216	0.7
135.93585	0.2
145.06506	0.4
147.08047	2.5
149.09604	0.7
157.10173	0.2
161.11736	0.3
165.07014	0.4
165.09143	0.6
166.07753	0.3
173.09602	0.5
175.09679	1.7
175.11076	0.3
177.11226	9.8
178.07901	0.2
179.08589	0.3
181.10176	0.5
191.10687	0.3
193.12254	0.2
195.08049	0.2
209.09837	0.2
209.11635	0.3
209.13408	0.2
219.12271	0.5
221.13817	1.6
223.11157	0.9
223.15320	0.2
225.12753	6.1
225.14986	0.3
227.12804	0.4
235.14973	0.2
237.13115	0.2
239.14772	0.3
249.12817	0.5
251.14331	11.5
252.14571	0.2
253.15945	3.0
255.15999	0.2
265.16486	0.4
267.13782	0.7
267.17703	0.2
269.15375	1.5
271.15363	0.2
283.17435	0.4
295.16977	0.6
302.68423	0.2
309.19104	0.3
311.16422	0.6
313.18005	1.3
315.17819	0.3
327.17349	2.2
327.20511	0.2
329.19012	9.8
330.19376	0.3
339.19675	0.2
353.18884	0.4
355.20291	0.4
357.20554	0.3
371.19781	0.7
373.21652	4.2
374.22189	0.2
374.27548	0.1
397.23944	0.2
401.23242	0.3
415.22528	0.2
417.24628	0.3
433.24823	0.2
441.26553	0.2
459.25720	0.2
463.26816	0.3
477.27945	3.7
528.31238	0.2
683.99408	0.2
727.42004	0.6
831.48181	0.6
890.55420	0.3
934.58942	0.4
935.54034	0.4
952.56921	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.5779
Annotation	Unknow
Peak:m/z	Relative Intensity
70.74439	0.5
71.04979	0.2
73.02921	0.6
73.06567	1.2
77.03941	0.6
79.05493	6.4
81.03415	0.2
86.00001	0.2
87.03930	0.4
87.04469	6.6
89.06032	36.2
90.06371	0.2
91.05480	2.9
91.07643	0.2
91.26096	0.2
93.07051	0.4
95.04984	1.2
98.20816	0.2
103.05470	5.5
105.07032	100.0
106.07375	1.3
107.04966	0.3
107.07083	0.6
113.06051	0.3
114.18719	0.2
115.05424	0.3
115.07591	0.2
117.07034	0.3
117.09154	1.4
119.04953	0.4
119.08603	0.6
121.06504	3.4
129.07007	1.1
130.08653	0.5
131.07079	2.2
131.08569	6.3
132.32382	0.2
133.08606	25.6
133.10207	0.8
135.10170	0.2
145.06505	0.2
147.08044	2.2
149.09613	0.6
159.10210	0.2
161.11711	0.2
163.11256	0.2
165.06953	0.2
165.09116	0.5
166.07814	0.4
173.09639	0.5
175.09698	1.7
175.11058	0.3
177.11224	9.3
179.08467	0.3
181.10095	0.4
183.11630	0.2
191.10716	0.3
193.12231	0.2
207.11694	0.2
209.11638	0.4
209.13390	0.3
219.12155	0.5
221.13872	1.6
223.11182	1.3
223.15216	0.2
224.12480	0.2
225.12740	5.9
227.12790	0.3
235.14980	0.3
236.12015	0.2
237.12901	0.2
239.14876	0.2
249.12788	0.8
251.14313	11.4
252.14569	0.3
253.15988	2.7
255.15894	0.3
265.16443	0.7
267.13840	0.5
267.17633	0.2
269.15378	2.0
271.15369	0.2
279.15909	0.2
283.17459	0.5
295.16870	0.5
309.18927	0.5
311.16339	0.4
313.18002	1.5
315.18152	0.2
327.17358	2.1
329.19000	10.3
353.18600	0.4
355.20261	0.6
357.20630	0.3
371.19995	0.5
373.21634	4.5
401.23117	0.3
417.24011	0.4
433.25024	0.2
463.26602	0.2
477.27957	3.8
477.34680	0.4
478.28455	0.3
507.58344	0.2
727.42688	1.0
831.47644	0.7
952.56195	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.4586
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05179	0.2
67.05504	3.0
68.99791	1.1
69.03427	9.5
69.07066	7.1
70.01269	1.0
71.01328	0.3
71.04977	0.9
71.08624	0.5
73.02917	1.3
79.05055	0.4
79.05486	3.8
81.03417	9.9
81.06599	0.5
81.07053	6.7
83.01324	0.4
83.04982	1.8
83.08230	0.2
83.08614	2.2
84.00180	0.2
85.02904	16.4
85.06518	0.3
87.00826	8.2
91.03938	0.4
91.05476	6.1
93.07043	7.5
95.04964	2.0
95.08606	10.1
97.02891	7.8
97.06509	1.4
97.10168	1.4
98.20847	0.4
99.04459	3.1
99.08031	0.5
101.02341	0.5
103.03920	0.8
103.05462	0.6
103.17085	0.2
105.01860	4.7
105.04481	0.2
105.07030	14.6
105.55151	0.2
107.04972	1.5
107.08591	20.4
108.08897	0.4
109.02879	9.5
109.06519	1.6
109.09477	0.4
109.10152	4.9
111.04450	1.3
111.08056	0.6
113.02379	0.3
115.03898	0.4
115.05422	0.8
116.06235	0.5
117.01825	0.9
117.07010	1.5
119.04910	0.5
119.08582	19.5
121.02869	0.3
121.06516	3.9
121.10142	9.3
123.04414	1.4
123.08053	0.9
123.11710	1.4
125.02335	0.9
125.05991	1.7
127.03915	15.2
128.06187	0.3
129.01823	1.0
129.05469	0.3
129.06967	0.6
130.07794	0.3
131.08569	4.3
133.10132	14.8
135.08052	4.3
135.11694	10.1
137.05986	1.4
137.09608	0.5
137.13258	0.6
139.03862	0.5
139.07530	1.0
139.11142	0.4
141.05455	0.3
142.07808	0.4
143.08617	1.2
145.04953	3.4
145.06540	0.4
145.10124	6.0
146.10869	0.9
147.02922	0.3
147.04318	0.3
147.06508	0.6
147.08003	0.5
147.11687	15.0
149.05894	0.4
149.09621	3.8
149.13277	1.2
151.03882	1.1
151.07529	0.5
151.11128	0.8
155.08492	0.2
157.10118	1.4
159.02893	3.0
159.08008	0.6
159.11694	1.7
160.12413	0.5
161.09618	0.9
161.13261	3.7
163.07544	15.4
163.11177	1.4
163.13428	0.5
163.14813	9.6
165.05475	0.7
165.09143	1.3
169.04951	2.1
169.10112	0.7
171.02902	0.6
171.11682	1.1
173.09619	3.1
173.13251	0.9
174.14035	0.5
175.03880	0.4
175.11186	0.5
175.14839	0.4
177.09134	1.8
177.16370	1.5
181.04890	0.5
182.11057	0.3
183.11681	0.2
185.13226	0.4
187.05963	1.4
187.11194	0.3
187.14828	4.2
189.03975	1.9
189.16379	100.0
190.16676	1.9
191.10657	1.4
191.14322	1.5
191.18011	1.6
193.05074	1.0
197.13283	1.6
199.11214	0.5
199.14799	0.6
201.12781	0.3
201.16447	0.5
203.18021	0.3
205.15875	7.2
207.17438	32.2
208.17783	0.7
211.06129	0.4
211.14804	0.3
213.03944	1.4
213.16371	1.6
214.45406	0.2
215.14284	2.7
219.17474	0.4
227.17900	0.3
229.15797	0.4
231.04985	3.3
231.17455	1.7
233.15361	62.1
234.15683	1.3
235.06079	0.5
235.16901	0.3
243.17574	0.7
245.19122	0.4
247.16855	0.4
249.06067	0.6
249.16489	0.3
249.18503	6.4
251.16418	10.6
252.16759	0.2
253.07144	0.5
255.05011	0.4
257.18839	0.2
261.18475	2.6
273.06073	6.4
275.20105	0.3
281.18634	0.3
293.22647	0.3
294.69339	0.2
297.06305	0.2
297.22153	0.4
299.20084	0.8
301.21622	0.6
303.23135	0.7
315.07147	0.7
315.22998	1.6
333.08292	0.3
339.07123	0.8
357.08160	0.5
377.28464	0.3
401.32040	0.9
419.27402	0.4
419.33066	5.5
437.34164	35.9
438.34421	1.5
443.08368	0.5
455.35202	43.5
456.35461	1.9
461.09204	0.8
475.20114	0.2
705.95966	0.2
707.83405	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	942.634
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	2.3
69.03420	1.5
69.07063	2.8
71.08637	32.0
73.02921	2.2
73.06546	3.5
79.05481	3.0
81.03407	1.1
81.07047	2.0
83.08646	1.4
85.10191	18.8
87.03934	1.5
87.04473	35.2
89.06037	100.0
91.05490	13.1
93.07055	5.5
95.04971	2.8
95.08599	2.1
97.06493	1.6
98.21523	2.2
103.05476	2.1
105.07049	4.2
107.04960	3.5
107.07076	1.5
107.08595	2.7
109.10175	1.5
113.06010	2.1
117.07018	2.4
117.09126	3.8
119.04941	3.1
119.08591	5.4
121.06514	13.8
121.08819	0.8
121.10180	2.0
127.14832	1.5
130.08635	2.1
131.07054	12.6
131.08569	2.0
133.08615	61.5
135.08047	4.6
135.11722	2.5
136.05209	1.9
137.06006	1.4
145.10129	1.1
147.08026	7.4
149.05893	1.1
149.09625	4.8
149.13326	1.2
150.06798	3.2
159.10150	1.1
163.11191	3.4
165.09140	3.8
173.09676	2.0
173.13336	0.9
175.09679	10.6
175.11060	1.8
177.07912	1.8
177.11252	22.6
177.12730	1.4
184.07391	3.0
191.10689	3.3
193.12297	3.3
209.11699	1.3
211.13278	2.0
219.12309	3.6
221.13858	3.3
235.13264	1.7
247.20578	13.6
253.14290	1.0
255.15965	2.4
265.16531	1.8
273.22153	4.0
274.74924	0.9
279.15866	1.5
289.21872	0.9
289.25186	2.0
291.23218	23.3
299.18661	1.6
309.19043	0.9
317.24716	2.5
330.14221	1.0
333.24167	1.4
335.25854	4.4
381.88089	0.9
475.21628	1.4
622.28052	4.3
623.28113	1.5
706.53314	1.1
708.47705	1.8
752.51080	1.5
880.48248	1.0
925.59930	1.8
942.64166	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	951.4581
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	3.0
68.99776	1.1
69.03431	9.0
69.06726	0.6
69.07066	6.4
70.22301	1.5
71.04974	0.8
73.02911	1.1
79.05486	4.3
81.02988	0.7
81.03419	7.2
81.07056	8.5
83.04971	0.4
83.08609	2.6
85.02907	19.3
87.00829	6.9
87.04462	0.5
91.03992	0.4
91.05469	6.0
92.00465	0.4
93.07047	7.3
95.04959	1.2
95.08606	10.1
97.02888	10.8
97.03508	0.6
97.06524	1.2
97.10156	1.2
99.04458	2.7
99.08114	0.4
105.01865	6.7
105.07032	15.3
107.04956	0.9
107.08593	17.8
109.02879	7.5
109.06516	1.4
109.10146	4.0
111.04451	0.4
111.08094	0.7
115.03886	0.5
115.05445	0.7
117.07024	1.2
119.08582	21.2
121.06513	3.5
121.10142	8.9
123.08102	0.5
123.11708	1.1
125.05985	1.6
127.03921	12.6
129.01808	0.4
129.07040	0.7
131.08549	3.0
133.10132	13.9
133.11104	0.8
135.08067	3.9
135.11690	9.1
135.12700	0.5
137.05977	1.3
137.13239	0.5
139.07512	0.6
143.08554	1.0
145.04950	4.0
145.10120	5.7
146.10872	0.6
147.08002	0.7
147.11697	15.4
149.09596	2.9
149.13286	0.9
151.11198	0.5
155.08463	0.4
157.10121	1.4
159.02904	2.2
159.08052	0.9
159.11690	1.9
160.12454	0.7
161.13260	3.4
163.07552	12.2
163.11169	1.3
163.14824	8.1
165.09102	0.9
169.10117	0.5
171.02914	0.5
171.11739	0.7
172.12453	0.6
173.09583	2.3
173.13234	1.0
174.31595	0.4
175.14883	0.7
175.68420	0.4
177.09131	1.9
177.16386	1.6
185.13275	0.7
187.11119	0.5
187.14815	4.1
189.03970	0.7
189.16382	100.0
190.16725	1.1
191.10661	1.6
191.14255	0.6
191.17958	2.2
197.13235	1.4
199.14772	0.7
205.15906	5.2
207.17442	21.7
213.03931	1.2
213.16411	1.8
215.14359	2.6
219.17393	0.7
225.12614	0.4
227.17966	0.6
231.05006	5.4
231.17456	1.6
233.15363	53.8
234.15689	0.9
241.19443	0.4
243.17438	0.7
249.06068	1.3
249.18488	5.4
251.16423	14.9
251.19011	0.8
261.18427	2.8
293.22623	0.6
297.21857	0.5
301.21530	0.5
303.23169	1.2
315.23294	1.9
401.31943	1.1
419.33191	4.8
435.00040	0.4
437.34171	26.7
438.34384	1.7
455.35223	24.9
456.35727	0.9
703.40259	0.7
741.40930	0.5
951.47253	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.5858
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	1.1
69.03436	3.0
69.07082	0.9
69.54992	1.4
71.01368	0.9
71.04997	0.3
71.08631	1.1
73.02920	2.8
79.05504	0.9
79.52592	0.3
81.03430	1.2
81.07057	1.9
83.08612	0.8
85.02904	4.4
85.10180	0.7
87.04485	0.5
91.03961	3.3
91.05497	0.4
93.07048	0.7
95.08620	1.5
95.64752	0.3
97.02895	5.3
99.04467	0.7
101.02402	1.4
107.08588	0.5
109.02884	0.7
109.10193	1.1
109.60669	0.3
113.71729	0.3
119.08612	0.3
121.10183	0.4
121.65958	0.3
127.03944	1.2
185.04230	0.8
203.05318	0.7
243.08470	1.7
313.27460	0.6
347.09439	2.0
363.09088	0.5
365.10736	1.3
405.13708	4.7
497.30899	4.3
519.29211	3.1
533.66907	0.3
621.78864	0.4
659.36102	6.9
681.34479	2.8
775.53406	0.8
882.84686	0.4
937.58612	100.0
938.58691	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	937.5861
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05518	1.7
69.03438	3.2
69.07078	0.4
71.01376	0.7
71.08653	1.4
71.48695	0.4
71.49089	0.4
73.02913	3.5
79.05513	1.1
81.03432	1.8
81.07068	2.3
83.08636	0.6
85.02906	6.0
85.10209	1.0
89.06049	0.4
91.03970	3.6
91.05482	0.8
93.07082	1.1
95.08626	2.0
97.02905	5.4
99.04457	0.9
101.02392	2.4
109.02905	0.6
109.10204	1.2
115.03988	0.8
121.10194	0.6
123.11744	0.5
127.03934	1.7
133.55797	0.4
145.05086	0.6
185.04279	0.9
203.05296	0.7
243.08537	1.6
313.27411	0.9
347.09509	2.5
365.10748	1.1
379.45224	0.5
405.13623	5.4
497.30972	4.3
519.29419	3.4
536.11438	0.4
659.36078	6.4
681.34686	3.3
775.53442	1.2
937.58661	100.0
938.59033	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	936.5676
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03918	0.5
67.05505	5.4
69.03437	1.1
69.07076	0.9
70.55210	0.4
71.04996	0.5
71.49216	0.6
73.02927	1.9
73.06556	2.3
77.03934	1.0
79.05495	9.5
81.03416	7.2
81.07058	4.9
83.05004	0.5
83.08621	1.7
85.02908	0.7
87.04469	12.8
87.18557	0.3
89.06032	58.0
91.03979	0.4
91.05483	16.3
91.07633	0.4
93.07047	5.4
95.04965	4.3
95.08599	3.2
97.02892	0.8
97.06522	0.5
97.10231	0.5
98.97665	0.4
103.05468	8.5
103.06146	0.5
105.07033	100.0
106.07407	0.4
107.04949	2.8
107.07043	0.6
107.08582	2.2
109.10151	1.8
111.08041	0.6
113.06040	1.0
113.34001	0.4
115.05458	0.8
116.06252	0.7
117.07026	2.7
117.09140	2.0
119.04958	1.3
119.08578	7.8
121.06504	12.6
121.10130	2.2
123.08058	0.4
123.11748	0.5
125.09651	0.4
128.06187	1.9
129.06999	5.8
130.08650	1.1
131.07079	5.4
131.08569	12.0
132.05685	0.9
133.06508	1.5
133.08607	39.8
133.10025	2.1
134.08905	0.5
135.08058	1.0
135.10172	0.6
135.11691	1.1
143.08589	0.6
145.06487	1.5
145.10117	1.2
147.08049	43.8
147.14020	0.4
148.08398	0.5
149.09625	10.0
149.13179	0.4
157.10132	1.3
159.10307	0.4
159.11659	0.7
161.09604	0.5
161.11768	0.9
161.13120	0.4
161.76347	0.3
163.06129	0.4
163.07474	0.5
163.11160	0.5
163.14857	0.5
165.09154	0.9
166.07808	0.7
173.09631	1.1
173.13203	0.5
175.09662	3.2
175.11218	0.9
177.09676	0.7
177.11227	13.6
179.08560	0.6
181.10106	2.0
184.07356	0.7
189.11172	0.4
191.10727	0.4
192.09384	0.4
193.12271	1.8
195.08099	0.4
204.10294	0.5
207.08144	0.4
208.08916	0.8
219.12306	1.1
221.13861	2.4
223.11212	1.9
223.15132	0.4
225.12755	23.2
227.12822	1.1
237.12794	0.6
249.12717	3.9
251.14342	4.3
261.22122	1.6
265.16531	0.7
267.13876	0.5
267.15952	6.6
269.15427	2.1
271.15399	0.5
283.17480	0.5
301.25104	0.4
311.16296	0.8
313.17911	1.2
327.17474	0.6
329.18698	0.6
335.25854	6.6
353.21930	0.5
373.21680	8.6
374.21753	0.5
397.24228	0.4
453.33405	0.5
509.35574	0.5
527.37408	4.9
545.38379	4.2
569.38245	0.8
712.47351	0.6
811.49261	0.4
874.51447	0.6
899.86322	0.5
918.54218	0.6
936.58026	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.5685
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	0.6
67.05512	4.2
69.03426	0.9
69.07081	1.1
70.93950	0.7
70.94275	0.5
71.04987	0.9
73.02913	1.7
73.06566	2.1
77.03915	0.6
79.05500	10.0
81.03432	4.2
81.07061	4.4
83.08633	1.5
85.02905	0.7
87.04480	12.7
89.06038	61.4
90.06378	0.5
91.04906	0.8
91.05486	15.2
91.07600	0.7
92.96082	0.4
93.07041	5.3
95.04987	4.0
95.08607	3.0
97.02863	0.5
103.05473	8.4
105.04554	1.4
105.07039	100.0
106.07372	1.3
107.04961	3.7
107.07076	0.7
107.08595	2.5
109.10162	1.8
111.08052	0.9
115.05465	0.8
116.06250	0.8
117.07066	3.8
117.09140	2.4
119.04968	1.2
119.08585	6.9
121.05674	0.8
121.06512	14.1
121.10136	2.3
123.11729	0.5
125.09633	0.4
128.06216	1.7
129.07002	4.7
130.08632	0.5
131.04921	0.6
131.07091	4.1
131.08577	10.4
132.05724	0.6
133.06491	1.2
133.08614	38.0
133.10048	2.5
135.08031	1.1
135.11703	1.2
145.06500	1.8
145.10147	1.1
147.08057	46.8
147.11688	1.2
148.08386	0.7
149.09630	11.3
156.30971	0.4
157.10127	0.9
159.10324	0.5
159.11664	0.8
161.11702	0.6
165.06979	0.8
165.09120	0.7
166.07770	0.8
173.09706	2.1
173.13254	0.5
175.09663	2.9
175.11198	1.0
175.14880	0.6
177.11246	12.4
179.08522	0.5
181.10126	1.8
184.07318	0.8
191.10683	0.4
192.09378	0.6
193.12224	2.0
195.08028	0.4
208.08859	0.7
209.13255	0.5
219.12251	0.9
221.09659	0.5
221.13812	1.7
223.11198	3.1
225.12759	25.4
227.12874	0.9
249.12782	3.9
251.12221	0.5
251.14380	3.9
261.22113	1.9
265.16360	0.5
267.16031	5.1
269.15491	2.4
283.17462	0.7
295.16766	0.6
299.18677	0.6
311.16251	1.4
313.17880	1.8
313.27280	1.0
315.17731	0.6
327.17358	1.5
329.18875	0.8
335.25830	6.8
353.21555	0.5
373.21655	7.2
417.24411	0.8
506.49973	0.4
527.30426	0.4
527.37427	5.1
545.38269	4.9
569.38202	0.7
623.39276	0.7
684.66156	0.5
712.46875	0.6
874.50488	0.7
892.55420	0.6
918.54218	0.7
919.52161	0.6
936.57837	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.6305
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03967	1.2
67.05507	29.4
69.03451	1.7
69.07069	9.5
69.07411	0.6
69.90340	2.7
70.94440	0.4
71.05017	1.5
71.08635	15.8
73.02900	3.1
79.05495	16.6
81.03448	1.2
81.07059	30.4
83.04993	0.7
83.08620	8.0
85.02909	13.0
85.06532	1.1
85.10184	10.6
85.10652	0.8
89.06071	1.6
91.03954	9.3
91.05482	7.5
93.07047	18.9
93.07640	1.0
94.43997	0.5
95.04996	1.4
95.08610	31.0
97.02897	7.1
97.06533	0.9
97.10170	4.8
99.04535	0.8
99.08148	0.9
103.07610	1.1
105.07034	6.7
107.08596	12.3
107.09288	0.8
109.02895	0.6
109.10160	15.8
111.08132	0.9
111.11735	1.0
115.03965	0.9
117.07004	2.7
117.09206	0.7
119.08587	5.9
121.10145	9.6
123.11701	6.1
127.03939	3.6
129.69685	0.6
131.08551	4.8
133.10146	4.3
135.11696	7.8
137.09679	0.7
137.13274	2.3
139.11205	0.7
141.22705	0.5
145.04961	4.1
145.10147	4.1
147.11711	3.2
149.13274	3.7
151.14861	0.5
159.11690	3.3
161.13293	3.4
163.05992	5.2
163.11237	0.4
163.14836	3.8
173.13300	3.7
175.14839	1.1
177.16437	0.7
187.14856	1.5
201.44426	0.5
203.28853	0.5
233.22716	0.8
239.23805	4.0
243.21107	7.5
257.24750	1.8
261.22153	26.3
262.22415	0.7
279.23364	0.6
299.23795	0.8
313.27377	100.0
314.27707	2.5
317.24820	6.6
327.25174	0.5
333.24173	0.7
335.25806	65.7
336.26053	1.9
338.75891	0.6
499.44684	1.9
573.48810	38.4
574.49036	1.5
576.26801	0.6
591.49841	7.6
652.69348	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	930.6148
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	45.9
69.03424	2.5
69.07071	27.0
69.25526	8.9
71.04982	2.4
71.08633	4.7
73.02911	4.4
79.05495	26.0
79.58516	1.1
81.07057	57.4
83.04974	2.3
83.08618	22.1
85.02898	17.1
85.06529	2.4
85.10186	1.9
91.03967	12.0
91.05475	12.3
93.07045	34.3
95.04975	2.0
95.08608	44.5
97.02905	8.6
97.06518	4.7
97.10163	11.0
99.08076	1.7
105.07023	9.5
107.08594	19.9
109.06588	1.5
109.10164	18.6
111.08094	4.0
111.11734	1.9
117.07008	3.2
119.08585	8.4
121.10140	24.3
123.08122	1.3
123.11712	9.5
125.09624	2.7
127.03920	3.9
131.08586	5.4
133.10139	4.8
133.34462	1.1
135.11696	17.3
137.13271	3.8
139.11185	2.3
145.04948	5.1
145.10139	5.6
147.11705	5.5
149.13242	9.1
152.65431	1.0
159.11668	5.4
161.13242	4.3
163.06018	8.8
163.14861	5.6
173.13319	2.7
175.14793	1.5
177.16362	2.7
187.14812	1.4
201.16476	1.1
203.72845	1.2
219.21114	3.1
233.22766	1.3
235.20387	1.5
237.22144	3.9
243.21120	8.1
247.00766	1.1
261.22186	26.3
263.17615	1.5
299.62070	1.4
309.24249	7.0
311.25824	100.0
312.26105	2.1
317.24689	4.1
335.25809	80.8
336.26053	2.1
337.27457	9.6
353.26849	1.5
497.43442	2.8
505.41943	1.1
571.47266	40.7
589.48334	20.1
590.48401	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	928.599
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	3.7
67.05505	87.3
69.03423	3.9
69.06688	1.5
69.07067	27.1
71.05006	2.4
71.08624	1.3
73.02914	4.7
74.15618	1.3
77.03897	1.2
78.43432	1.3
79.05490	46.0
81.07054	96.9
83.04966	3.2
83.08619	14.7
85.02901	25.7
85.06530	4.9
85.10173	2.3
89.06010	2.3
91.03966	17.8
91.05476	34.5
93.07043	52.1
95.04986	3.2
95.08606	75.0
97.02893	13.3
97.06516	5.7
97.10162	7.0
99.08086	5.3
105.04531	1.5
105.07035	23.9
107.08588	29.8
109.02816	1.5
109.10155	25.4
111.08109	3.2
111.11711	2.0
113.09620	2.1
117.06989	5.7
117.09121	2.2
119.08585	20.2
121.10144	26.9
123.08033	2.2
123.11700	14.0
125.09621	2.7
127.03920	7.5
127.11211	1.3
129.06990	2.0
131.08565	12.7
133.10127	19.0
133.92795	1.1
135.11699	18.6
137.09630	1.8
137.13257	5.1
139.11157	2.3
143.08574	1.3
145.04970	9.3
145.10114	10.2
147.11694	13.4
149.09735	1.4
149.13248	13.6
151.11139	1.4
151.14816	3.5
153.12703	1.4
154.36151	1.3
159.11682	8.9
161.13269	9.5
163.06001	12.3
163.14845	5.3
171.11720	2.5
173.13287	6.2
175.14845	4.7
177.16443	1.7
183.11598	1.4
185.13258	2.4
187.14841	4.1
189.16415	1.8
191.17921	1.8
199.14821	2.3
201.16438	1.2
205.19530	2.1
213.16402	1.5
215.17934	4.4
217.19466	7.4
219.21005	1.5
233.18968	7.0
235.20546	8.9
243.21053	7.4
247.20477	1.9
259.20547	6.0
261.22144	17.1
291.23309	1.6
307.22766	3.7
309.24228	87.5
310.24472	2.9
311.25742	8.5
317.24609	3.4
329.28314	1.3
333.24200	4.1
335.25790	100.0
336.26010	1.6
337.27341	7.5
352.13336	1.3
353.27231	1.2
393.93594	1.3
477.40903	1.7
495.41913	6.2
513.43152	1.6
569.45624	43.1
570.46240	2.6
587.46686	43.1
588.46521	1.8
592.06104	1.5
722.46399	1.9
928.56256	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	928.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	1.3
69.03423	1.4
69.05814	0.2
69.36604	1.1
69.99296	0.3
71.04986	0.3
71.07376	0.2
72.08157	2.3
73.02914	0.2
73.06557	0.3
79.05486	0.2
81.03416	1.5
82.06580	1.0
84.04501	1.7
84.08144	18.3
85.02902	2.5
85.04008	0.2
86.09710	3.1
87.00838	1.2
87.01958	0.7
91.05479	0.2
93.07088	0.2
95.08625	0.2
97.02901	1.2
97.07665	0.4
98.06062	0.8
99.04452	0.6
105.01871	0.4
106.06556	2.1
107.04948	0.2
109.02880	1.3
112.11269	0.5
115.03944	0.2
115.08694	3.0
117.29069	0.2
119.06068	0.2
121.01109	0.2
121.06480	0.3
127.03922	1.7
127.08681	69.4
128.09023	0.5
131.04861	0.2
135.02673	0.2
135.08025	0.2
137.05989	0.3
141.06593	6.1
145.04919	0.4
147.04416	0.5
147.62746	0.2
149.00542	0.5
149.05945	0.5
155.01588	0.3
157.13370	11.0
159.02867	0.5
160.05116	0.2
161.05983	4.0
163.07529	0.6
167.01628	1.7
169.03133	0.2
169.13365	33.4
170.13686	0.3
173.00598	0.6
175.07562	0.6
179.01636	0.9
179.07036	0.3
188.04663	0.6
191.01617	1.4
191.07057	0.6
193.08618	0.2
193.19092	0.2
203.07060	1.0
209.08101	2.8
221.08093	0.7
231.04860	0.2
233.08015	0.3
246.12389	26.0
247.12691	0.4
249.03635	0.2
253.08615	0.2
255.04793	0.2
257.09213	0.4
262.66867	0.2
267.04730	0.5
269.08240	0.2
276.17081	4.2
277.02991	0.2
277.08563	0.3
281.08347	1.5
282.03284	0.2
282.08936	0.2
283.04196	0.8
285.08652	0.7
288.17062	100.0
289.17386	2.2
291.04742	0.2
293.07986	0.4
294.08829	0.2
295.04312	0.8
295.09607	0.7
299.03806	0.4
300.04446	0.3
309.05841	0.5
311.09503	0.2
312.04398	0.5
313.08319	0.4
314.05878	0.3
315.06793	2.2
317.07800	0.2
323.09131	0.6
327.06851	3.4
331.09354	0.8
339.06885	0.5
340.09436	1.2
342.11157	0.4
351.06888	0.3
354.10928	1.0
357.07901	1.6
359.09406	0.3
369.07980	1.8
371.05820	0.9
372.06870	0.9
373.07556	0.3
375.08984	2.7
376.26169	0.2
385.07208	0.2
387.08984	6.7
399.08734	0.3
468.17648	0.8
534.42078	0.2
617.26654	0.2
635.14374	1.6
928.30493	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	928.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	1.5
68.99783	0.6
69.00931	0.2
69.03432	4.5
69.05785	0.2
69.99311	0.7
70.06583	0.2
71.01354	0.3
71.04986	0.5
71.48820	0.2
72.08157	5.0
73.02924	0.5
73.06559	0.4
74.05720	0.1
75.57018	0.1
77.03958	0.2
79.05499	0.4
81.03419	4.1
82.06593	0.9
83.01340	0.2
83.04984	0.2
84.04509	1.9
84.08144	20.9
85.02901	4.8
85.04032	0.5
85.06545	0.2
86.09705	3.3
87.00827	2.9
87.01953	1.5
87.04463	0.2
91.03922	0.2
91.05488	0.4
93.07075	0.2
95.04954	0.2
95.08582	0.2
97.02895	3.0
97.07635	0.4
98.06052	1.7
99.04449	1.5
103.03971	0.2
103.05467	0.2
103.08689	0.2
105.01894	1.3
105.07042	0.2
106.06556	2.9
107.04944	0.2
107.08613	0.1
109.02882	3.3
111.02630	0.3
111.04453	0.3
112.11232	0.7
115.03936	1.1
115.05466	0.2
115.08692	6.3
117.01858	0.5
117.03350	0.1
119.04977	0.2
119.06060	0.5
121.06507	0.4
122.09679	0.3
123.04412	0.3
127.03934	3.1
127.08678	77.6
128.09030	0.7
129.01810	0.4
131.04906	0.6
131.05966	0.3
132.04437	1.0
133.06412	0.2
133.57996	0.2
135.04388	0.2
135.08023	0.4
137.06024	0.7
139.02097	0.5
139.03827	0.2
141.06584	11.6
144.41275	0.1
145.04936	0.6
145.06450	0.2
146.03589	0.2
147.04391	0.3
149.00543	0.2
149.05969	0.4
149.07045	0.2
151.07538	0.3
155.01598	0.6
155.11824	0.2
157.04988	0.3
157.13364	30.2
158.13696	0.2
159.02914	0.9
159.04097	0.2
161.05986	5.3
163.02141	0.4
163.07539	1.2
167.01620	3.2
167.03052	0.2
169.03185	2.5
169.13362	38.1
170.13675	0.6
173.05928	0.2
174.06703	0.2
175.07533	1.4
179.01585	1.4
179.07036	0.6
181.03224	0.3
181.06432	0.4
183.01170	0.2
187.07634	0.2
188.04640	0.2
191.01633	1.0
191.07001	1.8
191.08563	0.2
191.11751	0.4
193.03191	0.8
193.06505	0.2
194.07249	0.2
195.08057	0.4
199.05818	0.3
201.03952	0.4
203.01566	0.3
203.07022	2.7
203.11797	0.6
205.06555	0.2
205.08595	0.4
207.08096	0.3
209.06079	0.3
209.08043	2.5
209.09903	0.2
210.06758	0.4
211.07611	0.4
213.03918	0.3
215.07043	0.4
217.08595	0.2
219.04855	0.4
221.02640	0.2
221.05992	0.7
221.08115	0.4
223.07550	0.4
224.08327	0.2
225.09138	0.5
226.06181	0.3
227.05273	0.5
231.04945	0.5
233.06010	0.2
233.08026	1.5
235.07442	0.4
235.09650	0.4
237.05458	1.0
237.09093	0.5
238.06392	0.3
239.07109	0.7
240.07901	0.3
241.08598	0.6
246.12386	26.5
247.07460	0.2
247.12721	0.6
249.05423	0.4
250.06316	0.4
251.07004	0.6
252.07745	0.2
253.03090	0.3
253.08670	1.2
254.05898	0.2
254.09259	0.4
255.04649	0.5
255.06607	0.5
255.10201	0.2
264.07837	0.2
265.08618	0.8
266.09348	0.3
267.06744	0.3
267.10132	0.3
268.07373	0.6
269.02872	0.3
269.08218	2.4
270.08780	0.7
271.09644	0.2
276.17087	11.7
277.08691	0.3
277.17374	0.3
279.06656	0.2
281.08145	2.7
282.03571	0.2
282.08823	0.6
283.04294	2.2
283.09573	0.8
285.05911	0.8
288.17056	100.0
289.17435	2.8
293.08051	1.2
294.08765	0.7
295.04184	0.3
295.09610	0.6
296.10364	0.2
297.05688	0.8
299.04065	0.2
299.07275	0.3
300.04440	0.5
301.05267	0.3
302.05930	0.2
302.17502	0.2
305.08051	0.2
306.08624	0.3
307.04367	0.2
307.09479	0.3
308.06750	0.2
309.07727	0.2
311.09232	1.2
312.04382	0.2
312.09839	1.0
313.05255	0.4
314.05713	0.2
315.06836	8.3
317.08420	1.6
323.09219	1.8
324.09790	0.6
325.05206	0.4
327.06580	1.6
328.09500	0.4
329.08279	0.4
330.10974	0.6
335.09100	0.2
339.06726	1.0
341.10141	0.3
342.10907	0.8
345.07889	0.2
355.06064	0.4
357.07907	5.1
359.09427	2.4
362.08142	0.2
369.07867	1.8
371.09320	0.4
373.07239	0.6
374.08197	0.2
375.08978	7.5
376.09332	0.3
377.10519	2.1
381.07764	0.4
385.07343	0.2
387.08957	3.6
389.10431	0.4
393.07504	0.2
399.09085	0.8
405.09860	0.6
411.08844	0.4
417.09052	0.2
447.08618	0.3
455.11505	0.2
465.10013	0.7
483.10825	0.4
519.12604	0.2
561.22406	0.2
569.10406	0.2
587.11896	0.4
605.12799	0.7
635.13715	0.2
650.24744	0.5
680.26459	0.9
809.28381	0.8
928.31183	1.6
929.33795	0.2
941.15692	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	926.5833
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03929	4.2
67.05504	90.2
69.03417	6.5
69.07069	22.4
71.04970	2.9
71.08636	2.5
71.27092	1.5
73.02920	8.2
79.05491	80.3
81.03410	2.7
81.07055	96.8
83.04977	2.3
83.08616	13.8
85.02904	25.6
85.06541	3.1
87.04456	1.6
89.06059	1.3
91.03959	19.9
91.04898	2.4
91.05478	49.5
93.07042	94.0
94.07303	1.0
95.04955	7.2
95.08607	73.5
96.04494	1.1
97.02890	17.8
97.06520	5.4
97.10167	4.7
99.04438	1.4
99.08091	4.5
101.06005	1.6
105.04504	2.9
105.06313	2.0
105.07027	40.6
107.08588	46.6
109.06525	2.1
109.10152	36.5
111.08065	3.7
111.11703	1.0
113.09610	2.0
115.03898	2.2
117.07020	12.7
117.09151	1.6
119.08579	30.7
121.06528	1.0
121.10143	43.9
123.08067	2.4
123.11705	16.4
124.70792	1.1
125.09647	2.6
127.03910	7.9
128.06209	1.2
128.28212	1.1
129.06992	4.9
131.08563	25.5
133.10130	33.8
135.08073	2.0
135.10703	2.2
135.11699	36.9
135.12730	2.2
137.09619	2.8
137.13260	4.0
139.11192	2.4
143.08591	5.4
145.04974	10.8
145.10126	21.7
147.11673	22.2
149.09656	2.1
149.13257	20.9
151.11174	1.7
155.08554	1.7
157.10159	4.0
158.24161	1.2
159.02109	1.1
159.11685	19.5
161.13248	14.6
163.06009	13.7
163.11256	2.0
163.14813	5.9
169.10124	1.4
171.06203	0.9
171.11658	6.6
173.13258	14.0
175.14766	6.6
177.16449	2.5
183.11661	1.3
185.13281	3.2
187.14792	7.6
189.16418	4.0
191.14221	1.3
191.17851	1.2
196.53282	1.0
197.13239	1.1
199.14848	2.7
201.16333	2.4
203.17934	2.7
205.19453	2.7
209.53888	1.0
213.14757	0.9
213.16431	6.7
215.17950	24.2
217.19504	3.6
227.16264	1.1
231.17430	9.6
231.21078	2.0
233.19020	21.5
235.20598	1.6
241.19530	3.8
243.21085	4.6
259.20520	6.9
261.22156	16.3
263.23605	1.9
273.22284	1.2
285.22141	1.8
285.40366	1.1
289.21570	1.9
299.23715	1.2
303.23352	1.3
305.21222	6.3
307.22675	87.4
308.22922	2.1
309.24197	11.3
312.58405	1.1
312.74100	1.1
317.24814	3.3
319.22897	1.0
333.24182	7.8
335.25793	100.0
336.26154	3.5
337.27432	10.1
365.81244	1.0
397.30612	1.3
423.32465	1.4
475.39523	2.0
486.21362	1.1
493.40259	6.4
511.40775	1.2
515.37189	2.0
567.44165	27.1
568.44537	1.6
585.45068	37.0
586.45294	2.2
605.35846	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	924.5468
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03949	0.6
67.05503	1.8
69.03415	0.8
69.54924	2.8
71.04990	1.5
73.02920	2.3
73.06554	2.5
77.03947	0.5
79.05494	8.1
81.03436	1.0
81.07043	1.3
81.37411	0.5
85.02934	0.8
86.09702	0.7
87.04472	24.4
89.06032	84.7
90.06391	0.6
91.05488	8.7
91.07545	0.5
93.07043	1.3
95.04993	2.3
95.08609	1.2
103.05466	19.6
105.07034	100.0
106.07379	1.4
107.04900	0.5
107.07073	1.7
113.06004	0.8
115.05403	0.7
115.07582	0.6
117.07047	0.9
117.09161	1.7
119.08555	0.7
121.06525	0.9
121.10129	0.6
128.06223	1.4
129.07030	4.0
130.08630	1.7
131.07057	5.5
131.08574	6.5
133.06502	1.4
133.08606	53.9
137.06042	0.5
143.99794	0.5
145.06487	1.7
147.08006	0.7
149.09653	1.0
157.06532	0.6
157.08623	0.5
158.74548	0.4
165.06952	0.7
171.08116	2.6
175.09659	5.3
177.11232	18.9
178.07800	1.0
179.08527	1.2
181.10098	1.3
184.07362	1.1
191.08583	0.5
192.09286	0.6
193.10124	0.7
206.10945	0.9
207.08069	0.6
207.11671	1.1
215.08653	0.7
219.08278	0.6
219.12306	2.0
220.08867	0.7
221.09569	1.1
221.13760	2.9
223.11159	6.1
234.10489	0.8
249.12756	18.9
250.13049	0.7
251.14316	3.8
263.35474	0.6
265.16516	0.9
272.12439	0.5
275.14413	0.8
283.17630	0.7
301.15921	1.1
307.22583	0.6
309.18964	1.0
325.15970	1.3
325.64111	0.5
327.17419	17.6
351.17392	0.7
353.18790	1.0
357.18600	0.7
368.01758	0.5
369.18814	0.6
371.19910	2.0
399.21613	1.5
405.22156	10.1
415.22409	1.2
429.22552	0.7
431.23532	2.1
443.24026	1.4
459.25333	1.0
470.95096	0.7
475.26300	5.0
487.26807	1.1
501.26114	0.6
503.27963	1.9
547.30627	2.4
575.32367	0.6
591.32593	2.0
635.35889	2.7
679.37695	1.3
681.38593	1.2
697.39185	0.8
698.45789	1.0
767.42303	0.6
785.44812	8.6
889.50024	1.5
924.53326	1.6
940.56104	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.4639
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	3.4
67.05504	27.4
68.99773	3.4
69.03427	43.8
69.07069	14.3
71.01347	3.0
71.04989	7.7
73.02911	8.7
73.33438	1.1
74.82688	1.0
76.54331	1.0
79.05495	16.7
79.35725	1.1
81.03417	48.9
81.07054	44.4
83.01322	2.8
83.04980	6.9
83.08611	12.4
85.02903	98.0
85.06542	9.9
87.00825	35.3
87.04463	2.0
91.03963	1.7
91.05478	23.7
92.05724	1.2
93.06486	2.2
93.07045	34.9
95.04959	4.4
95.08604	73.1
97.02888	40.7
97.06503	1.4
97.10150	3.7
99.04459	19.0
99.08086	5.0
101.02381	2.4
103.03928	3.7
105.01865	33.6
105.07033	34.4
107.04956	1.8
107.08593	46.3
109.02877	60.8
109.06507	1.8
109.10155	61.4
111.04461	7.0
111.11703	4.4
113.02343	1.6
115.03899	2.7
115.05426	1.4
117.01853	4.6
117.07019	11.4
119.08580	30.5
121.10144	43.4
123.04433	6.2
123.08054	1.9
123.11710	24.1
125.02349	4.5
125.13284	1.8
127.03914	100.0
128.06161	2.2
129.01826	6.0
129.05510	2.7
129.06976	6.2
130.07782	1.4
131.08560	18.3
133.10135	24.1
135.04425	1.3
135.11688	37.4
137.13249	11.7
139.03893	4.6
142.07828	2.6
143.08562	9.8
143.44357	1.2
145.04955	26.8
145.09070	2.0
145.10130	30.3
147.02872	3.4
147.04382	1.4
147.11694	18.2
149.02386	2.2
149.13252	23.6
151.03908	6.9
151.14737	3.0
155.08539	2.9
156.09375	1.2
157.10133	11.0
158.10869	1.4
159.02885	16.1
159.11679	26.0
161.05989	1.5
161.09683	1.3
161.13255	21.7
163.03860	1.5
163.11185	3.2
163.14821	19.3
165.05443	3.4
169.04965	11.8
169.10138	2.0
171.02914	2.1
171.11708	8.2
173.13248	11.8
174.13933	1.1
175.03873	1.5
175.11201	3.8
175.14816	10.4
177.03960	1.3
177.12743	5.2
177.16391	13.2
179.14326	5.5
179.17920	2.4
181.04918	2.5
183.11745	3.0
185.13243	8.1
187.06056	6.8
187.11110	1.6
187.14832	11.1
189.03947	16.2
189.05551	2.3
189.12740	5.6
189.16379	12.0
191.14328	4.8
191.17946	48.6
193.04921	6.2
197.13295	1.8
199.14792	10.0
201.12715	6.1
201.16357	10.2
203.14349	12.3
203.17931	9.9
205.15921	7.5
205.19510	19.0
211.05948	2.5
211.14841	3.2
213.03929	20.1
213.16351	7.1
215.05496	2.0
215.14429	1.5
215.17972	3.0
217.05037	1.5
217.15950	13.1
217.19487	9.0
219.17433	5.7
225.16409	1.6
227.18001	6.6
229.19507	3.9
231.05002	44.0
231.17497	6.5
231.21071	6.1
233.06573	5.2
235.06010	4.4
239.18018	1.8
241.19417	1.2
243.20863	1.3
245.19058	5.7
245.22617	1.7
249.06113	8.7
253.07109	2.3
253.19577	1.7
254.75264	1.3
255.05005	3.4
255.21152	2.8
257.18958	2.3
259.20575	2.0
261.22293	1.4
267.21085	2.1
269.22559	1.5
271.20471	2.9
271.23380	1.2
273.06036	57.3
274.06461	1.5
281.22559	4.3
285.06033	1.8
285.22025	1.5
291.06967	2.2
295.24152	4.5
297.05997	2.7
299.23633	4.6
309.25879	2.0
313.25253	17.7
315.07141	6.9
321.06055	1.3
325.25211	8.2
327.26688	3.4
333.08047	2.8
339.07074	8.6
339.26804	1.6
353.28494	1.4
357.08160	6.5
391.33502	4.9
409.34634	34.9
427.35507	1.3
443.08194	5.5
461.09155	7.7
479.10342	2.7
626.40674	1.2
923.45660	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	923.4633
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03936	1.1
66.98102	0.7
67.05505	11.5
68.99790	6.0
69.03429	45.9
69.07063	4.9
70.08782	3.3
71.01363	2.4
71.04994	6.0
73.02915	7.2
79.05499	6.9
81.03420	47.0
81.07060	15.3
81.58024	0.7
83.01324	2.3
83.04978	6.3
83.08615	2.0
85.02906	95.8
85.06534	2.2
86.03201	1.0
87.00827	35.4
87.04462	2.2
87.47993	0.8
87.82376	0.8
91.03940	1.3
91.05485	6.7
93.07051	11.7
95.04990	3.7
95.08611	25.8
97.02895	38.9
97.10155	1.2
99.03848	1.4
99.04458	19.6
99.08099	1.0
101.02370	1.5
103.03938	4.2
105.01870	30.2
105.07037	10.9
107.04970	1.5
107.08588	11.9
109.02883	64.1
109.10157	18.7
111.04449	8.3
111.11739	1.7
112.98709	0.8
113.02399	0.9
115.03943	3.4
115.85089	0.7
117.01890	4.0
117.07018	2.6
119.04919	1.1
119.08578	8.8
121.10149	13.7
123.04442	6.4
123.11745	5.1
125.02369	4.5
127.03920	100.0
129.01830	5.3
129.05467	2.2
131.08597	4.1
133.06451	0.7
133.10146	6.6
135.04399	1.3
135.11696	8.4
137.05977	1.6
137.13200	1.1
139.03918	3.6
141.05479	0.8
142.07837	0.8
143.08559	2.4
145.04968	23.8
145.10120	7.6
145.27806	0.8
147.02901	4.0
147.04428	1.3
147.06535	1.4
147.11678	6.7
149.13264	9.6
151.03908	6.9
153.01869	1.1
155.08549	1.0
157.10167	3.5
159.01709	1.5
159.02907	17.3
159.04137	1.5
159.11749	4.9
161.05940	0.9
161.13269	8.2
163.14833	8.6
165.05473	2.4
165.12708	1.0
169.04980	11.3
171.02902	3.7
171.11658	1.7
173.13255	3.9
175.03929	2.1
175.14832	3.2
177.04027	0.9
177.05446	1.1
177.12758	0.9
177.16403	2.8
181.04903	1.6
185.13277	2.8
187.06003	8.1
187.14835	2.6
189.03961	13.0
189.05467	1.5
189.16425	3.5
190.43465	0.7
191.14334	2.0
191.17967	1.8
193.05002	7.3
193.15988	1.1
197.13327	0.8
199.14861	2.1
201.16422	2.7
203.14322	2.2
203.17973	5.1
205.15781	1.1
205.19531	1.2
211.06094	1.5
211.14752	0.7
213.03952	14.0
213.16397	1.5
215.05521	2.6
215.17946	1.8
217.04926	1.3
217.15849	2.4
217.19530	5.0
219.17480	1.8
227.17984	2.1
229.19579	3.2
231.05002	37.3
231.17488	2.1
231.21066	1.7
233.06595	3.4
235.06071	3.3
243.21056	1.8
245.18910	1.8
247.20554	1.6
249.06076	8.9
253.07202	2.1
255.05087	2.7
255.21382	0.7
259.20590	1.1
269.06808	0.9
269.22708	1.3
271.20636	1.1
273.06055	47.4
281.22714	2.2
285.06134	1.0
291.07217	2.0
295.24188	1.0
297.06067	2.6
299.23779	2.6
309.25943	1.1
313.25262	2.9
315.07077	6.2
321.06168	1.3
325.25284	1.1
327.26779	2.3
333.08102	2.0
339.07144	7.8
357.07977	4.2
391.33600	3.7
397.34683	1.9
409.34662	17.6
425.06931	1.1
427.35663	5.3
443.08319	4.5
461.09302	4.8
479.10257	1.3
923.46179	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	921.3917
Annotation	Unknow
Peak:m/z	Relative Intensity
66.81709	0.5
67.05418	1.9
69.03345	0.8
71.07299	0.7
79.05394	2.2
79.05803	0.7
81.03374	1.0
81.06962	2.8
85.02823	1.1
85.48555	0.5
86.09613	2.7
89.05929	0.7
91.05399	1.4
93.06947	1.8
95.04877	0.9
95.08520	2.1
97.06414	0.6
101.05928	1.0
105.06927	2.2
107.08533	1.1
109.10054	0.8
112.84747	0.5
116.35959	0.6
119.08492	1.0
121.06433	0.6
124.99881	1.8
133.10052	0.9
147.07967	0.7
148.03127	0.5
184.07370	7.2
220.81160	0.6
225.01715	0.7
335.25751	1.8
355.11697	0.9
410.13693	1.1
411.14514	3.3
412.15234	2.6
413.16025	1.7
423.14789	0.7
424.15704	1.3
425.16403	6.6
426.16882	5.4
427.17590	1.1
428.18750	1.4
438.12878	1.8
439.13556	10.6
439.22812	0.7
440.19409	2.8
441.19339	24.3
442.19476	0.9
452.14847	1.9
453.15240	10.8
454.16061	3.5
465.16290	0.8
467.17178	18.6
468.17883	10.6
469.18936	9.2
481.14926	11.7
482.15634	2.9
495.15826	2.8
496.17294	9.3
497.18143	1.5
509.18155	2.5
514.22119	2.9
523.19769	0.8
527.22870	2.6
542.21637	0.8
555.22406	18.4
556.23035	1.5
561.37634	0.9
583.21924	78.1
584.22284	5.1
587.24561	0.8
589.94391	0.7
611.21387	1.9
614.23376	0.7
615.24597	6.9
642.23279	3.4
643.24011	100.0
644.24353	7.7
831.46912	1.9
877.53998	0.9
921.49207	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	922.5565
Annotation	Unknow
Peak:m/z	Relative Intensity
66.76747	1.3
67.05496	1.3
69.03432	10.5
69.07095	1.9
70.73380	2.7
70.73705	1.7
71.04986	2.0
73.02912	1.8
73.27670	1.2
77.19886	1.3
77.75963	1.1
79.05477	2.9
81.03423	15.4
81.07074	1.9
83.04981	1.5
85.02916	21.6
87.00829	10.1
91.05492	2.3
93.07056	2.1
95.04949	1.7
97.02895	11.5
97.06543	2.7
99.04461	4.7
99.08093	2.9
101.09668	3.3
105.01864	4.7
105.07072	1.6
109.02871	14.1
111.04420	1.4
114.11496	1.3
115.07558	9.8
117.09137	100.0
119.08572	1.4
121.10107	2.1
127.03921	17.6
133.10184	1.8
145.04953	9.7
159.02876	4.7
167.07106	2.7
173.11765	1.7
175.13307	57.9
213.03941	2.3
217.98340	1.2
218.80663	1.3
231.04961	2.4
233.17496	22.6
251.18420	1.6
291.21658	5.4
309.22787	2.0
349.25809	3.2
652.19958	1.4
657.48169	2.1
787.34216	1.3
829.58673	1.6
839.12292	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99763	0.3
69.03419	1.4
69.83472	1.7
71.05000	3.2
78.04715	0.4
83.04967	0.4
85.02909	5.7
89.03926	3.2
89.25416	0.4
97.02893	3.7
98.20853	0.6
101.62049	0.3
102.44270	0.4
109.97087	0.3
115.03905	1.7
117.03384	9.9
121.02877	0.4
129.05478	1.4
134.03671	1.0
135.04398	0.4
137.02341	1.0
137.05980	3.1
141.07057	0.5
145.02852	45.9
146.03239	0.4
147.04402	0.5
149.05991	3.4
153.01846	1.2
157.06375	0.4
161.05954	0.8
163.03854	0.6
169.06483	0.5
171.04492	0.6
175.07507	0.7
177.05476	100.0
178.05807	0.9
186.05469	0.5
187.07578	0.4
189.05441	0.9
195.06529	0.5
211.07388	0.4
217.08638	0.8
229.05049	1.0
231.06543	15.5
240.94913	0.4
245.08043	0.5
247.61243	0.3
249.84921	0.3
257.04440	0.8
273.07626	1.4
285.03900	0.5
291.08643	46.0
292.08929	1.1
303.04996	32.4
304.05496	1.1
309.09680	20.6
323.11322	0.5
400.38351	0.4
442.85522	0.4
455.15378	0.4
465.10089	0.6
617.84454	0.4
717.30560	0.4
747.76630	0.5
875.04547	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	2.2
71.04998	2.9
71.48418	0.3
85.02908	5.9
89.03920	2.8
91.05490	0.6
97.02886	4.2
101.08855	0.3
109.23444	0.3
115.03928	1.4
117.03384	11.5
123.04354	0.3
129.05486	1.5
131.61076	0.3
131.86072	0.3
134.03664	0.6
135.04399	1.2
137.02350	1.1
137.05997	2.5
145.02850	48.8
146.03262	0.8
147.04434	0.7
147.06448	0.3
149.05986	5.1
153.01834	1.5
155.04930	0.6
161.06004	0.5
163.03915	2.8
165.01884	0.9
169.06523	0.5
171.04492	0.8
175.07625	0.5
177.05476	100.0
178.05820	1.7
186.05487	0.7
187.07550	0.6
189.05450	0.5
203.07153	0.5
212.70157	0.3
215.07031	0.5
217.08742	0.4
229.04997	1.7
231.06523	14.4
235.25363	0.4
245.08171	0.4
247.05959	0.4
257.04343	1.0
273.07761	0.6
285.03848	0.7
287.05493	1.2
291.08646	41.8
292.08984	1.0
303.05011	30.6
304.05356	0.9
309.09708	18.7
310.10083	0.5
317.90759	0.4
343.10901	0.5
455.15399	0.4
619.49536	0.3
738.62073	0.4
867.23065	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.5482
Annotation	Unknow
Peak:m/z	Relative Intensity
64.00543	0.9
65.03934	1.3
67.05511	42.0
69.03423	2.7
69.07075	10.0
69.14317	2.3
69.14733	8.5
70.06652	0.9
71.01336	1.8
71.05000	2.8
71.08640	21.7
71.98116	0.8
73.02922	3.7
77.41886	0.8
79.05495	14.5
80.47040	0.8
81.03425	4.5
81.07059	22.0
83.04971	4.0
83.08626	14.0
85.02435	1.4
85.02910	15.9
85.10184	11.9
86.09689	1.2
87.04476	3.3
87.86342	0.9
89.06030	1.9
90.31682	0.9
91.03985	4.8
91.05487	6.0
93.07054	6.7
95.04964	2.5
95.08611	20.9
97.02889	7.8
97.06532	2.9
97.10176	15.3
98.20785	1.7
103.07632	1.6
105.07043	2.9
107.04994	1.4
107.08591	7.9
109.06516	1.2
109.10163	32.9
111.04466	1.7
111.08095	1.3
111.11648	1.1
119.08611	4.3
121.10161	3.2
123.11700	3.1
125.09656	9.5
131.08606	1.6
133.10197	1.6
135.08031	1.0
135.11717	1.4
137.05968	1.1
137.09647	2.1
137.13293	1.5
143.10712	2.9
145.04903	0.9
145.10124	2.6
147.08014	1.1
148.28647	1.1
153.12775	1.4
155.10657	2.1
163.06062	1.6
163.11214	3.7
173.11754	7.4
184.07416	1.6
191.10739	2.0
199.13274	8.6
199.14792	1.1
209.11768	7.4
217.14334	1.1
227.12822	4.1
229.14374	41.2
239.23720	4.1
257.24887	1.1
267.15991	1.5
272.16010	1.1
283.15390	4.6
299.14905	2.4
300.15256	2.1
301.16504	17.7
313.27390	100.0
314.27765	5.2
316.95239	1.0
341.26947	1.6
437.36319	6.7
455.37479	15.5
467.37372	39.1
468.37659	2.5
505.39307	1.3
521.38293	4.1
538.38245	1.5
539.39459	19.0
557.40332	2.7
564.90881	1.0
701.44464	1.4
779.18909	1.1
811.55212	1.5
872.60376	1.8
898.62433	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.3142
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	0.8
68.01416	0.5
70.87199	0.4
71.49448	0.7
79.05483	1.5
80.05029	0.7
81.03428	1.0
81.05785	0.6
90.76299	0.4
91.05532	0.9
93.05782	1.3
93.07072	0.7
94.06563	3.0
95.04951	0.8
96.08115	1.5
97.06567	0.6
104.02341	0.5
105.07024	1.0
106.06557	3.2
107.04958	1.4
107.07345	11.3
107.08502	0.6
108.08145	0.8
110.06009	0.6
120.08128	1.0
122.06093	2.4
122.09673	100.0
123.06813	0.9
123.10007	0.9
124.07621	3.9
124.11227	4.8
127.03937	0.6
130.06526	0.6
131.07338	0.6
131.08580	0.5
134.06021	2.0
134.09625	0.5
136.03949	1.2
136.07567	1.5
136.11227	1.0
137.84984	0.5
140.07104	0.5
146.09662	0.9
148.11214	3.3
149.08427	0.7
150.05521	7.1
150.09117	2.2
152.07069	5.8
158.08122	0.6
162.09146	1.2
163.03925	0.5
163.08737	0.6
164.10715	4.6
166.08650	5.8
174.09184	1.1
175.08727	0.9
176.07126	0.5
176.09454	0.8
176.10739	7.1
177.06586	1.6
178.05002	7.3
189.10216	0.6
191.08211	0.5
194.08163	0.6
196.06062	3.1
201.10159	0.5
202.08698	3.0
203.08199	5.6
204.06564	2.6
205.09787	0.6
207.07710	0.5
211.10791	1.5
215.08105	0.8
217.09729	8.2
220.09703	11.4
220.11679	0.8
227.11891	0.6
230.08139	1.2
233.09219	0.7
235.10776	35.1
236.11252	0.6
241.09865	0.5
243.11293	0.7
245.09236	8.6
246.07726	0.8
248.09151	0.9
253.11891	2.9
259.10904	0.7
261.08707	3.8
261.12335	1.7
263.10278	7.2
271.10739	0.8
272.09158	0.6
279.09781	7.7
287.10275	5.1
289.09106	0.5
289.11835	2.8
290.10046	0.7
290.16580	0.5
305.11298	8.2
307.12787	2.5
317.15213	0.5
322.15652	0.8
333.10913	0.6
335.16415	1.2
344.17456	0.7
346.19199	0.8
362.18658	2.2
364.20245	5.4
370.15048	1.7
386.20740	0.5
390.18103	1.9
392.19708	2.5
408.19269	1.9
410.15363	1.0
410.20773	15.6
411.20749	0.6
418.17456	1.4
428.21954	4.8
430.16153	2.0
436.18689	16.8
448.17236	2.8
454.19754	11.7
455.19800	0.6
472.20581	1.1
480.17450	1.0
484.17267	1.5
587.25269	1.3
605.26105	25.3
606.26587	1.1
613.22583	0.6
623.27124	34.2
624.27826	1.2
631.24103	5.1
649.25018	4.8
871.32397	0.5
897.30255	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.5683
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03898	0.6
65.13020	0.4
67.05505	10.6
69.03389	1.6
69.07067	6.5
70.16296	1.9
71.04961	0.9
71.08633	18.4
73.02872	1.5
78.12228	0.4
79.05502	6.7
81.03421	44.0
81.07056	15.5
82.03712	0.5
83.04970	2.6
83.08619	14.1
85.02906	5.0
85.06508	0.8
85.10190	10.8
86.09686	1.0
89.05991	1.7
91.03951	2.9
91.05003	0.6
91.05483	8.8
93.07056	4.0
95.04974	13.4
95.08609	15.0
97.02893	3.3
97.06473	1.3
97.10174	4.0
97.40311	0.6
99.08093	0.7
100.00400	0.4
103.07560	0.6
105.06437	0.5
105.07044	6.3
107.04930	2.9
107.08598	2.7
109.02910	0.5
109.06489	1.7
109.10155	7.5
111.04432	1.1
111.08092	4.1
111.11677	0.5
115.05405	0.7
117.07000	0.8
119.04923	0.9
119.07822	0.7
119.08588	7.0
121.06455	2.0
121.10161	3.5
123.04387	2.0
123.08029	0.8
123.11747	2.7
123.25807	0.5
124.99957	1.5
125.09597	1.0
127.03909	1.0
129.06998	4.6
131.08585	4.3
133.06461	1.9
133.10182	2.6
135.08060	0.6
135.11667	0.7
137.09616	0.9
137.13228	1.3
142.07747	1.5
143.08630	0.5
145.04915	1.3
145.10139	0.7
147.04407	1.2
147.08040	1.8
147.11678	4.0
147.35736	0.5
149.09560	2.9
151.14749	0.6
157.10126	4.5
161.05878	0.6
163.06013	1.9
163.11198	1.1
164.07034	0.5
165.12709	0.6
171.18274	0.5
175.11162	5.4
184.07344	4.1
193.12248	22.0
194.12502	0.6
211.13313	1.3
222.21887	0.5
223.13397	0.6
235.13322	1.8
239.23691	2.3
249.14890	1.9
257.24744	1.9
259.13361	1.1
267.15921	75.4
268.16251	1.8
273.14893	0.8
301.14346	2.0
306.22220	0.5
309.16980	2.8
313.27374	100.0
314.27603	3.5
375.17819	0.7
425.77182	0.5
431.35220	0.7
486.47601	0.5
505.38910	75.2
506.39462	4.0
523.39984	2.5
547.39960	7.9
589.40765	1.3
601.41156	2.8
613.41241	2.1
631.42194	1.9
649.42957	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	912.743
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	3.1
69.07054	4.4
69.45090	2.4
69.45481	7.3
79.05447	1.7
81.07066	8.4
83.08620	2.2
89.06023	1.3
89.77891	1.4
91.05447	1.3
93.07057	6.1
95.08614	17.3
97.10130	2.0
101.06008	4.1
105.07025	2.6
107.08595	10.1
109.10180	9.3
113.04986	1.1
117.09183	1.4
119.08588	2.7
121.06420	1.4
121.10155	10.1
123.08058	3.7
123.11708	3.5
135.08043	2.4
135.11703	13.2
137.13217	3.1
142.40849	1.2
145.10083	2.6
147.11693	2.5
149.09631	2.6
149.13252	8.3
163.07573	4.7
163.14825	8.1
165.12866	1.2
173.09584	2.1
189.16322	1.4
191.17955	76.4
192.18399	1.5
199.12779	1.2
205.15808	5.7
208.57339	1.1
233.15363	32.4
249.18597	1.6
251.16420	7.4
257.47452	1.2
261.18500	2.8
275.23645	4.0
303.23178	3.0
315.23370	2.8
439.35724	100.0
440.35956	3.1
457.36783	18.9
682.29559	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	912.5525
Annotation	Unknow
Peak:m/z	Relative Intensity
64.30067	0.5
65.03913	0.8
67.05505	16.6
69.03391	2.4
69.07072	9.5
71.01324	1.2
71.04993	3.7
71.08634	21.9
71.49586	0.9
73.02873	1.6
73.21340	0.6
79.05489	15.4
81.03423	14.9
81.07056	20.7
83.01332	1.3
83.04987	8.0
83.08622	12.1
85.02908	10.8
85.06525	1.3
85.10187	12.8
86.30967	0.5
87.04437	0.7
89.05998	2.0
90.19926	0.6
91.03944	3.5
91.04918	0.6
91.05478	10.7
93.07047	15.0
95.04964	4.8
95.08607	23.7
97.02886	8.5
97.06536	4.9
97.10168	4.6
99.04402	1.4
99.11725	0.6
103.07575	1.0
105.07028	5.4
107.04951	12.6
107.08595	9.1
109.02861	0.9
109.06512	5.2
109.10162	9.2
111.04444	14.4
111.08044	2.0
111.11729	0.8
113.05977	0.6
117.06359	0.6
117.07026	6.3
119.08570	8.0
119.31852	0.5
121.06507	3.9
121.10141	8.2
123.04401	0.9
123.08053	4.5
123.11707	3.7
125.06016	3.1
125.09587	1.5
127.03856	1.5
128.06189	0.7
129.06946	1.7
130.07791	0.7
131.04906	1.1
131.08578	4.3
133.10083	1.0
135.08023	2.2
135.11690	10.4
137.09583	2.0
137.13228	1.0
139.07568	0.7
145.04944	1.1
145.06473	1.1
145.09079	1.0
145.10124	13.0
147.08034	3.5
149.09534	1.0
153.12747	6.4
155.08519	2.4
163.05969	1.5
163.11180	21.6
173.09619	6.0
177.12685	0.9
181.12222	4.1
184.07280	1.1
191.10678	8.6
195.13806	0.6
209.11711	5.4
219.85385	0.5
223.11165	0.9
223.13295	10.5
227.12776	4.3
239.23669	1.7
241.14342	12.4
257.24612	0.9
265.14337	14.7
267.15863	0.5
283.15387	13.9
297.17001	1.5
313.27362	83.7
314.27695	2.7
315.18015	27.0
316.18222	0.9
335.25925	0.6
459.22235	0.8
492.55829	0.6
503.37326	16.8
504.37643	0.9
521.38385	64.2
522.38794	2.2
529.64630	0.6
535.40161	1.3
539.39368	1.7
553.41003	100.0
554.41260	4.3
665.42566	0.7
697.45544	1.4
709.51990	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	908.5519
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05515	0.2
69.03423	0.2
69.29685	1.2
73.02918	0.6
73.06567	0.9
77.03931	0.4
79.05495	6.1
79.56623	0.2
81.07047	0.4
83.59576	0.2
87.04472	5.7
89.06033	33.1
91.05480	2.9
91.07595	0.2
91.63099	0.2
93.07048	0.8
95.04982	1.6
95.08571	0.2
103.05468	5.9
105.07033	100.0
106.07385	1.0
107.04972	0.3
107.07098	0.4
109.06523	0.2
115.05414	0.2
116.06226	0.4
117.07015	0.6
117.09151	0.8
119.04960	0.3
119.08596	0.7
121.06515	3.1
121.10141	0.2
129.06987	1.1
130.08658	0.6
131.07054	2.2
131.08563	5.1
133.08609	23.9
135.08105	0.2
145.06442	0.3
147.08058	2.5
147.09129	0.3
147.11682	0.2
149.09627	0.8
155.08556	0.3
163.03934	0.5
165.07051	0.3
165.09073	0.5
166.07770	0.3
168.90590	0.2
169.10112	0.3
173.09642	0.5
175.09706	1.5
177.11229	8.9
178.11440	0.2
179.08502	0.2
181.10123	0.4
191.10614	0.4
192.09410	0.2
193.12352	0.3
207.11766	0.2
209.13354	0.4
211.13237	0.3
219.12209	0.5
221.13866	1.9
222.10313	0.2
223.11198	0.8
223.15411	0.2
225.12747	6.3
227.12791	0.5
237.12708	0.2
239.14748	0.4
249.12679	0.5
251.14325	10.0
252.14607	0.2
253.16005	2.3
265.16455	0.6
267.13806	0.5
267.17816	0.2
269.15393	1.6
271.15494	0.2
283.17572	0.4
295.16882	0.7
309.19083	0.4
311.16367	0.5
313.18027	1.3
315.17999	0.2
327.17383	1.7
329.19003	9.0
330.19385	0.3
353.18619	0.3
355.20212	0.3
357.20477	0.2
371.20016	0.5
373.17413	0.3
373.21637	3.8
397.24500	0.3
401.22995	0.2
415.22583	0.2
417.24448	0.3
477.28055	2.8
478.28125	0.2
639.37073	0.3
683.39362	1.0
787.46106	0.7
908.20563	0.2
908.52606	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	908.5518
Annotation	Unknow
Peak:m/z	Relative Intensity
69.27379	1.5
73.02911	0.4
73.06560	0.9
77.03931	0.5
79.05495	6.0
81.03431	0.3
81.07056	0.2
87.04471	5.7
87.04980	0.4
89.06033	34.6
90.06327	0.2
91.04973	0.3
91.05479	2.9
91.07627	0.2
93.07063	0.5
95.04961	1.3
95.77294	0.2
103.05471	5.6
105.07034	100.0
106.07372	1.2
107.07092	0.4
113.05997	0.3
115.05490	0.4
116.06215	0.3
117.07013	0.5
117.09174	1.1
119.04945	0.2
119.08537	0.5
121.06511	3.7
128.06175	0.2
128.15361	0.2
129.07021	1.0
129.63150	0.2
130.08632	0.6
131.07082	2.1
131.08572	6.1
133.08607	22.7
134.08969	0.3
145.06445	0.3
145.10129	0.2
147.08058	2.4
149.09602	1.0
161.11736	0.3
165.07114	0.2
165.09132	0.5
166.07794	0.3
169.10097	0.3
173.09627	0.5
175.09686	1.1
177.11226	8.7
181.10159	0.4
191.10741	0.3
209.13416	0.2
211.13228	0.3
221.13872	1.6
223.11191	0.8
225.12744	6.7
227.12799	0.4
235.14938	0.3
239.14909	0.3
244.61079	0.2
249.12732	0.6
251.14326	10.3
252.14790	0.3
253.15990	2.2
265.16449	0.4
267.13843	0.4
267.17761	0.2
269.15390	2.0
271.15457	0.5
283.17636	0.2
295.16901	0.6
301.15704	0.2
309.19131	0.2
311.16391	0.5
313.17871	1.1
315.17938	0.3
327.17258	1.6
329.19016	8.1
329.22958	0.4
330.19324	0.3
353.18753	0.4
355.20514	0.4
356.58249	0.2
357.20715	0.3
371.20200	0.6
373.21628	4.4
401.22873	0.4
461.26651	0.2
463.27026	0.2
477.28055	3.1
478.28650	0.3
579.33081	0.2
683.39783	0.8
787.46002	0.6
908.54657	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02374	0.6
64.78131	0.4
65.03919	0.9
66.12666	0.4
69.03440	2.2
69.06730	0.7
69.07069	7.4
71.04983	3.2
71.08003	0.6
71.08341	0.8
78.04721	0.4
79.05494	2.2
81.03403	0.4
83.04962	0.4
85.02905	5.9
89.03909	3.8
90.94870	0.5
91.05485	10.4
91.54173	0.4
92.05788	1.3
97.02901	3.5
97.06532	18.8
98.06847	1.8
100.81709	0.4
107.04990	0.7
115.03894	1.4
117.03378	12.2
117.98898	0.4
119.04932	7.3
119.06850	0.5
120.05232	0.8
121.02862	1.3
129.05496	1.2
133.02867	0.6
134.03621	0.7
135.04433	0.9
137.05983	53.6
138.06326	6.8
143.04987	0.6
145.02850	47.3
147.04416	3.5
149.05975	4.5
153.01826	0.7
157.02811	0.5
161.05925	0.7
163.03925	2.6
163.07494	0.4
165.01889	0.9
167.03569	0.4
171.04413	0.7
175.07524	1.1
177.05472	100.0
178.05803	1.2
185.06129	0.8
187.07573	1.2
189.05536	0.6
189.09079	1.0
190.09491	0.6
195.71793	0.5
215.10699	0.7
217.08582	0.8
227.06978	0.6
231.04672	0.3
231.06516	13.6
233.11732	40.7
234.12080	12.2
250.14389	29.7
251.14690	9.5
273.07584	1.0
287.05502	41.7
288.05896	0.9
291.08633	42.0
292.08893	0.8
303.05045	0.5
309.09692	18.9
310.10147	0.9
378.87799	0.5
455.15314	0.5
584.56738	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03431	8.7
69.17438	4.1
71.04998	4.4
85.02905	6.3
87.04466	0.6
89.03918	3.6
97.02892	12.7
98.78951	0.4
107.04982	0.9
109.46723	0.4
113.71571	0.5
115.03931	11.2
117.03393	4.8
121.02878	0.4
123.04395	1.3
129.05482	1.6
135.04414	11.2
137.02338	0.9
138.15091	0.4
145.02840	10.5
147.04367	0.6
147.06544	0.6
153.01823	1.2
161.05984	1.1
163.03906	100.0
164.04218	1.6
165.01854	0.5
169.06569	0.5
173.05957	0.5
175.03946	0.9
181.05099	0.6
187.07581	0.4
189.05408	0.6
197.05994	0.4
201.05470	1.1
213.05482	2.2
217.04973	11.7
229.04906	1.3
231.06499	2.2
241.04875	2.3
257.04340	0.9
259.05908	2.0
277.07077	36.0
278.07477	0.9
285.04062	0.8
295.08133	19.0
296.08420	0.5
303.05005	36.4
304.05173	0.8
554.16840	0.5
789.82275	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
64.64625	0.2
67.05499	0.3
68.99785	0.4
69.03434	2.1
69.07050	0.2
71.04437	0.3
71.04977	0.7
72.08156	5.0
73.02905	0.4
73.04047	0.7
73.06553	0.9
77.03920	0.7
78.04710	0.7
79.05495	3.9
81.03419	3.4
81.07059	0.5
82.06615	0.2
84.04520	0.4
84.08144	3.7
85.02903	4.6
86.02445	0.5
86.09692	0.8
87.00831	2.6
87.01933	0.3
88.32772	0.2
88.74327	0.2
91.03976	0.2
91.05457	0.4
93.07049	0.3
94.06563	0.4
95.04961	1.7
95.08608	0.4
97.02884	4.0
98.06060	0.4
99.04443	1.4
105.01864	2.1
105.04523	0.5
105.73012	0.2
106.06554	100.0
107.06889	1.0
109.02880	5.9
109.10172	0.2
115.08661	1.1
116.07092	24.4
117.01793	0.2
119.06034	0.3
119.08527	0.2
120.04492	0.3
121.10142	0.4
121.23464	0.2
127.02417	0.2
127.03924	5.3
127.08680	15.6
129.01822	0.3
133.10190	0.2
134.06010	3.0
138.03748	0.3
140.79820	0.2
141.06583	2.9
145.04930	1.1
147.02908	0.4
155.11732	0.3
157.13351	2.8
159.02866	1.1
159.05809	0.2
163.14865	0.3
169.13370	7.4
191.11784	2.6
192.07695	2.7
213.03984	1.0
223.08792	0.3
231.05019	3.3
234.12366	19.2
235.12579	0.5
237.99597	0.2
246.12393	5.4
257.07635	0.4
273.06003	0.3
288.17053	18.9
289.17426	0.6
306.18124	32.8
307.18460	0.9
320.52524	0.2
354.12973	2.4
372.13916	0.2
393.35159	0.2
544.24054	2.3
550.44287	0.2
554.23547	0.9
634.24353	0.2
659.29944	0.5
745.42798	0.4
907.35400	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	1.0
68.99776	0.1
69.03430	1.2
69.23840	0.7
69.24265	0.4
71.05006	1.1
81.03422	2.8
81.46797	0.1
83.04988	2.3
85.02911	2.2
85.86557	0.1
89.03941	0.3
91.05483	7.3
92.05829	0.1
95.04970	0.4
97.02897	1.7
99.04459	0.3
107.04957	2.2
109.02861	1.3
111.04459	2.1
116.93902	0.1
117.03381	0.3
119.04948	19.9
120.05264	0.2
121.02894	0.1
123.04446	1.1
127.03920	0.8
129.05507	0.5
131.04913	0.2
133.06459	0.3
135.04411	0.9
137.02319	0.6
141.06993	0.1
145.02855	0.5
145.06487	0.2
147.04416	100.0
148.04747	1.3
149.06023	0.2
151.03912	1.7
153.01869	0.3
153.05508	0.1
155.08499	0.2
159.04428	0.3
159.08066	0.1
161.05992	0.7
162.97969	0.1
163.02762	0.1
163.03917	4.6
165.01881	0.3
165.05492	5.8
167.32721	0.1
169.03650	0.1
169.04979	0.6
169.06372	0.2
173.05966	0.2
177.05638	0.1
181.04930	0.2
187.07545	0.3
197.05997	0.3
201.05536	0.3
211.07654	0.2
213.09183	0.6
215.07050	0.4
222.65775	0.1
229.04965	0.4
229.08632	0.3
237.07510	0.1
239.07036	0.4
249.07260	0.1
257.04593	0.3
257.08090	3.5
264.48340	0.1
273.07562	0.3
275.09048	0.7
285.03989	0.2
287.05466	0.9
291.08646	3.3
293.10233	0.4
299.05417	0.2
302.04208	0.1
303.05011	12.7
304.05344	0.3
309.09708	3.2
313.09250	0.2
315.05066	0.8
316.05835	0.1
327.05042	0.2
329.06747	0.2
339.04874	0.1
341.06534	0.1
345.06049	2.2
345.10297	0.1
362.10989	0.1
369.06088	0.9
387.06897	0.2
395.07681	0.3
401.12405	0.1
413.08795	0.8
419.13422	0.3
431.09775	0.6
433.11041	0.1
437.08984	0.2
437.14532	0.2
449.10861	2.9
473.10770	0.4
491.12149	0.2
541.12646	0.2
595.15533	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5113
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03940	3.7
66.82116	0.7
67.05508	50.3
69.03428	4.6
69.07070	14.3
71.01346	1.5
71.04996	5.7
71.08617	3.0
73.02921	5.6
79.05497	47.2
81.03421	19.5
81.07059	59.0
83.01337	8.4
83.04984	12.6
83.08624	16.4
85.02911	22.5
85.06581	1.8
85.10162	1.3
89.06052	0.8
91.03972	11.4
91.05486	31.7
91.19967	0.7
93.07048	56.5
95.04976	10.2
95.08612	37.1
95.09071	0.6
97.02899	13.4
97.06532	6.4
97.10171	5.2
98.21499	3.0
99.04443	3.7
99.08094	1.2
103.05484	0.7
105.04568	1.5
105.07036	23.7
107.04960	8.2
107.08597	30.9
109.02898	1.7
109.06525	7.6
109.10164	19.0
111.04442	3.4
111.08073	3.1
113.09703	1.0
114.79205	0.7
115.03953	1.0
115.41901	0.9
117.07018	14.0
119.04945	1.7
119.08590	18.3
121.06514	3.3
121.10146	23.8
123.04412	1.2
123.07468	0.7
123.08095	7.3
123.11726	6.4
125.05990	1.9
125.09634	4.9
127.03949	4.5
128.06238	1.0
129.07021	4.7
130.07835	1.4
131.08578	16.3
133.06490	1.5
133.10139	12.0
135.04388	1.0
135.08064	2.9
135.11685	20.9
136.51884	0.8
137.05980	5.9
137.09610	1.8
137.13268	1.9
139.11179	0.8
143.08583	2.1
145.04971	5.9
145.06509	1.6
145.10129	21.4
147.08058	2.4
147.11670	7.8
149.06038	1.3
149.09619	3.1
149.13277	5.5
151.11160	1.5
153.12738	2.8
155.08554	2.6
157.10126	2.9
159.11684	7.0
161.06023	1.7
161.13286	5.1
163.06023	5.6
163.11192	20.9
163.14871	3.5
171.11693	0.9
173.05997	1.2
173.09625	3.2
173.13252	6.9
175.07620	1.6
175.11229	1.8
175.14838	1.8
177.07857	1.2
177.16415	1.6
180.08556	0.9
181.12247	3.1
183.11568	1.0
184.07356	1.6
187.07552	1.7
187.14838	2.6
189.09427	1.0
189.11237	3.1
191.10635	3.1
191.84059	0.8
193.12254	3.5
199.14854	1.5
201.09296	0.9
201.16408	2.0
209.11774	8.2
211.13286	2.8
215.18083	1.3
227.12779	11.1
229.38370	0.9
241.19566	1.4
243.21123	7.2
259.20575	2.2
261.22141	21.2
267.15948	5.3
268.16214	1.9
269.11661	1.1
269.16620	0.9
273.22241	1.0
277.21710	1.2
283.15408	100.0
284.15866	2.4
299.23627	6.1
302.17514	2.3
313.27386	4.6
314.27768	2.3
315.23138	0.8
315.28162	1.5
317.24774	5.7
329.17285	1.3
333.24161	2.5
335.25821	97.7
336.26169	2.7
346.20117	3.0
386.19803	1.3
415.29837	1.2
433.31070	3.1
438.24826	1.7
451.32104	5.1
469.33109	3.4
487.34058	2.7
505.38895	1.7
506.39310	1.4
507.39694	1.9
515.37207	1.1
525.35852	6.8
543.36829	90.4
544.37415	3.8
561.37946	5.1
642.43732	6.4
646.24664	1.4
676.47711	18.0
677.47736	1.0
722.46173	2.3
884.50482	1.3
902.47021	3.1
906.85315	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.512
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	2.4
67.05506	41.0
68.05820	1.1
69.03436	4.6
69.07072	9.8
69.86157	2.3
71.01345	1.0
71.04993	4.7
71.08624	2.9
72.07165	0.5
73.02915	3.9
77.03921	0.6
79.05495	39.9
81.03420	16.1
81.07056	46.3
83.00900	0.8
83.01344	8.1
83.04982	12.2
83.08618	14.3
85.02907	21.0
85.06531	1.7
85.10166	1.2
87.04472	0.8
91.03951	9.5
91.05482	25.4
92.05806	0.7
93.07047	43.1
95.04974	8.6
95.08609	31.6
95.09084	0.5
96.04496	0.7
97.02901	9.6
97.06528	4.4
97.10181	4.4
98.20851	0.7
99.04456	2.5
99.08096	1.4
103.05486	1.0
105.04527	1.0
105.07033	16.0
107.04964	7.0
107.08592	25.3
109.02859	1.6
109.06522	6.2
109.10161	15.7
111.04448	2.3
111.08111	3.5
111.11668	0.7
113.09660	1.0
115.03951	0.9
115.05394	0.7
117.07015	10.5
119.04927	1.0
119.06074	0.6
119.07724	0.6
119.08584	14.8
121.06511	3.8
121.10146	18.8
121.11022	0.9
123.04459	1.3
123.08070	7.3
123.11702	3.7
125.06001	1.5
125.09637	3.8
127.03908	3.8
129.07021	3.9
130.07759	1.7
131.04913	0.7
131.08571	12.5
133.06465	1.7
133.10139	8.8
135.04454	1.0
135.08018	2.0
135.11688	17.3
136.06168	1.0
137.05981	5.0
137.09535	1.2
137.13264	1.1
143.08548	1.9
145.04971	5.8
145.06450	2.0
145.10120	17.7
147.04353	1.0
147.08031	2.5
147.11694	5.5
149.05969	1.8
149.09608	2.6
149.13275	5.7
151.11256	0.7
153.12746	2.6
155.08549	1.1
157.10117	1.6
159.08058	1.1
159.11694	5.5
161.06018	2.7
161.13263	3.9
163.06021	5.7
163.07413	1.0
163.11180	19.5
163.14790	3.3
171.08098	1.0
171.11702	1.2
173.06038	1.2
173.09648	2.7
173.13263	5.0
175.07449	1.5
175.11263	0.5
175.14861	1.7
177.16318	1.4
181.12248	3.1
183.11705	0.8
184.07373	1.7
185.13289	0.7
187.07603	1.2
187.14780	2.3
189.11234	2.9
191.10684	2.3
193.12199	2.9
199.14888	0.8
201.16443	0.7
209.11708	7.3
209.13451	0.9
211.13271	1.9
222.49704	0.6
227.12770	11.9
233.22478	0.8
241.19472	0.7
243.21048	5.1
257.15451	0.6
259.20532	1.8
261.22147	13.4
267.15881	2.4
277.21704	0.7
283.15405	100.0
284.15878	1.9
285.16949	1.0
299.23615	4.0
302.17523	1.1
313.27521	2.6
317.24838	4.4
329.17383	1.3
333.24310	2.0
335.25812	66.9
336.26144	1.4
346.20166	3.7
364.21112	0.9
386.19424	1.4
404.20538	0.7
415.29822	0.8
423.32700	0.7
433.30933	1.8
438.24994	1.1
451.32150	4.2
469.33087	2.7
476.09378	0.6
487.34109	1.1
515.37292	1.9
517.35181	0.7
525.35785	6.8
543.36816	58.1
544.37024	2.3
561.37891	4.5
568.57782	0.6
642.43573	6.0
646.25775	0.6
676.47864	18.4
677.48248	0.9
687.40295	0.8
722.45441	0.8
884.49786	1.0
902.47156	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	902.5111
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	0.9
67.05502	10.7
68.99781	3.2
69.03430	35.4
69.07065	8.9
69.41175	3.4
71.01362	0.9
71.04997	4.1
71.08658	0.5
73.02914	5.1
76.71501	0.4
77.03883	0.6
77.56496	0.4
79.05485	4.4
81.03419	22.1
81.07057	20.7
83.01345	0.9
83.04971	1.1
83.08616	4.7
85.02905	100.0
87.00829	49.1
87.01258	0.7
87.01604	0.6
87.04465	0.9
91.03952	1.3
91.05472	4.1
93.07046	11.6
95.04968	0.9
95.08608	40.9
97.02892	38.2
97.10180	2.9
98.03294	0.6
99.00858	0.6
99.04453	11.0
101.02387	1.1
103.03938	1.2
105.01866	99.1
105.07038	6.9
107.07869	0.9
107.08595	15.8
109.02882	35.5
109.10157	32.3
111.04436	0.7
111.11727	2.6
115.03936	1.5
117.01829	1.4
117.06999	1.8
119.08574	7.6
121.10143	13.8
123.04433	0.9
123.08099	0.6
123.11708	15.2
125.02327	1.0
125.05941	0.7
127.03917	87.1
128.04198	0.5
129.01822	4.4
131.08569	3.7
133.10133	6.3
135.08035	0.5
135.11694	12.2
137.05956	0.6
137.13254	7.5
139.03819	0.6
143.08511	0.5
145.04961	32.7
145.10117	6.5
147.02850	2.7
147.06503	0.5
147.08020	1.0
147.11702	6.7
149.09547	0.5
149.12071	0.6
149.13258	12.7
151.07533	1.5
151.14827	0.9
157.10098	1.6
158.10939	0.9
159.02885	10.8
159.08066	1.5
159.11696	5.9
161.09645	1.0
161.13261	4.9
163.06090	0.6
163.07501	0.7
163.11174	0.6
163.14830	9.5
165.09109	1.2
165.12766	0.8
169.05060	0.8
171.02873	0.9
171.11702	1.5
173.09618	2.2
173.13237	7.1
175.11223	0.9
175.14810	4.6
177.03946	0.7
177.09068	1.4
177.12796	0.4
177.16402	5.6
179.10684	0.9
179.17958	1.5
181.04922	1.0
183.02895	0.4
185.13176	1.2
187.11154	1.0
187.14801	4.5
189.03940	4.4
189.05444	0.7
189.16377	2.5
191.10674	2.5
191.12241	0.4
191.14366	1.3
191.17940	8.9
193.12201	0.8
193.15910	1.5
193.19513	0.8
197.13329	0.5
199.14789	0.7
201.03946	0.5
201.12752	14.3
201.16454	2.6
202.13167	0.5
203.14281	1.8
203.17961	1.4
205.12177	1.6
205.15961	2.1
205.19516	10.2
207.13921	0.5
211.06021	1.3
213.03944	12.0
213.16356	0.8
215.14281	2.3
215.17921	0.9
217.19476	1.8
219.13802	26.4
219.17377	1.3
219.21046	8.6
221.15323	4.1
223.13364	0.6
229.15878	1.6
229.19441	0.8
231.04997	49.8
232.05219	0.6
233.15359	4.7
233.18930	0.8
233.22710	1.0
235.05873	0.7
235.16945	0.6
237.14842	7.6
239.16325	0.5
245.15305	0.7
247.08119	0.6
247.16902	3.4
247.20593	0.5
249.06056	27.8
250.06400	0.6
251.16414	3.2
253.07112	3.3
259.16583	0.6
259.24133	0.6
261.18481	1.6
265.17905	1.1
271.08047	3.0
273.06076	0.9
275.20056	1.1
283.24329	0.7
289.21533	0.8
301.21457	0.5
329.24643	1.7
343.26144	1.0
347.25470	0.7
355.26523	0.7
357.08234	2.2
361.27341	6.3
373.27316	1.9
375.09171	3.1
393.10272	4.7
393.34952	1.2
411.11298	1.0
411.36285	4.0
421.34662	3.8
439.35715	24.4
440.35809	1.0
455.34579	0.5
457.36783	30.5
458.36801	1.5
613.12958	0.5
696.39532	0.5
902.48700	0.5
918.23199	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5112
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03959	1.2
67.05505	22.3
68.99778	1.2
69.03427	17.9
69.07071	18.1
71.04985	3.2
71.08633	1.3
71.48833	1.3
71.49212	0.9
73.02910	2.4
77.03915	1.1
79.05499	12.1
81.02990	1.2
81.03422	11.5
81.07060	47.2
83.04978	1.1
83.08621	14.3
85.02906	51.9
87.00828	22.9
87.04448	0.8
91.05477	10.1
93.07046	27.9
93.07642	1.5
95.04960	3.4
95.08609	94.2
97.02898	20.7
97.06504	1.0
97.10163	8.2
99.04450	7.2
101.02378	0.8
105.01872	43.9
105.06324	1.1
105.07029	18.1
107.08596	44.0
109.02133	1.3
109.02884	19.9
109.06530	1.9
109.10158	82.7
111.08060	1.5
111.11707	5.5
117.07021	3.6
119.07693	1.1
119.08582	23.1
119.96017	0.8
121.10146	44.6
123.08069	2.3
123.11712	37.5
125.06033	1.1
127.03922	40.2
129.01855	1.8
129.07013	1.3
131.08582	9.2
133.10147	16.8
135.08051	1.5
135.11694	33.0
137.05971	1.1
137.09438	1.0
137.13263	16.5
139.07503	1.2
143.08582	1.3
145.04968	17.1
145.10124	14.8
147.02927	1.0
147.08049	2.7
147.11693	21.6
149.09521	0.9
149.13277	33.2
151.07538	3.1
151.11214	0.9
151.14815	2.6
155.10741	1.1
157.10110	3.6
158.10951	1.6
159.02882	3.7
159.08076	2.3
159.11708	15.3
161.09579	2.1
161.13249	11.8
162.13649	0.8
163.07458	1.3
163.11194	1.3
163.13474	1.3
163.14818	22.3
164.15189	0.9
165.09128	3.2
165.12784	1.8
167.10730	1.0
171.11684	3.4
173.09650	6.7
173.13263	14.4
175.11211	2.1
175.14832	14.2
177.09128	3.3
177.12807	1.0
177.16411	14.7
179.10771	1.9
179.14322	0.8
179.17944	3.4
180.08691	1.9
183.11737	1.2
185.13304	2.1
187.11160	2.8
187.14810	11.6
189.12811	1.4
189.16414	5.3
191.10683	6.4
191.14337	2.7
191.17953	30.8
193.12279	2.5
193.15805	3.2
193.19518	3.6
199.11166	1.7
199.14864	1.5
201.10841	1.5
201.12755	31.4
201.16377	5.5
203.14331	4.3
203.17917	5.4
205.12254	3.6
205.15857	4.9
205.19514	23.3
207.13748	1.4
213.03937	6.4
213.16411	0.9
215.14307	4.9
215.17947	2.9
217.15939	1.4
217.19470	6.5
219.13811	55.1
219.17407	2.3
219.21072	23.3
220.14168	1.0
221.15390	14.8
223.16872	1.0
227.14293	1.0
227.17975	1.4
229.15878	4.0
229.19519	2.1
231.04988	24.2
231.21129	1.5
233.15401	11.0
233.18987	2.0
233.22594	1.4
235.16969	1.7
237.14864	23.8
239.16449	1.4
243.17429	1.0
243.21066	1.1
245.15440	2.7
247.16962	11.6
247.20691	1.0
249.06070	17.2
251.16373	7.2
255.21135	1.0
257.22690	1.5
259.16864	1.2
261.18491	2.9
263.16278	0.9
265.18045	4.8
273.18250	0.9
275.20096	4.0
279.19501	1.0
301.25095	1.2
311.23822	1.0
315.23047	0.9
319.22736	0.9
329.24738	3.5
343.26285	3.4
343.91235	0.8
347.25925	1.9
355.26401	0.9
361.27393	15.0
373.27246	5.1
387.29150	1.1
393.10251	1.2
393.35117	2.4
401.30026	0.9
411.36206	10.6
415.32031	1.0
421.34741	8.1
439.35721	62.7
440.35907	1.5
455.35101	1.7
457.36789	100.0
458.36926	3.6
547.38129	1.6
565.22693	0.9
651.38446	0.9
669.39569	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5114
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	9.7
68.99784	2.0
69.03433	35.7
69.07074	7.5
70.68976	2.4
71.01366	1.0
71.04985	2.5
73.02917	4.8
79.05489	5.2
81.03423	24.5
81.07064	19.6
83.08627	4.5
85.02908	100.0
85.06521	0.7
86.03252	1.3
87.00832	44.4
87.04451	0.9
91.03976	1.4
91.05478	4.8
93.07045	11.3
95.04967	1.8
95.08610	34.3
97.02895	40.0
97.06535	1.0
97.10188	2.4
99.04458	10.7
101.02381	1.1
103.03919	1.5
105.01871	83.9
105.07034	6.7
107.08603	15.4
109.02882	35.2
109.06591	0.8
109.10159	30.0
111.04449	1.0
111.11720	2.3
115.03933	1.4
117.01878	2.4
117.07024	2.1
119.08589	6.7
121.10149	15.4
123.08083	0.8
123.11701	12.2
127.03922	82.5
128.48622	0.7
129.01846	3.1
129.06998	1.4
129.10884	0.7
131.08601	3.5
133.10136	4.6
135.11693	10.1
137.05972	1.1
137.13271	6.3
137.41570	0.7
143.08598	1.2
145.04961	31.5
145.10095	6.9
147.02927	2.5
147.04326	0.8
147.11687	6.0
149.13266	9.8
151.07564	1.1
151.14771	0.8
159.02902	11.0
159.08034	1.4
159.11702	5.0
161.13243	6.2
163.07680	0.8
163.14851	8.3
165.09161	2.3
165.16432	0.8
169.39857	0.8
171.03000	0.9
173.09636	2.0
173.13269	7.1
175.14844	5.2
177.03925	1.0
177.05389	0.7
177.09126	1.1
177.16391	5.7
179.17931	0.9
181.04936	0.9
187.11185	0.8
187.14861	3.0
189.03972	2.9
189.16376	1.2
191.10739	1.8
191.14413	1.4
191.17950	8.6
193.15839	1.3
193.19600	1.3
201.12761	11.2
201.16426	2.1
203.14406	2.1
203.17979	1.2
205.12271	1.7
205.15833	1.7
205.19537	7.7
211.06097	0.9
213.03937	11.8
213.16435	0.8
215.14374	2.5
215.17947	0.8
217.12521	0.8
219.13829	21.0
219.17336	1.2
219.21101	6.6
221.15349	4.6
229.15883	1.0
231.05013	44.4
233.15413	3.7
235.16808	0.9
237.14861	7.0
245.15340	0.9
247.16901	3.9
249.06082	22.8
249.08549	1.4
249.14870	0.8
251.16531	2.6
253.07095	4.1
261.18668	2.1
265.18036	1.0
271.08148	4.2
289.21872	0.7
329.24893	1.5
343.26645	1.0
357.08182	2.7
361.27414	5.8
373.27448	1.5
375.08926	1.6
393.10312	4.6
393.35373	1.1
411.36316	3.6
421.34735	2.4
439.35815	17.2
440.36096	1.1
455.35687	0.9
457.36838	28.2
458.36743	1.3
594.36206	0.9
860.49060	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.4926
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03940	0.8
66.88942	0.4
67.05507	8.9
69.03429	1.1
69.07069	2.9
69.18608	3.5
71.01369	0.4
71.05006	0.5
71.08635	5.0
79.05500	7.3
81.03420	15.2
81.07059	9.7
83.04978	1.9
83.08629	5.0
83.96613	0.3
85.02911	1.1
85.06560	0.5
85.10176	2.7
89.06041	0.4
91.05491	13.7
93.07054	6.4
95.04970	5.1
95.08616	7.4
97.02887	1.1
97.06553	1.0
97.10169	2.0
99.04476	0.4
103.05524	0.6
105.07036	5.1
107.04965	2.7
107.08599	3.7
109.02888	0.4
109.06533	1.4
109.10157	3.6
111.04448	1.0
111.08105	2.0
115.05464	1.0
117.07028	1.8
119.04947	3.0
119.08582	4.1
121.06520	0.8
121.10147	2.8
123.04427	2.3
123.08068	1.1
123.11733	1.1
127.03933	0.4
129.07019	3.5
131.04919	1.0
131.08559	4.2
133.06509	2.6
133.10146	2.9
135.04434	2.6
135.08090	0.8
135.11707	0.5
136.06151	0.6
137.05984	24.4
137.09619	1.0
137.13239	0.5
139.11197	0.4
145.06508	2.4
145.10121	1.1
147.04390	4.4
147.08115	1.8
147.11705	2.5
149.05988	2.9
149.09608	4.5
151.07509	0.4
154.08670	0.6
155.08566	0.7
157.06543	1.2
157.10129	2.6
159.08080	1.7
161.05984	6.7
161.09650	0.7
163.03896	0.6
163.07568	3.2
163.11275	0.5
165.05525	0.4
165.12761	0.7
171.08081	1.2
173.05986	3.3
173.09650	0.7
175.07573	5.8
175.11157	2.5
177.05495	0.5
177.07777	0.6
183.08138	0.4
185.09605	0.7
187.07545	3.9
189.09137	2.0
191.07051	0.8
193.12267	4.8
195.08051	0.5
197.09583	0.8
199.07588	1.3
201.09171	1.7
203.07030	0.5
205.08597	0.5
211.07486	0.5
211.13281	3.3
213.09190	0.7
239.14252	0.5
241.12206	0.5
257.15387	3.7
267.13754	0.6
283.15637	0.6
285.14819	3.7
293.15649	0.4
301.17978	0.7
302.17532	5.0
303.15881	2.8
311.16473	1.7
313.27374	6.3
328.19043	0.5
329.17484	6.9
335.25940	0.7
341.17648	1.1
346.20145	14.8
347.18839	1.4
358.20389	0.4
364.21078	2.8
376.21133	0.7
385.20157	1.6
386.19754	0.4
402.22656	0.8
403.21085	1.7
420.23822	4.1
438.24908	7.5
439.25250	0.4
497.30637	0.4
539.29211	0.9
543.37201	0.7
576.88513	0.4
624.42194	0.4
642.43799	2.9
646.25220	4.1
658.46655	2.2
659.45245	1.9
664.26007	1.5
676.47845	100.0
677.48224	6.6
718.48541	0.5
722.45801	0.6
884.48322	0.9
902.48315	8.6
903.49451	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.4925
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	1.7
67.05506	9.4
69.03430	1.3
69.07066	2.8
71.04984	0.7
71.08634	5.8
71.49517	0.6
73.51737	0.5
79.05491	8.9
81.02938	0.6
81.03414	10.5
81.07054	11.4
83.04993	1.7
83.08624	5.0
85.10187	4.1
86.06067	0.6
89.05987	0.5
91.05476	19.7
93.07049	7.2
95.04977	4.1
95.08607	9.2
97.06546	1.6
97.10166	1.7
103.05437	0.8
103.07635	0.6
105.07032	7.5
107.04948	3.1
107.08594	4.3
109.06525	1.9
109.10140	3.5
111.04443	0.5
111.08091	1.0
115.05450	1.3
117.07009	2.6
119.04947	5.2
119.08559	5.0
121.06483	1.3
121.10134	3.7
122.06062	0.7
123.04448	4.4
123.11742	1.4
124.05267	0.8
128.06261	0.6
129.06990	4.1
131.04965	1.3
131.08557	4.0
133.06488	3.9
133.10127	4.5
135.04401	5.7
135.08041	0.6
135.11702	0.8
136.06143	0.5
137.05978	31.1
141.06999	1.1
143.04904	0.5
143.08516	0.7
145.06458	3.1
145.10222	0.8
147.04401	6.2
147.08026	2.4
147.11700	2.7
149.06007	3.9
149.09613	3.8
152.07126	1.6
154.08643	3.0
155.08609	0.7
157.06494	1.9
157.10101	2.3
159.08046	2.9
159.11720	0.8
161.05994	8.0
161.09648	0.5
163.07494	3.2
164.07027	0.7
165.05577	1.0
165.12785	0.6
171.08095	1.1
173.05994	5.7
173.09587	0.8
174.06419	0.6
175.07590	5.6
175.11208	3.7
183.08064	0.7
184.07518	0.6
185.05904	0.8
185.09602	0.9
187.07542	9.0
189.09113	2.5
191.07053	1.1
193.12241	4.0
197.09654	0.9
199.07538	2.5
200.08060	0.5
201.09148	3.0
211.07761	0.6
211.13326	1.4
213.09186	1.4
215.10815	1.0
227.10738	1.0
239.23766	1.0
257.15396	5.3
258.38760	0.6
266.96747	0.5
267.13715	0.6
283.16840	1.0
285.14795	4.3
301.18198	0.7
302.17520	6.8
303.15793	2.8
311.16385	4.8
313.27338	6.5
328.19086	5.0
329.17435	7.9
340.19653	0.6
346.20132	14.3
347.18726	1.4
364.21143	5.1
376.21106	0.9
385.20111	0.7
402.22864	1.8
403.21576	0.6
420.23825	4.8
438.24933	7.3
539.29144	1.1
628.23950	0.6
646.25378	5.5
658.46777	9.9
659.45947	1.6
664.26569	1.3
676.47821	100.0
677.48169	6.3
700.21820	0.5
722.47382	0.6
773.71582	0.6
879.54822	0.5
884.48169	1.1
902.48938	5.4
903.48834	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.4929
Annotation	Unknow
Peak:m/z	Relative Intensity
65.15623	0.5
67.05509	5.8
69.07066	3.3
71.08636	6.5
71.22128	0.9
79.05495	4.2
81.03422	3.5
81.07059	8.6
83.04977	0.9
83.08624	3.7
84.04526	0.6
85.02904	0.6
85.10191	4.3
89.06069	0.9
91.05487	5.7
93.07035	2.7
95.04961	1.7
95.08617	7.6
97.06538	0.5
97.10173	1.7
105.07071	2.5
107.04993	0.6
107.08609	2.0
109.06536	0.5
109.10152	3.1
111.04446	0.6
115.05492	0.8
116.85340	0.5
117.07041	0.9
119.04955	1.4
119.08584	1.7
121.06522	0.5
121.10143	2.6
123.04499	1.4
123.11715	1.5
125.09675	0.5
128.06213	0.5
129.06999	1.5
131.04938	1.0
131.08604	2.2
133.06522	1.3
133.10155	1.0
135.08057	0.6
137.05980	10.1
143.04921	0.8
145.06499	1.7
145.10155	0.9
147.04428	1.7
147.07986	0.7
147.11760	0.9
148.05170	0.8
149.04938	0.6
149.05945	3.2
149.09596	1.2
151.07561	0.9
156.60507	0.5
157.06467	1.4
157.10167	0.8
159.08084	0.9
160.05205	0.8
160.07707	0.7
161.05981	3.4
162.05507	2.1
163.07611	1.8
163.11272	0.8
164.07062	13.1
164.37617	0.5
171.08113	0.5
173.05984	4.4
175.06339	1.3
175.07619	2.5
176.07077	3.3
176.11974	0.6
177.07858	21.0
178.08556	1.4
180.13899	1.1
184.07376	0.8
187.07582	1.7
190.08636	4.4
191.09457	1.4
192.06502	0.6
193.12209	0.7
199.07614	1.2
201.09212	0.9
202.08633	1.4
203.09460	0.9
204.10269	1.1
205.53036	0.6
216.10262	0.8
257.15448	1.6
257.24811	0.7
274.18027	20.4
274.20895	1.1
283.15546	0.8
285.14746	0.8
287.94385	0.6
302.17517	35.7
303.18030	0.6
313.27377	9.0
320.18576	17.1
329.17569	1.1
335.26001	1.0
346.20129	26.9
358.20065	0.8
364.21237	2.9
376.21066	6.0
394.22260	11.5
420.24207	1.6
438.24908	4.0
510.41867	0.9
539.28729	1.1
598.40912	0.6
614.44098	0.6
632.45251	38.8
633.45813	1.9
642.43799	1.8
646.25354	3.0
658.47174	1.0
664.24402	0.6
674.45923	0.7
676.47852	100.0
677.48016	6.8
722.45703	2.8
840.46643	0.8
858.44342	1.2
884.50806	2.5
902.48450	3.2
903.49176	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.3807
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	1.0
65.39220	0.2
67.05507	0.7
69.03420	0.7
69.07072	12.8
70.07452	0.9
71.04990	0.3
79.05500	4.5
81.07061	0.6
83.05004	0.4
85.02930	0.3
89.03909	0.3
91.05488	17.3
95.04966	0.3
97.02928	0.3
97.06538	28.4
98.06888	0.2
105.05997	0.2
107.04943	0.7
109.06519	1.2
117.03345	0.5
119.04955	12.6
121.06509	0.6
133.06512	0.3
135.04437	0.8
136.05209	1.5
137.05988	100.0
138.06335	1.2
145.02843	2.6
147.04417	2.7
149.06004	1.4
158.07211	0.2
159.08186	0.2
163.03896	2.3
163.07587	0.3
171.29422	0.2
173.05989	0.6
175.07530	0.4
177.05476	6.0
187.07518	0.3
187.11171	0.2
189.09117	1.1
191.06999	0.4
197.09811	0.2
215.10678	1.7
231.06516	0.7
233.11737	86.0
234.12007	1.2
234.89380	0.2
238.81708	0.2
250.14398	58.7
251.14786	1.2
257.13062	0.2
263.18509	0.2
287.05502	2.0
291.08640	2.0
303.05038	0.4
309.09747	0.8
465.33371	0.3
541.87115	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	898.5369
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03911	0.9
67.05509	24.9
69.03415	2.2
69.07071	10.5
71.01355	2.3
71.04993	3.1
71.08633	27.0
73.02915	2.7
73.06539	0.9
76.27675	0.9
79.05499	15.5
81.03417	19.3
81.07058	22.7
81.85403	1.0
82.26869	0.8
83.01350	1.6
83.04983	10.6
83.08618	13.3
84.20958	0.8
85.02901	13.6
85.06519	2.1
85.10187	15.1
86.09711	3.0
87.04472	5.1
89.06036	15.0
91.03944	5.3
91.05477	15.5
93.07053	16.5
95.04969	5.5
95.08610	22.0
95.09184	2.0
96.04537	1.2
97.02889	12.1
97.06544	6.3
97.10176	6.1
99.04463	2.5
99.08092	1.2
103.05434	1.4
105.07034	7.1
107.04963	13.6
107.08599	9.8
109.02876	1.8
109.06515	2.8
109.10162	10.8
111.04431	5.8
111.08070	2.3
111.11726	1.2
117.07014	6.4
119.08608	9.4
121.06515	5.8
121.10165	7.6
123.08060	3.8
123.11706	2.9
125.00018	2.8
125.05970	1.5
125.09609	1.6
127.03898	2.3
129.07021	2.3
131.04945	1.1
131.07011	1.7
131.08568	4.9
133.08617	10.3
133.10085	2.4
135.08046	3.9
135.11696	15.0
137.09628	1.6
137.13245	1.5
145.04942	2.4
145.10143	14.4
147.08055	4.0
147.11673	1.2
149.09604	4.1
151.14835	1.0
153.12738	12.0
155.08548	2.7
163.06038	2.0
163.11200	26.9
165.09044	1.6
167.99600	0.9
173.09596	6.3
175.09689	1.5
177.11221	3.5
181.12247	8.2
184.07336	9.6
189.26584	0.9
191.10661	10.3
209.11716	16.5
227.12811	10.8
229.00636	1.0
239.23669	2.3
247.20624	1.7
255.15926	1.2
257.24728	3.0
265.14319	12.3
265.16882	1.3
283.15402	36.0
291.23251	2.8
301.16458	35.5
313.27359	86.9
314.27667	2.4
383.00333	1.0
503.37286	13.4
504.96985	1.1
521.38434	55.8
522.38721	2.2
539.39447	100.0
540.39575	3.7
683.43518	2.7
784.31219	1.1
932.70001	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.6097
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	1.2
67.05508	4.8
69.03436	1.8
69.07077	3.5
71.05000	1.1
71.08636	39.6
71.49065	0.8
73.02904	3.8
73.06556	4.4
79.05492	4.5
81.03419	2.4
81.07071	6.9
83.04980	1.5
83.08614	2.9
85.02917	2.1
85.10184	20.2
86.09705	1.6
87.04474	34.8
88.24829	0.7
89.06036	100.0
91.03967	0.9
91.05484	15.7
93.07043	8.0
95.04982	2.9
95.08600	6.1
97.02895	1.6
97.06516	1.3
97.10165	1.2
103.05468	1.9
105.07043	5.9
107.04979	5.8
107.07045	1.0
107.08600	4.8
109.06526	1.3
109.10161	2.8
111.04453	1.1
113.06019	1.1
115.07593	0.7
117.07015	3.9
117.09138	3.2
118.07813	0.8
119.04952	2.8
119.08578	5.0
121.06517	15.1
121.10159	4.7
123.08083	2.2
125.00034	1.4
127.14845	1.3
129.07039	1.0
130.08684	1.3
131.07048	15.5
131.08586	2.3
133.08609	67.6
133.10226	1.8
134.40094	0.6
135.08069	6.4
135.11687	4.2
139.11185	1.1
143.08647	0.8
145.10126	3.8
147.08044	8.1
149.09604	6.1
150.06767	3.1
152.69366	0.7
161.09648	1.0
161.11703	0.8
163.11208	7.2
164.08409	1.6
165.09096	4.6
167.10692	1.1
173.09578	0.7
175.09671	8.9
177.11250	25.4
177.12698	1.7
178.10184	0.7
181.12231	0.9
184.07349	5.3
185.11632	0.8
191.10716	5.2
193.12270	2.5
209.11714	4.9
211.13319	2.6
219.12323	2.3
221.13795	4.3
227.12852	1.4
235.13287	2.2
239.15057	0.9
245.13857	1.6
245.19025	0.9
247.20575	15.3
255.16020	2.7
265.14194	0.9
265.16669	1.4
273.22119	3.6
279.16077	1.3
283.15298	4.8
289.21915	1.2
289.25400	2.1
291.19910	1.3
291.23203	26.3
301.16464	6.9
313.27350	18.8
314.27808	0.7
317.24832	2.9
335.25754	5.1
353.22095	0.9
441.27124	0.7
467.79364	0.6
509.59216	0.7
521.38464	5.6
539.39337	14.0
540.39862	1.0
636.14105	0.7
718.42249	0.6
881.58691	1.8
898.45642	0.8
898.61414	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	898.5374
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98281	0.8
64.30438	0.8
65.03924	1.6
67.05511	21.8
69.03428	2.4
69.07076	10.7
69.22296	8.3
71.04972	2.3
71.08643	18.0
73.02921	3.1
79.05083	1.1
79.05503	16.1
81.03426	4.7
81.07062	19.1
83.04998	7.2
83.08226	0.9
83.08626	11.3
85.02911	12.7
85.06544	1.8
85.10187	11.7
86.09706	10.1
87.04432	0.9
89.06037	3.1
91.03967	6.0
91.05483	13.5
93.07050	17.4
95.04975	6.9
95.08616	24.8
97.02905	9.7
97.06544	4.5
97.10172	4.5
98.20801	1.6
98.98400	1.1
99.04457	2.9
99.08113	1.3
105.07050	6.9
107.04961	10.0
107.08599	9.7
109.02890	2.2
109.06514	2.0
109.10155	8.9
111.04453	11.8
111.08092	3.3
113.00013	1.1
113.06047	1.5
113.09645	1.0
114.74424	0.8
115.05431	1.2
117.07034	6.6
117.09100	0.9
119.08589	5.8
121.06510	3.4
121.10142	7.3
123.04456	1.5
123.08138	0.9
123.11701	3.1
125.00021	6.6
125.06001	1.4
127.03916	3.2
129.07014	2.1
131.08582	5.5
133.08609	1.4
133.10121	3.4
135.08044	1.6
135.11694	13.2
137.05951	1.0
137.09630	1.8
137.13251	0.9
143.08507	0.9
145.04967	2.8
145.06451	1.5
145.10123	11.5
147.08049	2.3
149.09630	3.5
153.12724	0.8
154.32004	0.8
155.06082	0.8
155.08572	1.8
163.06046	2.9
163.11192	15.1
165.09120	1.0
173.09621	6.2
175.09706	0.8
181.12230	1.9
184.07352	27.2
191.10724	7.4
209.11740	24.2
227.12804	4.6
229.81598	0.9
239.23659	2.3
255.16003	4.2
257.24768	3.0
265.14343	2.1
283.15427	100.0
284.15714	1.8
301.13324	0.8
301.16364	5.2
313.27396	76.0
314.27673	1.9
341.26953	1.5
424.94681	0.9
427.19547	1.3
465.21411	0.8
521.38434	86.0
522.38599	3.8
539.39465	18.5
898.46631	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	896.5215
Annotation	Unknow
Peak:m/z	Relative Intensity
63.54724	0.4
63.97717	0.5
64.00822	0.4
65.03937	0.7
67.05509	10.3
68.11520	0.5
69.03442	2.3
69.07073	6.5
69.80348	1.0
69.80756	1.7
71.01318	0.7
71.04960	0.8
71.08637	16.4
71.81868	0.5
73.02928	2.6
73.06539	0.5
79.05502	4.7
81.03420	2.1
81.07063	16.4
83.04962	1.0
83.08625	12.5
85.02914	8.7
85.06504	1.0
85.10191	9.6
86.09694	1.1
89.02373	0.9
89.06003	1.7
91.03965	5.4
91.05488	12.7
93.07050	7.9
94.22984	0.4
95.04988	2.8
95.05465	0.5
95.08614	14.9
96.04450	0.5
97.02896	5.9
97.06505	2.0
97.10164	4.1
99.00823	10.9
99.04430	0.6
99.11716	0.8
103.05445	1.1
103.07552	0.7
105.07047	9.2
107.04962	3.9
107.08591	3.8
109.02245	0.6
109.02885	6.8
109.06494	0.9
109.09504	0.7
109.10165	8.8
111.04440	0.5
111.08050	2.0
113.02351	0.6
115.03964	2.1
117.06989	2.0
117.09081	0.8
119.04902	0.6
119.08585	5.7
121.06512	4.2
123.04455	1.0
123.08044	1.0
123.11696	3.6
125.13239	0.7
125.35599	0.4
127.03937	3.4
128.06180	0.8
131.03345	1.4
131.08548	0.7
133.06451	1.2
133.10139	21.3
135.08044	0.7
135.11656	1.0
137.05930	1.2
137.09485	0.7
137.13249	0.9
139.07527	2.1
143.08565	2.7
145.04921	2.3
145.06432	0.6
145.10132	0.6
147.08043	0.7
151.11194	7.5
161.09630	12.2
161.10928	0.7
163.06053	2.9
163.11163	0.6
165.09096	1.0
171.08043	2.0
179.10681	5.8
184.07336	0.9
189.09114	5.7
197.11746	1.4
207.10181	2.2
225.09090	0.5
225.11232	7.1
239.23680	2.3
243.12296	1.6
245.09404	0.5
257.24814	2.2
281.13907	2.4
299.14908	79.4
300.15247	1.8
313.27377	100.0
314.27765	2.3
332.10501	0.4
370.87839	0.5
440.85587	0.4
537.37915	86.8
538.38330	3.9
730.24811	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	892.5413
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05512	0.5
69.03426	0.7
69.07063	0.4
69.99099	0.7
69.99504	1.1
71.04999	0.6
73.02912	1.3
73.06564	2.3
77.03923	0.5
79.05491	7.9
81.07056	0.7
81.89638	0.4
82.19881	0.3
83.60519	0.3
86.09721	0.4
87.04472	11.8
89.06028	62.1
91.05478	12.9
93.07022	1.8
95.04981	2.3
103.05466	8.2
105.04545	1.2
105.07028	100.0
106.07350	1.1
107.04920	2.5
107.07047	1.0
107.08585	0.4
109.10155	0.4
113.05997	0.8
115.05437	0.5
116.06240	1.0
117.07002	2.8
117.09160	2.3
119.04939	1.4
119.08578	6.7
121.06503	14.1
128.06210	1.8
129.07016	4.1
130.08618	0.7
131.07065	3.4
131.08562	10.2
132.05728	1.3
133.08601	40.1
133.10020	1.7
135.08054	0.7
145.06514	1.7
145.10115	0.7
147.08044	46.9
148.08418	0.9
149.09616	9.0
155.06110	0.3
163.11200	0.4
165.09146	0.7
166.07669	0.4
173.09637	1.4
175.09708	2.8
175.11134	0.6
177.11230	12.2
181.10094	2.0
186.44159	0.4
191.10619	0.5
193.12260	0.5
207.08054	0.5
207.11755	0.7
208.08852	0.6
209.11552	0.5
209.13394	0.5
219.12215	0.5
221.09421	0.5
221.13826	2.1
223.11122	2.6
223.15247	0.6
225.12730	26.7
226.13098	0.6
249.12741	3.1
251.14342	3.9
255.15926	0.5
265.16376	0.6
267.13773	1.0
269.15424	3.2
283.17587	0.6
311.16379	0.9
313.17944	1.2
327.17181	0.8
329.18948	0.8
342.76666	0.4
373.21603	8.8
374.21716	0.4
546.73962	0.4
882.00964	0.4
892.51660	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	892.5039
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	4.6
67.05510	40.8
69.03416	10.5
69.07085	17.8
71.04949	3.2
73.02905	2.7
79.05493	52.9
80.37185	2.6
80.90414	3.1
81.03423	42.7
81.07063	44.2
83.04963	9.5
83.08620	14.9
85.02890	12.9
85.06536	3.8
91.03928	4.2
91.05488	57.9
93.07047	45.6
93.35211	3.1
95.04984	17.0
95.08605	20.0
97.02895	10.7
97.06518	6.9
97.10156	5.0
97.23866	3.3
99.04459	3.0
103.05463	6.2
105.04488	3.1
105.07035	30.4
107.04941	13.3
107.08585	26.8
109.06535	4.4
109.10157	8.9
111.08075	5.7
117.06994	15.1
119.04913	7.9
119.08580	21.2
121.06494	6.2
121.10133	11.7
123.04424	9.3
123.08026	4.2
123.11721	4.0
125.09603	3.4
127.03934	3.9
128.06248	3.2
129.06978	10.8
131.04968	6.0
131.08571	19.4
133.06493	8.9
133.10130	11.0
135.04350	6.3
135.08026	4.2
135.11642	7.9
137.05011	4.7
137.05988	53.3
137.09566	3.3
138.91574	2.7
141.06953	2.9
143.08572	5.1
145.06459	7.1
145.10100	8.4
147.04430	12.9
147.08015	5.1
147.11707	10.1
149.05957	8.4
149.09650	14.7
155.08531	4.3
157.10121	8.8
159.11639	5.0
161.05991	15.3
163.03976	3.6
163.07558	9.9
164.07098	3.0
171.08148	3.4
173.06006	16.3
175.07521	12.7
175.11227	4.7
177.05444	3.3
181.10133	3.4
187.07585	12.8
189.09171	5.8
193.12238	11.8
195.07974	3.3
195.13863	3.7
199.07669	4.0
201.09125	3.9
211.13254	3.3
257.15369	10.4
274.27411	14.7
285.14697	7.0
302.17471	15.3
303.15820	5.8
328.18988	3.8
329.17422	15.8
346.20145	20.4
347.18677	6.9
416.18222	3.2
416.89713	3.1
420.24109	8.8
567.14465	3.2
600.34784	4.8
614.36603	11.5
618.36627	7.8
632.37665	15.7
668.41064	4.3
694.43329	14.4
712.44208	100.0
713.43933	6.7
730.45270	52.5
758.41296	3.0
762.41150	2.9
838.47260	5.1
856.47394	9.5
874.49738	44.3
875.50128	4.2
892.50623	67.5
893.49493	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	892.5416
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	0.5
67.05516	0.4
67.38731	0.3
71.04995	0.6
73.02913	1.4
73.06571	2.0
75.97620	0.3
77.03925	1.1
79.05492	7.1
81.03399	0.3
81.07061	0.6
87.04472	10.7
89.06033	56.4
90.06329	0.3
91.05484	12.1
91.06026	0.8
93.07068	1.9
93.08774	0.3
95.04961	1.5
103.05470	8.7
105.04523	1.3
105.07033	100.0
106.07372	1.3
107.04969	2.6
107.07050	1.0
113.06007	0.4
115.05473	0.6
115.07568	0.6
116.06236	0.5
117.07008	2.4
117.09129	2.0
119.04946	1.7
119.07806	0.6
119.08595	6.2
121.06507	13.2
124.99881	0.3
128.06223	1.3
129.06998	3.5
130.08665	0.8
131.07089	3.5
131.08566	10.0
132.05716	1.4
133.08607	38.8
133.10191	1.2
135.08043	0.8
135.10162	0.5
145.06519	1.0
145.10168	0.6
147.08051	44.0
148.08427	0.5
149.09619	10.0
155.06012	0.4
157.06491	0.3
159.08009	0.4
159.10182	0.4
161.11703	0.6
163.07497	0.4
163.11235	0.4
165.06964	0.5
165.09125	0.6
166.07753	0.6
171.08046	0.4
173.09576	1.1
175.09656	2.6
175.11105	0.7
177.11229	13.7
179.08488	0.8
179.12560	0.3
181.10164	2.1
184.07310	0.5
191.10715	1.0
193.12193	0.3
194.10701	0.3
207.11673	0.5
208.08891	0.7
219.12117	0.4
221.09705	0.4
221.13834	2.5
222.10614	0.4
223.11142	2.4
225.12740	24.1
226.12997	0.5
227.12726	0.3
237.12769	0.7
249.12778	4.0
251.14330	3.0
265.16299	1.0
267.13666	0.6
269.15363	2.6
272.11984	0.3
283.17508	0.5
295.16953	0.5
311.16351	1.2
313.17938	1.5
327.17474	0.7
329.18839	1.0
373.21616	7.1
401.23077	0.4
417.24374	0.6
875.50098	0.5
892.52594	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
63.13647	0.2
65.03933	1.0
69.03436	1.4
71.04993	1.2
79.05485	0.2
81.03419	2.4
83.04990	1.9
85.02911	1.9
85.56821	0.1
86.58383	0.2
88.35765	0.1
91.05486	7.9
95.04980	0.3
97.02896	1.6
99.04459	0.5
107.04964	2.4
109.02872	1.2
111.04455	1.8
119.04948	20.0
120.05270	0.2
121.02853	0.9
123.04434	0.6
127.03937	0.7
129.05484	0.4
133.06474	0.3
137.05971	0.7
144.05721	0.2
145.06480	0.2
147.04416	100.0
148.04764	1.1
149.06020	0.2
151.03897	1.5
153.01797	0.3
159.04344	0.2
161.06004	0.4
165.05484	6.3
165.06897	0.3
169.04987	0.6
169.06480	0.2
173.06055	0.2
187.07547	0.4
197.05817	0.2
208.24536	0.1
211.07471	0.2
213.09102	0.7
215.07021	0.4
229.08620	0.2
233.11586	0.3
239.06941	0.4
257.03995	0.2
257.08115	4.3
258.05539	0.2
275.09140	0.6
283.05927	0.2
286.04712	0.2
287.05518	13.7
288.05951	0.3
291.08655	2.8
293.10162	0.4
299.05521	0.6
309.09686	3.4
311.05383	0.5
323.05630	0.2
325.07205	0.2
329.06607	1.6
337.06949	0.2
339.45059	0.2
348.93021	0.2
353.06580	0.6
371.07529	0.2
379.08078	0.3
397.09293	0.7
401.12299	0.3
415.10141	0.6
419.13382	0.7
429.39368	0.2
433.11261	3.0
457.11374	0.3
718.16486	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02390	0.4
65.03960	1.3
69.03431	7.7
69.03773	0.5
71.00068	0.7
71.00416	1.0
71.05002	5.2
79.05506	0.6
81.03419	0.5
83.05003	0.8
85.02909	9.2
85.03387	0.8
87.04492	0.5
89.03914	2.3
91.05473	4.6
95.04996	0.5
97.02899	15.0
97.06526	2.6
107.04941	2.3
111.00804	0.6
115.03933	8.8
117.03390	3.5
119.04948	13.1
123.04465	1.1
129.05492	2.0
135.04424	8.5
137.02341	0.7
137.05952	1.6
141.79463	0.5
145.02852	7.5
145.06471	1.3
147.04417	100.0
148.04764	1.5
153.01852	1.0
153.07114	0.5
157.06496	0.7
163.03908	72.7
164.04315	1.0
165.01750	0.5
169.06491	0.8
173.06003	1.4
175.04027	0.6
181.05043	0.6
185.06012	0.6
187.07596	0.7
189.05484	0.6
195.89719	0.5
201.05470	11.5
213.05463	1.4
215.07005	0.7
217.02963	0.5
217.04996	8.2
229.04868	0.5
231.06502	1.7
233.11766	2.1
234.11932	1.0
241.04915	2.0
250.14470	2.3
251.14697	0.8
259.06052	1.0
261.07593	31.8
262.07861	1.0
277.07077	26.1
279.08633	15.5
279.11713	0.9
279.15002	0.5
287.05508	28.0
288.05814	0.7
295.08145	13.0
303.04993	23.2
304.05188	0.5
343.54144	0.5
410.81314	0.5
529.43146	0.5
923.87305	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
64.30459	0.3
65.03923	0.6
69.03440	2.7
70.03311	0.8
70.03703	0.7
71.04984	2.9
81.03436	0.5
85.02908	5.0
89.03909	0.6
91.05481	5.0
95.54838	0.3
97.02892	7.3
106.57381	0.3
107.04948	2.0
111.04465	0.4
115.03934	2.0
116.60114	0.3
117.03365	0.8
117.69869	0.3
119.04945	16.0
121.02892	0.8
121.66352	0.3
123.04414	0.6
125.22938	0.4
129.05461	1.0
129.07028	0.4
131.04958	0.8
135.04407	1.7
137.02316	0.6
141.07022	0.5
145.02835	1.8
145.06514	0.9
147.04413	100.0
148.04764	2.3
153.01869	1.3
157.06497	0.9
159.04391	0.5
163.03903	14.6
164.04253	0.5
165.01851	0.6
165.05424	0.9
167.03342	0.5
169.06490	0.4
171.08051	0.6
173.05959	1.2
187.07610	0.4
201.05478	11.4
213.05380	0.7
217.04964	1.2
225.81129	0.4
229.05026	0.9
231.06529	0.6
241.05051	0.4
257.04477	0.6
261.07599	27.6
262.07910	0.5
277.07101	4.2
279.08685	8.6
287.05524	10.8
288.05719	0.5
295.08228	1.7
303.04990	23.0
304.05322	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4813
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05518	1.9
69.03429	4.5
69.07065	0.5
69.26588	3.2
70.70877	0.3
71.01367	0.5
71.05019	0.6
71.08630	1.7
73.02918	3.5
79.05511	1.1
79.82755	0.3
81.03410	3.0
81.07056	2.1
83.08635	0.7
85.02905	6.2
85.10199	0.8
87.04478	0.9
91.03951	3.7
91.05483	0.8
93.07048	0.8
95.08597	2.3
97.02888	7.2
97.10202	0.7
98.20792	0.6
99.04475	0.9
101.02370	2.0
103.03957	0.7
105.07030	0.5
109.02879	0.8
109.10175	0.8
115.03942	0.5
116.86310	0.3
117.07066	0.5
121.10088	0.3
123.11691	0.4
127.03874	2.0
135.11668	0.6
145.05003	0.5
145.10194	0.8
147.06815	0.4
163.11279	0.6
163.64679	0.3
177.97037	0.4
185.04204	0.9
203.05350	0.6
203.28934	0.4
239.23799	0.4
243.08385	2.2
283.15591	0.3
313.27405	1.7
347.09442	2.1
365.10648	0.7
405.13651	5.1
431.64648	0.3
467.18927	4.0
497.30862	6.5
554.73132	0.4
629.24048	3.2
659.36066	7.8
723.43054	2.0
885.48108	100.0
886.48456	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	886.5303
Annotation	Unknow
Peak:m/z	Relative Intensity
63.28374	0.5
65.03798	1.6
65.04124	1.0
67.05367	13.5
67.05772	4.5
67.16600	0.5
69.03283	2.3
69.06932	3.4
69.07336	0.9
69.24795	4.9
69.25111	0.5
70.06485	0.9
71.04900	0.9
71.05211	0.5
72.08059	0.6
72.08399	0.5
73.02775	2.1
73.03205	1.0
79.05339	15.7
79.05855	3.6
81.03265	11.0
81.03799	2.4
81.06903	14.5
81.07439	3.4
83.04850	1.2
83.08461	4.7
83.08996	1.0
85.02752	4.2
85.03310	0.9
85.06448	0.8
86.09547	1.5
91.03792	1.6
91.05314	24.5
91.05952	4.2
92.05691	1.2
93.06877	13.9
93.07529	2.6
95.04791	5.4
95.08438	8.9
95.09091	1.5
97.02715	3.4
97.06358	2.4
97.10067	0.7
97.96696	0.5
103.05312	1.4
105.04389	1.1
105.06854	13.2
105.07634	1.7
107.04784	2.5
107.08408	7.1
107.09197	1.0
109.02730	0.6
109.06329	2.0
109.09974	3.7
110.10399	0.5
111.07921	1.6
115.05271	2.2
117.06826	5.2
118.07245	0.5
119.04749	2.6
119.05622	1.0
119.08392	12.0
119.09344	1.2
121.06300	1.9
121.09950	5.6
123.04231	3.0
123.07950	1.2
123.11555	1.0
125.68298	0.5
127.03754	0.7
128.06087	1.2
129.05383	1.0
129.06801	5.7
131.04829	0.9
131.08380	7.4
133.06287	3.0
133.09930	6.4
135.04219	1.6
135.07870	1.7
135.11523	1.5
136.81126	0.5
137.05775	14.7
137.09462	0.8
141.06824	1.0
142.07594	1.0
143.08333	1.7
145.06447	2.6
145.10124	2.7
147.04199	3.6
147.07826	2.2
147.11479	3.5
149.05774	5.1
149.09608	4.8
151.07378	0.9
157.06265	1.9
157.10106	4.0
159.07857	1.5
159.11574	1.2
161.05981	6.2
161.09409	0.9
161.13051	0.6
163.07320	3.2
164.06921	0.6
165.06696	0.5
169.06461	0.5
171.07845	1.2
171.11507	1.1
173.05986	4.5
173.09418	1.2
175.07542	4.3
175.11220	2.6
175.14760	0.6
177.05315	0.7
177.07651	1.2
177.09032	0.7
183.07825	1.3
184.07042	0.9
185.05823	1.0
185.09384	0.5
185.13107	0.8
187.07562	4.1
187.11006	0.6
189.05359	0.8
189.08899	2.0
189.16138	0.7
191.06921	0.7
193.12207	5.9
197.05894	0.9
197.09468	1.2
199.07303	1.7
199.09053	0.7
199.10976	0.6
199.14581	0.6
201.08871	2.0
203.06853	0.9
203.17792	1.1
211.07417	1.0
211.13029	1.9
213.08943	0.7
215.10490	0.6
217.08382	0.6
257.15405	3.5
267.13617	0.8
269.22455	0.5
274.17999	0.5
285.14954	2.8
302.17548	3.4
303.15741	2.3
311.16443	0.7
329.17480	4.7
335.25732	0.7
341.17383	0.5
346.20087	4.5
347.18356	0.9
361.27396	4.1
376.21136	0.9
393.17068	0.5
402.22504	1.0
420.23767	3.8
438.24759	1.5
499.48242	0.6
680.45746	1.0
706.46924	2.4
707.45160	1.0
722.45941	0.7
723.46136	1.7
724.47772	100.0
725.48169	4.0
766.49323	1.0
802.48450	1.2
832.49219	0.8
850.50964	4.4
868.51831	5.1
886.53058	56.8
887.53937	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	884.5579
Annotation	Unknow
Peak:m/z	Relative Intensity
65.81332	1.2
67.05505	54.8
69.03430	2.1
69.07072	9.3
69.13898	12.7
71.04665	1.4
71.04997	15.6
71.08630	21.2
73.02924	3.5
77.74845	1.1
78.14806	1.3
79.05497	8.6
80.34441	1.2
81.03432	2.3
81.07058	23.6
81.33342	1.2
83.04967	2.2
83.08616	12.2
85.02888	9.6
85.06530	2.5
85.10177	13.7
91.03953	5.1
91.05488	10.2
93.07059	8.9
95.04962	1.4
95.08608	25.3
97.02879	5.2
97.06541	2.4
97.10169	5.7
98.21526	2.7
99.11698	1.2
105.07032	3.4
107.08570	3.8
109.10159	54.5
111.08072	2.1
117.07038	1.5
119.08594	8.0
121.10140	2.6
123.11721	2.6
125.93529	1.4
127.03909	3.8
133.10115	1.3
135.04317	1.4
135.11732	7.2
137.09641	6.5
145.04936	1.5
145.10103	1.9
155.10686	4.0
163.06029	2.7
163.11148	2.2
169.12218	1.3
173.11758	6.5
229.14262	1.7
239.23695	3.3
255.15857	5.0
267.19537	1.2
287.18494	13.0
308.52621	1.2
313.27377	24.1
314.27814	1.3
436.49213	1.4
467.37360	86.2
468.37537	3.6
493.38931	11.4
525.41522	100.0
526.41791	4.1
669.45135	3.8
884.49084	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.515
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03818	1.7
67.05370	15.7
67.05775	4.6
67.05997	0.7
69.03293	2.4
69.06927	3.4
69.17667	0.7
69.18066	5.2
71.04881	1.0
73.02801	1.6
77.03815	0.6
79.05346	16.7
79.05856	3.3
81.03268	4.7
81.03790	1.0
81.06908	12.9
81.07440	2.6
83.04829	1.5
83.05267	0.5
83.08478	1.5
83.44244	0.5
85.02753	4.3
85.03306	1.3
87.08707	0.5
91.03793	2.2
91.04347	0.9
91.05322	23.6
91.05956	3.7
93.06883	15.8
93.07540	2.5
95.04811	3.5
95.08447	10.6
95.09096	1.7
97.02730	4.3
97.06367	1.9
98.21471	1.0
101.02258	0.6
103.05302	2.4
105.04418	1.0
105.06863	15.4
105.07655	2.0
107.04784	5.1
107.05556	0.7
107.08420	5.8
109.06358	1.5
109.09986	4.2
110.02409	0.5
115.05279	3.1
116.06113	1.3
117.06837	7.9
119.04765	3.0
119.08398	7.0
121.06322	3.7
121.09959	6.9
122.50230	0.6
123.04233	3.2
123.07891	1.7
123.11555	0.9
127.03802	1.0
128.06050	3.0
129.05382	0.6
129.06813	8.9
131.04749	2.2
131.08383	10.8
131.09431	0.9
132.05432	0.6
133.06297	10.6
133.09927	3.1
135.04224	6.6
135.07854	3.3
135.11488	1.7
137.05785	10.7
141.06819	1.8
142.07664	1.0
143.08377	4.1
145.06474	2.7
145.10092	4.6
147.04201	5.1
147.08043	3.0
147.11513	2.2
149.05769	9.6
149.09424	2.7
149.13107	0.9
153.06805	0.8
155.08334	2.7
157.06276	2.3
157.10129	3.6
159.07928	1.1
159.11507	1.4
159.12723	0.5
160.05072	0.6
161.05997	17.4
161.09480	1.4
161.13208	0.7
163.07558	4.9
163.10800	0.7
164.06891	1.7
165.05280	1.0
165.06856	1.1
166.07626	0.7
167.08385	1.0
169.06380	1.1
169.09988	1.1
171.07848	1.9
171.11705	4.0
173.05962	4.4
173.09631	3.1
173.13087	1.0
175.07541	5.8
175.11043	1.2
176.06934	1.2
177.07875	6.2
178.08426	1.7
179.06848	1.8
179.08403	1.2
181.06329	0.7
181.09920	2.0
183.11600	0.8
184.07187	0.8
185.05818	0.6
185.09460	0.9
187.07599	3.2
189.05284	1.6
189.08925	1.4
190.08453	0.8
191.06871	1.5
197.09425	1.2
199.07611	2.9
199.11215	2.8
201.08936	1.3
201.12543	0.7
203.07037	6.0
211.07396	1.0
213.08919	2.1
215.06918	0.8
215.10463	0.7
217.08429	0.7
217.12096	1.2
225.09073	3.0
227.10417	0.9
237.08842	0.8
239.10568	1.0
243.10028	0.6
249.08934	0.8
251.10487	1.4
253.12141	0.6
269.11450	0.9
309.14655	2.0
326.17392	0.6
335.22156	0.6
335.25790	9.0
352.18307	0.7
353.17343	1.5
370.20105	4.6
400.21213	0.6
407.10217	0.6
426.22623	1.1
444.23767	7.4
445.23901	0.6
449.53809	0.5
462.24725	1.6
551.47754	0.6
606.29529	0.9
678.43536	2.0
704.45233	5.1
705.43573	1.1
722.46265	100.0
723.46893	6.5
764.47278	1.3
800.47491	1.5
812.46710	0.8
830.48846	1.6
840.48743	1.9
848.49213	4.8
866.50488	6.5
884.51587	54.4
885.51947	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	884.5152
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03794	1.6
67.05364	14.0
67.05766	5.1
69.03284	1.8
69.06925	2.7
69.07333	0.9
71.01223	0.6
71.04868	0.9
71.36208	0.4
71.49125	0.7
73.02775	1.6
73.03204	0.7
77.03827	0.8
79.05334	18.3
79.05852	4.5
81.03256	5.7
81.03792	1.3
81.06897	12.3
81.07430	3.0
83.04817	1.4
83.08448	1.5
85.02737	3.2
85.06434	0.4
86.09567	0.4
91.03793	1.2
91.05310	21.4
91.05945	4.0
93.06873	15.5
93.07525	2.8
95.04791	3.2
95.05440	0.6
95.08431	9.4
95.09118	1.7
97.02717	3.5
97.03387	0.6
97.06345	1.3
101.02240	0.6
103.05282	2.0
105.04393	0.7
105.06849	15.1
105.07635	2.1
107.04771	3.8
107.08401	7.3
107.09196	1.0
109.06326	1.5
109.09966	3.3
111.07944	0.5
115.05269	3.5
116.06065	1.5
117.06829	7.8
119.04753	3.0
119.08382	6.0
119.09294	0.8
120.48721	0.4
121.06306	4.3
121.09946	6.9
123.04234	2.5
123.07884	1.2
123.11557	0.8
127.03728	0.8
128.06024	2.1
129.06802	8.8
129.07845	0.9
131.04730	2.2
131.08363	9.8
131.09402	1.0
132.05603	0.4
133.06287	10.1
133.07376	0.9
133.09915	3.7
135.04208	4.4
135.07835	3.3
135.11481	2.4
137.05768	11.9
137.09598	0.5
141.06967	2.0
142.07639	0.9
143.04744	0.6
143.08534	3.9
145.06258	2.9
145.09906	4.0
147.04385	3.9
147.08023	2.4
147.11469	2.0
148.05042	0.4
149.05762	7.3
149.07016	0.6
149.09605	3.3
149.13080	0.6
152.06905	0.6
153.06822	0.8
155.08560	3.6
156.09201	0.6
157.06480	2.3
157.10109	3.6
159.07837	1.1
159.11493	1.2
160.04988	0.7
161.05753	15.8
161.09398	1.4
161.13150	0.5
162.05301	0.5
163.07545	3.6
163.11029	0.4
163.14603	0.4
164.06850	1.5
165.05353	0.5
165.06770	1.1
166.07565	1.1
167.08453	0.9
169.06291	0.7
169.09915	0.9
171.08052	2.2
171.11684	3.1
172.08713	0.4
173.06009	3.6
173.09633	3.2
173.13005	1.2
174.06459	0.6
175.07553	5.2
175.11067	0.6
176.06857	1.1
177.07848	4.3
177.09164	0.7
178.08525	0.6
179.06827	1.8
179.08365	0.8
181.06354	0.4
181.09895	1.8
183.07840	1.1
184.07227	1.0
184.08720	0.7
185.05795	0.9
185.09384	0.8
187.07538	3.1
187.11092	0.7
189.05237	1.6
190.08533	0.8
191.06779	0.7
191.10471	0.9
195.07870	0.9
197.09427	1.1
199.07541	1.8
199.11185	2.7
201.08882	1.1
201.12520	0.6
203.07042	8.4
204.10072	0.6
205.08351	0.6
207.07915	0.6
209.09451	0.7
211.07257	1.2
211.11020	0.5
213.08838	1.8
215.10454	0.9
217.08551	0.8
217.11989	1.6
225.09145	2.5
227.10516	0.7
229.08380	0.6
237.08868	0.5
239.10536	1.1
241.08423	0.8
243.09988	0.6
251.10469	1.4
269.11536	0.6
309.14755	1.0
326.17233	0.5
335.16339	0.5
335.22174	0.5
335.25812	8.3
352.18896	0.6
353.17538	2.0
370.20218	4.7
382.19547	0.6
394.42645	0.4
400.21005	0.7
426.22806	1.1
427.20593	0.4
444.23816	6.9
462.24768	0.9
606.28711	1.1
630.41785	0.6
678.43335	1.0
704.45166	4.8
705.44006	1.1
722.46259	100.0
723.46631	6.2
764.47339	1.3
800.47717	2.0
812.48163	0.6
830.48254	1.2
840.49469	1.2
848.49652	3.0
866.50507	7.0
884.51611	42.7
885.51581	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	884.4076
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	0.6
69.07062	1.2
70.31344	1.5
70.56532	0.4
71.02467	1.1
79.05488	1.3
80.05012	1.5
81.03419	0.5
81.05788	0.7
82.06571	1.2
89.14915	0.4
89.67012	0.4
91.05474	3.9
93.05762	0.4
93.07051	6.7
94.06574	6.9
95.04977	1.0
95.07365	7.3
96.08134	14.2
97.06525	2.1
98.06047	0.7
103.05456	1.1
106.06538	1.1
107.07342	2.4
108.08121	9.5
109.08905	1.3
110.06013	0.4
110.09683	25.4
118.06577	0.6
119.04952	0.7
119.81873	0.4
120.08109	22.5
121.06502	1.1
121.08901	2.5
122.06039	6.2
122.09666	4.4
123.06807	1.2
124.07592	1.1
131.07323	1.5
134.09636	0.8
136.07587	7.1
137.05988	4.0
138.09143	100.0
139.09476	1.0
140.07037	1.0
140.10699	0.9
141.80350	0.4
146.09656	2.4
147.04420	0.9
147.79430	0.4
148.07594	1.1
149.07141	0.5
150.05511	0.5
150.09175	4.9
153.10225	0.7
160.07523	1.0
162.05492	0.9
163.08633	0.7
164.07068	13.3
166.08635	5.4
168.10197	0.5
174.09146	5.6
177.06621	4.0
181.09720	10.6
188.07056	2.5
189.10332	0.4
191.08147	10.5
192.10236	1.9
196.47949	0.4
200.10770	0.4
201.06604	0.7
201.10275	0.8
202.08788	7.2
203.04607	0.7
203.08141	3.4
204.06541	1.6
205.09729	1.1
206.08084	0.5
211.08669	0.4
213.10301	0.7
215.08163	0.5
215.11888	0.4
216.10274	0.5
217.09727	5.1
218.08121	0.4
219.11369	1.9
220.09708	3.9
226.08640	0.5
227.08218	0.7
229.06071	0.7
230.08183	5.6
231.07764	1.0
231.11249	0.8
233.09204	1.1
233.11708	1.8
235.10883	1.7
241.13374	0.4
243.07620	0.6
243.11319	1.5
244.09680	1.6
245.09178	4.6
246.07663	0.6
247.10864	1.0
248.09200	5.5
250.14375	0.7
253.11781	0.6
257.09131	1.8
259.10803	1.5
261.08716	23.5
263.10269	3.6
265.11938	1.4
271.07156	0.8
271.10745	0.7
272.09186	3.1
277.12274	0.4
279.13358	0.6
280.74963	0.4
283.14517	0.5
285.08698	1.9
285.12256	0.4
287.10263	6.3
288.08646	1.1
289.11826	0.7
290.10297	0.9
291.09677	0.5
296.13788	0.4
299.10074	0.5
305.08060	0.8
305.11325	4.8
307.12885	8.3
313.08170	2.3
315.09540	0.5
326.15103	0.7
329.14917	0.5
331.09131	2.8
333.10767	2.1
340.12842	0.5
352.16635	1.2
361.14389	0.7
364.16595	0.6
378.18195	0.9
380.16077	1.4
398.17120	5.3
406.17645	3.5
408.19849	0.5
424.18591	1.2
426.20300	1.3
434.17191	3.0
444.21323	1.7
452.18146	3.4
454.19647	4.8
468.17957	1.3
470.19290	20.7
472.20743	6.4
480.17636	8.4
498.18869	3.2
525.24347	0.7
543.25732	1.4
553.24066	0.8
571.25641	1.9
587.47577	0.4
589.26587	17.1
590.26587	1.0
599.25024	1.5
607.27643	13.2
608.27716	0.7
617.26062	37.6
618.26501	2.0
635.27130	48.4
636.27271	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	883.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	0.3
69.63389	1.0
71.02483	0.2
79.05508	0.8
80.05013	0.5
81.05803	0.4
81.07030	0.4
91.05489	0.5
92.39946	0.2
93.07057	0.3
94.06575	1.2
94.07832	0.2
95.08617	0.2
96.04475	0.3
98.20608	0.1
105.07030	0.7
106.06553	3.1
107.07344	12.5
108.08179	0.3
120.08113	0.8
121.08909	0.5
122.06108	1.2
122.09673	100.0
123.10062	1.0
130.31738	0.2
136.07582	2.4
136.11224	0.2
147.24858	0.2
148.07545	0.3
148.11198	0.2
149.08374	0.3
150.09146	2.7
153.10204	0.2
162.05444	0.4
162.09166	0.4
164.07092	2.1
164.10739	0.7
166.08650	2.5
176.10727	0.7
177.06677	0.4
181.09726	1.8
186.05627	0.2
188.07092	0.5
191.08179	1.6
202.08640	1.5
203.08199	0.5
204.06613	0.2
217.09824	0.4
218.08159	0.2
220.09604	1.0
227.08183	0.2
229.06134	0.2
230.08081	1.3
243.14806	0.2
244.09717	0.2
245.09236	0.7
247.10693	0.2
248.09297	1.0
259.10809	0.2
261.08746	0.8
263.10339	0.2
272.09247	0.6
287.10321	0.7
289.11902	0.7
305.07892	0.3
305.11462	0.4
307.12900	1.1
312.09100	0.2
326.15823	0.2
329.10797	0.2
333.10873	0.3
350.14951	0.2
362.19077	0.2
370.15079	0.8
390.17978	0.5
398.17123	0.4
406.17758	0.2
408.19403	0.2
410.20691	0.3
436.18851	1.6
452.18048	1.6
453.32455	0.2
454.19595	0.4
470.19287	7.0
471.19791	0.3
480.18073	0.2
555.25989	0.2
573.27045	3.2
574.27246	0.2
575.24915	0.3
591.28186	7.1
592.28345	0.5
599.25031	2.7
610.01886	0.2
617.26172	3.8
618.26166	0.3
699.46045	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	0.3
68.73891	0.2
69.13682	0.7
69.14100	0.9
71.72655	0.1
74.06188	0.1
77.03899	0.2
79.05482	0.7
80.05012	0.4
81.05824	0.3
81.07088	0.3
91.05487	0.4
93.07037	0.4
94.06577	1.3
95.08691	0.2
98.20673	0.3
105.07008	0.7
106.06555	2.5
107.07343	11.7
108.08149	0.3
120.08115	0.7
121.08886	0.5
122.06167	1.0
122.09676	100.0
123.10023	1.1
124.11260	0.2
136.07581	2.2
136.11197	0.2
148.07631	0.4
148.11221	0.3
149.08391	0.3
150.09135	1.8
160.07579	0.2
162.05490	0.3
162.09203	0.4
164.07048	1.9
164.10756	0.6
166.08630	2.2
174.09178	0.3
176.10721	0.5
177.06638	0.6
181.09721	1.8
188.07140	0.4
191.08144	1.3
200.10760	0.2
202.08620	1.1
203.08220	0.4
205.06213	0.2
217.09666	0.2
220.09727	0.7
229.13698	0.2
230.08182	1.5
243.11313	0.2
244.09909	0.2
245.09288	0.7
248.09274	0.9
259.10840	0.5
261.08829	0.7
261.12607	0.2
263.10312	0.5
265.12015	0.2
271.14404	0.3
272.09174	0.8
287.10324	0.7
289.11929	0.6
290.10092	0.2
307.12930	1.0
313.15417	0.3
326.15866	0.2
333.10931	0.2
370.14896	1.3
380.16501	0.3
390.18274	0.4
398.17242	0.4
434.17148	0.2
436.18973	0.8
452.18207	1.7
454.19272	0.3
470.19272	6.8
471.19699	0.3
480.17801	0.2
555.25946	0.3
573.27155	3.4
575.24988	0.2
591.28143	6.8
592.28430	0.5
599.25122	2.4
617.26062	3.7
617.36194	0.2
767.30505	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05525	0.4
69.17178	2.2
69.17579	0.6
79.05498	0.8
80.05022	0.3
81.05822	0.3
81.07025	0.4
91.05466	0.5
92.04956	0.3
93.07017	0.4
94.06587	1.3
94.07859	0.3
98.21678	0.4
105.07019	0.6
106.06573	2.9
107.07348	10.6
108.08139	0.6
120.08089	1.4
121.08992	0.4
122.06106	1.8
122.09676	100.0
123.10004	1.1
124.11246	0.5
131.07413	0.4
133.08948	0.3
136.07588	3.4
146.09674	0.6
147.06721	0.3
148.07574	0.5
148.11252	2.2
149.08356	0.5
149.11961	0.4
150.09138	2.3
162.05475	0.5
164.07086	2.4
164.10712	0.9
166.08641	4.1
174.09160	0.4
176.10730	4.4
177.06618	0.5
181.09721	1.5
188.07097	0.4
191.08157	1.5
200.07138	0.4
201.06606	0.7
202.07039	0.4
202.08820	2.9
203.08237	0.9
204.06516	0.3
214.12329	0.3
215.08246	0.3
217.09724	2.8
220.09708	5.0
230.08145	1.7
233.09244	0.6
243.07741	0.6
243.11383	0.6
245.09271	1.2
248.09122	0.7
257.09360	0.7
259.10791	0.7
261.08725	16.0
262.08820	0.5
263.10281	0.6
265.12030	0.4
269.09137	0.3
272.09189	1.0
285.08875	0.3
287.07425	0.4
287.10260	2.1
288.08545	0.3
289.11945	0.4
302.12851	0.6
305.07797	2.0
305.10861	0.4
307.13062	0.8
313.08273	0.8
315.09845	0.5
346.19354	0.4
347.17545	0.4
348.17197	0.3
349.15405	0.3
361.14218	0.6
364.20288	0.5
370.14624	0.4
372.16916	0.5
380.16263	0.7
388.16516	0.4
390.18164	2.7
391.17267	0.4
392.19952	0.3
398.17072	2.5
408.19266	0.4
410.20615	0.4
418.17743	1.5
434.16769	0.4
436.18726	7.1
452.18140	1.7
454.19632	0.3
462.16650	0.5
470.19308	7.4
471.19611	0.5
476.25385	0.3
480.18259	0.5
509.25620	0.3
555.26001	1.6
573.27075	17.5
574.27521	0.9
581.24072	0.7
591.28180	12.7
592.28381	0.8
599.15375	0.4
599.25049	6.9
617.26086	5.1
618.26764	0.4
804.46826	0.3
829.85901	0.3
903.39752	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5424
Annotation	Unknow
Peak:m/z	Relative Intensity
62.20938	0.4
65.03916	0.8
67.05511	14.2
69.03433	2.4
69.07079	6.7
69.17496	1.8
69.17918	2.4
71.04984	2.2
71.08639	16.9
73.02927	2.0
73.06511	0.6
79.05497	9.0
81.03422	27.4
81.07060	17.7
83.04504	0.4
83.04983	6.6
83.08620	15.0
84.08935	0.4
85.02910	16.8
85.06546	0.7
85.10186	10.1
87.04437	0.8
89.05998	1.5
91.03956	4.4
91.05486	13.0
93.07050	6.7
95.04974	12.2
95.08612	15.6
97.02416	0.5
97.02902	5.4
97.06503	1.5
97.10184	4.5
99.04443	0.8
99.08083	0.7
99.11726	0.5
103.07555	0.9
105.07033	8.8
107.04955	2.8
107.08604	3.7
109.06532	2.3
109.09475	0.6
109.10163	7.3
109.10864	0.9
111.04427	0.7
111.08092	5.1
111.11682	0.6
111.72249	0.4
113.05997	1.0
115.05453	0.5
117.06977	1.2
119.07815	0.6
119.08591	8.3
121.06493	1.0
121.10167	4.0
123.08034	1.3
123.11716	3.2
125.09581	0.7
127.03888	1.9
129.07021	4.7
131.08569	5.4
133.06497	1.1
133.10136	4.8
137.09627	1.0
137.13223	1.2
142.07745	1.4
145.04939	1.6
145.10091	0.8
147.08005	1.9
147.11694	7.0
149.09625	3.6
157.10133	6.2
163.06006	2.2
165.12712	1.4
175.11191	7.3
193.12257	20.3
211.13303	24.6
221.22801	0.6
239.23685	1.7
257.24832	1.7
267.15933	12.1
285.16980	34.7
286.17212	0.9
313.27383	68.0
314.27634	1.7
505.38913	17.7
506.39130	0.7
523.39978	100.0
524.40320	3.5
598.14746	0.4
667.43768	0.9
720.44159	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02938	1.4
61.47733	1.0
65.03924	1.7
67.05505	7.6
69.03430	3.0
69.07070	4.5
71.04994	1.5
71.49810	1.5
73.02916	2.6
79.05490	9.9
81.03426	9.5
81.07060	6.2
83.04987	3.5
83.08619	1.3
85.02902	4.2
91.03931	1.5
91.05485	19.5
93.05771	2.5
93.07037	8.5
94.06570	4.8
95.04973	4.6
95.08601	3.5
96.08109	1.2
97.02934	2.5
97.06544	4.7
105.07026	5.5
106.06570	2.3
107.04970	2.2
107.07346	3.9
107.08580	3.0
108.08122	13.2
109.02931	1.3
109.06493	1.4
109.08941	2.2
109.10146	2.3
110.06050	1.5
117.07024	1.5
119.04944	5.8
119.08601	4.4
120.08115	3.0
121.06487	1.9
121.10151	3.0
122.06030	7.6
122.09674	30.3
122.10512	2.2
123.04427	2.3
123.08053	1.5
124.11272	5.7
127.03911	1.3
131.04906	1.5
131.08591	3.0
133.08636	1.3
133.10178	2.1
134.05965	2.6
135.04465	1.3
135.08075	1.4
136.07582	19.2
136.11247	1.7
137.05981	17.6
138.06395	1.5
139.11186	8.0
146.09689	5.6
147.04433	2.9
147.11693	1.6
148.11238	2.7
149.05978	2.6
149.08400	1.5
149.09579	2.7
150.09145	1.3
157.10138	2.4
159.08116	1.4
161.05997	4.1
162.05487	5.7
164.07068	32.9
164.10741	1.9
166.08601	2.6
174.09123	1.1
175.07518	1.4
176.07109	1.8
177.07884	1.5
184.07411	1.3
187.07443	1.6
189.06610	1.4
190.04922	1.6
190.08636	2.0
193.12439	1.6
203.08167	2.5
212.07094	1.2
217.09697	3.1
219.07755	3.7
227.11728	1.3
229.09760	3.2
231.07695	3.4
233.09239	4.4
235.10718	1.6
241.09712	2.0
242.10579	1.6
245.09242	3.8
247.29124	1.2
251.11864	1.1
253.09776	2.3
253.13469	1.3
257.09109	1.9
259.10681	1.4
261.08719	2.2
270.13696	1.8
271.10767	3.6
271.14337	2.4
275.16464	4.7
276.16599	1.8
277.09525	1.2
277.11972	6.7
278.12900	3.0
280.11130	1.2
283.13242	1.6
287.10461	2.0
290.12643	1.3
291.10788	1.2
291.13736	2.6
292.14532	1.9
292.19131	8.7
293.16342	4.3
293.19458	1.6
296.13940	1.8
297.12381	1.7
304.14438	4.1
306.16006	40.9
307.13931	1.6
318.12460	1.9
318.16019	1.5
319.13211	1.9
320.13947	3.5
321.12344	1.3
321.16003	1.8
324.17172	5.1
325.15271	7.1
332.13818	5.7
334.12076	1.7
335.16446	2.6
336.13516	1.9
336.17062	16.5
337.14426	3.7
338.14713	1.3
346.15634	1.6
347.16205	8.3
348.13416	1.8
348.17130	10.0
349.15283	1.9
350.14890	3.8
351.12952	3.2
362.14972	3.6
364.16751	2.4
365.17480	7.7
366.18155	39.8
367.16495	16.0
374.15027	2.0
376.12744	3.1
380.15970	4.3
380.20163	2.2
384.19168	16.3
390.18228	16.1
391.16483	2.6
392.16000	5.0
393.14929	1.2
406.17645	3.2
407.12311	1.9
408.19208	100.0
409.18524	4.9
410.17029	6.0
416.15930	2.5
422.20825	1.5
424.15073	2.7
426.20261	83.9
427.20551	3.4
432.18954	1.8
434.17105	14.1
450.20203	3.8
452.18146	22.3
453.18307	1.9
468.21497	2.3
529.24127	4.1
547.25977	1.5
553.24487	4.0
571.25482	24.8
571.33832	2.1
572.25732	1.4
578.26770	1.3
587.01648	1.2
589.26544	30.0
597.23108	4.2
604.34967	1.9
615.24420	17.0
633.25635	13.5
638.22931	1.2
682.39160	3.1
683.39410	3.4
700.40167	3.5
701.40314	4.0
718.41205	4.9
719.41431	5.9
729.26190	1.3
863.45850	5.6
880.46600	5.8
881.47198	11.4
903.11652	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5258
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	2.4
61.03173	0.5
67.05508	12.4
67.05835	0.5
68.64204	0.4
69.03410	1.2
69.07070	7.6
69.63430	1.3
69.63863	1.6
71.04958	1.6
71.08634	18.4
73.02879	1.7
74.18891	0.4
79.05495	11.4
81.03397	1.4
81.07055	17.0
83.04944	1.6
83.08175	0.7
83.08620	10.1
85.02914	2.8
85.06522	0.7
85.10184	10.9
87.04450	1.1
89.06029	2.5
91.03931	1.7
91.05482	5.6
93.07043	17.0
95.04981	3.3
95.08607	30.8
97.02399	0.4
97.02893	4.4
97.06498	1.9
97.10185	4.1
99.04427	2.4
99.08091	0.8
102.75177	0.5
103.03935	2.7
103.05447	0.6
103.07552	1.5
105.06323	0.5
105.07033	10.6
106.07326	1.8
107.04949	4.3
107.08589	14.3
109.06487	1.5
109.10161	7.3
111.04431	0.6
111.08083	0.8
115.05412	0.5
117.06999	4.9
117.09084	0.4
119.08592	4.7
121.06510	3.5
121.10146	7.1
123.11730	2.7
125.05972	1.4
127.03885	0.5
129.06995	0.7
131.08528	1.3
131.10579	0.5
133.06464	0.4
133.10159	2.6
135.08061	1.1
135.11691	27.7
137.13242	1.0
139.07481	1.3
139.11151	0.7
141.06984	0.5
143.08540	0.9
145.04881	0.9
145.10127	15.4
151.11012	0.5
155.08466	0.7
163.11183	36.5
164.11464	0.5
173.09650	0.8
181.12227	6.6
184.07300	0.5
201.12895	0.4
209.11749	1.3
227.12784	34.3
228.13092	0.6
239.23682	1.7
253.14418	0.9
257.24756	3.2
283.15405	44.5
284.15707	1.4
313.27365	100.0
314.27539	3.0
365.23276	0.7
417.01831	0.5
457.44324	0.5
489.28738	0.5
521.38391	97.6
522.31622	0.7
522.38708	4.6
583.36584	0.7
863.51282	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5264
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02645	1.1
61.02924	12.0
61.77293	1.0
67.05505	15.3
69.03420	2.6
69.07063	8.9
69.44648	0.8
71.04985	2.2
71.08638	19.7
71.49503	1.1
71.49873	1.1
73.02928	4.5
79.05492	11.3
81.03429	7.2
81.06605	1.2
81.07056	19.4
83.01352	5.4
83.04990	7.5
83.08620	14.5
85.02908	14.7
85.06531	0.9
85.10185	11.8
86.09678	0.8
87.04488	1.0
89.06021	2.1
91.03956	7.1
91.05490	8.5
93.07045	17.3
95.04964	5.1
95.08073	1.6
95.08614	20.4
97.02891	8.8
97.06500	3.6
97.10194	4.7
99.04453	1.7
99.11665	1.0
101.40910	0.9
105.07037	7.8
107.04953	5.1
107.08597	11.1
109.02853	1.2
109.06513	5.4
109.09611	0.8
109.10171	10.0
111.04401	1.2
111.08068	1.8
113.66215	1.0
115.05494	1.1
117.07005	4.3
119.08579	5.0
121.06485	3.5
121.10155	6.2
123.08086	6.1
123.11687	3.2
124.99972	1.6
127.03903	4.4
131.08530	2.2
133.10127	1.5
135.08043	1.5
135.11717	7.4
137.09593	1.1
137.13284	1.9
145.04915	3.4
145.10130	9.9
147.08066	1.5
153.12790	1.6
155.08549	1.7
163.06017	3.8
163.11186	17.7
171.92065	0.9
173.09605	2.2
181.12305	2.3
184.07324	3.1
191.10645	2.2
209.11760	3.7
219.16692	0.9
227.12743	2.6
239.23781	2.8
239.71016	1.3
257.24774	1.4
266.97638	0.9
283.15414	88.3
284.15738	1.9
313.27356	99.0
314.27759	4.3
335.25549	1.0
503.36871	1.4
515.54773	0.9
521.38403	100.0
522.38873	5.4
668.88940	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5261
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	9.8
65.03925	0.5
67.05508	12.3
69.03431	2.2
69.07072	7.6
70.06539	0.8
71.01333	0.6
71.04999	1.9
71.08634	19.6
73.02927	3.2
75.52249	0.2
79.05497	10.3
81.03419	7.1
81.07058	16.7
83.01356	4.7
83.04987	6.1
83.08621	13.3
85.02908	13.7
85.06503	0.9
85.10186	11.3
85.66943	0.3
87.04443	0.7
88.36791	0.3
89.06029	1.8
91.03440	0.4
91.03960	7.9
91.05479	6.8
93.07047	13.5
95.04397	0.3
95.04968	4.2
95.08611	19.2
96.04456	0.4
97.02901	7.2
97.06532	2.4
97.09654	0.4
97.10168	4.6
99.04462	2.1
99.08057	0.7
99.11707	0.8
101.02388	0.5
101.06008	0.4
103.05440	0.7
103.07545	1.0
105.04492	0.4
105.07038	5.5
107.04957	4.6
107.08591	7.6
109.02831	0.7
109.06508	4.1
109.10162	8.0
111.04485	1.5
111.08079	1.5
111.11676	1.1
114.00203	0.3
115.03932	0.6
117.07028	3.6
117.09141	0.4
119.08581	4.9
121.06530	1.9
121.10145	4.2
123.07212	0.5
123.08069	5.7
123.11698	2.7
123.25989	0.3
125.05951	1.0
125.09602	0.8
125.13226	0.5
127.03936	2.9
127.04824	0.5
128.06117	0.4
129.05545	0.3
129.06944	0.6
130.07756	1.1
131.04884	0.3
131.08568	2.0
133.10107	1.1
135.04314	0.5
135.08023	0.9
135.10715	0.5
135.11696	8.6
137.09575	0.7
137.13263	1.4
143.08580	0.6
145.04964	3.4
145.06120	0.5
145.10132	9.8
147.08011	1.2
147.11664	0.5
149.09633	0.4
151.14766	0.6
153.12746	2.1
155.08525	1.0
163.06032	3.4
163.11185	16.1
164.11385	0.4
166.37790	0.3
173.09651	2.4
181.12238	2.9
184.07301	1.0
191.10622	1.4
209.11736	4.0
227.12784	4.2
233.80574	0.3
239.23735	2.5
257.24622	2.2
283.15408	86.2
284.15775	1.9
313.27368	98.7
314.27808	2.4
460.12863	0.3
521.38403	100.0
522.38666	4.6
527.25360	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5201
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	1.6
69.03426	1.5
69.07076	0.7
71.05009	1.0
73.02934	2.6
73.06553	2.0
75.42342	0.5
77.03916	0.8
79.05500	7.6
79.90383	0.5
81.03423	1.4
81.07047	1.5
83.08617	0.8
85.02897	0.9
87.04472	23.6
89.06031	91.2
91.05479	9.5
93.07063	1.3
95.04967	2.4
95.08614	1.1
98.21535	1.1
103.04875	0.5
103.05466	18.6
105.07031	100.0
106.07380	1.0
107.04968	0.6
107.07076	1.8
107.08566	0.6
113.06042	0.5
115.05466	1.0
115.07626	0.6
117.07014	1.0
117.09125	2.1
119.04999	0.8
119.08573	1.3
121.06516	1.1
128.06236	0.8
129.07037	3.3
130.08641	1.9
131.07040	7.4
131.08540	5.6
133.08604	55.0
137.05928	0.6
143.08553	0.8
145.06470	1.5
147.08014	1.1
149.09657	0.8
165.06985	0.6
166.12807	0.5
167.08614	0.7
171.08057	2.3
175.09650	5.5
177.07886	1.3
177.11224	21.9
178.07780	1.0
179.08534	0.8
179.12727	0.5
181.10184	1.1
182.17476	0.6
184.07359	0.8
193.10196	0.9
202.08072	0.6
205.10071	0.7
207.08192	1.1
207.11656	1.1
219.12228	2.3
220.08772	0.9
221.09644	1.7
221.13849	4.1
223.11198	6.7
223.15224	0.5
234.10403	0.9
239.14729	0.7
249.12756	17.9
250.13304	0.6
251.14348	4.0
263.14746	0.8
265.16458	1.6
267.13834	0.8
283.17532	0.7
293.15262	0.7
301.15994	1.5
311.16452	1.0
325.15875	2.5
327.17398	17.7
328.17694	1.1
351.17264	0.7
353.18573	1.3
371.19843	3.3
399.21545	1.1
405.22177	13.1
406.22546	0.6
415.22476	1.0
431.23630	2.2
443.24225	1.2
459.25034	1.5
475.26590	3.8
487.26654	1.2
503.27777	2.2
531.29395	0.9
547.30389	2.2
591.33167	2.5
609.33575	0.8
635.35303	1.6
637.35303	1.8
656.44006	0.9
697.38037	0.8
700.46783	1.9
723.40533	0.8
741.42108	14.3
742.41473	0.9
845.48431	4.4
862.52844	2.5
880.48029	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	878.5255
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	12.8
65.03928	1.8
65.35257	0.8
67.05510	35.2
69.03432	7.6
69.07077	9.6
69.27851	0.9
70.06592	2.0
70.21140	3.2
71.04969	2.3
73.02926	5.4
73.59705	0.9
76.77254	0.9
79.05496	20.8
81.03412	3.8
81.06593	1.8
81.07060	27.7
83.05000	1.8
83.08597	3.1
85.02914	11.4
87.04436	1.2
91.03957	5.5
91.05486	15.7
93.06487	1.6
93.07045	21.0
95.04968	2.8
95.08610	22.4
96.08089	1.1
97.02901	9.9
97.06523	2.3
97.10168	1.1
97.48870	0.9
99.04459	1.4
101.02377	1.5
103.05477	0.8
105.07038	8.5
107.04958	1.2
107.08601	10.7
109.02887	1.1
109.10172	8.7
115.05449	1.8
117.07011	3.5
117.82005	0.9
119.04929	2.7
119.08611	5.1
121.06505	1.5
121.10150	8.3
123.04424	1.6
123.08070	1.4
123.11681	3.0
125.09576	0.9
127.03899	1.7
128.06253	1.0
128.82986	0.9
129.06981	1.6
131.04939	2.7
131.08539	4.4
133.10129	3.7
135.04436	1.1
135.11685	3.6
137.05023	1.1
137.05989	11.3
137.09636	1.6
137.13232	0.8
143.04880	1.0
144.07990	0.9
145.04984	1.1
145.06538	2.1
145.10187	2.2
147.04437	1.4
147.11702	2.0
148.05168	1.6
149.05919	4.9
149.09566	0.9
149.13235	1.9
157.06444	1.0
159.11679	1.5
160.05240	1.3
160.07562	1.8
161.05969	3.0
162.05505	3.8
163.07558	2.2
164.07069	24.8
172.07454	0.9
173.05989	7.0
173.13213	2.0
175.06184	1.3
175.07536	2.5
176.07086	5.8
177.07861	32.2
178.08560	3.8
180.13954	1.3
182.15457	1.5
184.07451	1.3
186.09175	0.9
187.07564	1.9
187.14948	1.0
188.06992	1.1
189.07797	1.5
190.08636	9.9
191.09399	3.3
201.09196	1.2
202.08609	2.1
203.09471	1.5
209.38449	0.8
216.10239	1.3
256.17191	1.1
257.15335	1.4
274.15042	1.5
274.18018	27.4
284.16510	1.1
300.16068	1.4
302.17517	42.3
320.18549	24.6
335.25821	21.5
339.37503	1.1
346.20154	2.2
358.20258	1.2
376.21252	7.8
393.21289	2.6
394.22272	23.1
532.39905	3.5
654.43689	72.1
655.44025	5.2
694.44299	1.0
698.46313	42.0
699.46613	1.4
716.46545	1.4
746.99103	1.2
816.48938	92.2
817.48950	7.3
842.49689	1.4
860.51532	100.0
861.51453	6.5
878.52264	7.1
879.50055	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	878.5258
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02654	1.0
61.02930	14.1
63.37883	0.9
65.03931	3.1
67.05505	36.9
69.03426	7.1
69.07068	9.7
69.49546	5.8
70.06581	1.8
71.01348	1.0
71.04999	1.2
73.02924	7.2
79.05495	24.6
81.03413	5.4
81.07056	34.6
83.04984	1.9
83.08628	4.8
84.04501	1.7
85.02905	11.3
85.06519	1.1
87.04448	0.8
91.03969	6.4
91.05480	22.2
93.07044	27.0
95.04957	2.8
95.08604	26.7
95.09094	0.5
97.02901	9.8
97.06537	2.3
97.10147	2.6
99.04433	1.5
101.02356	1.6
101.95010	0.8
103.05488	1.1
105.04487	0.9
105.07035	9.2
107.04932	0.9
107.08605	12.8
109.02831	1.2
109.06516	2.5
109.10159	9.7
115.05444	1.8
117.07033	4.8
119.04956	5.3
119.05652	0.8
119.08552	6.4
121.06544	0.9
121.10155	9.5
123.04418	3.2
123.08038	1.3
123.11668	2.1
124.78177	0.9
127.03908	2.5
129.07001	2.5
131.04926	3.9
131.08562	4.9
133.06467	1.4
133.10146	4.6
135.11722	5.3
137.05028	1.4
137.05988	17.7
137.13213	0.9
143.04955	1.2
145.06497	2.9
145.10104	2.5
146.06009	0.9
147.04401	1.8
147.07991	1.6
147.11653	1.9
149.05948	7.7
149.09607	2.2
149.13257	1.8
157.06479	1.6
159.11670	1.8
160.07625	1.6
161.05977	4.8
161.13225	0.9
162.05481	5.4
162.06711	1.6
163.06300	1.3
163.07500	1.8
163.14758	1.3
164.05688	1.9
164.07057	29.9
169.06453	1.4
171.08046	1.0
172.07614	2.2
173.05995	9.0
173.13272	1.1
175.06218	2.1
175.07574	3.6
176.07053	6.9
177.07855	44.7
178.08638	3.8
180.13831	2.5
182.15378	1.6
183.08054	1.1
183.11571	1.2
187.07532	3.5
188.06989	1.0
189.07709	1.3
189.09212	1.5
190.08669	13.1
191.09425	6.0
193.12178	1.1
197.09724	1.0
199.07648	1.4
201.09175	0.9
202.08638	3.9
203.09409	1.6
208.09692	1.2
210.14952	1.4
248.29861	0.8
254.17610	1.2
256.16650	0.8
257.15347	1.8
274.18024	39.0
284.16324	1.1
300.16046	1.4
302.17505	59.6
303.17883	1.8
306.26254	0.9
318.16998	1.1
320.18570	40.6
321.18652	1.1
328.19156	1.2
332.18646	1.4
335.25824	19.8
346.20160	6.6
358.20078	1.7
376.21222	12.9
393.21411	2.0
394.22232	25.4
395.22424	1.0
420.23651	1.8
464.22989	1.0
464.40189	0.9
527.69897	0.8
532.40143	4.5
654.43646	84.1
655.44226	4.6
696.45013	1.3
697.45648	1.0
698.46228	59.9
699.46338	2.3
716.46545	3.4
758.76892	1.0
816.48877	100.0
817.49371	5.7
842.49066	2.7
860.51477	99.6
861.52271	7.0
878.52417	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	875.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	1.3
69.07060	0.9
70.99129	1.3
79.05499	3.6
79.16703	0.6
81.03418	1.0
81.07051	1.4
83.04978	0.5
85.02903	0.7
86.16129	0.5
91.05485	2.5
93.07076	1.4
93.74697	0.5
95.04972	0.6
95.08609	1.5
105.07069	0.7
106.06564	1.0
107.08582	0.7
117.07023	0.9
118.06533	0.7
119.08618	0.6
120.08112	0.9
129.83421	0.5
134.06036	7.8
135.11781	0.5
146.06023	0.9
152.07089	1.0
163.03957	0.6
172.03917	1.4
184.07513	0.8
187.08659	1.4
191.03412	1.0
195.09180	0.6
198.20282	0.5
204.06636	2.2
209.10617	0.6
210.09108	0.7
211.08592	1.1
221.10796	0.9
223.05984	0.9
223.08640	1.7
225.10252	1.8
225.13771	0.8
233.10838	0.6
235.08708	2.0
236.09438	0.9
237.10208	2.3
238.08813	1.0
238.10982	0.7
247.08687	1.1
248.09503	0.7
249.10246	5.5
250.11124	1.3
251.08099	3.6
251.11815	1.7
252.06473	0.9
252.10231	0.7
253.13522	0.7
253.42854	0.6
263.08203	1.7
263.11682	0.8
265.09772	2.0
266.08118	1.6
268.09741	0.7
270.11227	0.8
275.08209	1.1
277.09760	4.1
278.06863	0.9
278.10336	0.8
279.11307	1.3
280.09625	1.0
282.11166	1.3
293.09183	1.1
295.10590	1.3
297.12415	1.3
299.14392	0.8
305.09235	1.9
307.10779	0.6
308.09131	1.0
309.12228	1.2
310.10736	1.3
311.14102	1.1
312.11594	1.2
313.12234	1.2
314.12888	2.6
324.11536	1.0
325.12067	2.3
326.12854	2.5
327.10181	1.0
327.13785	1.1
328.11133	1.0
328.14563	1.8
330.12573	0.7
330.16153	0.7
335.25900	0.6
337.11841	7.4
338.12943	0.9
339.13721	1.0
340.11072	2.3
340.14511	1.8
341.11703	1.2
342.12817	2.3
352.14691	0.9
353.11456	1.0
354.12335	2.3
354.16232	0.9
355.13211	1.4
356.13968	1.8
356.17914	0.9
358.15530	0.8
365.11627	0.7
366.12521	1.7
367.13116	1.4
368.13901	1.7
370.15750	0.8
372.13654	0.6
382.11664	0.9
384.13217	0.8
395.12402	0.8
396.17520	0.6
400.12170	0.9
400.17081	1.3
414.14297	1.5
426.14404	4.2
428.15759	1.2
442.17746	1.0
444.19128	2.3
446.14938	0.7
449.19467	1.2
454.16785	0.7
460.18872	0.9
472.17874	0.9
475.21399	1.2
486.16599	3.8
516.37219	0.8
535.23212	2.1
550.19373	0.9
551.19183	0.7
558.16724	0.7
561.24713	1.7
562.19348	1.0
576.20813	0.9
578.19556	1.0
590.19250	0.9
595.25671	0.9
596.26331	1.0
621.27368	3.6
622.27649	2.0
632.19446	1.1
634.17487	0.8
636.23260	1.3
638.24854	0.8
664.22449	2.4
666.24628	1.1
692.22260	3.6
694.19812	1.1
696.25128	1.5
698.27252	4.4
724.25043	19.1
725.24829	1.3
736.21478	1.0
742.25238	0.8
768.23999	2.9
771.29694	2.2
799.29803	8.9
818.04431	0.6
831.32422	100.0
832.32568	8.3
843.27740	1.3
875.31683	19.3
875.49231	3.1
876.31061	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	1.3
69.07060	0.9
70.99129	1.3
79.05499	3.6
79.16703	0.6
81.03418	1.0
81.07051	1.4
83.04978	0.5
85.02903	0.7
86.16129	0.5
91.05485	2.5
93.07076	1.4
93.74697	0.5
95.04972	0.6
95.08609	1.5
105.07069	0.7
106.06564	1.0
107.08582	0.7
117.07023	0.9
118.06533	0.7
119.08618	0.6
120.08112	0.9
129.83421	0.5
134.06036	7.8
135.11781	0.5
146.06023	0.9
152.07089	1.0
163.03957	0.6
172.03917	1.4
184.07513	0.8
187.08659	1.4
191.03412	1.0
195.09180	0.6
198.20282	0.5
204.06636	2.2
209.10617	0.6
210.09108	0.7
211.08592	1.1
221.10796	0.9
223.05984	0.9
223.08640	1.7
225.10252	1.8
225.13771	0.8
233.10838	0.6
235.08708	2.0
236.09438	0.9
237.10208	2.3
238.08813	1.0
238.10982	0.7
247.08687	1.1
248.09503	0.7
249.10246	5.5
250.11124	1.3
251.08099	3.6
251.11815	1.7
252.06473	0.9
252.10231	0.7
253.13522	0.7
253.42854	0.6
263.08203	1.7
263.11682	0.8
265.09772	2.0
266.08118	1.6
268.09741	0.7
270.11227	0.8
275.08209	1.1
277.09760	4.1
278.06863	0.9
278.10336	0.8
279.11307	1.3
280.09625	1.0
282.11166	1.3
293.09183	1.1
295.10590	1.3
297.12415	1.3
299.14392	0.8
305.09235	1.9
307.10779	0.6
308.09131	1.0
309.12228	1.2
310.10736	1.3
311.14102	1.1
312.11594	1.2
313.12234	1.2
314.12888	2.6
324.11536	1.0
325.12067	2.3
326.12854	2.5
327.10181	1.0
327.13785	1.1
328.11133	1.0
328.14563	1.8
330.12573	0.7
330.16153	0.7
335.25900	0.6
337.11841	7.4
338.12943	0.9
339.13721	1.0
340.11072	2.3
340.14511	1.8
341.11703	1.2
342.12817	2.3
352.14691	0.9
353.11456	1.0
354.12335	2.3
354.16232	0.9
355.13211	1.4
356.13968	1.8
356.17914	0.9
358.15530	0.8
365.11627	0.7
366.12521	1.7
367.13116	1.4
368.13901	1.7
370.15750	0.8
372.13654	0.6
382.11664	0.9
384.13217	0.8
395.12402	0.8
396.17520	0.6
400.12170	0.9
400.17081	1.3
414.14297	1.5
426.14404	4.2
428.15759	1.2
442.17746	1.0
444.19128	2.3
446.14938	0.7
449.19467	1.2
454.16785	0.7
460.18872	0.9
472.17874	0.9
475.21399	1.2
486.16599	3.8
516.37219	0.8
535.23212	2.1
550.19373	0.9
551.19183	0.7
558.16724	0.7
561.24713	1.7
562.19348	1.0
576.20813	0.9
578.19556	1.0
590.19250	0.9
595.25671	0.9
596.26331	1.0
621.27368	3.6
622.27649	2.0
632.19446	1.1
634.17487	0.8
636.23260	1.3
638.24854	0.8
664.22449	2.4
666.24628	1.1
692.22260	3.6
694.19812	1.1
696.25128	1.5
698.27252	4.4
724.25043	19.1
725.24829	1.3
736.21478	1.0
742.25238	0.8
768.23999	2.9
771.29694	2.2
799.29803	8.9
818.04431	0.6
831.32422	100.0
832.32568	8.3
843.27740	1.3
875.31683	19.3
875.49231	3.1
876.31061	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.3146
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05525	1.0
69.92778	3.1
69.93122	1.1
79.05496	4.1
81.03377	0.7
81.07060	1.5
81.90480	0.7
83.79453	0.7
91.05489	1.2
93.07051	0.7
95.04993	1.0
95.08585	0.8
106.06552	1.3
119.08612	1.2
120.08083	1.0
134.06004	8.4
143.51688	0.7
152.07063	1.4
163.03946	0.8
172.03984	1.3
184.07457	1.2
187.08746	0.7
204.06677	2.2
209.10800	0.8
210.09268	0.8
223.06262	1.1
223.08672	1.2
223.12248	1.0
225.10341	1.3
229.81203	0.7
235.08728	2.3
236.09496	0.8
237.10339	3.1
238.08687	0.8
239.08368	1.0
239.11688	0.8
247.08701	1.1
249.10248	5.0
250.10979	1.7
251.08253	2.9
251.11873	1.5
261.10312	0.8
263.08209	1.4
265.09793	1.6
266.08130	1.0
268.09662	1.1
275.08200	1.0
276.08917	0.8
277.09738	5.2
279.11279	1.3
280.09662	1.0
303.07669	1.0
305.09262	2.3
307.10687	1.1
308.09052	0.8
309.12460	1.3
312.11307	1.7
313.12323	0.9
314.13104	1.8
323.10379	1.1
324.11334	0.9
325.12210	1.3
326.12946	2.2
327.13782	1.1
328.14529	1.5
329.12418	0.9
337.11951	7.6
338.12967	1.8
339.13657	1.2
340.11111	2.4
340.14752	1.3
341.11816	1.1
342.13007	2.0
353.11563	0.9
355.13550	1.2
356.14050	1.3
358.15448	1.4
366.12555	1.3
367.13248	1.1
368.14175	1.8
369.14642	1.0
380.14322	0.9
382.11734	1.4
385.14386	1.0
386.15128	1.0
389.17953	0.8
395.12695	1.4
398.14743	1.6
400.16974	1.2
413.13770	1.1
414.14139	1.4
426.14423	3.9
428.16016	1.9
429.17206	0.8
442.17368	1.3
444.19278	1.7
470.90912	0.8
475.21274	1.2
486.16785	2.5
502.18979	1.0
518.17371	0.9
535.23773	1.9
561.25189	1.5
604.21094	1.3
621.27448	4.1
622.28009	2.1
632.20557	0.9
636.23267	1.5
637.20154	0.9
664.22803	2.3
666.24939	1.5
692.22638	2.9
696.25323	0.9
698.26740	4.1
724.24982	15.3
725.25146	1.5
736.20941	1.0
768.24335	2.8
771.30414	1.2
799.30017	8.2
831.32336	100.0
832.32416	8.6
843.28644	1.0
875.31262	20.5
875.50586	10.2
876.32465	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.313
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	2.4
71.49870	1.9
73.27515	1.3
79.05495	3.9
80.09673	1.1
81.07072	2.2
84.88141	1.2
91.05494	2.0
93.07073	1.1
95.04947	1.3
95.08591	1.3
105.07006	3.1
120.08098	1.3
134.06029	8.8
152.30405	1.2
172.03960	1.6
184.07352	1.6
187.08614	1.4
191.03609	1.3
197.10809	1.7
204.06541	1.9
225.10190	3.2
235.08691	1.8
237.10234	5.0
238.08600	1.9
238.10892	1.8
247.08585	1.6
249.10300	4.6
250.10980	2.7
251.08159	3.8
251.11795	2.4
253.09784	1.7
254.12012	1.4
265.09711	3.1
266.08139	2.0
277.09842	5.7
278.10706	1.6
287.20117	1.3
291.07706	1.5
293.09055	1.3
305.09351	1.8
308.09265	1.9
311.13809	1.4
314.13043	2.9
315.13812	1.6
325.11923	3.8
326.12839	2.1
328.14655	1.5
337.11786	9.8
338.13019	2.1
340.11154	2.6
340.14856	1.7
342.12750	3.5
354.12689	1.9
355.13181	1.4
356.14047	1.9
356.17700	1.9
358.15738	1.4
363.10104	1.3
366.12033	1.5
368.14090	2.1
414.14328	2.0
426.14096	6.0
428.15988	2.6
444.19473	2.2
447.17416	1.5
461.35349	1.3
475.21204	1.5
486.16730	5.0
489.19360	1.5
535.23810	2.3
561.24371	1.9
596.26489	1.7
621.26727	5.0
636.23639	1.8
664.22650	3.3
666.24597	2.3
692.22229	4.5
698.26849	5.1
724.24988	29.3
725.24799	2.4
768.23602	4.7
771.29333	1.5
799.29700	9.9
831.32361	100.0
832.33142	8.3
843.28760	1.5
875.31451	20.4
875.47430	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	874.4798
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	13.2
65.03944	3.1
67.05508	48.6
69.03433	4.4
69.07069	10.0
69.30425	1.1
69.37463	1.1
69.56519	2.9
69.56934	4.1
71.01348	1.2
71.04998	5.2
71.08639	1.8
73.02921	4.7
77.03896	1.1
79.05495	55.6
81.03412	12.3
81.07057	44.3
83.01347	6.6
83.04987	9.6
83.08615	12.4
85.02904	21.6
85.06551	2.4
86.09713	2.2
89.06030	1.5
91.03955	12.6
91.05484	27.9
91.06021	2.0
93.07048	60.9
95.04959	9.1
95.08612	26.9
97.02896	13.5
97.06526	6.2
97.10191	4.4
98.20811	2.0
99.04478	2.6
99.08106	2.9
105.04491	2.0
105.07035	17.4
107.04972	4.8
107.08601	26.1
109.06516	8.9
109.10164	10.4
111.04462	2.4
111.08092	3.8
113.09655	1.2
115.05485	1.6
117.07022	10.1
119.08585	17.4
121.06516	4.1
121.10151	29.0
123.08067	7.4
123.11726	6.7
125.06012	1.8
125.09663	3.5
127.03928	4.0
129.07018	2.3
130.07846	1.4
131.05006	1.2
131.08557	14.5
131.23936	1.0
133.10144	11.2
135.08087	3.4
135.11705	29.5
137.05997	2.0
137.09634	3.3
143.08572	3.4
145.05008	5.2
145.06483	2.0
145.10129	22.9
147.08099	2.1
147.11658	7.5
149.09602	3.2
149.13272	9.2
153.09189	1.3
153.12764	2.1
155.08589	1.8
157.10155	2.7
159.11728	8.6
161.13321	2.6
163.03925	1.5
163.06000	5.1
163.11194	19.3
169.10104	1.4
171.11682	1.9
173.09636	2.9
173.13287	7.8
175.14709	1.9
181.12267	2.5
184.07312	1.4
185.13232	1.6
187.14818	3.0
189.11302	2.7
191.10716	3.2
200.37027	1.2
203.52783	1.2
205.19582	2.4
209.11761	5.0
213.16466	1.7
215.17966	23.5
227.12784	8.5
227.20018	2.0
231.17722	2.0
233.19026	25.1
271.20596	3.6
283.15408	100.0
284.15747	2.5
289.21506	2.7
305.21069	1.8
307.22690	83.1
308.22989	2.4
352.63159	1.1
405.28003	1.9
423.28992	4.0
497.32452	6.4
515.33722	74.6
516.33826	2.7
533.34241	3.8
648.44525	2.9
712.46069	2.5
874.51141	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	1.0
65.33344	0.4
69.03427	2.0
69.07059	1.4
69.21080	2.4
69.21488	1.4
71.04996	3.3
74.71670	0.4
79.05472	0.9
80.38065	0.4
80.45892	0.4
81.03400	0.4
83.04981	0.5
85.02901	5.8
85.03382	0.5
90.26788	0.4
91.05486	6.4
92.05820	0.9
97.02889	4.9
97.06525	4.9
98.20820	0.9
103.05379	0.4
105.07024	0.4
107.04947	2.1
115.03934	1.2
115.05505	0.4
119.04946	16.6
120.05263	0.7
121.02868	0.6
121.06559	0.5
127.03934	0.5
129.05489	1.2
131.04961	0.9
137.05981	15.3
138.06303	2.4
145.06447	1.2
147.04413	100.0
148.04704	1.3
149.05977	0.9
157.06520	1.2
161.05946	0.6
169.06500	0.5
173.06024	0.9
174.44975	0.4
175.07559	0.7
176.08020	0.5
201.05479	10.8
213.05542	0.5
215.07008	0.5
233.11723	8.3
233.14079	0.5
234.12096	2.8
243.06589	0.5
250.14386	7.0
251.14763	2.1
252.13419	0.4
261.07599	31.3
262.07910	0.7
279.08643	15.4
287.05511	28.1
288.06049	0.6
296.09842	0.5
298.54730	0.4
311.12668	0.9
312.13034	0.7
329.06485	0.5
397.17612	0.6
404.25491	0.4
409.19223	0.4
846.40387	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	874.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	6.0
65.03940	2.4
67.05496	2.3
68.99789	2.6
69.03438	27.5
69.76150	10.9
71.05003	3.8
73.02908	4.1
79.05479	5.9
81.03421	22.0
81.07068	2.6
81.82847	2.0
85.02908	48.5
87.00839	29.3
88.64421	2.0
91.05462	13.4
94.04187	3.5
95.04980	3.7
95.08630	2.6
97.02893	27.5
97.06534	24.3
99.04448	8.3
103.05476	3.8
105.01868	14.7
105.07016	2.2
107.04971	5.4
109.02893	24.7
111.04404	2.6
115.03956	3.0
115.05411	2.7
117.06960	2.1
119.04928	9.4
121.06495	2.6
127.03924	40.1
129.01834	2.2
129.07047	4.3
131.04903	8.1
135.04462	3.1
137.05981	95.0
138.09157	2.9
145.04973	11.3
147.04414	3.7
149.05981	5.9
151.03920	4.0
151.07565	47.4
157.06503	6.2
159.02846	6.3
161.05989	12.9
161.10745	3.0
163.07565	22.7
165.09120	2.7
167.08551	4.8
174.06779	3.2
175.07539	13.3
177.09128	18.3
189.09077	17.1
193.08441	2.5
195.08051	12.4
195.09996	4.8
197.05994	2.5
203.06976	3.6
207.10156	3.0
209.08060	3.0
213.03879	4.0
213.09081	3.7
219.04947	2.7
219.10101	4.1
221.05977	3.3
221.09671	5.8
221.11757	7.4
223.07542	3.3
223.38371	2.3
225.09129	3.0
227.07057	3.1
227.10645	14.8
231.04958	12.5
233.09779	3.4
233.11763	16.3
237.09158	2.7
239.10841	3.3
249.06123	3.4
249.11275	7.0
250.14413	27.2
253.08618	7.8
253.12225	7.3
255.10144	12.5
261.11279	4.0
265.08582	5.8
267.09979	2.5
273.06171	5.3
279.10297	4.4
281.11783	2.5
285.11243	9.6
287.12769	18.6
291.12531	3.3
293.11664	5.1
297.11203	4.6
299.12720	8.3
309.11060	3.7
311.12695	9.0
313.14395	14.9
316.77176	2.2
321.11154	2.8
325.14182	3.4
331.15448	100.0
332.15613	3.8
335.12897	3.0
343.15445	38.3
353.13907	3.9
355.15408	11.6
357.08200	2.4
367.15384	5.1
383.14813	2.9
385.15656	2.6
397.16272	6.1
403.15128	4.1
421.16476	14.3
439.17438	7.2
452.25247	2.2
461.09161	2.8
525.17285	8.6
543.18665	11.8
561.19354	9.0
610.74860	2.5
682.06372	2.7
859.39667	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.282
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	1.4
66.04714	0.7
67.86034	0.4
68.99772	0.9
69.03083	0.7
69.03434	8.9
69.17027	0.4
69.50910	2.4
71.04984	0.9
73.02916	1.1
79.05492	1.4
81.02986	0.8
81.03425	8.8
81.07038	1.0
85.02907	17.8
87.00829	7.1
91.03970	0.5
91.05492	3.3
94.04192	2.4
97.02898	7.9
97.06538	0.9
99.04450	3.1
103.05477	1.4
105.01871	4.6
105.07041	4.6
107.04958	1.0
109.02888	8.2
109.06521	1.5
115.03954	1.0
115.05448	2.6
117.01862	0.8
117.07046	1.3
119.04967	0.5
119.08607	1.1
120.75055	0.4
121.06470	0.9
122.03654	6.9
127.03931	15.0
128.06227	1.4
129.01891	1.0
129.07027	2.5
131.04916	1.9
132.05721	1.4
133.02794	0.5
133.06505	4.2
137.05984	100.0
138.06306	1.2
141.06996	0.7
143.04953	1.3
144.05664	0.7
145.04955	5.6
145.06110	0.5
145.06522	0.4
145.61411	0.5
145.62746	0.4
146.03622	1.0
147.02911	0.8
147.04393	1.2
147.08070	2.7
149.05995	2.8
150.00171	0.4
151.03915	1.0
151.07535	2.3
155.04915	1.5
156.05669	0.5
157.06491	0.7
159.02921	3.7
159.08083	3.0
160.05193	2.0
161.05986	13.3
163.03935	0.6
163.07541	1.7
165.07008	0.9
169.06514	1.2
172.05235	1.5
173.05994	0.6
175.07559	28.4
179.07057	2.1
181.06577	0.8
185.05971	0.6
187.07559	11.9
189.03938	0.8
189.05539	0.8
189.07101	0.9
189.09096	2.1
190.07787	2.6
191.07014	0.9
191.08554	10.1
199.07568	5.5
202.07831	1.0
203.07095	0.7
203.08595	3.3
205.08617	1.4
208.08861	1.1
213.03893	1.1
217.08621	1.6
218.07234	3.1
219.08060	15.9
220.08835	2.7
225.09108	0.6
229.08653	2.7
231.05067	3.9
231.07954	3.9
232.08791	1.0
233.09709	0.9
233.11745	1.0
235.07570	1.1
235.09709	1.6
236.08360	3.0
237.09212	0.6
241.08594	0.8
243.08174	0.7
247.07574	7.3
248.08260	3.3
249.06065	0.6
249.09113	1.0
250.09908	0.5
250.14337	0.7
251.10701	25.1
252.10994	0.9
253.08401	0.7
259.07642	2.6
260.08386	1.9
261.09183	1.6
263.07327	0.7
263.10678	3.3
264.07877	2.0
265.08606	2.4
267.10083	0.5
268.10876	0.6
272.08203	0.5
276.07968	1.6
277.08511	1.6
279.07098	1.0
279.10184	15.5
280.10855	1.7
281.08081	1.3
281.11545	0.6
283.09717	0.8
286.14716	0.5
289.08646	1.0
291.10159	8.7
292.10818	1.2
293.08267	0.5
293.11771	0.7
295.09705	1.2
295.13141	0.6
296.10443	2.1
297.11285	1.3
303.10226	1.9
308.10428	1.0
309.11224	1.9
311.12796	57.6
312.13190	2.1
313.14380	1.2
315.10242	0.7
315.32648	0.5
317.11673	0.7
321.11301	2.6
322.99869	0.5
323.12802	24.7
324.13123	1.3
325.14417	1.6
333.11166	2.6
335.12750	6.1
337.14194	0.8
341.13950	6.7
345.11163	0.7
347.12781	1.8
353.13849	6.2
359.12747	0.8
365.13815	2.1
373.14496	0.6
377.13818	2.2
401.13904	4.1
419.15088	2.2
437.16013	0.8
474.19958	0.5
505.14722	1.2
523.15936	4.3
541.17206	4.1
559.18152	5.9
583.81799	0.5
589.19202	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
63.47461	1.7
67.05170	2.5
67.05506	19.8
69.07066	6.0
70.95879	6.7
71.08648	9.8
71.48916	2.2
71.93012	2.1
72.93795	17.4
74.95355	2.2
79.05507	8.5
81.03409	6.1
81.07062	18.3
82.95864	2.0
83.08623	6.2
85.10168	6.4
88.96892	2.2
90.94846	10.6
91.05467	6.1
93.07048	8.6
95.04995	1.8
95.08605	14.4
97.10156	2.8
102.94828	3.8
103.03976	1.6
104.96400	2.5
105.07031	5.1
107.08591	3.4
109.10165	5.2
113.96403	3.0
116.96375	5.9
118.94329	2.4
119.08587	3.6
120.95842	1.4
121.10163	2.4
123.11772	2.2
126.98429	5.4
127.99190	1.5
128.96355	6.0
130.97928	3.6
132.95850	24.1
133.10185	1.6
134.97475	2.0
135.11696	2.4
140.96295	3.2
142.97891	2.6
144.95831	12.0
144.99438	3.4
146.97382	11.0
148.98972	1.8
150.96899	8.3
154.94196	2.2
155.97426	2.1
156.95853	5.8
158.97420	13.5
162.96913	5.8
164.98480	40.4
164.99869	1.6
165.97107	2.3
170.97401	9.4
172.95255	1.7
172.99063	2.6
174.96895	3.5
176.98518	5.6
178.97894	3.5
181.99097	2.6
182.97433	5.7
184.98990	2.9
186.96846	1.7
187.05150	1.4
188.00005	2.3
188.98483	7.8
191.00113	1.4
196.92067	2.4
196.98959	3.5
198.96899	53.3
198.98764	2.6
200.98506	6.5
201.03656	1.8
201.99251	1.9
203.00102	3.7
203.05200	1.5
204.97906	1.7
206.99478	8.1
213.03682	2.7
214.93051	7.1
215.00055	2.9
216.97922	8.4
218.99535	4.8
224.98488	2.4
227.05208	2.1
229.06773	1.7
230.99580	9.4
232.52982	1.5
233.01033	14.0
239.23643	1.4
239.99536	2.0
240.94794	1.4
241.05208	2.0
242.99660	1.9
244.91907	1.5
244.94183	1.8
252.94839	2.1
254.99513	2.9
262.93094	28.5
270.95740	7.6
273.00626	5.0
278.09531	1.4
279.08295	2.2
280.94183	18.0
281.09863	3.7
283.11398	2.4
285.94696	2.2
294.95737	2.0
298.95230	30.9
298.98532	1.1
305.11856	1.6
309.15173	2.5
309.60632	1.5
311.16708	2.4
312.96747	5.6
313.27393	60.6
314.27832	1.3
316.96344	2.2
318.95969	2.2
321.96750	4.3
327.16113	2.5
329.12036	6.9
329.17737	11.0
331.13553	11.3
332.15479	1.9
333.15112	100.0
334.15424	2.3
335.25848	31.8
336.96783	10.5
347.18793	4.6
354.97787	14.3
372.98917	38.1
385.20248	4.4
389.17673	1.7
396.00177	2.1
407.18744	18.1
414.01370	3.3
449.19885	3.7
510.00150	1.4
517.22571	1.5
573.49170	7.0
593.20850	13.4
597.18170	1.6
611.21832	60.8
612.21545	3.1
615.09497	2.0
615.19257	37.2
616.19293	1.7
633.20337	47.6
652.24017	4.6
871.44757	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	864.5245
Annotation	Unknow
Peak:m/z	Relative Intensity
65.98949	0.2
67.05503	0.4
69.03416	0.2
69.07060	0.2
69.46233	0.9
69.46637	0.2
71.08625	0.2
71.21485	0.1
73.02888	0.3
73.06551	0.9
77.03929	0.6
79.05492	5.9
80.27209	0.2
81.03423	0.4
81.07054	0.3
87.04472	6.2
89.06031	32.2
90.06338	0.4
91.04917	0.2
91.05482	3.0
93.07058	0.9
95.04976	1.3
95.08593	0.3
99.08076	0.2
103.05473	5.3
105.07033	100.0
106.07375	1.1
107.04980	0.3
107.07067	0.6
116.06253	0.3
117.07025	0.6
117.09162	0.7
119.04963	0.4
119.08575	0.9
121.06512	4.3
121.10099	0.3
129.07030	1.3
130.08606	0.4
131.07091	1.5
131.08577	5.4
133.08606	21.2
133.10191	0.7
134.08899	0.2
135.08109	0.4
140.05006	0.2
143.08600	0.3
145.06462	0.3
147.08034	2.6
148.85616	0.1
149.09628	0.8
151.11128	0.2
163.11162	0.2
165.06966	0.4
165.09105	0.7
166.07822	0.4
169.10117	0.3
173.09612	0.4
175.09741	1.4
175.11134	0.3
177.11227	8.4
178.07719	0.3
179.08609	0.2
181.10098	0.6
184.07385	0.3
191.10706	0.2
193.12263	0.4
207.11722	0.3
209.11642	0.4
209.13344	0.3
211.13353	0.2
219.12239	0.4
221.13792	1.6
223.11156	0.9
225.12747	6.0
227.12892	0.2
235.14961	0.3
239.14780	0.2
249.12822	0.4
251.14330	8.8
252.14691	0.4
253.15956	2.3
255.15898	0.3
265.16428	0.5
267.13840	0.3
269.15326	2.5
269.17838	0.2
269.85782	0.2
271.15451	0.2
283.17365	0.5
295.16827	0.6
309.19049	0.4
311.16290	0.4
313.18011	1.3
315.18088	0.3
327.17316	1.5
327.19846	0.1
329.19000	7.1
353.18658	0.4
355.20740	0.3
357.20428	0.4
371.19955	0.3
373.21625	3.9
401.23480	0.2
417.24197	0.3
419.23920	0.2
463.26764	0.3
477.22125	0.2
477.28027	2.3
507.29364	0.2
535.31073	0.4
545.91211	0.2
551.31671	0.3
569.38098	0.3
595.34143	0.3
639.37329	1.9
723.11401	0.2
743.43463	0.8
864.51544	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	864.5253
Annotation	Unknow
Peak:m/z	Relative Intensity
69.46103	0.7
69.46528	0.8
69.89754	0.2
71.33250	0.2
73.02938	0.4
73.06556	0.9
77.03947	0.7
79.05499	5.7
79.05968	0.3
81.07060	0.3
82.03226	0.2
87.03944	0.3
87.04474	5.8
87.04981	0.4
88.07628	0.2
89.06036	32.4
90.06364	0.2
91.05484	2.7
93.07061	0.7
95.04967	1.7
103.05470	5.2
105.07037	100.0
106.07367	0.9
107.07084	0.3
108.68509	0.2
109.10187	0.3
115.05402	0.3
116.06245	0.3
117.06998	0.3
117.09133	0.9
119.04931	0.3
119.08600	0.6
121.06522	3.6
129.07022	0.9
130.08647	0.5
131.07076	2.5
131.08575	5.2
131.29922	0.2
133.08614	23.3
133.10211	0.6
143.08560	0.2
147.08055	2.2
149.09615	0.6
153.78668	0.2
165.07002	0.3
165.09122	0.8
166.07745	0.5
175.09691	1.0
175.11078	0.3
177.11240	8.8
178.11609	0.3
179.08521	0.3
181.10188	0.4
191.10648	0.3
207.08446	0.2
207.11710	0.3
209.11626	0.3
209.13368	0.3
211.13287	0.3
219.12277	0.4
221.13905	1.9
223.11119	1.0
223.15338	0.2
225.12756	6.2
227.12729	0.4
239.14554	0.2
249.12680	0.4
251.14319	8.1
253.16052	1.8
265.16403	0.7
267.13742	0.2
269.15405	2.7
271.15439	0.3
279.16156	0.3
283.17609	0.5
295.16891	0.6
309.19141	0.4
311.16418	0.6
313.18048	1.2
327.17374	1.4
329.18988	7.3
330.19223	0.3
353.18634	0.3
355.20343	0.3
357.20523	0.3
359.20499	0.2
371.19809	0.4
373.21646	4.3
374.22281	0.2
401.23074	0.3
419.24118	0.4
445.25510	0.3
447.25720	0.3
463.26910	0.3
477.28003	2.9
507.29272	0.4
535.30634	0.3
551.31818	0.4
595.34357	0.4
639.29315	0.2
639.37439	2.1
640.38025	0.2
743.43036	1.0
847.50537	0.3
864.51184	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	864.4741
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	13.1
65.03944	2.8
67.05506	34.2
69.03424	9.5
69.07071	21.0
71.05003	3.4
73.02934	5.2
77.03936	1.4
79.05498	40.9
81.03420	55.3
81.07056	32.9
81.07524	1.6
83.04990	7.8
83.08625	7.3
85.02908	15.3
87.85656	1.1
88.82983	1.2
91.03971	4.7
91.05485	64.5
93.07045	33.3
95.04979	14.4
95.08610	17.9
97.02895	10.8
97.06541	9.7
97.10206	3.1
99.04478	2.6
99.08122	3.3
103.05509	2.9
103.25165	1.4
105.01867	1.3
105.07027	21.4
105.07663	1.2
107.04973	10.3
107.08598	17.8
109.02921	2.1
109.06558	5.2
109.10140	6.4
111.08112	3.4
115.05521	3.2
115.07600	1.5
116.47473	1.1
117.07021	11.6
117.09118	15.6
119.04945	10.6
119.08588	25.6
119.09374	1.9
120.08079	1.2
121.06518	10.7
121.10135	9.9
123.04449	7.3
123.08116	3.9
123.10892	1.3
123.11727	2.7
125.09651	2.3
127.03957	4.1
128.06284	3.6
129.07011	10.4
131.04947	2.1
131.08592	13.4
133.06496	6.4
133.10115	8.2
135.04381	7.9
135.08064	6.0
135.11760	3.6
136.06203	1.4
137.05984	62.7
137.09605	10.9
141.07059	1.6
143.04971	1.7
143.07051	1.7
143.08629	3.7
145.05136	1.7
145.06534	5.9
145.10179	5.1
147.04424	14.6
147.08047	9.3
147.11726	6.7
149.05994	11.2
149.09616	11.6
149.10602	1.2
150.05524	1.5
151.11200	2.4
152.07066	1.5
153.07133	1.5
154.08679	2.5
155.08568	1.9
157.06569	4.3
157.10208	4.2
159.08145	4.7
159.11749	4.1
160.05226	1.4
161.05997	16.0
161.09686	1.3
163.07523	5.9
163.11327	2.4
164.07137	2.3
165.05511	2.1
165.09152	9.0
165.12793	1.1
167.08588	2.3
169.06625	1.3
169.10213	1.2
172.05254	1.2
173.06024	12.8
173.09732	1.5
173.11917	1.2
173.13341	1.6
175.07585	7.1
175.11299	4.2
175.13312	8.5
175.14677	1.0
179.08661	1.7
181.06476	1.8
183.08133	2.5
183.10211	4.4
185.06050	1.5
185.09702	2.4
187.07547	9.0
187.11238	1.7
189.05591	2.4
189.09166	4.5
191.07045	2.4
193.12329	4.3
195.08147	2.3
197.09656	1.5
199.07643	3.6
201.09200	4.7
207.11801	1.6
209.09833	1.5
211.11220	1.8
211.13316	2.2
213.09262	3.7
215.10774	2.8
227.10738	1.5
229.12341	3.0
233.17589	3.6
235.11229	1.6
237.12819	1.4
239.10658	1.7
251.10768	1.6
255.13724	1.5
257.11795	8.1
257.15442	6.1
265.12332	1.5
267.13873	1.8
274.14651	2.1
275.12915	4.3
283.13370	3.4
285.14944	3.8
301.14398	8.4
302.17538	6.4
311.16580	3.1
318.17007	7.0
319.15561	3.8
321.20615	2.2
328.18918	1.4
329.17435	6.6
346.20044	6.9
347.18497	3.1
348.18030	1.8
349.23709	1.6
374.19870	2.7
392.20648	8.4
410.21924	1.9
420.23914	4.0
438.25067	1.8
450.20731	1.6
451.20670	2.4
470.25067	1.5
488.26590	1.4
544.28827	2.1
547.89594	1.2
572.32458	4.7
586.33752	12.6
588.35352	2.6
590.33429	5.1
604.34918	14.1
626.36639	1.4
640.38696	1.9
642.74054	1.6
649.37268	1.5
656.41455	1.8
666.40045	12.3
667.40393	1.6
684.41058	100.0
685.41650	6.9
702.42065	49.3
703.42792	2.9
726.41571	2.0
734.37665	4.1
748.38788	5.3
752.37567	2.0
766.39923	3.0
792.43768	1.9
810.43665	5.6
828.45386	11.3
846.46301	43.2
847.47083	3.1
864.47302	60.9
865.47186	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	862.6463
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	2.5
69.07066	6.2
69.62125	1.9
69.62531	3.4
71.08241	1.4
71.08629	26.4
73.02908	2.7
73.06557	10.5
81.07049	2.7
83.08607	5.1
85.10178	16.5
86.09691	1.1
87.04469	16.4
88.53925	0.8
89.06030	100.0
89.22901	0.9
91.05484	1.6
91.07594	1.6
95.08613	1.4
97.06513	2.1
97.10176	5.7
98.21414	1.6
99.11712	3.5
101.02397	0.8
105.07018	1.2
107.07088	2.6
107.08586	1.5
109.04595	0.8
111.11707	2.9
113.06027	0.8
113.13274	1.5
115.07577	1.1
117.09133	11.2
119.08585	1.5
121.10079	0.9
125.13259	1.1
127.14815	1.4
130.08632	2.2
131.07036	4.1
133.08606	49.3
135.10153	1.2
141.16342	1.1
155.17967	1.4
161.11739	2.8
175.09676	2.1
176.24835	0.8
177.11220	20.0
184.07387	4.1
211.24193	2.5
221.13802	2.7
251.16905	1.0
255.26826	1.5
299.29401	4.5
313.27335	1.0
322.24411	0.9
343.31955	2.3
649.55688	0.9
691.40436	1.4
692.40588	5.6
845.60999	1.4
862.65112	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	862.4576
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02864	3.6
65.03868	2.0
67.05437	17.8
69.03358	5.6
69.07002	14.9
70.55348	2.4
71.04937	1.1
73.02862	1.9
79.05495	22.0
79.05912	1.4
81.03418	27.8
81.07054	19.3
83.04979	4.1
83.08614	3.5
85.02909	3.6
91.03893	1.7
91.05482	33.1
93.07044	16.2
94.06518	1.1
95.04954	7.4
95.08609	13.1
97.02893	7.2
97.06532	5.1
97.10158	1.6
103.05418	1.8
105.07037	13.1
107.04948	8.7
107.08598	7.7
109.06441	3.4
109.10076	2.8
111.08007	1.7
115.05396	2.6
117.07024	4.8
119.04926	5.6
119.08585	14.7
121.05676	0.7
121.06475	4.4
121.10139	10.6
122.05956	1.1
123.04452	4.0
123.08052	6.2
125.05935	1.8
125.09572	2.1
127.03905	0.8
128.06175	0.8
129.07014	7.0
131.04845	1.4
131.08583	9.8
133.06458	6.3
133.10156	5.8
135.04424	4.5
135.07964	2.5
135.11572	0.8
136.99060	0.7
137.05977	31.1
137.09615	3.7
141.06915	1.0
142.07727	1.1
143.06973	1.2
143.08487	2.9
145.06413	3.2
145.10019	3.0
147.04445	8.5
147.08046	6.6
147.11607	2.9
149.05963	4.1
149.09596	8.1
150.05421	2.2
151.06197	2.2
151.07434	2.0
152.07018	1.3
155.08594	1.2
157.06436	1.5
157.10109	3.6
159.07967	2.3
161.05971	10.5
161.09579	1.7
163.03818	0.9
163.07521	3.7
163.11038	0.8
164.07072	1.9
165.09010	3.2
167.99422	0.8
169.06438	0.9
169.09996	0.7
171.07967	1.7
171.11627	0.9
173.05984	5.6
173.09521	1.3
173.13173	0.8
175.07611	4.6
177.05371	0.9
177.09108	0.8
183.08012	1.0
183.10141	1.2
185.05922	1.0
185.09578	1.0
187.07506	5.7
189.05330	0.9
189.09021	2.1
191.06960	1.0
193.12254	4.4
197.09628	1.1
199.07510	1.0
199.11066	0.9
199.14862	1.3
201.09050	2.0
203.06984	0.8
211.13153	1.8
213.09074	1.9
215.10547	1.7
217.15881	0.8
223.13155	2.2
229.12312	1.0
241.12303	0.9
245.15291	0.8
257.11560	3.0
257.15430	3.4
275.12735	1.4
283.13037	1.0
285.14911	3.4
291.19418	3.9
301.14325	3.0
302.17557	5.2
303.15909	2.3
311.16284	1.8
316.15198	0.9
318.16833	1.6
328.19073	0.8
329.17505	4.4
337.19974	2.4
346.20068	6.5
347.18381	1.1
378.70917	0.8
390.80759	0.8
392.20828	3.0
402.23038	0.9
420.23703	3.1
602.33398	2.5
682.39539	14.6
700.40533	100.0
701.40936	6.9
742.41400	2.1
778.42255	1.3
808.43030	2.4
826.44299	3.8
844.44446	6.4
862.45770	68.0
863.46521	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	860.5151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.83661	0.4
61.02836	5.1
61.03176	1.2
65.03844	1.9
67.05413	17.6
67.05811	2.5
69.03336	2.5
69.06976	4.1
69.65928	0.5
71.04894	1.5
71.05247	0.5
73.02819	2.4
79.05389	17.7
79.05903	1.8
79.06142	0.7
80.56721	0.4
80.74545	0.5
81.03313	17.4
81.03841	1.7
81.06951	16.1
81.07466	1.7
83.04881	2.3
83.08514	5.1
85.02794	4.6
91.03884	1.1
91.05370	21.8
91.06003	1.9
93.06933	16.8
93.07560	1.2
95.04855	6.0
95.08495	12.4
97.02779	5.1
97.06419	1.6
97.10086	1.0
98.21537	0.9
101.02330	0.6
103.05373	1.1
105.06909	10.8
107.04952	3.4
107.08475	8.2
109.02795	0.6
109.06403	1.9
109.10159	5.4
111.08086	2.5
115.05372	1.1
117.07013	3.8
119.04965	4.0
119.08590	7.7
121.06389	2.0
121.10141	7.6
123.04422	4.0
123.07957	1.5
123.11574	1.5
125.09489	0.6
128.06096	0.8
129.07013	3.7
131.04858	0.9
131.08583	6.7
133.06497	3.7
133.10127	5.4
135.04446	4.0
135.11577	2.2
137.05989	21.4
137.06940	1.0
137.09494	1.2
141.06888	0.6
142.07658	0.9
143.04863	0.5
143.08476	1.2
144.05617	0.6
145.06461	3.0
145.10004	1.6
147.04424	4.8
147.07915	2.0
147.11694	4.4
149.05975	4.7
149.09627	4.2
149.13130	1.0
151.11018	0.5
154.08525	0.9
155.08485	1.0
157.06355	1.7
157.10117	3.1
159.04314	0.5
159.07930	1.6
159.11609	0.9
161.05986	8.4
161.09514	0.8
161.13226	0.6
163.07559	3.7
165.12640	0.9
169.06406	0.8
171.07898	1.9
173.05951	4.4
173.13223	0.6
175.07573	5.9
175.11188	3.4
177.07692	1.1
177.09026	0.8
183.07965	1.3
184.04675	0.5
185.05911	0.5
185.09476	0.6
187.07571	5.3
189.08954	1.6
191.06880	0.5
193.12227	6.0
195.07961	0.8
195.13713	0.6
197.09491	1.4
199.07411	1.8
201.09021	1.9
203.10545	0.5
211.07402	0.8
211.13272	3.7
213.08963	1.1
225.08952	0.8
225.12566	0.6
227.10570	1.0
239.14227	1.2
241.12160	0.6
243.13712	0.7
257.15424	4.1
267.13736	1.2
273.14838	0.8
285.14877	4.1
295.98193	0.5
299.16345	0.6
301.17648	0.6
302.17484	4.5
303.15759	2.1
311.16479	1.4
329.17535	5.8
335.25815	7.0
341.17416	0.9
346.20126	6.9
347.18372	0.8
385.20074	0.9
402.22516	0.8
403.21030	0.6
420.23825	7.9
438.24939	1.6
489.03906	0.6
497.31030	0.8
582.29004	0.8
619.39557	0.5
654.43396	0.9
680.45245	3.3
681.44098	1.5
698.46265	100.0
699.46582	7.8
719.53845	0.6
740.46936	0.8
776.48047	1.0
793.95929	0.6
806.48785	1.4
824.49384	4.1
842.50665	5.2
860.51532	45.1
861.51862	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	858.4486
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	6.9
65.03946	1.8
67.05136	0.4
67.05508	14.9
69.03434	25.0
69.07066	0.7
71.04997	9.6
71.49609	0.3
71.49963	0.4
73.02933	2.4
78.19444	0.3
79.05491	2.2
81.03419	5.9
81.07074	1.6
83.01350	0.9
83.04979	1.9
83.46825	0.3
85.02911	70.2
85.06551	8.1
87.04475	4.3
90.59999	0.3
91.03960	3.1
91.05497	1.5
93.07049	1.4
95.04976	43.2
95.08586	0.8
97.02900	19.1
97.06532	5.8
99.04466	3.7
101.06026	1.4
103.03935	0.7
105.07030	1.7
107.04982	0.6
107.08600	1.4
108.12759	0.4
109.02892	6.1
109.06529	1.0
109.10163	0.5
109.49540	0.3
111.04462	2.4
113.06013	100.0
114.06350	0.8
115.03947	1.1
117.07026	0.7
119.08602	1.4
121.06519	0.6
123.04424	0.5
123.08093	0.4
125.06021	0.7
127.02980	0.8
127.03923	16.7
127.07589	0.9
129.05467	0.6
131.08588	0.8
133.06477	0.5
133.10141	1.2
135.04433	0.5
137.05989	1.4
145.04970	30.9
145.08606	25.7
147.08031	0.7
147.11650	0.5
149.05975	0.5
149.09537	0.4
157.10040	0.4
159.11676	0.5
161.09676	0.4
163.06033	12.0
163.07422	0.7
171.11748	0.3
175.07588	0.4
175.14828	1.4
179.07132	0.6
185.07971	0.3
189.07593	3.1
210.28653	0.4
211.09702	0.5
221.07957	0.5
234.40344	0.4
239.09109	2.7
241.07219	0.3
257.10220	6.7
257.12875	0.4
271.08078	0.5
275.11237	3.4
289.09171	1.1
325.11337	10.7
337.21625	0.4
355.22525	2.3
367.09647	0.4
373.23767	39.0
374.24139	0.9
414.26505	0.6
493.05627	0.4
495.33820	0.4
694.45917	0.3
836.90881	0.4
858.40082	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
69.37975	4.2
69.38374	13.1
79.05486	3.1
81.03446	2.4
81.07080	2.1
84.26957	1.7
89.06058	1.7
105.07023	3.8
199.67747	1.9
227.23701	1.9
236.09929	2.0
241.08655	1.7
255.23422	2.2
311.29160	2.0
403.19385	3.8
405.20648	4.9
406.21494	3.0
415.19336	2.6
417.20926	3.4
418.21634	3.0
419.22125	3.1
421.23846	6.2
429.20862	4.7
433.23822	6.0
434.24673	2.7
444.23578	2.2
445.19992	3.6
447.21411	2.2
448.04449	1.7
456.52710	1.9
457.19943	2.1
459.21826	6.5
459.31543	2.0
460.22617	12.4
461.23563	5.1
472.22382	3.4
473.23193	5.5
474.23914	4.0
485.23349	2.6
487.25208	11.3
491.24722	2.6
496.22797	2.0
503.24442	4.5
506.26816	4.0
517.16779	2.0
519.24249	2.5
521.22791	2.1
545.25323	13.7
549.23102	3.2
561.50885	2.0
565.26556	2.2
605.26794	5.4
609.25110	3.7
625.26825	2.0
637.25482	2.3
640.26843	2.3
649.24548	2.2
695.28107	3.6
723.27325	3.1
739.30933	3.0
751.27130	2.5
755.30786	24.5
783.30145	71.0
784.30865	2.6
815.32849	100.0
816.31781	6.4
827.28540	5.0
859.31927	33.1
859.46881	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	858.4484
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	6.5
62.56335	0.5
65.03926	1.4
67.05506	15.5
69.03429	23.3
69.07060	1.2
69.29277	4.6
71.04993	10.8
73.02914	1.6
75.04420	0.5
79.05492	3.0
81.03421	4.6
81.07056	3.6
83.04974	1.8
83.08623	0.6
85.02906	54.5
85.06541	7.6
87.04458	3.1
87.33007	0.5
87.58364	0.5
91.03940	2.8
91.05486	1.9
92.05621	0.5
93.07048	3.3
95.04968	38.1
95.08596	1.9
95.35889	0.5
97.02896	16.5
97.06538	8.1
99.04459	2.1
99.08135	0.6
101.06012	1.1
103.03944	0.7
105.07023	3.1
107.08599	3.3
109.02881	4.9
109.06546	1.3
109.10160	1.2
111.04462	1.3
111.08090	0.9
113.06006	100.0
114.06369	1.1
115.03925	0.6
117.07025	0.6
119.04938	0.5
119.08562	2.0
121.10132	2.7
123.04443	0.6
123.11681	0.6
125.05995	5.7
125.09694	0.6
127.02995	0.7
127.03920	12.5
129.07048	0.7
131.08565	1.9
133.06482	0.8
133.10130	2.7
135.11707	1.5
137.06036	1.1
139.03893	0.5
143.08574	1.2
145.04961	21.4
145.08598	16.8
145.10088	1.6
147.11702	1.7
149.06001	0.8
153.05498	4.6
155.07039	4.4
155.08383	0.9
157.10149	1.1
159.11719	3.9
161.13257	1.5
163.06062	8.1
163.07439	1.1
167.07043	0.5
169.10114	0.8
171.11703	1.1
172.67313	0.5
173.13303	0.9
175.14854	2.8
179.07094	1.1
181.08649	0.5
183.11623	0.6
185.13252	1.0
187.14859	1.0
189.07565	2.2
189.16373	1.0
195.11685	0.6
197.13327	0.6
199.14876	1.5
201.16374	4.3
211.14583	0.6
215.18063	1.1
215.28030	0.6
217.12254	0.9
225.16391	0.8
229.12379	1.0
239.09116	1.5
243.13832	0.5
255.13844	0.6
257.10181	4.9
273.14969	0.5
275.11255	2.2
277.19543	1.5
291.20950	1.3
298.11234	0.6
309.22159	1.0
319.20544	1.3
325.11185	5.2
337.21655	7.0
355.22687	17.0
356.06784	0.5
373.23746	70.9
374.24121	2.2
414.26178	1.2
517.31604	10.6
724.67572	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5831
Annotation	Unknow
Peak:m/z	Relative Intensity
63.07941	0.5
65.03945	0.5
66.04740	0.5
67.05502	2.2
69.03430	1.0
69.07063	2.3
71.08637	33.7
73.02929	2.8
73.06566	4.3
74.56248	0.5
79.05499	3.3
81.07081	2.7
83.05001	1.0
83.08624	0.9
85.10189	18.9
86.09712	1.0
87.04475	33.4
89.06038	100.0
90.04707	0.6
90.06367	0.6
91.05486	13.0
91.46049	0.5
93.07050	5.4
95.04989	2.0
95.08616	1.8
97.06531	0.6
103.05470	2.2
105.07041	6.1
107.04961	3.5
107.07095	1.2
107.08576	4.8
109.10174	1.3
113.06004	1.3
115.07594	0.6
117.07036	2.7
117.09123	2.6
118.07841	0.7
119.04961	1.4
119.08576	4.7
121.06516	16.1
121.10193	1.8
123.08083	1.2
127.14877	1.7
130.08649	1.6
131.07051	12.3
131.08597	2.3
133.08615	64.9
133.10217	2.2
134.08965	0.6
135.08061	6.5
135.11699	1.5
136.05167	0.7
145.10146	1.6
147.08066	9.2
149.09644	5.2
150.06807	2.5
151.11192	0.6
157.10109	0.6
159.10306	0.7
159.11745	0.8
161.09612	1.6
163.11185	3.7
163.14888	0.7
164.08295	0.8
165.09137	4.2
167.10699	2.2
171.11728	0.5
173.09636	1.1
173.13245	0.6
175.09691	10.5
175.11122	0.8
177.11252	26.5
177.12695	1.7
179.10857	0.5
184.07358	1.6
189.12807	0.7
191.10753	3.3
193.12300	2.0
199.11162	0.6
209.11787	2.2
211.13330	3.6
217.12286	1.0
219.12315	2.4
221.13834	4.7
227.12787	1.0
227.68349	0.5
235.13379	1.9
245.19112	0.7
247.20609	15.9
248.20964	0.7
253.14372	2.9
255.16048	2.4
257.19086	0.7
261.22083	0.7
265.16464	1.2
273.22150	4.1
275.20148	1.6
279.16141	1.0
283.17535	1.0
289.21838	1.1
289.25388	2.1
291.23215	26.7
292.23499	1.3
299.18646	1.1
309.19254	1.4
317.24869	2.9
327.20316	0.7
333.24313	0.8
335.25885	6.1
349.23807	1.2
353.21921	1.0
365.23636	0.7
711.41852	0.8
837.56421	2.6
854.58746	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	854.5257
Annotation	Unknow
Peak:m/z	Relative Intensity
61.21181	2.7
65.03943	5.2
67.05508	66.8
69.03423	14.7
69.07071	42.4
70.50900	7.9
71.04990	5.2
71.08643	3.7
75.43232	2.5
79.05500	59.8
81.02713	2.8
81.03407	13.1
81.07060	68.5
83.04977	11.3
83.08621	15.0
85.02899	5.4
85.06525	3.1
87.04436	4.5
87.48833	2.3
89.06004	4.9
91.05480	53.0
93.07048	52.3
94.76820	2.6
95.04974	15.4
95.08614	32.3
97.02899	15.2
97.06522	15.6
97.10177	18.1
98.21467	2.6
99.04414	2.4
99.08063	3.7
105.04530	3.1
105.07030	48.8
107.04988	12.1
107.07965	3.8
107.08606	35.7
108.08941	3.0
109.06523	7.1
109.10146	24.2
111.08086	7.0
117.07014	18.2
119.08580	31.4
121.06500	9.8
121.10136	16.3
121.93446	2.7
123.08087	7.1
123.11749	4.7
125.09631	11.2
127.03902	3.8
128.06200	3.5
129.06978	8.5
131.08588	24.7
133.06517	4.0
133.08624	2.7
133.10138	33.6
135.08041	7.4
135.11694	13.8
137.09615	3.7
142.07718	2.5
143.08545	6.2
145.10121	15.7
147.08044	10.0
147.11685	8.7
149.09641	11.6
149.13232	12.1
151.11198	10.4
153.09013	3.2
154.09503	2.4
157.10085	5.0
159.11687	11.1
161.09590	6.1
161.13353	4.7
163.11162	9.5
165.09187	4.2
171.11702	5.6
173.13264	4.4
175.11206	7.1
177.12772	4.1
179.10600	2.6
184.07341	6.3
185.13376	3.3
185.98511	2.8
187.11194	4.0
189.11261	6.7
195.13770	7.3
205.12169	3.4
214.32602	2.6
223.13345	17.7
227.12758	10.2
235.13118	3.1
245.19019	3.3
249.14914	3.4
253.14366	16.4
255.15749	4.1
257.18930	3.1
267.15985	4.2
269.17508	31.2
273.18524	22.4
275.20056	19.7
291.19559	100.0
313.27255	5.2
347.22086	7.2
349.23740	15.4
365.23218	52.2
365.27509	4.8
367.24860	3.2
380.68179	2.7
461.28711	3.4
495.36713	3.2
541.35077	3.9
545.34918	19.1
559.36346	68.0
560.36676	3.8
621.41364	2.8
625.37408	3.1
639.42444	20.2
854.45850	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	854.5251
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08888	1.5
65.03934	3.6
67.05507	48.3
69.03439	9.0
69.07072	38.3
69.14097	4.5
69.14510	13.0
71.04996	4.3
73.02903	1.8
73.06601	1.8
75.79519	1.7
79.05495	47.7
79.93024	1.5
81.03421	11.9
81.07058	49.3
81.07536	2.5
83.04986	8.6
83.08617	14.0
85.02920	3.1
85.06533	3.0
86.09684	1.9
87.04432	1.8
91.05480	38.8
93.06484	3.2
93.07047	41.3
95.02628	2.0
95.04972	13.5
95.08612	25.5
97.02909	9.8
97.06525	9.4
97.10178	15.5
103.05487	2.8
105.04530	2.0
105.07035	30.9
107.04957	9.7
107.08591	24.9
109.02891	1.5
109.06539	5.5
109.10173	11.8
111.08096	2.8
115.05450	2.5
117.07024	11.9
119.04952	1.9
119.08595	19.4
121.06515	8.9
121.10156	12.4
123.04498	1.9
123.08072	4.5
123.11723	3.4
125.09616	12.0
128.06264	1.9
129.07011	6.1
131.08574	14.9
133.06505	5.0
133.10144	16.9
135.08055	5.8
135.11687	6.7
137.09703	3.8
143.08600	6.2
145.06516	2.0
145.10127	9.5
147.08051	7.7
147.11708	9.5
149.09613	9.3
149.13310	5.7
151.07506	1.8
151.11163	4.6
155.08633	2.3
157.10170	6.1
159.08084	1.9
159.11661	8.4
161.09599	5.6
161.13287	3.2
163.11166	8.0
165.09100	2.4
169.10130	2.4
171.11713	3.8
173.13281	3.0
175.11211	4.8
177.12820	2.7
184.07291	2.2
185.13338	2.7
185.99097	1.5
189.11249	5.2
193.12219	2.1
195.13737	2.4
212.34377	1.9
221.15379	1.9
223.13284	16.5
227.12791	14.1
235.51981	1.7
239.18155	1.7
249.14903	5.6
253.14417	3.5
255.15994	5.1
257.19049	5.5
266.33844	1.8
269.17352	11.1
273.18628	11.9
275.20050	22.1
291.19550	100.0
292.19766	2.8
293.21103	2.3
313.27487	1.9
347.22174	3.7
349.23758	16.7
365.23270	34.1
503.32071	1.9
541.34515	3.1
545.34607	12.3
559.28601	2.8
559.36462	40.8
560.36627	2.5
639.42328	22.3
657.43243	2.3
674.46069	2.0
854.46027	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	850.5674
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04992	3.6
61.02914	3.3
65.03933	4.5
67.05508	63.6
69.03442	6.8
69.07076	16.9
69.16523	13.3
71.04980	5.3
71.08640	15.7
73.02911	2.8
74.25269	1.1
78.97086	1.3
79.05499	60.8
81.03416	8.6
81.07059	57.9
83.04988	9.5
83.08621	8.3
85.02899	5.3
85.06534	3.1
85.10171	1.2
91.03966	2.0
91.05486	64.7
92.05791	1.5
93.07047	48.1
95.04969	9.1
95.08611	41.7
97.02872	4.1
97.06546	8.2
97.10176	2.7
98.20851	3.6
98.21529	2.8
99.08099	10.5
103.03928	2.8
103.05448	3.7
105.03410	1.2
105.04533	1.3
105.07037	33.6
106.70184	1.2
107.04961	4.4
107.08596	22.3
109.02866	2.6
109.06500	4.8
109.10149	11.9
111.08094	2.5
115.05456	7.9
116.06171	1.7
117.07022	38.5
117.09173	2.0
119.07823	1.9
119.08604	23.1
121.06509	5.7
121.10149	22.9
123.08065	7.8
123.11697	5.5
123.20701	1.3
125.09621	1.8
127.03888	2.7
127.72626	1.1
128.06223	6.0
129.05447	3.5
129.07011	25.8
131.04875	1.3
131.08574	32.8
133.06485	3.5
133.10127	12.8
135.08038	10.3
135.11673	9.6
137.09598	2.0
137.13223	2.2
139.07562	1.1
139.11168	3.0
141.07013	13.6
141.12686	3.8
142.07703	3.0
143.08569	15.8
145.06441	4.0
145.10130	17.2
146.38844	1.2
147.06798	1.1
147.08058	3.8
147.11655	5.3
149.09607	5.5
149.13254	4.6
153.07045	1.4
154.07750	1.8
155.08553	10.8
157.06454	1.5
157.10141	13.7
159.08081	2.9
159.11719	11.3
161.09613	4.8
161.13274	4.9
163.11220	2.3
163.14847	1.8
167.08566	4.0
168.09332	1.5
169.10121	14.4
171.08069	2.2
171.11688	7.6
173.04445	1.3
173.09598	2.4
173.13274	9.5
175.11256	2.8
175.14867	2.5
181.10175	6.1
183.11693	12.3
185.13274	10.7
187.11195	10.9
187.14735	2.5
189.12698	2.6
191.14333	1.4
195.11679	5.2
199.11174	2.8
199.14821	5.0
201.12778	10.5
203.14313	5.0
207.11659	1.5
209.13243	1.8
213.12737	1.9
217.12308	1.2
217.15927	4.0
219.13756	2.7
239.18021	2.9
243.21100	2.3
255.21118	2.4
259.20593	2.2
261.22202	4.9
265.19421	3.7
275.16318	1.7
283.20602	13.2
291.19556	3.3
293.17490	19.1
301.21622	11.0
317.24768	1.8
335.25821	100.0
336.26147	4.7
361.27328	1.9
366.23334	1.9
375.25320	12.2
393.26297	1.8
459.21750	1.3
497.31024	3.3
531.26135	1.4
545.07507	1.2
552.21515	1.8
553.38977	30.4
554.39594	1.5
569.41040	1.3
624.22833	1.3
635.46686	10.1
639.24902	1.7
640.26611	1.7
653.47253	4.3
850.38013	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	850.5668
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05003	9.6
61.02922	5.3
62.64003	1.8
65.03932	5.3
67.05508	96.9
68.05807	2.3
69.03413	8.9
69.07071	32.3
69.54668	13.8
71.04985	6.4
71.08629	11.6
73.02913	3.3
77.03926	3.3
79.05495	75.7
81.03414	9.7
81.07061	97.4
83.04974	11.4
83.08626	18.0
85.02889	6.3
85.06540	4.5
87.26254	1.9
91.03960	2.4
91.05483	100.0
93.07053	72.8
95.04970	14.7
95.08607	50.1
97.02882	7.5
97.06534	15.8
97.10144	3.5
99.08104	12.3
103.05452	2.4
105.07035	58.2
107.04940	7.4
107.08597	41.3
109.06500	5.6
109.10162	20.6
111.08057	6.1
115.05482	3.9
117.07027	38.2
117.09156	3.6
119.08582	52.4
121.06495	4.8
121.10154	24.6
123.08061	4.3
123.11700	6.4
125.09612	2.6
127.03884	3.4
128.06209	5.1
129.05469	7.2
129.07010	19.0
131.08571	41.9
133.06509	4.2
133.08630	2.4
133.10135	41.3
135.08089	10.1
135.11711	16.9
137.09572	2.3
141.07010	6.0
141.12758	3.1
142.07797	2.6
143.08577	20.9
145.06464	3.1
145.10123	28.6
147.08060	6.5
147.11703	16.3
149.09647	9.7
149.13283	12.0
151.11208	5.8
153.07037	2.5
155.07408	2.0
155.08565	8.4
157.10123	16.7
159.08064	2.3
159.11708	17.2
161.09631	4.9
161.13263	10.6
163.11179	6.7
163.14766	4.3
167.08548	4.6
169.10124	11.4
171.11685	15.9
173.11984	2.2
173.13158	10.4
175.11197	4.7
175.14807	4.8
177.09164	2.4
177.12723	4.9
177.16348	2.3
179.14322	3.1
181.10074	3.9
183.11620	3.2
184.07397	2.4
185.13287	13.2
187.11145	8.5
187.14841	5.9
189.12726	2.3
189.16396	8.7
191.14383	2.0
195.11707	3.9
195.13742	4.7
197.13174	3.5
198.18497	2.8
199.14822	6.4
201.16367	5.2
203.14328	6.9
203.17943	17.5
209.13164	1.9
213.16344	2.5
216.41263	2.2
217.15976	4.5
227.12700	3.0
239.17975	3.5
245.22430	3.3
251.12813	3.1
251.16429	2.5
255.15907	13.3
255.21233	2.7
257.19064	6.1
259.20584	2.5
261.22156	4.1
265.19379	2.6
269.17502	39.4
269.22415	15.3
275.19971	11.4
283.20605	5.8
287.23666	16.2
301.21655	15.4
309.20575	2.5
335.25827	65.8
349.23807	18.4
357.24463	2.5
361.27374	38.0
362.27759	4.2
367.24854	7.0
375.25433	14.2
413.21780	3.2
459.21762	2.3
541.38916	10.2
551.21466	2.5
552.21674	6.2
555.40454	36.7
570.40625	2.4
595.42877	2.2
624.23297	2.3
635.46649	24.3
639.25946	2.8
653.47559	3.9
679.71808	2.2
785.96045	2.5
850.38055	4.1
850.53125	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	850.4946
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02645	1.4
61.02929	14.0
65.03930	1.9
67.05506	33.2
69.03439	6.7
69.07067	6.0
70.19431	3.4
71.14208	0.8
73.02917	7.5
77.03887	1.2
79.05494	26.7
79.27386	1.0
81.03419	4.0
81.06593	1.6
81.07056	29.0
83.04972	1.1
83.08614	3.9
85.02908	10.6
87.04461	1.4
91.03960	5.1
91.05485	15.6
93.07044	27.3
95.04961	3.5
95.08070	1.5
95.08614	20.2
97.02896	8.9
97.06496	1.0
97.10187	1.4
98.03214	1.1
99.04429	1.7
99.08093	1.7
101.02364	1.9
103.05449	1.1
105.07033	8.3
107.08597	8.2
109.06506	1.0
109.10155	8.7
115.03918	1.1
115.05421	1.3
117.07021	3.7
119.04920	1.9
119.08602	4.8
120.08117	0.9
121.10150	12.4
123.04456	2.4
123.08022	1.2
123.11726	1.9
125.09586	1.2
127.03934	1.7
129.07069	1.3
131.04932	2.8
131.08612	5.0
133.10098	2.8
135.11710	4.9
137.05980	10.0
143.04898	1.2
144.08018	1.1
145.06448	1.5
145.10147	2.5
147.04471	1.7
147.11690	1.9
148.05115	1.0
149.04848	1.1
149.05986	3.9
149.09633	1.4
150.09154	1.0
151.11203	1.2
155.08513	1.1
157.06528	1.2
159.11652	2.1
160.07596	1.8
161.05972	4.8
162.05521	5.7
162.06709	1.2
163.07538	1.5
164.07069	26.6
169.06447	1.0
173.06015	7.8
173.13292	1.0
175.06241	2.8
175.07597	3.0
176.07063	6.0
177.07855	37.8
178.08566	3.8
180.13782	1.6
180.86412	0.9
182.15398	1.7
187.07579	1.5
188.07085	1.1
189.07727	1.2
190.08629	11.9
191.09491	4.6
191.38698	1.0
202.08600	2.0
203.09372	0.9
204.10214	2.5
216.10179	1.5
233.18958	1.0
256.16943	1.6
274.15021	1.9
274.18015	35.5
275.18439	1.4
291.48026	0.9
300.16058	1.1
302.17499	45.8
303.17795	2.2
307.22699	29.5
320.18597	26.2
346.20117	2.4
358.20239	1.5
376.21265	9.0
393.21402	1.9
394.22253	26.4
469.28079	1.8
489.06287	1.0
504.36752	1.8
626.40515	83.3
627.40588	4.8
670.43115	43.1
671.42969	2.1
788.45807	100.0
789.46979	5.7
814.47009	2.0
832.48383	85.4
833.48651	6.9
850.49097	1.6
880.29419	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4948
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	13.7
65.03931	3.3
67.05509	43.1
69.03446	7.2
69.07067	11.2
70.04445	3.6
71.04978	2.3
73.02926	4.8
79.05497	29.9
81.03422	23.2
81.07060	39.3
83.04971	1.9
83.08620	4.2
85.02904	9.9
87.04475	0.9
91.03972	5.2
91.05487	30.3
92.73331	0.9
93.07051	34.3
95.04995	4.9
95.08609	44.1
97.02898	10.8
97.06522	2.8
97.10203	1.7
99.04498	1.2
101.02351	1.6
103.05471	3.3
104.00904	0.8
105.04474	1.2
105.07034	9.4
107.04971	1.5
107.08591	11.6
108.06447	0.8
109.02880	1.1
109.06516	3.0
109.10155	11.2
110.09728	1.3
111.08115	1.7
115.05473	1.8
117.07024	5.2
119.04949	3.7
119.07806	1.3
119.08598	15.0
121.06495	3.9
121.10164	9.4
123.04442	4.9
123.08089	2.7
123.11706	2.6
127.03945	1.3
129.07011	3.5
131.04941	6.0
131.08588	5.0
133.06494	3.2
133.10144	5.1
134.06020	0.9
135.04437	3.3
135.08093	1.2
135.11678	4.5
137.05989	29.3
137.08730	1.1
137.09573	5.7
142.50497	0.8
143.04910	1.4
145.06488	2.9
145.10139	2.8
146.06017	1.9
147.04402	6.1
147.08076	2.9
147.11681	2.2
148.07590	1.3
149.05975	13.6
149.09619	1.7
149.13271	1.7
152.07115	1.2
152.10736	1.4
154.12375	0.9
155.08611	1.0
157.06485	1.8
157.10185	1.0
159.08069	1.6
159.11676	1.4
160.05186	1.4
160.07530	1.2
161.05960	8.4
162.05508	4.4
163.03894	1.2
163.06325	1.0
163.07553	2.2
164.07100	11.4
165.09129	6.3
171.08000	1.1
173.06020	9.8
173.13220	1.0
174.05476	1.1
175.06215	1.1
175.07578	4.1
175.14943	1.0
176.07071	5.9
177.07869	28.1
178.08609	1.5
180.06567	12.4
183.08087	1.9
183.10063	1.8
187.07590	2.9
188.07108	1.0
190.08633	4.8
191.09407	2.1
192.06508	4.6
199.07504	1.8
203.07040	1.0
204.10309	1.6
209.09706	1.0
211.11208	2.5
213.09096	1.6
215.10686	0.9
227.10660	1.6
229.12271	3.5
231.13638	1.1
235.88319	0.8
239.10641	2.2
246.14893	5.0
256.13321	3.8
257.11716	6.0
267.13754	1.0
274.11575	1.6
274.14398	21.8
274.17465	1.8
275.12643	1.5
283.13284	0.9
292.15421	18.8
301.14352	4.6
302.17639	1.4
307.22656	2.4
318.17029	5.8
320.18762	0.9
330.17053	1.2
335.25806	18.5
348.18008	4.7
366.19156	13.8
392.20648	3.8
410.21887	1.6
425.44623	0.9
436.19904	1.3
504.36893	1.6
552.29028	1.0
626.40546	73.0
627.41089	4.3
652.41614	1.5
670.43176	100.0
671.43292	6.5
688.44073	7.1
712.43915	1.3
788.45819	60.8
789.45673	4.0
796.45728	2.4
814.47424	4.7
832.48462	93.2
833.48615	8.0
850.48950	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	849.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05000	11.2
65.03950	1.4
67.05505	21.2
68.05798	1.5
69.03443	2.4
69.07070	8.4
70.82622	2.3
70.82969	3.4
79.05494	16.8
81.03439	2.7
81.07053	19.0
82.07420	1.9
83.04982	1.8
83.08614	2.0
83.32455	1.3
83.85427	1.4
85.02941	1.6
89.06030	2.7
91.05478	18.0
92.05804	1.7
93.07050	14.9
95.04990	2.5
95.08617	14.2
97.02912	1.6
97.06537	4.8
105.07058	10.0
107.04971	2.4
107.08608	7.4
109.06529	1.7
109.10170	4.4
115.05470	2.4
117.07023	11.4
118.07347	2.1
119.08604	6.9
120.08847	1.3
121.06506	2.8
121.10180	5.0
123.08060	2.8
128.06207	1.4
129.07033	5.3
131.08574	9.5
132.08916	1.5
133.06508	1.4
133.08577	1.9
133.10167	4.6
135.08083	2.6
135.11708	1.6
139.11188	1.5
141.07018	4.2
143.08609	4.2
145.10178	4.7
146.10547	1.6
147.11726	2.0
155.08510	2.7
156.08978	1.5
157.10167	4.8
159.11711	3.6
161.09630	2.0
169.10167	3.5
171.11726	2.4
173.13306	3.0
181.14726	1.4
183.11658	2.2
184.12114	1.5
185.13240	1.5
187.11215	2.2
197.13319	2.9
201.12799	2.0
241.75906	1.7
293.17618	2.9
299.19962	1.6
335.25803	25.3
336.26160	12.1
415.19095	2.2
442.05975	1.6
443.18729	4.7
444.19299	1.9
457.19632	2.0
458.21179	4.2
459.21774	24.8
460.22336	2.0
475.15781	2.0
476.16779	4.8
477.17624	4.8
479.15088	1.7
491.18951	16.3
492.19647	3.1
505.20416	1.7
518.23169	5.7
537.23053	1.7
545.25629	5.0
547.27618	1.9
551.21106	100.0
552.21570	3.6
553.39166	3.3
554.39325	4.0
563.21381	5.2
577.22504	2.2
579.24377	6.8
623.23187	12.3
638.25568	49.6
639.26270	34.7
640.26300	2.6
842.07721	1.5
849.38843	48.3
849.51819	2.4
850.39075	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	848.6308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04996	3.4
67.05499	3.8
68.93133	0.9
69.07072	5.3
71.04992	0.9
71.08636	28.0
71.49478	1.2
73.02909	2.1
73.06556	11.5
79.05484	4.2
81.07081	4.5
83.08623	4.8
85.10191	19.8
86.09715	1.6
87.04472	17.8
89.02413	5.1
89.02855	1.0
89.06035	100.0
91.05482	4.0
93.07050	3.8
95.04965	1.0
95.08611	2.3
97.06563	1.0
97.10143	6.0
99.11734	2.0
104.18635	0.9
105.07040	11.0
107.07059	1.6
107.08559	2.2
111.11717	2.7
113.13265	1.5
115.07568	1.1
117.05528	2.1
117.07022	1.6
117.09148	9.7
119.08573	2.9
121.06525	1.1
125.00021	0.9
125.13239	1.5
127.14869	1.5
129.07034	1.0
130.08614	1.6
131.07019	4.0
131.08633	1.8
133.08607	57.1
135.11734	1.0
145.10117	2.4
159.11655	1.2
161.11739	1.7
175.09677	2.0
177.11229	23.4
180.23982	1.0
184.07387	5.1
188.09889	0.9
197.22627	2.0
201.16415	1.0
221.13879	4.2
223.46901	0.9
229.14392	1.0
241.25247	1.9
265.16571	1.7
275.20178	1.0
285.27936	5.5
313.27603	1.5
329.30594	2.7
335.25742	1.8
349.23712	1.1
353.21487	1.0
359.25449	1.2
371.22714	1.2
607.68988	1.1
633.45062	1.4
831.59668	2.6
848.48792	1.6
848.63086	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	848.5153
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04996	1.4
65.03929	0.5
67.05516	1.9
69.03431	0.7
69.07068	0.5
69.83712	1.3
71.04996	0.5
73.02917	1.1
73.06547	1.8
77.03925	0.8
79.05491	7.8
81.03410	0.6
81.07044	1.3
83.08640	0.4
87.04467	9.7
89.06029	55.1
91.05480	12.6
93.07051	2.7
95.04983	2.2
95.08628	0.7
103.05467	7.6
105.04543	1.1
105.07030	100.0
106.07340	1.4
107.04967	2.6
107.07069	0.9
107.08567	0.4
109.10155	0.7
113.06036	0.3
115.05418	0.6
116.06245	0.5
117.07023	2.5
117.08395	0.3
117.09150	1.8
119.04940	1.4
119.08579	5.8
120.08019	0.3
120.25684	0.3
121.06502	15.2
121.10102	0.6
126.68391	0.3
128.06227	1.6
129.07013	4.1
130.08650	0.8
131.07077	3.3
131.08563	9.1
132.05702	1.1
133.06482	1.0
133.08598	37.3
133.10208	1.3
135.08008	1.0
135.11691	0.4
137.05930	0.4
145.06448	1.2
147.08046	42.0
148.08325	1.0
149.05949	0.4
149.09619	9.1
150.09970	0.4
153.07007	0.3
155.06085	0.3
157.10101	0.4
159.10172	0.4
161.11749	0.5
163.07503	0.6
163.11159	0.6
165.07037	0.4
165.09145	1.1
166.07759	0.8
173.09613	1.0
175.09648	2.1
175.11075	0.5
177.11221	13.1
179.08519	0.7
181.10124	1.5
184.07356	0.4
191.10616	0.6
192.09273	0.3
193.12207	0.9
204.09302	0.3
204.93977	0.3
207.11736	0.5
208.08763	0.4
209.09795	0.4
209.11600	0.4
219.12372	0.5
221.13792	2.3
222.10457	0.4
223.11159	2.2
223.15370	0.3
225.12735	22.5
226.13075	0.6
227.12756	0.5
229.14310	1.0
237.12730	0.3
249.12788	3.4
251.14305	3.5
255.15910	0.3
265.16348	0.6
267.13632	0.5
269.15366	2.7
271.15384	0.6
283.17538	0.4
295.16928	0.5
309.18784	0.3
311.16373	0.7
313.17896	1.2
315.17743	0.5
327.17368	0.8
329.18900	0.8
335.25769	0.9
339.19370	0.4
353.21414	0.4
373.21625	6.9
374.21991	0.3
417.24374	0.4
489.35699	0.6
686.46655	0.5
727.42163	0.5
831.47400	0.4
848.41931	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.5004
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04981	4.0
61.02930	10.1
65.03924	2.7
67.05508	96.6
68.05803	1.1
69.03428	3.1
69.07075	7.2
69.37072	1.5
69.37476	5.5
71.04980	4.2
73.02908	4.0
79.05495	20.9
81.03407	3.1
81.07061	35.2
83.08623	8.3
85.02910	12.8
85.06533	3.2
86.09689	2.9
87.04444	1.1
87.56734	0.9
88.84319	0.8
89.06036	4.5
91.03955	8.9
91.04913	0.9
91.05486	16.5
93.06490	1.5
93.07052	24.7
95.04936	1.3
95.08619	24.6
97.02895	5.4
97.06553	1.6
97.10187	1.9
99.04442	1.6
105.06384	1.6
105.07027	14.8
107.08606	14.1
109.10164	75.9
111.08086	2.4
117.07001	4.5
119.08589	14.0
121.10143	9.7
123.11708	3.8
125.09637	2.0
125.95313	0.9
127.03905	3.0
127.11206	1.0
131.08582	6.3
133.08559	1.2
133.10130	5.9
135.11694	8.0
137.09615	3.0
137.13278	1.3
145.04958	3.3
145.10225	4.8
147.11670	3.3
149.13226	5.6
154.43074	1.1
155.10672	5.4
159.11662	4.8
161.13216	2.7
163.06102	4.4
163.07295	1.0
163.14810	3.5
173.11736	18.1
173.13292	4.4
175.14774	1.5
177.11304	1.0
177.16400	1.8
184.07384	3.7
187.14836	1.9
195.05908	0.9
227.12752	6.8
229.14362	100.0
230.14691	2.2
243.21130	5.4
255.15794	1.4
261.22153	18.3
317.24777	3.5
330.17319	1.0
335.25821	62.1
336.26224	2.0
397.31021	1.5
415.31839	2.5
471.34711	2.1
489.35764	42.8
490.36176	2.0
507.36429	5.8
612.37415	1.1
658.46710	1.3
767.27087	1.0
848.43970	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.5152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05000	1.9
62.33878	0.3
62.34221	0.3
65.23377	0.3
67.05497	1.2
67.93556	0.3
69.03419	0.5
69.21722	1.8
69.22150	1.4
71.04997	0.4
71.39598	0.3
73.02921	0.9
73.06558	2.5
77.03902	0.9
77.67190	0.3
79.05068	0.7
79.05497	7.9
81.07074	0.4
85.02898	0.5
86.09693	0.5
87.03936	0.5
87.04471	9.3
89.06035	58.3
90.06361	0.5
91.05485	12.7
91.07571	0.7
93.07059	2.3
95.05015	1.8
95.08598	0.5
103.05466	8.6
104.10767	0.4
105.07035	100.0
105.42625	0.4
106.07366	1.5
107.04977	2.3
107.07066	0.9
109.10157	0.4
115.05436	0.7
116.06245	0.8
117.07040	2.1
117.09141	2.5
119.04940	1.8
119.08589	6.8
121.06504	14.8
128.06223	1.2
129.07021	4.0
130.08646	1.0
131.07077	3.3
131.08566	8.9
132.05713	1.2
133.06503	1.0
133.08611	38.5
133.10188	1.5
134.08917	0.4
135.08031	0.6
143.08565	0.4
145.06441	1.4
147.08055	45.6
148.08348	0.8
149.09628	10.6
155.06090	0.3
163.11177	0.6
165.06970	0.5
165.09090	0.6
173.09648	0.8
175.09666	2.6
175.10966	0.5
177.11229	13.8
179.08562	0.7
181.10110	1.9
184.07436	0.6
191.10670	0.5
193.12207	1.0
208.08858	0.5
209.09773	0.4
219.12192	0.7
221.13873	2.2
223.11104	2.2
223.15417	0.6
225.12755	23.6
226.13091	0.6
237.12955	0.6
239.15044	0.4
249.12794	4.0
251.14386	3.6
265.16376	0.4
267.13736	1.2
269.15305	2.4
276.06848	0.5
283.17563	0.6
295.16959	0.7
309.19214	0.5
311.16467	0.7
313.17981	2.1
315.18213	0.5
327.17145	0.7
329.19141	0.7
335.25754	0.6
373.21616	7.3
374.21475	0.4
417.24445	0.4
441.53143	0.4
483.07721	0.4
599.80627	0.4
668.41272	0.7
727.42493	0.5
783.25854	0.4
831.48022	1.2
848.40204	0.5
848.52203	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.5003
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05007	4.5
61.02934	10.9
65.03954	2.8
67.05509	100.0
68.05848	1.4
69.03436	3.6
69.07069	9.1
69.25984	7.3
70.06574	0.9
71.04993	4.5
71.08621	0.9
71.25638	0.7
73.02927	5.2
73.06561	0.9
73.75591	0.7
77.03937	1.3
79.05497	29.0
81.03434	3.1
81.07061	41.1
83.04991	2.1
83.08623	9.8
85.02908	13.9
85.06555	3.3
85.24504	0.7
87.04471	6.2
89.06036	40.7
90.78082	0.7
91.03953	7.1
91.05482	25.4
92.05815	0.8
93.07050	30.4
95.04983	3.7
95.08612	30.5
97.02892	6.5
97.06541	2.3
97.10192	3.7
99.04460	1.0
99.08118	1.2
101.09637	0.9
103.05476	5.0
105.07034	63.6
107.04991	1.6
107.08601	17.5
107.09319	1.3
109.06538	1.6
109.10162	82.9
111.08117	3.0
115.05453	1.1
117.07033	4.0
117.09137	1.4
119.08589	15.1
121.06502	9.4
121.10146	12.6
121.10946	1.2
123.08116	1.5
123.11732	4.3
125.00010	1.2
125.09654	1.5
127.03932	3.5
128.06242	1.3
129.07042	3.2
131.07066	2.1
131.08571	13.8
133.08609	22.4
133.10118	7.0
135.08031	1.2
135.11705	7.8
137.09644	3.4
137.13310	0.9
143.08643	1.2
145.04994	3.4
145.10164	4.7
145.12300	3.2
147.08057	27.0
147.11655	4.5
149.09653	6.4
149.13275	4.6
155.10658	5.7
159.11671	3.9
161.13269	3.6
161.17406	0.8
163.05984	3.9
163.14912	3.3
171.11673	1.1
173.09694	1.3
173.11797	18.0
173.13315	3.5
175.09784	1.2
175.14874	1.1
177.11238	8.7
177.16539	0.7
181.10117	1.0
184.07458	2.4
187.14902	2.4
189.11308	1.0
191.10709	1.0
193.12459	0.8
195.19720	0.8
203.16545	1.0
221.13878	1.1
223.11259	1.8
225.12762	12.3
227.12753	6.3
229.14360	93.6
230.14752	1.6
233.22780	0.9
243.21086	4.7
249.12860	1.9
251.14417	1.5
261.22150	22.5
269.15372	1.6
317.24808	4.2
335.25815	76.2
336.26266	2.4
345.20816	0.8
373.21744	4.4
379.30322	1.2
397.30963	1.7
415.32053	1.4
437.07056	0.8
471.34811	1.7
489.35782	74.0
490.36572	3.6
507.36725	6.6
633.39270	0.9
658.46985	0.9
707.39215	0.9
848.46954	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.5111
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04998	1.9
61.02932	9.5
67.05507	22.6
67.87194	1.0
69.03448	6.6
69.07071	11.5
71.08639	21.9
71.49385	1.4
73.02906	4.0
77.19621	1.4
79.05498	11.7
81.03416	2.3
81.07054	19.5
83.04979	2.8
83.08154	2.2
83.08620	29.6
85.02524	1.1
85.02911	13.4
85.06526	1.3
85.10178	14.0
86.09688	1.4
87.54037	1.1
89.06039	2.8
91.03961	7.4
91.05475	4.6
93.07053	7.4
95.08605	15.9
97.02868	6.1
97.06510	1.9
97.10168	54.9
103.07561	1.3
105.07001	1.6
107.08595	14.1
109.10156	8.7
111.08083	2.1
112.07961	1.2
117.07024	1.8
117.09119	1.2
123.11714	3.0
125.09630	56.7
127.03931	3.1
131.08517	2.1
135.08047	5.9
137.13234	1.9
143.10646	2.4
145.04935	2.3
153.09126	2.8
163.06013	3.2
171.10149	6.5
173.31189	1.2
184.07321	2.2
189.09903	1.1
189.11227	34.0
227.12779	82.3
239.23734	1.6
245.13852	87.0
246.14227	1.3
257.24789	1.9
307.22836	1.3
313.27371	99.0
314.27734	2.6
333.60251	1.2
347.97955	1.2
424.15970	1.2
435.57932	1.5
483.36835	100.0
484.37106	3.3
564.44922	1.2
605.82257	1.3
638.81482	1.2
702.79102	1.2
708.84290	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	844.4829
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05009	4.0
59.78837	0.8
61.02927	7.7
65.03945	2.5
66.44573	0.8
67.05503	22.0
69.03432	5.6
69.07076	7.4
69.39059	0.8
70.52573	0.8
70.66831	1.2
70.67180	2.1
71.05002	1.7
71.49221	0.9
73.02921	2.7
79.05495	24.8
81.03419	18.7
81.07059	26.1
83.04992	3.3
83.08622	1.5
85.02903	5.9
85.06543	1.7
86.09709	1.1
91.03972	2.1
91.05482	29.1
93.07046	20.3
95.01341	1.4
95.04969	6.1
95.08611	12.5
97.02880	5.7
97.06545	3.5
97.10157	1.3
99.04482	0.9
101.02357	0.9
103.05473	2.7
105.07034	19.3
107.04960	6.6
107.08594	10.8
109.06532	4.0
109.10166	5.9
111.08071	1.8
112.27673	0.9
115.05460	3.0
117.07030	11.9
119.04967	5.0
119.08568	8.1
120.05717	1.2
121.06497	4.3
121.10133	7.7
123.04443	4.5
123.08086	2.1
123.11703	1.3
124.99992	1.3
127.03949	1.4
127.07624	1.1
128.06190	1.5
129.07047	4.6
131.04973	1.2
131.08569	15.8
133.06487	10.2
133.10127	4.6
134.07304	1.1
135.04434	6.8
135.08049	8.0
135.11716	3.1
137.05988	22.6
138.06407	1.1
141.06995	2.3
143.08656	2.6
145.06523	2.1
145.10165	3.3
147.04417	5.0
147.08069	2.7
147.11725	2.2
148.07611	1.2
149.05995	6.4
149.09610	8.2
149.78268	1.1
151.07585	1.5
153.07018	1.3
155.08652	1.5
157.06532	2.6
159.08055	7.7
159.11719	1.3
161.05981	14.5
161.09604	2.2
161.13345	0.9
162.05540	1.2
163.03870	1.5
163.07581	3.9
164.07120	3.6
167.08615	1.1
171.08054	1.8
171.11737	1.6
173.05951	6.6
173.13284	1.8
175.07538	7.5
176.07077	1.2
177.07811	6.3
177.09161	8.7
178.08632	1.3
179.07092	1.3
183.08023	1.5
184.07362	4.5
185.06146	1.1
185.09650	1.0
187.07649	3.8
189.05519	2.0
189.09163	1.2
194.27957	0.9
195.07976	1.1
197.09666	1.2
199.07597	2.4
201.09244	1.5
203.07037	6.9
205.10239	1.4
211.07635	2.7
213.09166	2.3
215.07225	1.2
220.00073	1.0
220.09760	1.2
227.10683	1.8
228.10231	1.8
229.08598	1.4
241.08496	1.3
251.10649	1.6
253.12309	1.3
257.11832	1.7
269.11774	6.4
283.13434	1.1
286.14493	1.6
295.13290	1.6
296.50009	1.0
312.15967	2.0
313.14517	3.1
329.21399	0.9
330.17044	6.5
331.15521	1.2
335.25775	4.7
340.79977	1.0
360.18076	1.2
386.19720	2.0
404.20798	7.2
422.21756	1.0
638.40247	1.9
664.42102	7.7
665.41583	1.3
682.43127	100.0
683.43262	6.8
724.43903	1.4
760.44281	1.4
808.46381	2.7
826.47168	6.4
844.48419	44.0
845.47321	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	842.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
61.04042	0.7
62.86957	0.4
67.05506	1.7
67.40926	0.5
69.03421	1.4
69.99304	0.6
70.79401	0.6
70.79733	0.6
72.08157	7.9
73.02929	0.6
73.06562	0.9
79.05486	0.6
81.03415	1.1
82.06584	1.1
84.04514	2.4
84.08146	24.9
85.02894	1.6
86.09708	3.8
87.01955	1.3
91.03975	0.4
91.05488	1.1
93.42860	0.5
93.70142	0.4
95.01334	0.6
95.04934	0.6
95.08607	0.7
97.02901	1.3
97.07602	0.6
98.06054	1.1
105.07064	0.6
106.06575	3.3
107.08524	0.5
112.11263	0.9
115.08688	9.5
119.06080	0.9
122.09659	0.9
127.08683	86.2
128.08975	0.6
131.04927	0.5
132.04466	0.7
137.05989	1.0
139.02083	0.6
141.06584	9.3
149.06021	0.5
155.01578	0.9
157.13361	41.0
161.05981	16.3
163.07603	0.5
164.06995	0.6
164.20088	0.4
167.01663	4.2
169.03159	1.1
169.13376	42.7
175.07520	1.4
179.01637	1.0
179.06970	0.6
184.37045	0.4
191.07083	2.2
201.88005	0.5
203.07057	7.9
207.07974	0.6
209.08105	1.1
215.07016	0.8
221.06137	0.7
221.08165	1.4
223.07516	0.8
225.09123	0.8
233.08078	5.2
237.09320	0.8
239.07053	0.8
246.12384	28.3
247.12730	0.7
251.07277	0.5
253.08624	1.7
268.07373	0.6
269.08173	3.7
274.17975	0.5
276.17081	17.9
277.17459	0.6
281.08218	3.9
282.08902	1.1
283.04193	2.1
288.17068	100.0
289.17297	2.3
293.07919	1.3
295.09659	1.5
302.17291	0.7
309.07703	1.2
311.09161	1.7
312.09781	0.7
313.10852	0.6
315.06827	5.7
321.07755	0.6
322.08383	0.6
323.09253	3.8
324.04221	0.5
324.09882	1.1
327.06985	1.8
328.09143	0.7
336.09665	0.6
341.10043	1.5
355.06393	0.5
357.07950	5.2
359.09113	0.5
369.07944	4.0
369.38025	0.5
375.04611	0.6
375.09006	4.4
387.08835	2.6
405.10138	2.0
561.22772	0.7
650.24774	0.8
680.25940	1.7
723.27570	0.9
842.31244	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.5314
Annotation	Unknow
Peak:m/z	Relative Intensity
59.64746	0.4
59.98367	0.5
61.02825	5.1
61.03168	1.4
65.03833	2.0
67.05398	11.9
67.05785	2.0
69.03327	3.5
69.03733	1.0
69.06957	6.1
69.07367	1.0
69.99577	2.3
71.04919	1.1
71.08521	9.0
71.08950	1.5
73.02807	2.6
74.21865	0.5
79.05376	10.8
79.05883	1.4
81.03300	19.1
81.03826	2.3
81.06936	13.5
81.07458	1.7
83.04871	2.5
83.08495	9.0
85.02781	5.2
85.06454	1.0
85.10060	5.4
85.10607	1.2
89.05941	1.1
91.03821	2.2
91.05356	18.1
91.05994	1.9
93.06911	9.6
93.07549	1.1
95.04838	6.9
95.08475	12.5
95.09119	0.9
97.02761	5.8
97.06409	1.7
97.10043	3.7
99.04366	0.7
99.08043	0.6
103.05331	1.5
105.06892	9.4
105.29084	0.5
107.04816	3.8
107.08459	6.4
109.02764	0.9
109.06380	2.0
109.10021	5.4
111.07938	2.6
115.05312	1.4
117.06999	2.9
119.04934	5.6
119.08579	7.1
121.06366	2.1
121.10141	6.0
123.04298	3.6
123.07940	1.7
123.11556	2.1
125.09505	1.1
127.03786	1.0
128.06099	1.2
129.06995	5.0
131.04810	1.2
131.08560	5.5
133.06483	4.6
133.10126	4.7
135.04404	3.0
135.07933	0.9
135.11604	0.8
137.05980	32.9
137.06931	1.7
137.09464	1.5
137.13126	0.6
142.07698	1.1
143.04929	0.6
143.08405	1.0
145.06488	3.5
145.09985	1.7
147.04401	6.8
147.08072	3.0
147.11673	4.8
149.06012	4.2
149.09615	5.8
151.07373	0.7
155.08446	0.7
157.06326	2.0
157.10107	4.0
159.08035	2.5
159.11569	0.9
161.05978	10.4
161.09494	0.8
163.03799	0.8
163.07533	5.1
163.11078	0.6
164.06946	1.1
165.05344	0.9
165.12650	1.2
167.10545	0.8
171.07922	1.5
173.05983	5.6
173.09505	1.1
173.13264	0.5
175.07547	6.9
175.11151	3.9
177.07718	0.8
180.45012	0.6
183.07938	1.4
184.07240	0.9
185.05913	0.9
187.07527	7.2
189.05328	0.9
189.09157	3.1
191.06833	1.2
193.12225	8.5
195.13757	0.5
195.89119	0.6
197.09489	0.8
199.07559	2.4
201.09242	2.4
203.06891	0.6
203.10587	0.7
211.13231	4.8
213.09013	1.1
215.10542	1.2
217.08482	1.0
221.15279	1.8
227.10577	0.7
229.08508	0.7
231.10110	0.6
239.14093	1.1
239.23540	1.3
257.15347	6.0
257.24738	0.6
267.13504	0.9
283.16821	0.6
285.12262	0.6
285.14828	5.9
301.17712	1.0
302.14218	0.7
302.17493	7.1
303.13147	0.5
303.15891	5.3
311.16333	2.8
313.27359	10.1
323.16467	0.5
325.70157	0.5
328.18774	1.1
329.17447	9.1
341.17517	1.4
346.20148	9.2
347.18320	2.1
358.20300	0.7
376.21140	2.0
385.20010	1.6
402.22546	2.0
403.21030	1.7
420.23801	9.0
438.24716	1.1
543.20886	0.6
550.04327	0.5
582.29138	0.9
632.45270	1.4
658.46741	2.2
659.45044	3.0
676.47833	100.0
677.48340	5.8
718.48755	1.8
754.49054	1.7
784.49811	0.9
794.49823	1.1
802.50482	2.9
820.52332	5.4
838.53119	58.1
839.53705	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	836.4911
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04993	2.0
61.02909	1.7
62.99983	0.6
63.91334	0.6
65.36904	0.6
67.05505	5.1
69.03403	1.1
69.07059	2.3
69.36581	6.1
71.08639	0.7
73.02916	3.5
73.06543	2.3
75.43362	0.8
77.03931	1.2
79.05499	9.8
81.03425	5.0
81.07047	5.6
82.03841	0.8
83.05007	0.9
83.08621	2.4
85.02914	1.3
87.04472	18.1
89.06031	81.4
91.05485	14.0
93.07057	5.0
95.04961	3.6
95.08588	4.6
97.02896	1.6
97.06556	1.4
97.10146	0.9
98.21494	1.0
103.05467	18.7
105.07034	100.0
106.07332	1.3
107.04963	1.5
107.07070	1.5
107.08566	2.0
109.06517	0.9
109.10147	1.5
117.07037	1.6
117.09155	1.6
119.04948	1.7
119.08578	2.6
121.06506	1.3
121.10165	3.4
123.04500	1.2
124.53542	0.8
128.06238	1.2
129.06998	4.9
130.08633	1.3
131.04846	1.0
131.07036	5.7
131.08549	7.2
133.08606	48.4
133.10207	1.8
135.04448	1.2
135.08078	1.2
137.05991	6.9
141.07030	0.9
143.08519	1.1
145.06482	2.7
147.04420	2.2
147.08049	1.5
147.11676	1.3
149.05972	1.5
149.09653	1.7
157.06532	0.8
157.10168	1.6
161.05977	2.7
163.07619	0.9
164.07048	1.1
165.03748	0.7
171.08086	2.5
173.06012	1.7
175.07535	1.2
175.09688	5.6
175.11147	1.2
177.07823	1.3
177.11221	20.0
177.12703	1.4
178.07784	1.1
179.08566	1.2
181.10197	1.3
187.07588	0.9
189.09071	0.8
193.10202	1.5
193.12254	1.5
195.08167	1.0
207.11768	1.8
211.13264	1.1
219.12212	1.6
220.08826	0.9
221.09718	1.2
221.13725	3.8
223.11206	6.9
241.72058	0.7
249.12738	19.5
250.13118	0.9
251.14346	3.1
265.16382	0.8
267.13776	1.4
301.15909	1.3
302.79114	0.8
311.16315	1.3
311.25946	1.8
325.15768	1.1
327.17426	17.0
327.21042	1.1
328.18689	1.5
329.17639	1.3
346.20251	1.8
371.20056	2.2
399.21967	1.2
405.22144	17.2
406.22577	0.8
415.22482	0.9
420.23764	1.2
431.23694	1.2
475.26575	2.6
503.28079	1.7
547.30225	1.7
565.31085	0.8
591.32788	2.1
593.33319	4.1
594.34100	0.9
630.43481	1.5
652.73907	0.8
656.45020	2.7
674.46252	21.4
679.38519	1.1
697.39490	17.2
698.40222	1.7
801.44928	4.3
818.49115	1.7
836.51324	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	836.3912
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	2.7
67.05504	6.9
68.99813	1.5
69.03435	12.6
69.07082	6.8
69.21200	6.7
69.21601	1.5
71.04994	9.3
73.02934	2.0
77.03475	0.8
79.05491	5.6
81.03419	13.9
81.07056	9.9
83.01341	0.9
83.04987	1.6
83.08620	2.9
85.02908	30.0
85.06548	69.1
87.00832	14.4
91.05476	6.0
93.07041	10.4
95.04986	1.3
95.08625	10.3
97.02898	10.4
97.06529	4.1
97.10172	1.0
99.04447	5.8
99.08104	1.2
105.01874	8.9
105.07036	18.6
107.08600	14.6
109.02891	14.4
109.10164	26.5
110.99584	0.9
111.08101	2.3
113.09636	1.0
117.01865	2.2
117.06973	1.5
119.07802	1.6
119.08584	17.8
121.06546	1.0
121.10150	45.5
123.08050	1.2
123.11703	9.5
125.09647	5.1
127.03922	27.0
129.01871	1.6
129.07057	1.5
131.08585	5.1
133.10132	16.4
135.11688	10.3
137.05917	0.9
137.09647	1.0
137.13327	1.1
139.11200	1.8
143.08588	2.9
144.09384	1.1
145.04976	6.5
145.10136	12.4
147.11691	11.4
149.13280	3.8
149.87256	0.9
157.10132	4.0
158.10825	1.4
159.02901	3.4
159.11694	17.8
161.09599	1.5
161.13269	15.1
163.11209	1.8
163.14836	5.1
165.12778	3.0
167.14363	1.1
169.04926	0.9
171.02911	1.2
171.11745	5.4
173.13278	33.1
175.14853	4.3
177.12762	3.5
179.14334	6.1
183.13831	9.2
185.13246	2.7
187.06015	1.0
187.14865	8.3
189.03983	1.8
189.16356	1.6
191.14397	1.4
197.15356	1.0
198.14114	0.9
199.14839	4.8
201.16400	3.5
203.17970	6.8
205.15799	1.3
213.03952	5.5
213.16354	7.4
215.17912	0.8
217.15909	2.1
217.19560	1.7
221.19049	1.9
227.18005	4.8
227.20023	0.9
229.19539	19.4
231.05055	6.4
231.17509	5.0
241.19482	2.5
243.21152	2.7
245.19118	2.3
247.20593	6.5
247.51695	0.8
249.06102	2.0
249.18558	3.2
259.20718	1.2
269.22656	21.1
271.24106	1.1
273.06119	3.7
285.22061	1.8
287.23703	100.0
288.23990	3.1
305.24756	47.6
323.25848	14.4
324.26456	1.2
339.07306	1.5
377.24890	1.1
395.25894	2.0
461.09399	2.3
479.10376	1.0
481.25424	1.7
499.26755	2.9
517.27832	2.8
535.29004	4.5
584.63220	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.3907
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	2.6
64.10466	0.9
67.05504	7.7
67.70000	0.9
68.99803	2.3
69.03431	23.0
69.07069	8.6
70.36029	3.3
71.04991	10.0
73.02919	3.5
79.05488	4.6
81.03420	23.5
81.07063	11.2
83.04960	1.4
83.08624	6.1
85.02911	48.9
85.06547	100.0
86.06862	1.1
87.00836	21.0
87.04469	1.3
91.03932	2.0
91.05482	5.6
93.07048	9.9
95.04977	2.2
95.08620	16.3
97.02895	21.8
97.06535	8.6
97.10145	1.4
99.04461	9.7
99.08096	2.2
103.07585	1.9
105.01873	15.2
105.07039	16.4
107.04992	1.1
107.08598	15.9
109.02885	29.8
109.10166	29.2
111.04428	1.3
111.08073	3.0
113.09658	1.5
117.01863	1.9
119.08584	24.0
121.10149	27.1
122.88428	0.9
123.11706	7.4
125.02341	1.9
125.09578	2.1
127.03922	44.1
128.04292	1.3
129.01828	2.2
131.08577	7.1
132.73230	1.0
133.10136	25.7
133.11113	1.9
135.11703	12.1
139.11171	2.4
143.08597	3.1
144.09273	1.5
145.04935	8.8
145.10129	14.8
147.02896	1.5
147.11694	15.8
149.13242	4.5
151.03896	1.4
151.11177	1.1
157.10156	4.9
158.10873	1.9
159.02927	5.0
159.11705	27.4
161.13255	23.9
163.11179	1.3
163.14810	2.4
169.04929	2.1
171.02890	1.9
171.11676	5.6
172.12419	1.5
173.13261	21.9
175.14835	9.7
177.12775	4.4
177.16467	1.9
179.14365	5.2
185.13249	4.2
187.06050	2.2
187.14810	13.0
189.03951	4.6
189.16414	4.4
191.14278	2.7
192.06407	1.0
193.05022	1.2
193.15881	2.1
199.14854	4.2
201.16428	8.3
203.17966	4.2
205.15965	2.1
207.17429	1.2
213.03957	9.1
213.16391	6.3
215.18021	3.7
215.20375	1.0
217.15881	3.8
217.19478	2.7
219.17438	9.6
227.17941	6.5
229.19542	33.9
230.19934	1.1
231.04979	11.2
231.17435	2.4
233.19006	1.7
235.05798	1.0
235.20505	1.8
237.18513	1.8
241.19374	2.3
243.21092	2.0
245.19116	1.8
247.20570	15.6
249.06052	3.7
255.05240	1.0
269.22653	34.8
273.06055	12.5
287.23709	75.6
288.24088	2.7
305.24753	80.0
306.25055	3.6
323.25818	85.1
324.26083	3.2
339.07059	3.7
357.07889	1.8
402.62616	1.0
409.93896	1.0
413.27231	1.1
443.08093	1.8
461.09238	4.4
499.26581	2.3
517.27930	3.6
535.29193	2.6
553.29962	1.6
735.97913	1.2
737.60413	1.1
756.42731	1.4
836.42126	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.4836
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02814	4.3
61.03157	0.9
65.03833	1.8
65.04139	0.7
67.05386	13.2
67.05787	2.9
69.03308	3.0
69.06947	3.9
71.04900	1.2
71.18317	1.4
72.26458	0.5
73.02797	2.1
73.06483	0.6
77.03825	0.6
79.05367	13.3
79.05876	2.0
81.03288	21.6
81.03822	3.5
81.06923	13.4
81.07455	2.0
83.04856	1.5
83.08508	1.3
85.02773	4.1
91.03812	1.9
91.05346	22.9
91.05971	2.4
91.06293	0.9
93.06902	14.9
93.07551	1.6
95.04831	3.5
95.08465	11.2
95.09121	1.2
97.02747	4.0
97.06382	2.3
103.05322	1.7
105.04377	0.6
105.06877	6.6
107.04809	1.8
107.08449	4.8
109.06416	1.2
109.10008	4.5
115.05325	1.0
117.06847	2.5
119.04792	3.9
119.08418	13.1
121.06346	4.5
121.10143	4.0
123.04269	4.5
123.07952	1.2
128.06068	0.9
129.06827	2.0
131.04840	1.0
131.08411	2.8
133.06325	2.1
133.09973	2.4
135.04398	3.6
135.07910	1.1
135.11571	1.4
135.31265	0.6
137.05988	24.1
137.06940	1.5
137.09610	5.9
141.06883	0.6
145.06334	1.8
145.09956	1.7
147.04411	6.1
147.08034	5.0
147.11560	1.2
149.05969	4.6
149.09526	1.3
149.13097	0.8
153.77087	0.5
154.08566	1.1
155.08411	0.6
157.06357	1.2
157.10008	1.0
159.07848	1.5
161.05983	8.4
163.07579	2.6
164.06970	0.9
165.09106	7.5
171.08008	0.8
173.05992	5.9
173.13168	0.7
175.07562	3.4
175.11037	0.9
177.07700	0.8
182.07317	0.5
183.07863	1.3
183.10178	2.6
185.05859	0.7
185.09502	0.7
187.07571	3.3
187.11221	0.6
189.08974	1.2
191.06763	0.6
193.08592	0.6
195.07860	1.0
197.09564	1.3
199.07396	1.7
201.09088	1.1
203.06805	0.7
211.11176	0.7
213.09024	1.2
215.10510	1.7
229.12029	1.7
235.10995	0.6
237.12529	0.6
239.10571	0.9
255.13762	0.9
257.09735	0.5
257.11737	5.2
265.12085	0.7
267.13614	0.8
269.11481	0.8
274.14249	1.1
275.12796	2.6
283.13171	2.5
289.87839	0.5
300.15793	1.0
301.14316	7.0
307.22626	1.6
318.16956	5.2
319.15082	1.7
329.17471	0.6
331.15021	0.7
335.25830	3.7
348.17868	0.8
374.19540	0.9
392.20703	7.3
410.21689	1.2
517.33173	0.9
554.25635	0.9
626.40802	1.6
652.41968	5.9
653.40491	1.4
670.43134	100.0
671.43372	6.7
706.64111	0.6
712.44531	1.4
748.43903	1.5
778.45477	1.5
788.46198	1.1
796.45825	2.9
814.47449	5.7
832.48474	40.9
833.48254	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	831.4703
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05000	1.7
61.02928	8.0
67.05500	4.8
67.68362	0.5
69.03428	4.7
69.07117	0.7
71.01365	0.8
71.05007	0.9
71.08624	2.8
71.49639	1.1
73.02917	5.6
77.65224	0.5
79.05495	0.9
81.03422	2.1
81.07061	2.3
81.91299	0.5
83.08621	1.1
84.09987	0.6
85.02913	7.7
85.10197	1.3
87.04502	0.7
89.06052	0.5
91.03950	4.8
91.05493	1.6
93.07107	1.3
95.04990	0.6
95.08585	3.1
97.02894	7.6
99.04483	1.7
101.02392	2.8
103.03933	0.9
105.07023	1.1
109.02899	0.9
109.10168	4.0
119.08559	0.7
122.15788	0.5
127.03947	2.2
135.11745	0.7
169.08574	0.5
173.11710	1.0
184.07468	0.8
185.04297	1.5
195.09897	0.7
203.05328	0.9
229.14355	0.5
243.08504	2.1
251.18246	0.6
313.27560	1.2
347.09534	1.5
365.10635	0.9
405.13623	5.6
413.17825	6.1
478.02176	0.6
497.30859	7.0
497.38010	0.7
575.23383	4.0
659.36194	9.3
659.46191	0.9
669.42072	2.8
670.42383	0.6
831.47101	100.0
832.47223	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	832.4837
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02846	6.0
61.03184	1.1
65.03883	1.2
67.05422	18.0
67.05819	2.0
69.03343	3.1
69.06983	3.6
70.93839	0.9
70.94188	0.7
71.04937	1.2
71.05269	0.6
73.02829	2.6
79.05401	22.1
79.05907	1.9
81.03323	18.3
81.03857	1.7
81.06967	19.3
81.07476	1.2
83.04893	2.0
83.08610	5.2
85.02811	5.6
87.04408	0.7
91.03869	2.5
91.05385	22.8
93.07051	20.6
93.07568	1.5
95.04871	6.8
95.08509	10.7
97.02796	5.7
97.06435	1.9
97.10130	1.3
99.07995	0.8
103.05387	1.2
105.04408	1.2
105.07033	10.1
107.04970	3.5
107.08609	7.5
109.06416	1.8
109.10167	5.3
111.07997	1.7
115.05357	1.1
117.07036	3.1
119.04937	3.6
119.08598	8.5
121.02821	0.7
121.06409	2.7
121.10160	10.5
123.04417	4.8
123.07955	0.7
123.11643	1.5
124.58078	0.7
125.09544	0.7
129.07011	3.2
131.04826	1.2
131.08559	6.4
133.06377	2.6
133.10133	5.3
135.04449	3.2
135.11626	1.3
136.06067	0.8
137.05977	21.4
137.09529	1.5
141.06932	0.7
143.08519	0.8
145.06561	3.3
145.07487	0.8
145.09990	2.5
147.04425	5.0
147.07951	2.4
147.11708	4.1
149.05989	5.3
149.09616	3.9
149.13200	1.2
151.07497	0.6
155.08420	1.1
157.06451	1.2
157.10143	2.9
159.08008	1.5
159.11710	1.2
161.06003	7.3
163.07567	3.6
164.07069	0.7
165.09042	1.7
165.12646	1.1
171.07976	1.5
173.05995	4.9
175.07578	6.3
175.11171	3.4
183.07950	1.4
185.05927	1.0
185.09578	1.1
187.07512	4.3
189.09019	2.8
191.06970	0.9
193.12234	6.2
195.07953	1.0
195.13580	0.9
197.09554	1.5
199.07428	2.3
201.09016	2.2
203.10443	0.7
205.08427	0.6
209.09488	0.9
211.07448	1.1
211.11317	0.7
211.13171	2.5
213.08914	1.1
215.10501	1.3
227.10603	0.9
229.12163	0.8
257.11578	0.8
257.15329	2.6
267.13705	0.9
285.14966	3.8
301.17834	1.1
302.17532	4.5
303.15866	2.2
307.22720	9.5
311.16541	1.4
323.16339	0.9
328.18893	0.8
329.17450	6.4
341.17496	1.0
346.20065	4.7
347.18497	1.2
358.20078	1.0
364.21219	0.8
376.21310	1.0
402.22516	0.7
420.23669	3.4
438.24945	1.6
469.27927	1.7
626.40369	1.7
652.42157	2.8
653.41113	1.2
670.43158	100.0
671.43481	7.3
712.44177	1.1
748.44476	1.4
796.46637	3.3
814.47266	4.6
832.48438	40.7
833.49091	4.7
850.64844	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4504
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04994	0.8
61.02928	5.7
65.03944	0.6
67.05229	0.5
67.05512	5.7
69.03421	4.0
69.07076	3.6
69.29552	5.0
71.01316	0.5
71.04989	0.9
71.08649	0.6
73.02914	4.3
73.06561	0.6
73.80578	0.5
79.05498	7.1
79.34927	0.5
80.70641	0.5
81.03412	2.8
81.07043	6.2
83.05000	0.9
83.08619	0.7
85.02905	4.7
85.06521	0.5
87.04472	2.2
89.06027	10.4
91.03965	2.3
91.05482	7.4
93.07040	5.2
95.04967	1.9
95.08602	4.2
96.08920	0.7
97.02885	4.3
97.06540	0.7
99.04442	0.7
101.02398	1.2
103.05487	1.8
105.06316	1.1
105.07030	21.8
107.04977	1.8
107.08617	2.0
109.02890	0.8
109.06538	0.8
109.10171	1.4
111.08112	0.6
115.05408	0.6
117.07036	1.7
119.08581	3.2
121.06517	3.7
121.10159	1.5
123.04485	0.5
123.08073	1.1
127.03915	1.1
129.05525	0.6
129.07008	1.5
131.07150	0.6
131.08595	3.7
133.08594	5.7
133.10179	1.6
135.08093	0.8
135.11758	0.7
137.06015	1.0
137.09628	1.4
143.08598	0.7
145.10098	0.8
147.08058	8.5
149.09647	2.5
150.05548	1.9
165.09163	0.5
175.07481	0.7
177.11206	1.4
181.10161	0.6
185.04378	0.7
193.04933	1.0
193.12387	0.9
203.24310	0.6
225.12672	3.9
243.08376	3.3
249.12965	0.7
251.14435	0.9
283.51108	0.7
313.17770	0.7
331.18951	1.6
333.20441	0.6
373.21597	0.7
411.16138	0.7
439.19238	0.7
451.18588	0.6
503.22391	0.8
521.23529	1.6
523.25140	7.8
531.25854	1.0
549.26947	1.0
551.28497	2.3
595.27258	0.9
670.42694	2.9
733.37775	2.6
813.43890	10.2
814.43762	0.9
831.44910	100.0
832.45172	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	831.45
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05006	6.7
61.02934	4.2
62.72695	0.6
67.05505	6.4
68.67224	0.6
69.03430	4.3
69.07072	5.3
71.01374	0.6
71.04999	0.6
71.22096	1.2
72.07670	0.6
73.02927	3.2
73.67863	0.5
79.05494	9.5
81.03419	5.2
81.07053	7.1
83.04983	1.4
83.08614	1.3
85.02919	4.8
86.09739	1.1
87.04503	0.7
89.06043	0.9
91.03969	2.7
91.05480	7.8
93.07051	5.1
95.04967	1.9
95.08608	4.6
97.02905	5.3
97.06551	1.7
97.10163	0.8
101.02397	1.9
104.99249	0.6
105.07030	4.3
107.04974	1.2
107.08585	3.9
108.59940	0.5
109.02913	0.8
109.06493	1.0
109.10155	1.8
111.08139	0.5
115.07607	0.5
117.07035	1.7
117.09155	3.0
119.04958	0.8
119.08579	3.8
121.06509	1.1
121.10170	2.3
123.04451	0.6
123.08096	1.0
125.09699	0.6
127.03937	0.6
127.15834	0.6
129.07025	1.4
131.08578	1.9
133.10147	1.4
135.04407	0.8
135.08101	0.7
137.06007	2.6
137.09610	0.9
141.06903	0.7
145.10159	1.2
147.04370	0.8
147.08087	0.9
147.95753	0.6
149.09683	1.6
150.05542	2.2
151.06187	1.0
153.09154	0.8
159.11667	0.8
161.06059	1.2
163.07579	0.7
164.07091	0.7
165.09216	0.8
184.07422	1.1
187.07538	0.6
199.14635	0.6
233.79265	0.6
243.08351	4.2
326.49850	0.7
331.18701	1.1
335.25998	1.0
521.23633	1.7
523.25146	3.9
526.11804	0.5
549.26752	2.2
551.28436	2.2
641.85309	0.7
652.42456	0.8
659.46204	0.6
669.41730	1.1
670.43115	7.6
689.92841	0.7
831.44946	100.0
832.46350	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
65.43878	0.2
67.05497	0.2
69.07046	0.3
71.48782	0.2
79.05493	0.2
85.02895	0.4
91.00696	0.2
91.05482	0.5
96.08139	0.5
97.06532	0.7
98.98422	0.2
105.07038	0.3
117.07034	2.9
119.04860	0.2
119.08582	1.6
124.07572	0.4
129.06941	0.2
131.08591	0.3
132.00520	0.2
136.07558	0.4
136.99498	0.2
137.06023	1.1
143.08553	1.2
145.06506	0.8
145.10143	0.7
147.08086	0.4
155.08578	1.8
157.10139	0.4
169.10130	0.2
173.05978	2.7
173.09630	0.3
182.10916	0.4
183.11629	0.6
188.10756	0.4
196.07657	0.2
197.13214	1.3
200.10680	0.3
207.11684	0.6
214.15866	0.3
216.10204	29.5
217.10524	0.7
225.12698	1.2
228.10243	0.4
233.11748	0.5
242.15370	0.4
250.14423	0.3
253.12230	2.5
264.15964	0.5
270.14905	19.3
271.15161	0.5
302.17511	100.0
303.17853	3.3
337.34979	0.2
584.72461	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4497
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04996	2.0
61.02936	4.4
65.03954	0.6
67.05513	5.8
69.03439	2.7
69.07080	5.4
69.46103	0.4
69.51552	3.4
71.01365	1.0
71.05013	1.1
73.02932	2.8
79.05499	6.8
81.03426	4.8
81.07055	7.5
83.05002	0.9
83.08621	1.1
85.02913	4.9
85.06516	0.6
91.03963	1.9
91.05489	6.9
93.07047	6.2
95.04990	1.6
95.08614	3.9
97.02902	4.6
97.06555	1.4
99.04479	0.7
101.02397	1.9
104.93545	0.5
105.07042	4.2
107.04985	0.9
107.08591	2.8
109.06493	0.7
109.10175	2.0
115.69386	0.5
117.07035	1.8
119.04979	0.8
119.08587	3.1
121.06542	1.7
121.10155	1.9
122.06063	1.4
123.08103	1.6
125.09674	0.8
127.03944	1.7
129.07060	0.9
131.08589	2.9
133.06435	0.6
133.10152	1.2
135.04416	0.7
135.08086	1.0
135.11674	1.0
137.06018	2.5
137.09641	1.1
143.07123	0.5
143.08595	0.8
145.10205	0.9
147.04460	0.5
147.08057	0.6
147.11751	0.6
149.05963	0.7
149.09636	1.3
150.05544	3.4
151.06328	4.1
159.11745	0.6
161.06030	1.4
165.09166	0.9
169.10155	0.5
173.06087	0.6
173.09615	0.5
175.07492	0.5
184.07445	0.7
185.04234	0.5
203.05290	0.7
211.07425	0.5
223.13362	0.8
243.08379	4.1
275.12833	0.6
297.19379	0.5
303.06879	0.7
305.17435	0.7
313.09009	0.7
315.10541	0.6
331.18866	0.6
333.20551	0.6
335.25970	0.7
359.18631	0.6
389.23047	0.6
521.23682	3.8
523.25024	4.0
549.26868	2.2
551.28510	2.5
616.43573	0.6
642.41693	0.5
652.42822	1.0
669.42017	2.8
670.43250	9.4
814.47803	0.9
831.45007	100.0
832.46069	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	830.4678
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93019	0.4
66.42454	0.4
67.05497	3.9
69.07060	0.7
71.04982	0.4
79.05507	2.8
80.05034	3.3
81.03407	0.9
81.07060	3.1
83.08629	0.6
88.76714	0.4
91.05498	2.4
93.07050	2.9
94.06578	10.9
95.03690	0.4
95.04954	0.7
95.07356	12.8
95.08615	2.8
105.07045	1.2
106.06540	1.6
107.08607	1.4
108.04485	3.3
109.10164	1.0
110.06049	0.7
117.07066	0.9
119.08581	1.3
121.10158	1.5
122.06036	37.5
123.06827	21.7
124.07636	0.7
129.07033	0.4
131.04878	0.5
131.08591	0.9
132.08055	0.4
133.10172	0.5
134.06000	2.8
135.08022	0.7
135.11668	0.5
136.06140	0.5
137.06046	0.9
149.06023	0.8
150.05515	54.7
151.06297	100.0
152.07077	9.0
162.05489	0.4
164.07034	1.2
171.11685	0.4
173.13283	0.5
183.10262	0.5
184.07440	0.4
190.08594	0.5
218.08150	4.1
227.19943	0.6
231.29036	0.4
241.14320	0.5
270.14926	2.3
272.12964	0.5
288.15976	1.1
298.14389	1.7
316.15436	18.3
317.16077	0.5
334.16492	7.0
335.25894	2.9
390.19150	16.3
391.19464	1.0
408.20197	19.5
409.20715	0.7
650.40472	9.6
668.41589	60.4
669.41748	3.9
830.45587	0.8
831.44861	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.5095
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04998	1.8
61.02928	5.8
65.03948	2.4
67.05506	23.2
68.05849	2.3
68.87104	0.9
69.03429	3.7
69.07076	15.7
69.84486	4.7
70.07406	2.0
71.01360	1.3
71.05003	1.6
73.02554	0.8
73.02904	5.3
79.05495	24.7
80.05831	3.4
81.03432	7.5
81.07059	49.2
82.07391	6.6
83.04973	1.5
83.08629	2.1
85.02902	9.9
85.06541	1.2
86.09709	1.5
91.03970	3.5
91.05486	11.7
92.05841	1.6
93.07056	15.9
95.04993	3.3
95.08611	14.4
96.08961	1.7
97.02911	6.8
97.06519	5.5
97.10185	1.9
99.08083	1.5
101.02374	1.5
105.04496	1.1
105.07043	7.6
106.07299	1.0
107.08595	11.7
109.02861	0.9
109.06539	2.7
109.10168	7.6
115.03918	1.2
115.05459	1.1
115.07619	2.6
117.07005	5.1
119.08610	5.4
121.06551	1.0
121.10142	5.3
122.10465	2.1
123.08072	1.8
123.11751	1.6
125.09621	1.5
127.03920	1.6
127.07608	2.5
128.07861	0.9
129.05525	1.2
131.08604	4.1
133.10184	2.6
135.08028	5.4
135.11732	3.7
136.08344	1.4
137.09662	1.7
145.08731	1.4
145.10147	2.7
147.11713	2.0
149.13298	1.9
159.11757	2.1
161.13297	1.7
163.07610	1.9
173.13271	1.2
184.07368	1.9
199.09686	2.0
201.11194	10.6
202.11617	3.4
203.05353	1.0
233.70370	0.9
243.08586	2.5
261.22263	3.9
262.22498	1.6
273.13519	2.9
274.13812	1.5
307.22891	1.5
333.20557	2.4
335.25809	15.5
336.26169	13.4
371.20691	2.9
372.21259	2.0
461.32678	1.9
462.33057	2.9
519.29193	7.0
551.28271	2.6
632.43011	2.1
708.06610	1.2
710.44861	1.1
829.50677	100.0
830.50684	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	830.4253
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06610	4.9
58.47293	3.2
59.05003	17.3
60.08162	3.9
67.05505	68.2
69.03423	13.8
69.07082	28.1
71.04981	4.2
71.49562	4.6
73.06553	9.8
76.37978	3.5
77.03962	3.8
79.05492	65.8
81.03430	24.0
81.07059	84.6
83.04980	4.9
83.08611	9.2
85.02911	13.7
85.07665	3.6
86.06098	4.6
86.09700	10.5
87.00789	4.2
89.06025	6.4
91.05488	44.9
93.07048	70.5
95.04967	11.5
95.08613	50.1
97.02895	39.9
97.06550	10.3
99.04458	6.7
99.08093	6.4
100.14673	3.2
102.99627	3.8
105.04513	5.0
105.07015	33.9
105.96577	4.3
106.06557	100.0
107.04910	5.8
107.08593	39.5
109.02910	4.7
109.06561	4.2
109.10162	27.6
111.04439	8.9
115.07510	4.8
117.07024	20.5
117.09166	4.0
119.08587	20.1
119.16077	4.1
121.10155	26.6
123.08062	4.3
123.11718	13.2
124.81108	3.6
124.99969	5.5
127.03922	10.4
127.07521	3.7
131.08575	22.5
132.04807	10.6
133.10133	19.2
134.06033	6.0
135.08049	6.5
135.11676	26.5
137.13223	3.3
143.08617	4.6
145.10159	12.3
147.11713	11.6
149.13260	14.4
157.10141	9.3
159.11765	10.4
161.13252	10.3
163.11211	7.1
163.14790	11.2
173.13226	12.5
183.11613	3.5
184.07358	31.1
185.13333	7.7
187.14795	5.7
199.14890	4.1
201.11243	9.6
208.05452	5.8
217.10123	9.6
219.17575	3.6
231.04982	11.8
243.21092	12.2
250.10176	5.1
259.20593	5.9
261.22113	43.6
277.21579	6.5
280.11304	5.4
289.21548	4.3
297.76556	4.0
301.21503	6.4
315.23315	4.1
327.23157	5.3
335.25800	16.2
369.24289	21.1
387.25082	20.7
405.26413	10.1
509.27740	8.8
830.51788	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	829.4351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05007	2.7
61.02924	5.8
65.03949	0.8
67.05509	8.9
69.03442	4.9
69.07071	5.4
70.57464	1.5
71.01340	0.7
71.05000	1.3
71.74712	0.8
73.02928	3.4
79.05499	8.3
81.03429	5.5
81.07065	9.1
82.40602	0.8
83.04991	2.2
83.08633	3.1
85.02911	4.0
87.04453	0.8
91.03976	1.7
91.05489	7.7
93.07053	6.7
95.05001	3.0
95.08612	7.9
97.02885	4.5
97.06537	1.5
97.10177	1.7
98.47491	0.8
99.04472	0.9
99.08115	1.0
101.02412	1.4
103.05512	0.9
105.07046	3.8
106.07455	1.0
107.04990	2.6
107.08578	3.8
108.49906	0.8
109.02921	1.2
109.06551	1.2
109.10187	1.8
117.07028	2.1
117.09134	0.8
119.08589	4.9
121.06519	1.8
121.10190	2.4
123.08112	2.8
125.09649	1.3
127.03968	1.7
128.12546	0.7
129.07045	1.3
131.08592	1.8
133.06549	1.5
133.10158	2.6
135.08054	1.6
135.11736	1.4
137.06038	2.9
137.09688	2.7
143.08594	1.8
145.06528	1.7
145.10144	1.6
147.08125	1.6
147.11708	0.8
149.09671	1.7
157.10155	1.6
159.08061	1.3
159.11760	1.2
161.06030	1.5
163.07581	1.1
167.10689	1.7
173.05971	0.9
175.07605	0.8
175.11308	0.9
177.09239	0.9
184.07353	1.6
185.04239	0.9
200.78697	0.8
201.12840	1.1
205.89687	0.7
223.13324	1.9
232.31110	0.8
243.08405	4.4
285.14752	1.4
291.19595	1.0
301.09158	1.6
302.17584	1.0
303.15396	0.9
331.18964	1.7
335.25925	1.1
379.52750	0.8
402.22833	2.0
403.22900	1.6
423.16650	1.2
503.22565	2.2
521.23602	5.7
549.26862	6.0
614.41217	1.2
656.45404	2.5
657.45514	11.4
691.28998	0.9
731.35883	1.3
811.42322	8.5
829.43402	100.0
830.43542	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	828.5104
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	2.5
65.03923	5.5
65.61922	2.0
67.05506	86.5
69.03436	11.3
69.07070	71.1
69.51198	13.7
71.04987	9.6
73.02905	4.2
79.05495	100.0
81.03419	19.5
81.07056	87.9
83.04974	17.0
83.08620	17.6
85.02892	9.9
85.06546	4.9
86.09711	4.3
91.05484	87.5
93.07048	76.9
95.04953	17.3
95.08607	50.1
97.02878	9.9
97.06540	30.6
97.10150	8.4
99.04443	3.0
99.08081	7.5
103.05453	3.7
105.04535	3.1
105.07035	60.3
107.04952	21.5
107.08596	61.5
109.02847	2.3
109.06517	12.6
109.10143	19.3
111.08070	8.2
113.05979	2.6
115.05452	4.4
115.07576	2.5
116.74709	2.3
117.07018	30.2
119.08588	43.1
121.06502	9.3
121.10145	35.0
123.08052	7.4
123.11650	3.9
125.05997	5.4
125.09601	13.9
127.03928	4.8
128.06197	4.7
129.05507	4.8
129.06990	14.1
130.07808	2.8
131.04912	2.5
131.08557	41.2
133.06465	3.1
133.10138	42.0
135.08064	27.4
135.11691	15.5
137.05972	2.9
137.09608	11.5
139.11191	4.4
141.06978	5.7
142.07806	4.0
143.07028	13.0
143.08574	16.7
145.06477	3.4
145.10143	37.3
147.08020	5.9
147.11682	12.5
149.09616	42.4
149.13261	8.4
151.11224	6.1
153.09143	4.1
155.08537	7.7
157.10158	10.0
159.08096	4.1
159.11714	20.9
161.08105	2.5
161.09615	5.9
161.13243	9.7
163.03894	3.1
163.11174	14.6
165.09073	3.2
167.08591	3.5
167.10698	3.8
169.10114	11.4
171.11685	8.0
173.04526	3.1
173.09657	5.0
173.13191	11.8
177.09088	4.5
177.12788	3.6
179.08527	3.5
181.10129	4.4
183.11703	8.8
184.07318	6.1
185.13277	8.9
187.11177	5.2
187.14914	5.2
189.11234	3.8
189.12810	3.9
190.60948	2.5
195.11894	2.4
195.13660	4.5
197.13248	4.5
199.09650	14.4
201.16412	13.2
209.13350	2.6
211.14880	5.5
217.10703	2.4
219.17395	4.2
227.12778	20.5
229.15944	20.0
229.19452	3.4
230.08051	2.5
239.17973	3.2
241.14330	18.6
247.16949	19.2
247.20485	2.9
255.15929	7.7
257.19055	10.5
265.18002	3.2
269.17371	17.9
275.20096	33.7
293.20938	3.4
321.20648	29.1
331.22736	2.2
339.21594	4.7
342.17004	7.4
346.92068	2.5
349.23734	28.5
405.27548	3.0
407.23956	2.7
417.26501	2.8
421.25769	16.6
423.29001	2.4
435.27545	15.3
475.30719	3.4
497.32550	4.7
501.32129	7.6
515.33759	28.2
533.34406	5.3
595.39545	9.5
613.40509	6.2
648.39288	2.5
828.47528	6.6
829.43365	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	829.4336
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82243	0.9
59.05006	1.0
59.73265	0.7
61.02922	4.0
65.03934	0.9
67.05504	7.4
69.03426	3.9
69.07073	7.0
71.04999	1.0
71.08641	1.7
73.02914	3.7
73.06551	0.7
79.05489	9.7
80.05843	0.9
81.03429	4.3
81.07053	7.0
83.04993	1.5
83.08629	1.7
85.02899	3.3
85.35992	0.6
86.09713	1.3
91.03966	1.8
91.05479	8.1
92.05833	1.0
93.07059	5.6
95.04987	1.8
95.08598	5.0
97.02887	4.7
97.06528	1.8
97.10168	1.6
101.02393	1.9
105.07029	5.7
106.07411	0.8
107.04978	1.5
107.08576	3.6
109.06522	1.2
109.10174	2.3
113.76597	0.6
117.07029	1.7
119.08572	4.3
121.06559	1.0
121.10142	3.4
123.08075	1.3
123.11736	0.7
125.09658	1.7
127.03979	1.3
129.07037	1.3
131.08603	2.8
133.08580	0.8
133.10152	2.2
135.08101	2.6
137.06018	1.8
138.26773	0.6
143.07065	1.1
145.10161	2.3
147.08040	1.0
147.11708	1.6
149.09677	1.7
157.10181	1.1
159.11737	1.0
161.09688	1.0
163.03917	0.8
164.07085	0.8
171.11713	1.0
173.06024	1.3
173.09653	0.8
182.56970	0.7
184.07315	1.3
185.04152	0.9
191.07120	0.8
201.03734	0.7
223.13409	1.5
243.08374	4.0
248.25739	0.6
249.18340	0.7
291.19693	1.1
302.17621	1.5
303.07126	1.9
313.27158	0.9
453.42429	0.7
521.23706	7.7
549.26587	4.8
613.43225	3.3
656.45367	1.0
657.45428	5.5
657.70471	0.7
785.44885	1.7
829.43469	100.0
830.43939	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	828.5101
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04993	4.1
61.02927	4.4
63.62127	1.3
65.03949	2.8
67.05508	100.0
69.03427	4.3
69.07074	16.6
70.08623	5.3
71.01374	1.9
71.05000	4.8
73.02914	2.4
79.05496	67.2
81.03423	9.9
81.07060	63.1
83.04977	5.7
83.08620	10.6
85.02907	15.6
85.06536	5.0
86.09718	1.6
87.04452	4.8
91.05486	34.6
92.96812	1.5
93.07049	60.7
95.04974	7.0
95.08617	34.5
97.02904	4.8
97.06550	6.0
97.10179	13.7
99.08099	4.9
105.04508	2.1
105.07027	16.5
107.04944	3.1
107.08607	28.9
109.06523	5.4
109.10165	51.6
111.08070	4.6
113.06017	1.4
117.07043	10.9
118.34464	1.4
119.08587	15.7
121.09332	2.5
121.10153	31.6
123.08099	3.4
123.11701	3.8
123.12538	1.5
125.09634	14.7
129.05513	2.0
129.07036	2.5
131.08583	11.7
133.10155	9.9
135.08080	2.5
135.11693	19.9
137.09634	5.1
141.59499	1.3
142.04556	1.3
143.08601	1.8
145.10120	13.5
147.07986	1.6
147.11725	7.7
149.09570	2.2
149.13228	7.6
153.12770	2.3
155.10658	3.3
159.11678	8.6
161.13359	3.1
161.40184	1.4
163.11200	11.3
171.11671	1.9
173.11758	10.8
173.13287	4.2
175.14890	1.6
184.07381	4.0
187.14783	3.2
191.10718	2.4
193.86165	1.3
199.13283	6.3
205.19548	2.2
209.11720	3.4
211.13234	2.1
215.17976	16.4
226.59300	1.3
227.12782	4.7
229.14355	43.9
231.17413	2.1
233.19038	13.2
236.14931	2.3
251.02040	1.5
266.37314	1.5
267.16025	3.1
283.15417	3.2
301.16519	13.1
307.22681	91.4
308.23083	2.1
335.25818	2.0
394.89807	1.6
399.23801	14.4
449.32611	7.4
456.78674	1.4
461.32617	20.6
527.24274	1.4
533.34650	4.3
551.35925	4.5
631.42072	26.4
656.45935	1.9
663.03387	1.6
828.48859	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.5103
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05000	3.1
61.02927	3.6
65.03938	1.5
67.05509	36.2
69.03436	2.6
69.07071	36.0
69.69591	1.6
69.70011	3.3
71.01335	0.8
71.04992	2.0
71.08631	0.7
73.02907	2.1
73.06551	1.9
74.96597	0.9
75.37150	0.8
76.56672	0.7
77.03909	0.7
79.05495	34.2
81.03421	11.2
81.07059	100.0
82.07359	1.3
83.04986	2.6
83.08617	3.2
83.23249	0.8
85.02914	9.4
85.06533	1.0
86.09689	1.7
87.04474	0.8
91.03972	1.8
91.05486	18.0
93.07047	27.6
95.04970	3.7
95.08608	24.4
97.02895	3.0
97.06536	8.7
97.10181	1.3
98.20846	1.8
99.08102	4.7
103.03944	2.1
104.55717	0.8
105.04512	1.1
105.07035	11.4
107.04968	1.8
107.08595	15.3
109.06507	3.3
109.10161	9.4
111.04469	1.0
111.08125	1.9
115.05440	1.0
115.07555	4.4
117.07026	9.2
119.08594	8.8
121.06508	2.0
121.10155	10.5
123.08074	1.6
123.11693	2.7
125.09626	1.7
127.07568	9.2
129.05472	1.2
129.07007	1.5
131.08560	7.2
133.10176	6.4
135.08076	10.6
135.11728	6.7
137.09581	1.9
139.07545	1.0
143.07089	2.4
143.08496	1.1
145.08632	3.6
145.10028	4.4
147.11700	3.6
149.13258	4.2
153.09102	1.5
159.11696	4.3
161.13290	2.9
163.07500	4.6
163.14807	1.9
165.09172	1.7
171.10188	1.5
173.11964	0.9
173.13278	4.7
175.14781	0.9
181.08638	3.4
184.07350	3.1
187.14725	1.3
189.11125	1.0
199.09697	2.3
199.14888	1.1
201.11230	28.4
217.19586	0.8
239.12714	1.4
243.21129	3.5
255.12245	1.5
257.13882	0.8
261.22174	10.6
273.13327	8.2
315.23264	0.9
317.24933	1.4
327.23337	1.2
335.25818	55.7
336.26172	2.8
363.25137	0.9
370.81281	0.9
371.20599	10.1
398.33026	0.8
461.32611	6.4
470.94067	1.0
515.34497	0.9
519.29089	1.6
533.34576	1.9
551.35907	1.6
600.44611	1.0
614.43890	1.1
615.10651	1.0
631.42163	8.7
828.49542	1.2
829.50580	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	826.5155
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05009	4.0
61.02930	11.3
65.03951	1.0
65.88876	0.4
67.05508	67.8
68.05827	0.6
69.03427	2.3
69.07072	6.3
71.05005	2.5
71.08637	20.2
73.02917	3.9
79.05499	2.1
79.65186	0.4
81.03435	0.9
81.07060	17.9
83.04979	0.6
83.08626	11.4
85.02906	11.0
85.06555	2.0
85.10185	11.4
85.10579	0.2
87.04473	0.7
89.06031	0.9
91.03959	7.6
91.05494	4.6
93.07047	2.9
95.04992	0.7
95.08614	17.1
97.02896	6.7
97.10179	4.2
99.04446	0.8
99.08113	0.6
103.03922	0.5
103.07608	1.1
105.07006	0.6
107.08605	1.8
109.10162	71.2
110.10509	0.7
111.08118	2.6
111.11711	0.6
117.09155	0.7
119.08604	4.4
121.10106	0.6
123.11706	3.0
125.00022	0.5
125.09650	0.6
127.03905	2.7
127.11223	0.5
137.09624	3.3
137.13257	1.2
145.04936	2.8
145.10153	0.5
149.13339	0.5
155.10661	5.7
162.59216	0.4
163.06015	3.3
173.10258	1.0
173.11749	16.5
174.36157	0.4
184.07376	1.3
229.14362	76.8
230.14717	1.0
239.23705	2.0
257.24744	1.9
304.10785	0.4
307.76120	0.4
313.27377	81.5
314.27750	1.8
373.18457	0.7
467.37363	100.0
468.37640	4.9
611.42120	0.5
625.44519	0.4
826.45764	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.4647
Annotation	Unknow
Peak:m/z	Relative Intensity
61.79529	0.6
65.03960	0.8
67.05511	14.0
69.03440	1.2
69.07071	14.7
69.91368	0.7
71.04990	1.1
71.08638	3.3
72.60321	0.7
73.02923	1.1
79.05495	11.8
80.05013	1.8
81.03416	2.8
81.07061	13.4
83.04975	2.0
83.08620	13.2
85.02900	1.0
85.06554	1.0
85.10198	1.4
91.05476	10.2
93.07043	9.8
95.05004	1.8
95.08614	10.8
96.08964	0.8
97.02907	1.0
97.06003	0.7
97.06499	3.4
97.10177	8.3
98.98483	2.4
99.08083	0.8
103.05481	1.8
105.07028	7.7
107.04959	1.3
107.08610	5.1
109.06551	1.7
109.10165	3.3
111.08092	1.3
111.11742	1.6
115.05481	1.4
117.07042	4.2
119.04901	1.0
119.08574	4.0
121.06525	1.2
121.10171	4.2
123.04431	2.9
123.08093	2.0
123.11742	1.1
125.09692	1.3
127.07629	0.9
128.06226	1.2
129.07018	3.5
131.04938	4.9
131.08565	4.1
133.06493	1.9
133.10123	5.2
135.08044	1.4
135.11696	2.6
137.06007	6.2
141.07016	2.1
143.04935	1.7
143.08560	2.0
144.08051	0.9
145.06503	2.6
145.10159	2.6
146.05946	0.9
147.03163	0.7
147.04471	2.3
147.11713	2.1
148.05193	1.3
149.06000	9.1
149.09663	2.1
151.07545	1.5
155.08588	1.1
157.06477	1.9
157.10165	2.3
159.08069	1.8
159.11708	2.0
160.07552	1.7
161.05989	6.7
162.05548	6.3
162.06712	1.0
163.07603	2.1
163.11246	1.1
164.07071	18.2
169.06577	0.9
169.10112	1.7
171.11621	1.6
172.07599	1.2
173.05965	8.6
173.07109	0.7
173.09631	1.1
175.04036	0.7
175.06482	3.4
175.07574	4.7
176.07080	4.3
177.07849	28.8
178.08635	3.3
181.10153	0.9
183.08156	1.2
183.11635	1.3
184.07420	3.2
185.13286	1.0
186.09238	0.8
187.07614	3.6
187.14903	0.9
188.07094	3.4
189.07716	1.1
189.09172	1.6
190.08655	15.2
191.09341	4.6
199.07547	1.5
200.07022	1.4
201.09290	1.3
202.08643	5.2
203.09410	1.9
204.10292	3.2
214.08643	4.6
215.09402	6.5
216.10231	5.9
225.11148	1.4
228.10286	2.0
229.50679	0.8
230.11877	2.7
231.17505	1.3
237.22301	1.1
239.17902	0.8
257.15463	1.0
272.16492	1.4
274.18033	30.0
284.16620	1.0
286.14459	1.2
300.16003	3.8
302.17508	35.4
307.22833	1.8
311.25763	1.6
312.19513	0.9
314.17719	1.6
318.17175	1.3
320.18539	16.0
330.20779	1.6
332.18600	2.7
340.19168	2.7
344.18622	1.6
346.20120	7.9
356.18298	1.3
358.20151	26.6
358.24615	1.5
359.20773	1.8
360.21808	2.8
374.19809	2.1
375.20508	1.6
376.21182	9.8
384.22162	0.8
394.22168	2.0
402.22806	7.1
456.17932	1.1
584.44769	0.8
597.41638	1.0
612.42627	100.0
613.42828	5.6
630.44373	1.8
638.44147	17.9
656.45215	63.9
657.45660	3.9
674.45856	1.6
784.43933	32.0
785.44073	2.3
828.46521	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	826.4948
Annotation	Unknow
Peak:m/z	Relative Intensity
57.74297	1.1
61.02905	2.0
65.03961	7.7
67.05510	73.8
67.66988	1.2
68.99803	1.3
69.03447	8.0
69.07075	41.0
69.31950	11.8
70.19248	1.4
71.01368	2.8
71.04999	7.6
73.02930	2.3
73.06573	1.5
73.99265	1.3
79.05498	80.0
81.03432	15.6
81.07060	100.0
82.07381	2.1
83.04989	13.8
83.08625	10.1
85.02898	4.7
85.06536	6.9
86.09735	1.6
89.04996	1.2
91.05488	69.5
93.07051	62.8
93.07642	2.8
94.07375	1.8
95.04458	1.5
95.04983	16.3
95.08613	79.0
97.02877	5.1
97.06534	15.6
97.10178	3.1
99.04453	2.9
99.08102	4.3
103.05476	2.7
105.04532	2.7
105.07041	63.8
106.02010	1.2
107.04957	19.0
107.08598	44.8
109.02866	3.5
109.06517	12.2
109.09485	2.3
109.10171	33.8
111.04418	2.5
111.08064	5.2
113.06021	1.3
115.05450	5.5
117.07038	22.1
119.08591	26.3
121.06522	13.4
121.10152	20.0
123.04456	3.3
123.08078	36.9
123.11700	5.9
125.09608	3.4
127.03945	2.1
127.07531	2.6
128.06224	4.4
129.05496	2.5
129.07019	9.2
130.07794	3.3
131.04959	2.4
131.08577	24.4
133.06503	8.5
133.10143	50.2
135.08063	22.5
135.11722	9.2
137.06023	1.6
137.09634	7.7
139.07553	2.3
139.11197	2.4
141.07013	4.1
141.09094	3.8
142.07802	2.6
143.07042	4.0
143.08565	8.9
145.06479	2.4
145.10118	20.9
147.08037	6.7
147.11700	7.7
149.05992	4.8
149.09636	24.7
149.13257	4.5
151.07561	17.0
151.11203	23.0
153.09088	2.4
155.08568	3.5
157.10152	6.8
159.08044	3.9
159.11699	8.8
161.08386	1.9
161.09622	10.4
161.13266	3.3
163.03857	1.5
163.07549	1.8
163.11200	5.7
165.09123	3.6
165.12766	1.3
167.10750	1.9
169.08839	1.5
169.10152	5.8
169.12216	3.6
171.10292	1.6
171.11688	4.4
173.04434	1.9
173.09630	2.8
173.13222	4.7
175.11186	2.2
177.09157	2.5
177.12796	2.5
179.10632	2.2
181.10129	1.6
183.10124	2.4
183.11620	3.2
184.07364	6.2
185.13278	4.8
187.11206	3.3
187.14809	3.6
189.12769	1.9
195.13800	2.7
199.09682	9.5
199.14813	5.2
201.12833	1.7
201.16376	6.9
211.14815	3.9
217.15901	4.2
219.17357	2.2
221.94531	1.6
223.09695	2.9
225.11238	53.9
227.12622	3.0
227.14529	2.5
227.17914	2.1
229.15930	9.0
235.16867	2.6
241.14395	6.0
243.12186	1.7
245.15469	9.0
245.19003	1.8
247.16951	12.3
253.14371	56.4
255.15672	1.5
257.19061	3.1
263.16461	5.6
269.17523	12.5
271.15567	3.0
273.18484	12.0
275.20081	8.3
284.12534	1.9
291.19525	14.1
319.18976	4.6
321.20508	17.3
337.20102	14.2
339.21591	1.7
347.22302	4.0
349.23935	6.4
365.23328	15.8
419.24100	3.0
423.24258	3.5
437.25464	10.8
453.25992	1.9
499.30511	4.1
513.32367	6.4
517.31598	17.1
531.33173	28.4
593.37927	2.8
611.39624	10.8
629.40985	3.3
654.43793	2.5
664.38495	2.2
826.42047	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	826.4948
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66681	1.5
61.02910	3.2
65.03939	7.6
66.78715	1.6
67.05508	81.6
69.03156	1.7
69.03439	16.4
69.07071	79.2
70.90081	1.8
71.01351	2.4
71.05001	8.4
73.49728	1.6
77.03917	2.3
79.05495	100.0
81.03429	21.2
81.07060	86.8
83.04980	13.7
83.08626	15.3
84.52196	1.5
85.02897	5.4
85.06533	6.4
86.09690	7.2
91.05486	78.7
93.07047	84.8
95.01302	1.8
95.04983	17.2
95.08611	46.7
97.02893	15.4
97.06534	18.4
97.10181	10.9
97.39709	1.7
99.04431	2.5
99.08077	4.7
103.05450	4.0
105.04527	3.2
105.07043	55.2
107.04958	26.6
107.08601	47.3
109.02843	2.4
109.06514	12.3
109.10169	17.0
110.71234	2.1
111.04448	2.1
111.08111	3.5
111.36377	1.8
115.05447	3.9
116.06247	3.7
117.07023	29.6
119.04947	2.9
119.08593	46.4
121.06503	10.8
121.10155	52.8
123.04446	2.2
123.08083	17.6
123.11729	3.6
124.99994	4.3
125.05979	5.2
125.09610	9.7
127.03924	3.3
128.06186	6.8
129.07016	16.3
131.08585	45.4
133.06470	6.3
133.10146	34.1
135.07124	2.4
135.08070	22.6
135.11684	12.2
137.09607	8.8
139.11194	2.1
141.06984	4.1
141.09161	2.6
142.07776	3.4
143.07059	6.3
143.08557	14.7
145.06476	3.0
145.10127	21.0
147.08075	17.4
147.11700	9.7
147.79378	1.7
149.05937	1.9
149.09625	31.1
149.13269	9.2
151.07533	5.9
151.11188	8.2
153.09076	3.5
155.08566	4.4
156.94603	1.7
157.10147	11.3
159.08061	3.6
159.11710	16.3
160.32434	1.9
161.09608	8.5
161.13261	5.6
163.07509	1.7
163.11232	8.4
165.09123	5.6
166.07927	1.9
167.10724	5.3
169.10146	5.7
170.11002	2.8
171.10277	2.8
171.11678	8.2
173.04442	2.3
173.09668	4.1
173.13216	6.0
175.11151	4.2
175.14946	2.2
177.09114	4.6
177.12741	3.8
181.10184	2.2
183.11763	2.8
184.07312	16.9
185.13255	5.6
187.11197	3.8
187.14864	4.6
189.09317	1.6
189.11182	4.9
189.12759	2.8
189.16351	5.3
193.10074	1.6
195.13795	6.6
199.09660	8.0
199.14847	15.2
201.12689	2.4
201.16408	8.2
203.14441	1.9
205.12360	1.9
207.11797	2.2
209.13260	2.2
211.14842	4.9
217.15892	12.8
219.17435	2.4
223.13335	10.3
225.11304	7.8
227.12592	13.2
227.17871	2.0
229.15869	6.7
239.12773	2.4
241.14337	19.0
245.15392	16.3
245.19020	2.7
247.16959	10.4
249.14969	2.3
253.14352	10.9
255.15895	2.2
257.19083	3.0
263.16357	10.8
269.17465	24.4
271.15433	2.2
273.18576	11.8
275.20160	11.3
291.19547	72.3
319.19070	2.2
321.20712	11.9
337.20120	23.8
339.21613	3.1
347.22256	2.8
349.23672	7.6
365.23285	28.3
367.24954	2.0
476.95303	1.9
513.31763	5.7
517.31635	19.4
531.33203	78.5
532.33551	4.1
611.39502	18.0
612.39154	1.9
629.40277	4.3
700.68127	1.8
738.61249	1.9
740.87915	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.4948
Annotation	Unknow
Peak:m/z	Relative Intensity
59.49907	1.4
61.02911	2.4
65.03938	6.7
67.05506	69.2
67.75050	1.3
69.03432	17.2
69.07069	78.9
70.06619	1.3
70.07376	1.4
71.04997	7.0
71.07362	1.7
73.02897	1.5
77.03926	1.7
79.05493	100.0
81.03419	18.8
81.07056	77.8
83.04982	12.7
83.08225	1.3
83.08625	14.9
85.02887	5.6
85.06522	2.4
86.09698	10.5
87.04449	1.2
91.05480	89.0
93.07043	82.5
93.07642	2.9
95.01324	1.6
95.04970	17.3
95.08604	45.7
97.02887	15.1
97.06528	23.4
97.10175	13.0
98.20740	3.2
98.98437	1.7
99.04495	2.1
99.08074	4.0
103.04025	1.3
103.05419	2.4
105.04482	4.0
105.07031	52.3
106.07411	1.2
107.04298	2.1
107.04961	25.9
107.08593	44.1
108.05712	1.3
109.02864	3.4
109.06516	10.7
109.10156	15.3
111.04419	3.4
111.08097	6.3
113.09625	1.7
115.05425	4.1
116.06244	2.4
117.07018	26.4
119.03422	2.1
119.04947	1.6
119.08582	45.9
121.06503	7.6
121.10144	52.6
122.10529	1.7
123.04415	1.7
123.08067	15.9
123.11693	3.0
124.80264	1.5
125.00008	7.6
125.05986	3.4
125.09640	11.8
127.03918	2.4
128.06204	5.6
129.05472	3.0
129.07004	17.5
130.07748	2.8
131.08571	48.3
133.06522	6.6
133.10147	25.3
135.08069	18.4
135.11699	7.8
137.09610	9.7
139.07437	1.1
139.11159	3.1
141.06953	3.3
141.09120	2.8
142.07767	4.9
143.06998	7.7
143.08580	12.6
145.06412	2.7
145.10124	23.8
147.08041	15.7
147.11699	10.4
149.09621	33.7
149.13289	6.7
151.07529	5.2
151.11154	3.8
153.06981	1.4
153.09068	1.8
155.08548	5.4
157.10121	11.9
159.08011	4.7
159.11674	12.8
161.09587	5.8
161.13245	7.2
163.03850	1.9
163.11165	8.5
165.09081	7.1
165.12762	1.6
167.08566	2.2
167.10634	3.8
169.10135	5.4
171.10146	3.6
171.11673	8.3
173.04425	1.4
173.09666	2.7
173.13219	6.3
175.07587	2.4
175.11209	2.9
175.14726	2.3
177.09081	5.6
177.12744	3.7
179.06993	1.6
179.14291	1.4
183.10179	1.5
183.11682	4.0
184.07343	34.5
185.07654	4.8
185.09467	1.2
185.13269	3.1
187.11153	3.0
187.14813	4.0
189.11212	5.3
189.12744	1.7
189.16316	7.1
193.12263	1.7
195.10086	1.8
195.13814	4.3
197.13301	2.2
199.09650	10.4
199.11292	1.9
199.14809	14.0
199.91968	1.4
201.12691	1.6
201.16408	7.6
203.14355	2.3
205.12178	2.6
209.13217	1.9
211.14780	2.6
217.15948	10.1
219.17386	2.8
223.13280	12.0
225.11189	4.4
227.12584	12.5
227.14630	2.6
229.15930	8.2
233.15337	1.6
235.16774	1.3
239.12798	2.9
239.18062	2.0
241.14265	9.0
245.15422	15.4
247.16975	7.6
249.14915	2.1
255.15915	5.1
257.18994	5.1
263.16431	10.2
265.17831	1.5
267.16104	1.3
269.17499	14.2
273.18448	9.9
275.20084	21.4
291.19553	63.6
292.19781	2.0
293.17792	1.3
293.20953	1.8
319.18979	3.5
321.20645	12.7
337.20087	33.2
349.23734	19.2
365.23206	25.8
393.22534	2.3
491.30020	3.5
499.30518	1.5
507.29422	2.3
513.31897	3.9
515.33472	1.9
517.31653	13.1
531.33203	51.4
532.33539	1.8
547.14795	1.5
593.38361	3.0
611.39490	30.7
612.39716	2.6
629.40234	3.0
643.43024	1.4
675.37103	2.2
767.43481	2.2
826.49750	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	824.5519
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04984	2.9
59.42666	1.3
61.02921	2.9
64.23962	1.3
65.03938	6.7
67.05509	81.6
69.03422	7.6
69.06736	2.0
69.07072	26.9
69.90836	7.6
71.04983	5.5
79.05497	63.0
81.03424	10.9
81.07062	85.7
83.04981	10.4
83.08616	15.3
85.02899	5.9
85.06544	2.9
86.94459	1.3
88.70519	1.2
91.05489	47.7
93.07049	67.5
95.04967	10.0
95.08612	55.9
97.02904	2.9
97.06540	11.3
97.10176	4.2
99.04493	1.7
99.08076	3.7
101.02396	1.5
105.04558	3.5
105.07035	34.6
107.04955	6.5
107.08599	35.9
109.06524	8.0
109.09460	2.5
109.10152	22.0
111.08073	3.9
113.09686	1.4
115.05452	1.9
117.07015	18.0
119.08589	26.9
121.06490	3.3
121.10140	24.9
123.08073	3.8
123.11714	4.9
125.09679	2.8
127.03921	2.1
128.06210	1.7
129.06987	5.0
130.07837	1.7
131.08571	20.7
133.10130	23.5
135.08058	4.4
135.11699	20.6
137.09615	3.2
141.06985	2.6
143.08560	5.4
144.17986	1.3
145.10124	13.9
147.11682	12.7
149.09621	6.4
149.13283	12.4
151.11259	1.6
155.08580	3.4
157.10103	5.2
159.11714	15.7
161.13313	5.8
163.11246	4.5
163.14813	3.2
165.12827	1.5
169.10167	1.4
171.11656	3.8
173.04503	2.5
173.11928	1.4
173.13213	8.0
175.11230	1.6
175.14865	2.6
177.12756	3.7
181.12248	2.1
183.11642	3.5
185.13234	2.7
187.14796	2.1
189.11147	2.0
195.13847	6.1
197.13364	1.9
199.14842	2.5
201.16464	1.5
217.15701	1.6
227.12820	2.0
229.14275	2.0
235.16789	2.0
241.19487	2.0
243.21173	3.5
247.20560	2.0
255.15840	9.4
257.19086	8.6
259.20508	1.7
261.22134	15.0
267.15796	1.9
269.17505	28.1
275.20093	29.2
279.23328	1.4
293.21127	2.7
296.04480	1.4
309.20621	5.9
317.24786	2.2
331.22568	2.8
333.24329	2.0
335.25812	100.0
336.26205	4.3
349.23715	23.2
367.24768	3.4
413.21515	2.2
489.35657	3.0
515.37146	13.2
529.38959	67.2
530.39227	4.1
543.40924	1.7
569.41827	10.8
609.45117	21.0
627.45990	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	824.4793
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93407	0.7
59.04987	1.0
61.02926	1.3
65.03924	2.8
67.05508	42.0
69.03432	12.9
69.07072	64.7
69.93611	4.0
71.04983	2.3
73.02914	0.7
73.06527	0.9
77.03922	0.8
79.05497	60.9
81.03417	11.1
81.07059	39.5
83.04993	5.5
83.08622	10.2
84.08158	0.9
85.02917	2.5
86.09753	0.8
87.04473	0.9
89.96452	0.7
91.05485	55.2
93.07049	48.7
95.01346	2.8
95.04974	13.5
95.08611	24.6
97.02894	15.0
97.06534	13.6
97.10172	11.6
99.04455	1.4
99.08124	0.8
103.03971	0.9
103.05461	1.8
105.04561	1.4
105.07041	26.1
107.04961	18.5
107.08605	23.1
109.02880	1.7
109.06503	5.7
109.10157	10.6
111.04447	1.1
111.08069	3.2
115.05444	3.0
116.06257	1.0
117.07027	12.6
119.03430	1.3
119.04932	2.0
119.08593	40.0
120.12183	0.9
121.06498	5.5
121.10153	41.0
123.04424	1.5
123.08070	9.6
123.11707	0.9
125.00008	1.0
125.05978	3.0
125.09625	9.6
128.06223	4.1
129.07010	13.5
130.07848	1.4
131.08574	30.4
133.06512	6.6
133.10143	15.0
135.08044	5.6
135.11700	3.1
137.06029	0.8
137.09593	6.3
139.07576	1.0
141.07039	1.9
141.09105	1.7
142.07803	3.5
143.07066	4.6
143.08582	12.4
145.06497	2.2
145.10126	11.3
147.08057	16.9
147.11685	6.5
149.09631	17.0
149.13251	3.0
151.07506	5.0
151.11212	1.7
152.39308	0.9
153.09047	1.3
155.08533	1.7
157.06358	1.2
157.10129	10.2
159.08072	2.6
159.11703	5.6
161.04376	0.8
161.08211	1.6
161.09616	6.3
161.13281	3.2
162.10362	1.1
163.07503	0.9
163.11174	2.7
165.09137	6.3
165.12769	1.1
166.07719	1.0
167.10713	0.9
169.10138	1.8
171.06540	1.1
171.10287	1.5
171.11700	4.1
173.09630	1.2
173.13263	2.0
175.07538	2.3
175.11093	4.1
175.14908	1.3
177.09138	3.7
177.12758	1.9
179.06956	1.0
183.10168	1.7
183.11650	1.5
184.07361	2.3
185.09636	1.7
185.13287	1.2
187.11191	0.8
187.14799	1.0
189.09206	1.0
189.11235	3.3
189.12788	1.1
189.16415	8.1
191.10721	1.0
193.12297	1.0
195.10054	1.3
195.13797	1.3
199.09668	5.5
199.11276	1.4
199.14830	13.0
201.16379	3.6
203.14343	1.9
205.12283	1.9
211.13336	1.1
217.12628	1.3
217.15880	13.4
219.17538	0.8
221.11693	1.1
223.13289	17.2
225.11166	2.5
227.12677	2.4
227.14603	5.6
239.12752	3.9
245.15407	16.2
245.19173	1.0
249.14883	3.0
263.16446	12.2
273.18484	14.6
289.12732	2.0
291.19550	100.0
292.19904	2.9
319.19168	4.0
337.20105	43.4
338.20316	1.1
347.22244	3.7
365.23242	51.8
366.23532	1.9
391.21194	1.8
409.22464	1.9
470.64368	0.9
507.29477	1.5
529.31555	3.4
547.32501	2.6
559.33209	1.4
609.37488	5.1
617.07568	0.9
627.38898	73.9
628.39441	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	824.4792
Annotation	Unknow
Peak:m/z	Relative Intensity
59.31159	1.5
65.03938	3.2
67.05508	42.1
69.03432	9.0
69.07072	25.4
71.04990	3.8
71.08632	2.0
71.49827	2.6
77.25766	1.5
78.00516	1.5
79.05500	48.6
81.03412	8.6
81.07060	74.9
83.01323	1.5
83.04987	5.7
83.08627	8.5
85.02916	2.0
85.06594	1.6
87.04448	1.7
89.06044	2.2
91.05486	29.9
93.07043	27.9
94.09489	1.4
95.04969	11.5
95.08610	74.5
97.02898	8.2
97.06532	6.1
97.10157	10.9
99.04480	1.5
99.08081	3.9
103.03967	2.3
103.05499	2.8
105.04476	2.1
105.07037	28.3
107.04967	12.6
107.08603	17.2
109.06554	6.9
109.10163	5.7
111.08096	3.5
116.06118	1.7
117.07022	9.2
119.08597	14.9
121.06518	11.3
121.10152	5.6
123.08080	57.4
123.11676	1.9
125.09615	7.8
128.06235	3.7
129.07021	7.8
131.08539	11.5
133.06528	10.3
133.10133	7.9
135.08087	8.7
135.11700	3.1
137.09619	3.9
139.07605	1.7
141.06970	1.6
141.09096	4.4
142.07813	2.2
143.08539	8.9
145.10139	8.6
147.08034	9.9
147.11708	2.9
149.06091	1.8
149.09636	4.9
149.13185	2.2
151.07561	23.0
153.09091	1.8
157.10114	8.3
159.08058	1.9
159.11717	4.4
161.09612	8.9
163.07539	1.8
165.09088	4.2
167.08623	1.8
171.08040	1.7
171.11647	2.9
173.13248	2.3
175.11253	2.8
177.09151	1.8
177.12744	1.9
183.10071	2.8
184.07434	4.1
185.13245	2.8
189.09193	2.0
189.11255	4.4
199.11163	1.7
199.14841	6.0
201.12769	1.8
203.14294	2.1
205.12299	2.2
205.78470	1.6
217.15948	3.5
223.09676	3.4
223.13216	12.1
225.11223	100.0
226.11533	2.2
227.12657	4.5
227.14537	2.9
229.14230	2.0
245.15450	15.4
249.14951	3.7
260.51944	1.7
263.16452	8.4
273.18607	15.0
291.19568	94.3
292.19907	3.7
319.18970	7.5
332.48389	1.5
335.25476	1.7
337.20126	17.8
365.18530	2.0
365.23230	31.0
395.20691	2.2
473.28604	2.4
515.29999	4.2
522.82599	1.8
533.30927	11.5
609.37933	7.8
627.38690	21.1
628.38934	2.0
692.91925	1.7
707.65656	2.0
777.21472	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.5332
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05001	3.5
61.02930	6.5
67.05520	5.0
68.18855	0.6
69.03426	3.8
69.07058	1.7
69.20033	4.5
69.20445	2.4
73.02926	5.9
79.05511	4.2
80.18501	0.7
81.03429	1.6
81.07074	4.4
83.08585	0.6
85.02908	5.0
89.06041	1.0
90.76381	0.8
91.03969	3.0
91.05498	4.7
93.07038	4.5
95.08614	4.6
96.64547	0.7
97.02905	6.2
97.06491	0.7
99.04464	1.3
101.02406	2.0
105.07040	2.7
107.08636	1.9
109.02892	1.0
109.10172	1.2
110.49417	0.7
119.08624	2.8
121.10166	2.1
123.11741	0.8
123.56161	0.7
127.03950	1.9
131.08614	1.3
133.10146	1.7
145.10066	0.7
147.11734	1.0
191.55290	0.7
221.58975	0.7
243.08505	1.2
361.47925	0.7
519.29126	4.5
545.30951	8.5
823.53345	100.0
824.53424	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	824.4784
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05009	1.2
65.03940	1.2
67.05502	39.5
68.99790	1.7
69.03426	9.5
69.06689	1.3
69.07070	25.2
71.01337	1.2
71.04999	1.9
71.49232	1.3
71.64592	0.8
73.02913	2.6
77.03915	1.2
79.05495	44.9
81.03419	5.9
81.07056	72.1
83.04974	4.2
83.08611	9.0
85.02901	3.1
85.06522	1.8
91.05479	29.5
93.07043	27.6
95.04967	12.3
95.08609	70.3
97.02907	6.7
97.06544	5.6
97.10165	10.3
99.08084	3.0
103.03938	1.5
103.05466	2.3
105.04536	1.4
105.07037	25.0
107.04948	16.7
107.08599	12.9
109.02881	2.2
109.06503	5.6
109.10153	6.8
111.08070	2.9
115.05457	2.2
116.13298	1.2
117.07012	8.5
119.04939	2.4
119.08582	13.6
121.06505	11.9
121.10125	6.5
123.04435	2.8
123.08068	50.8
125.09624	8.1
128.06189	2.0
129.05472	2.1
129.06984	6.0
131.08568	14.4
131.36052	1.2
133.06485	8.8
133.10129	8.3
134.07277	1.6
135.08064	9.1
135.11696	2.5
137.09637	2.4
139.07532	1.3
141.09126	5.3
142.07796	2.3
143.08569	8.7
145.06461	2.1
145.10094	6.2
147.08073	8.9
147.11708	5.0
149.05954	2.4
149.09584	3.6
149.13254	1.8
151.07544	23.4
153.09061	1.5
155.08597	1.5
157.10136	5.6
159.08107	1.9
159.11705	2.9
161.09596	6.9
161.13280	2.8
162.18916	1.0
163.07518	2.9
163.11160	2.6
165.09143	4.8
167.08534	1.6
171.11714	2.3
173.09555	1.3
173.13333	1.4
175.11209	2.8
175.14983	1.0
177.12683	1.2
179.10637	2.5
184.07390	2.4
185.09595	2.4
185.13271	1.1
189.09119	1.3
189.11226	3.5
195.10121	1.2
199.14845	4.5
203.14337	2.9
205.12230	1.3
217.15927	4.8
223.09634	4.2
223.13313	13.0
225.11211	100.0
226.11531	1.6
227.12727	3.2
227.14603	2.0
235.16888	2.9
243.12146	1.3
245.13095	1.5
245.15385	15.8
249.14830	2.9
263.16519	9.3
273.18488	14.2
281.17490	1.3
291.19543	88.6
292.19858	2.4
313.27036	1.3
319.18970	7.4
337.20120	21.8
347.22131	2.0
365.23221	34.4
370.00818	1.0
473.29175	1.8
515.29919	5.4
533.31042	9.9
545.31305	1.3
609.37488	7.1
627.29205	1.8
627.38940	24.0
685.53760	1.0
778.26190	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5362
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	9.8
57.07076	5.4
58.06602	4.4
59.04998	9.0
59.07382	3.9
64.39133	2.7
65.03940	3.6
67.05510	95.5
69.03437	7.0
69.07072	26.7
71.04996	10.1
71.08632	2.9
71.49451	4.2
76.58907	2.8
79.05073	5.4
79.05498	73.7
80.05814	3.6
81.03419	8.9
81.07060	100.0
83.04996	20.1
83.08620	10.1
85.06545	9.5
91.03307	3.0
91.05486	71.6
93.07049	72.7
95.04964	12.9
95.08612	51.1
98.20894	3.1
99.08113	3.0
105.07045	55.9
107.04958	8.2
107.08601	57.4
109.06509	5.5
109.10168	60.8
111.08104	3.8
117.07030	14.7
119.08599	26.4
120.70230	2.8
121.06498	6.0
121.10149	24.9
123.08059	5.3
123.11714	13.3
127.07528	3.4
129.07082	3.1
131.08540	21.2
133.06483	4.5
133.10139	66.1
135.08055	9.2
135.11702	16.8
137.09627	4.8
143.08620	4.3
145.10129	9.8
147.08095	5.1
147.11690	10.2
149.09573	5.3
149.13330	7.0
151.11212	29.6
157.10173	4.3
159.11703	5.7
161.09636	7.8
161.13213	7.1
169.12141	3.8
171.11726	4.1
173.13304	5.9
175.14801	3.4
175.57686	3.0
177.09264	3.6
178.73865	3.1
179.10689	3.6
189.61130	3.3
236.15054	7.4
253.14352	96.2
261.22141	11.9
263.20068	4.5
273.18478	20.9
291.19470	25.0
303.39395	3.4
335.25842	96.0
347.22195	8.2
365.23337	31.2
460.14450	3.5
513.35632	8.2
531.36890	24.8
607.43689	6.4
625.44751	58.8
733.02869	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	822.5362
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	13.9
57.07061	7.8
58.72143	3.4
59.04995	10.3
60.56787	3.5
65.03924	5.2
67.05145	4.9
67.05503	97.2
69.03409	8.3
69.07066	28.0
70.12769	3.2
71.04967	10.2
71.08613	4.7
71.46985	3.4
71.47382	3.9
71.49589	4.1
73.02935	4.1
73.06548	5.1
79.05491	69.2
80.48865	3.5
81.03410	12.7
81.07056	100.0
82.77445	3.9
83.04979	22.4
83.08609	11.0
87.04465	4.1
89.06022	12.8
91.05481	65.9
92.94587	4.0
93.06482	6.7
93.07040	77.2
95.04963	14.1
95.08608	51.9
97.06500	5.1
97.10130	5.2
105.07034	61.2
107.04949	11.1
107.08588	48.2
109.02898	4.2
109.06526	7.1
109.10155	45.1
115.05427	6.3
117.07004	15.5
119.08574	21.5
121.10143	23.8
123.08076	6.4
123.11680	6.5
129.07077	6.7
131.08565	24.6
133.06508	7.6
133.08603	6.5
133.10120	56.1
135.08070	8.4
135.11697	13.2
137.09605	9.6
143.08583	7.6
145.06590	4.0
145.10115	15.0
147.07953	3.9
147.11646	10.9
149.09558	10.5
149.13223	5.3
151.11143	22.6
155.08496	3.7
159.11678	10.8
161.09615	8.0
161.13190	5.9
169.12219	5.8
171.11647	5.2
173.13202	6.3
175.11142	4.3
184.07391	4.5
216.72908	3.8
236.14914	6.9
245.18965	6.4
253.14348	43.6
255.17598	4.1
261.22159	9.0
264.89078	4.4
273.18506	30.2
275.19711	4.9
291.19528	46.3
293.17288	4.7
304.82330	3.7
335.25772	92.6
347.22031	8.8
365.23209	41.6
371.04199	3.9
435.24097	4.0
531.36804	22.5
607.43335	11.3
607.66669	4.0
625.44525	81.4
822.47894	6.5
823.52686	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	820.4991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05010	0.7
68.28775	0.2
69.07061	0.2
69.77098	1.4
73.02919	0.4
73.06564	0.7
77.03930	0.5
79.05502	5.5
81.07088	0.3
87.04475	5.1
89.06036	31.6
90.06332	0.3
91.05482	2.9
93.07037	0.8
95.04457	0.2
95.04990	1.4
103.05479	4.8
105.07037	100.0
106.07392	1.1
107.07090	0.3
107.08640	0.3
115.05444	0.3
117.07061	0.4
117.09107	0.5
119.04951	0.4
119.08598	0.8
121.06515	5.6
129.07025	1.3
130.08643	0.5
131.07053	1.5
131.08565	4.9
133.08611	22.5
134.08934	0.3
135.08089	0.3
145.06526	0.3
147.08041	2.7
149.09628	0.9
149.28297	0.2
160.66124	0.2
163.11194	0.2
165.07002	0.4
165.09126	1.3
166.07797	0.3
173.09673	0.4
175.09705	1.1
177.11241	9.1
179.08514	0.3
179.12737	0.3
181.10097	0.5
189.81055	0.2
191.10695	0.4
193.12334	0.3
196.59299	0.2
207.11758	0.3
209.11617	0.5
211.13326	0.2
219.12183	0.3
221.13849	2.1
223.11139	1.0
223.15228	0.2
225.12753	6.2
226.13141	0.3
231.37021	0.2
249.12686	0.3
251.14319	7.3
253.15991	1.8
255.16051	0.4
265.16397	0.6
267.13742	0.5
269.15363	3.0
271.15329	0.2
283.17554	0.4
295.16925	0.7
309.18994	0.3
311.16501	0.4
313.18063	1.7
315.17972	0.2
327.17172	1.3
329.15225	0.4
329.19003	6.6
330.19495	0.3
337.31479	0.3
355.20465	0.4
357.20703	0.4
359.20609	0.4
371.20084	0.3
373.21658	4.0
401.23199	0.4
403.23325	0.3
417.24234	0.5
463.26630	0.3
477.27863	2.0
491.28308	0.9
507.29556	0.4
551.32092	0.5
595.25989	0.4
595.34772	3.7
699.40436	1.4
713.47656	0.2
722.66528	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.5934
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	17.5
57.07064	16.9
59.05003	14.7
67.05500	64.6
69.07059	20.9
69.23745	31.2
69.24141	100.0
74.96649	10.6
79.05492	33.0
79.45743	10.7
81.07050	51.5
83.08609	13.6
91.05485	20.1
93.07042	41.4
95.08616	40.9
105.07011	20.2
117.07058	15.7
131.08432	12.6
135.11720	20.2
159.64630	11.7
167.55247	12.6
182.13411	14.2
261.22110	25.6
317.24695	13.2
335.25867	90.3
336.26349	16.2
347.25787	21.9
417.24432	12.6
708.52655	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	822.5355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	7.3
57.07069	1.8
59.04984	2.0
59.80714	0.7
61.02933	1.3
65.03927	2.4
67.05505	45.1
69.03152	0.7
69.03435	7.6
69.07066	28.9
69.41129	5.3
71.04977	2.0
73.02888	1.1
77.03931	1.0
79.05492	34.2
81.03422	3.9
81.07056	39.9
83.04989	4.2
83.08625	9.7
85.02894	2.0
85.06527	1.6
91.05480	25.2
93.07043	34.4
93.07639	1.7
95.04968	8.4
95.08603	27.9
97.02880	8.5
97.06522	2.8
97.10168	12.9
99.08074	0.9
103.05460	1.0
104.82229	0.7
105.04499	1.0
105.07027	16.0
107.04958	5.9
107.07886	1.1
107.08597	20.4
108.05689	1.4
109.02886	0.9
109.06526	2.6
109.10154	11.8
111.04440	1.6
111.08053	2.2
113.58285	0.7
115.05453	1.3
117.07020	8.2
119.04992	0.8
119.06093	0.8
119.08575	15.3
121.06513	2.6
121.09332	1.1
121.10143	12.2
123.04458	0.8
123.08081	3.4
123.11664	2.1
125.09644	7.1
129.06998	3.9
130.07768	0.9
131.08560	9.9
133.06543	4.1
133.10118	8.2
134.07245	1.0
135.08031	3.6
135.11696	6.4
137.09622	2.4
139.11150	1.0
143.08559	3.5
145.10152	6.4
147.08070	4.4
147.11668	5.0
149.09581	2.1
149.13289	3.9
150.35220	0.7
153.09064	1.7
157.10117	2.8
159.11687	4.0
161.09631	2.3
161.13254	2.5
162.10384	0.8
163.11214	2.0
163.14821	1.1
165.09106	1.8
169.10077	1.1
171.10139	1.2
171.11653	1.2
173.13278	1.7
175.11169	1.7
175.14822	1.1
177.12708	2.2
185.13235	1.8
187.14789	1.3
189.11246	3.6
189.12766	1.2
193.12317	1.0
195.13757	1.6
199.14853	1.0
201.16443	0.8
205.12355	1.6
223.13268	18.0
227.12782	3.4
231.17101	0.9
236.15009	1.7
243.21068	2.1
245.19003	1.3
249.14832	2.7
255.17387	1.1
261.22159	6.7
267.15689	1.2
273.18488	12.3
291.19537	100.0
292.19769	2.2
297.17404	0.8
317.24515	1.5
333.24304	0.8
335.25790	59.1
336.26056	2.3
343.50488	0.8
347.21884	1.8
365.23218	51.6
366.23221	1.6
432.51434	0.7
545.38000	2.7
551.41199	0.9
555.78680	0.8
557.37915	1.0
607.42981	1.6
625.44623	55.8
626.44580	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	820.4992
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04996	0.7
67.05505	0.2
67.23324	0.1
67.32602	0.2
69.07069	0.2
72.00175	0.2
73.02911	0.3
73.06546	0.8
77.03931	0.7
79.05492	5.7
81.03438	0.3
81.07082	0.3
86.09699	0.3
87.04471	5.2
89.06033	29.2
91.05485	2.8
93.07030	1.0
95.04983	1.5
95.08589	0.2
103.05470	5.6
103.06156	0.3
105.07033	100.0
106.07397	1.1
107.04955	0.2
107.07102	0.3
115.05381	0.2
116.06203	0.2
117.07008	0.4
117.09159	0.4
119.04954	0.3
119.08580	0.8
121.06510	4.7
128.06291	0.2
129.07034	1.0
130.08643	0.5
131.07071	2.1
131.08563	4.5
133.08606	21.0
133.10201	0.7
135.10152	0.2
143.08499	0.2
145.06506	0.4
147.08046	2.3
149.09662	1.0
165.07019	0.2
165.09102	1.0
166.07814	0.3
169.10091	0.3
173.09590	0.4
175.09698	1.4
175.11131	0.3
177.09666	0.4
177.11229	7.9
181.10132	0.4
191.10580	0.4
207.11627	0.3
209.09764	0.2
209.11563	0.4
209.13272	0.5
211.13156	0.2
219.12302	0.4
221.13766	1.9
223.11180	1.0
225.12744	6.4
227.12740	0.4
235.14919	0.3
239.14980	0.3
249.12645	0.4
251.14313	8.5
252.14500	0.3
253.16077	1.4
255.15915	0.3
265.16440	0.8
267.13962	0.3
269.15393	3.1
279.16125	0.2
283.17590	0.3
295.16864	0.5
297.17007	0.3
299.18427	0.3
309.19073	0.2
311.16400	0.5
313.17969	1.9
315.18085	0.3
318.21906	0.2
327.17200	1.2
329.18994	6.1
355.19498	0.2
357.20517	0.4
371.20029	0.3
373.21622	4.0
375.21786	0.3
401.23175	0.3
403.23392	0.4
417.23941	0.4
419.24420	0.3
460.95355	0.2
477.27847	2.0
491.28293	0.6
507.29407	0.3
551.31769	0.6
595.34808	3.3
640.45453	0.2
655.37781	0.2
699.40967	1.2
820.46741	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.6202
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.0
57.07079	31.0
59.05009	4.2
67.05518	2.8
69.03440	1.3
69.07072	6.6
69.36654	1.2
69.37050	4.4
71.04981	0.9
71.08636	28.5
73.02925	1.3
73.06560	11.7
73.33939	0.6
79.05489	2.4
81.03431	0.9
81.07049	3.3
83.08621	5.1
85.10184	17.3
85.56079	0.6
87.04472	12.7
89.06036	100.0
89.50382	0.6
91.05492	1.5
91.07614	1.2
93.07053	2.5
95.04984	1.2
95.08601	2.0
97.06540	2.3
97.10168	6.3
99.11731	1.5
101.06042	0.6
103.07613	0.8
105.07047	1.7
105.74419	0.5
107.07087	1.7
107.08605	1.8
109.06470	0.8
109.10185	1.3
111.11725	2.2
113.13307	1.4
115.07564	1.1
117.07040	1.1
117.09148	7.7
119.08567	0.9
125.13290	1.3
127.14854	1.2
130.08669	2.5
131.07059	3.7
131.08580	1.4
133.08609	48.3
134.08969	0.7
135.08096	0.8
135.10210	1.2
141.16438	1.1
155.17950	0.7
160.08043	0.8
161.11711	2.7
169.19580	0.5
175.09673	2.0
177.09668	1.2
177.11235	20.1
211.24254	3.1
219.12358	0.8
221.13814	4.3
255.26802	1.3
265.16589	0.7
273.18521	1.6
299.29480	5.6
309.19070	1.3
313.27353	4.7
327.19876	1.0
343.32120	3.1
347.22186	0.8
493.39658	0.6
507.40143	1.2
603.46246	0.7
801.59033	1.5
818.61322	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	818.5773
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	10.7
57.06831	0.8
57.07079	7.5
59.05002	8.7
61.02931	3.8
65.03937	3.5
67.05505	60.1
69.03422	1.2
69.07066	14.2
70.33733	0.7
71.04968	1.2
71.08620	2.4
71.23055	1.3
73.02892	1.9
77.03900	1.3
79.05493	42.5
81.03439	1.4
81.07056	56.9
82.07364	0.8
83.04971	2.6
83.08622	9.2
85.02909	2.7
85.06522	2.7
85.10166	1.0
87.83942	0.6
89.06036	10.0
89.91459	0.6
90.06365	1.0
91.03960	1.4
91.05483	48.1
93.07046	40.2
95.04961	3.2
95.08609	46.1
97.02879	2.2
97.06544	4.0
97.10175	3.5
98.20860	0.7
99.04433	1.1
99.08092	1.5
100.14397	0.7
100.93811	0.7
101.05990	0.9
101.09624	1.7
103.04008	0.7
103.05469	1.2
105.04510	1.5
105.07032	32.5
107.04935	0.9
107.08595	20.8
109.06523	1.0
109.10153	17.6
111.08095	1.5
115.05424	0.9
117.07014	15.8
117.09153	2.1
119.08583	27.5
121.09335	1.5
121.10147	20.9
123.08070	1.2
123.11689	5.0
128.06233	1.6
129.05460	2.8
129.06999	8.8
131.08569	21.1
131.10643	1.2
133.10130	19.0
135.08052	2.1
135.11687	10.7
137.09622	1.7
137.13232	2.8
141.06981	2.1
142.07742	0.7
143.08548	9.3
145.10139	12.0
145.12245	5.1
147.08028	1.3
147.11700	11.1
149.09633	2.9
149.13271	4.0
151.11147	1.2
155.08478	1.6
157.10126	6.5
159.11694	7.0
161.09599	2.6
161.13246	6.3
163.11195	1.4
163.14833	4.4
169.10091	1.9
171.11707	7.4
173.13278	6.5
175.11150	2.3
175.14806	6.7
177.12735	1.2
177.16414	1.5
181.10170	0.9
183.11732	2.5
185.13239	7.1
187.14827	5.2
189.12759	1.9
189.16402	5.4
191.17880	1.1
197.13274	0.9
199.14836	4.8
201.16330	3.6
203.14485	1.4
203.16364	2.7
203.17975	17.1
211.14798	1.0
213.16393	3.3
215.17961	1.2
227.18021	1.2
233.17625	0.9
241.19485	2.0
243.21161	4.1
245.22607	1.8
259.20615	3.2
259.24173	3.4
261.22241	6.4
267.21094	2.2
269.22653	17.4
269.25562	1.0
285.22147	3.2
287.23706	18.2
333.24289	1.8
335.25806	100.0
336.26193	4.2
337.27371	4.7
359.25638	1.2
361.27383	21.4
547.45020	1.3
621.48419	3.7
639.49701	3.4
710.13141	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	5.5
59.99116	6.0
61.02931	5.0
63.34539	0.4
65.03953	0.6
67.05508	1.7
68.99791	5.4
69.03431	44.3
70.03804	0.5
71.01350	2.5
71.04999	5.4
71.49246	0.9
71.75887	0.4
72.03831	0.4
72.08161	1.0
73.02927	5.7
73.06562	7.0
75.04460	0.4
77.03923	0.6
78.04731	0.9
79.05487	3.4
81.03421	43.7
82.03770	0.5
83.01347	1.4
83.04984	5.2
85.02909	83.5
85.07678	1.0
86.03233	0.7
86.06071	7.4
87.00829	31.7
87.04469	0.5
91.03957	2.1
91.05483	1.1
93.03408	0.5
95.04971	3.9
97.02898	32.5
99.00812	0.6
99.04458	14.8
101.02372	1.4
102.03749	0.9
102.99657	1.0
103.03942	4.0
105.01868	31.0
105.04517	0.5
106.06558	100.0
107.04980	0.9
107.06892	1.5
109.02884	53.0
109.06523	0.6
111.04451	7.0
113.02382	1.6
115.03246	0.5
115.03944	2.6
115.08703	1.0
117.01852	4.0
119.04904	0.8
121.02892	1.0
123.00806	0.5
123.04431	5.4
125.02353	3.7
127.03921	85.4
128.04262	1.2
129.01851	4.8
129.05470	1.6
132.04791	6.9
134.06021	8.1
135.04436	0.9
137.02249	0.5
137.05988	1.4
139.03923	2.2
141.05492	0.8
143.03398	0.5
145.05058	22.1
147.02899	4.0
147.04446	0.9
147.06514	0.9
151.03923	4.3
153.01895	0.6
157.13390	4.7
159.02888	16.6
161.05972	0.7
161.07909	0.5
163.03926	0.9
165.05481	2.0
169.04973	9.5
171.02917	2.1
175.03918	1.2
175.05341	1.0
177.03973	1.3
177.05450	0.9
178.43094	0.5
181.04942	1.0
183.02879	0.7
187.06035	6.5
189.03960	11.5
189.05484	1.2
191.11786	4.9
193.04955	5.4
195.02882	0.7
205.05092	0.6
205.07051	1.6
208.05392	5.7
211.05992	1.8
213.03960	16.8
215.05469	1.7
217.05029	1.0
217.10062	8.8
229.06943	0.6
231.05009	37.1
233.06593	2.4
235.06027	2.0
247.04504	1.4
249.06073	12.1
250.10121	12.5
253.07059	1.7
255.04982	2.1
269.06601	0.8
273.06058	41.8
274.06458	1.2
280.11148	4.9
285.05923	1.0
291.07080	2.5
297.05972	2.6
299.04129	0.6
303.07120	0.7
315.07007	6.5
321.06122	1.4
333.08279	3.2
339.07159	7.0
357.08203	7.5
375.09262	1.0
377.07178	0.5
380.09897	1.6
425.07108	1.9
443.08197	5.3
461.09317	8.3
465.15430	0.6
479.10156	4.7
497.11649	0.7
628.15662	0.5
653.23798	0.7
713.20697	6.6
774.26208	0.6
818.26501	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	816.5615
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	15.0
57.07072	4.6
59.04998	6.4
61.02913	4.0
65.03926	5.9
67.05506	80.1
69.06732	1.7
69.07068	18.3
71.04973	3.2
73.02924	1.3
74.09711	1.9
77.03928	1.8
79.05495	57.7
81.07059	72.6
83.04997	2.5
83.08622	8.3
85.02901	3.7
85.06538	4.4
89.06005	2.3
91.03956	2.2
91.05482	70.3
93.07045	62.2
95.04980	6.3
95.08609	57.0
97.02895	2.7
97.06526	6.6
97.10152	4.5
98.14252	1.1
98.21631	2.2
99.08097	1.3
103.05476	1.5
105.04501	1.9
105.07034	40.8
105.19874	1.4
107.08591	29.6
109.06512	1.6
109.10160	22.1
111.08045	2.9
115.05476	4.2
116.06219	1.2
117.07022	31.3
119.08585	32.3
121.10152	23.7
123.08083	1.8
123.11703	8.9
124.02926	1.3
125.09599	1.5
126.06694	1.2
128.06194	5.0
129.05460	3.4
129.06985	15.7
131.08568	40.9
133.08626	2.0
133.10126	18.9
135.08044	3.3
135.11687	15.8
137.09625	1.6
137.13231	1.5
141.06987	8.5
143.08568	14.0
145.10124	27.2
147.11684	10.6
149.09589	4.2
149.13269	7.6
155.08534	8.1
157.10138	10.9
159.11716	17.7
161.09610	1.9
161.13242	11.4
163.11249	3.0
163.14851	4.1
167.08542	1.3
169.10110	6.8
171.11699	10.5
173.13268	13.4
175.11157	2.0
175.14812	8.0
177.16422	1.4
182.10881	1.4
183.11667	8.1
184.07343	2.3
185.13246	10.0
187.14850	11.3
189.12830	1.4
189.16467	2.4
195.11722	1.7
197.13286	5.0
199.13219	1.1
199.14796	7.5
201.12752	1.3
201.16397	25.1
203.14273	1.8
209.13281	1.7
211.14865	5.7
213.16333	2.8
215.14244	1.7
225.16386	4.7
227.17967	1.3
228.95673	2.2
229.15950	1.5
236.14793	1.4
239.17859	2.3
241.19566	4.7
243.21051	3.6
257.19028	1.8
257.22729	2.7
261.22144	5.4
265.19550	2.1
267.21060	23.2
269.22598	1.5
277.46204	1.4
283.20493	2.5
285.22134	18.4
314.28903	1.6
335.25790	100.0
336.26260	3.4
337.27292	2.8
359.25775	21.8
394.57181	1.3
483.32886	1.2
568.25549	1.3
619.47107	3.2
637.47729	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	816.5107
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.9
57.07067	3.7
61.02929	1.8
67.05501	17.5
69.03439	6.8
69.07072	17.3
69.35832	9.3
73.02903	2.1
77.89646	1.0
79.05504	10.5
81.03410	3.9
81.06595	2.3
81.07060	35.2
83.04979	1.4
83.08620	13.3
85.02911	27.5
85.10203	1.3
91.05490	7.4
91.44887	1.0
93.06493	1.7
93.07049	25.7
95.04957	2.2
95.08611	74.1
97.02895	6.4
97.06525	1.9
97.10175	6.4
99.04462	1.8
101.23922	1.2
105.07043	18.2
107.08600	38.9
109.02856	3.6
109.10159	68.6
110.10481	1.8
111.08086	2.0
111.11695	4.7
113.06044	1.4
117.07006	3.8
119.08585	22.3
121.10155	41.2
123.08068	2.7
123.11720	29.1
125.13295	1.3
127.03905	5.2
129.07042	1.4
131.08563	7.5
133.06422	1.2
133.10139	17.0
135.11702	38.5
137.13277	13.6
143.08557	2.3
145.05003	7.8
145.06569	1.2
145.10109	14.3
147.08041	2.1
147.11691	17.2
149.09685	1.7
149.13278	29.8
151.07524	1.8
155.08557	2.5
157.10153	2.0
159.08070	1.6
159.11694	15.4
161.09642	1.4
161.13263	16.7
163.06044	3.0
163.07430	1.6
163.14822	20.1
165.09134	2.0
165.12715	1.7
165.16328	1.7
167.10606	2.4
171.11693	2.7
173.09581	2.5
173.13266	15.0
175.11234	1.5
175.14827	13.4
175.89981	1.2
177.09087	2.8
177.16422	9.8
179.17952	2.2
180.08716	2.8
185.13208	2.9
187.11243	2.2
187.14807	14.5
189.16437	6.8
191.10762	7.3
191.14273	3.4
191.17961	89.0
193.12358	1.6
193.15805	1.4
193.19496	1.7
199.14767	1.5
201.12787	19.1
201.16437	6.9
203.14258	3.3
203.17914	5.9
205.12289	3.3
205.15866	3.2
205.19498	16.9
213.16400	3.3
215.14291	4.4
215.17967	2.7
217.12280	1.2
217.15840	1.5
217.19585	7.1
219.13815	37.2
219.17233	1.5
219.21054	16.5
221.15393	11.2
227.18060	1.8
229.15915	2.1
229.19481	2.9
231.21104	3.6
233.15358	8.0
233.22597	1.8
235.16849	4.4
237.14865	16.7
247.16968	13.4
248.80557	1.3
249.18417	2.1
251.16563	6.8
257.22736	1.4
261.18503	4.2
265.17972	2.8
275.20010	3.1
297.22324	1.3
303.23456	1.6
329.24619	3.0
343.26343	3.9
347.25711	3.1
355.26059	1.5
357.27670	1.7
361.27280	8.3
373.27332	3.1
411.36066	7.2
421.34735	8.9
429.37247	2.8
439.35718	100.0
440.36014	5.1
457.36804	78.0
457.42087	1.1
458.36981	2.6
654.35956	5.8
816.41907	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	814.5306
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	15.9
57.07073	3.9
59.04993	3.1
61.02910	4.2
65.03931	5.1
67.05505	90.7
67.13068	1.8
69.03400	4.4
69.07068	18.6
71.04975	4.6
71.48763	2.1
73.02913	2.4
79.05494	68.8
80.05800	1.8
81.03419	5.4
81.07053	66.4
83.04969	4.6
83.08611	14.0
85.02866	3.0
85.06543	4.1
87.04447	1.7
89.06039	3.2
91.05482	41.9
93.07044	64.7
93.07636	3.9
95.04962	7.8
95.08605	40.1
97.06532	8.6
97.10162	6.9
99.08095	5.1
105.07022	30.5
106.17875	1.6
107.04931	4.4
107.08589	37.0
109.06500	4.7
109.10155	46.6
111.08069	5.1
115.05482	1.7
117.07008	11.2
119.04956	1.6
119.08588	25.8
121.06504	6.0
121.10146	26.7
123.08085	3.8
123.11677	4.8
125.09633	5.7
128.06206	2.0
129.05576	2.1
129.06987	6.5
131.08580	19.7
131.34801	1.7
133.10121	20.0
135.08031	5.5
135.11696	18.1
137.09618	5.2
139.11182	1.9
143.08614	4.2
145.06433	1.9
145.10118	15.1
147.11674	9.0
149.09607	4.2
149.13284	8.7
155.10646	2.8
157.10139	3.4
159.11662	10.6
161.13261	2.8
163.11160	2.1
163.14828	1.9
169.10088	2.2
171.11693	5.4
173.11723	7.3
173.13257	7.0
175.11073	2.2
177.12627	2.2
184.07339	4.5
185.13170	1.9
187.14824	2.9
189.11230	3.3
201.09204	2.4
213.16423	2.7
215.17955	15.7
227.12804	7.3
229.14363	38.5
233.19025	18.0
239.17894	2.2
247.09790	4.9
257.19019	4.5
269.17490	10.6
275.20047	14.4
293.21140	2.0
307.22684	100.0
335.25845	12.4
335.29285	1.9
339.14542	2.8
349.23743	14.8
367.24619	8.7
452.27151	1.9
461.32660	36.6
465.67868	2.0
477.32043	3.2
482.05292	1.8
501.28876	2.2
501.35788	32.9
581.42096	27.1
599.43372	10.6
735.06635	2.0
738.34229	1.7
814.43567	2.9
815.44983	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	814.5314
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	14.2
57.07061	4.8
59.05007	3.4
63.56385	1.7
65.03940	5.0
67.05508	52.9
69.03445	3.2
69.07076	20.1
69.86227	5.1
71.05002	3.2
79.05022	1.8
79.05496	52.5
81.03427	6.3
81.07059	100.0
82.07378	2.5
83.04985	3.3
83.08614	7.2
85.02905	2.3
89.06023	3.1
90.22067	1.7
91.05484	27.3
93.07048	48.6
95.04975	8.7
95.08612	40.8
97.06552	7.4
97.10189	2.6
98.78823	1.7
99.08101	5.4
103.05474	1.8
105.07038	22.1
107.04972	5.8
107.08601	28.5
109.06509	7.5
109.10162	18.3
117.07017	10.5
119.08594	16.6
121.06496	4.7
121.10139	24.3
123.08039	2.9
123.11719	5.1
125.09616	3.3
127.07540	5.6
129.07025	2.9
131.08565	17.5
133.06503	2.8
133.10123	12.6
135.08076	6.3
135.11674	8.4
137.09634	4.4
137.13271	2.7
139.11206	2.0
141.07019	2.7
143.07011	3.6
143.08540	4.1
145.08630	2.9
145.10147	15.3
147.11703	7.0
148.93413	1.9
149.09641	8.1
149.13254	6.5
155.08560	2.6
157.10153	3.2
159.11696	7.2
161.13304	4.4
163.11172	2.1
167.10658	3.0
169.10132	4.9
171.10297	1.6
171.11668	3.3
173.09631	2.2
173.13309	5.3
177.07886	1.8
178.28676	1.8
184.07297	3.5
185.13289	3.6
187.11154	3.1
187.14769	4.5
189.12822	1.9
199.09700	6.6
201.11224	32.0
201.16463	7.3
205.12375	1.8
219.17383	2.4
224.80830	2.0
229.15909	5.8
233.39488	1.7
239.12926	2.6
241.14320	15.1
243.21098	4.0
247.09770	2.6
247.16922	13.3
257.57361	1.8
261.22195	12.0
265.18066	5.7
307.22699	2.0
317.24832	3.1
321.20599	13.2
335.25824	70.8
339.09384	1.7
339.21710	10.8
461.32675	10.3
501.35898	16.6
541.38593	4.0
581.41968	15.9
599.43176	14.2
770.40088	2.6
814.43646	4.6
815.49695	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	812.5155
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	29.7
57.07065	6.1
58.06598	1.6
59.04995	5.5
61.02918	4.4
65.03933	5.4
67.05506	77.1
69.03434	13.0
69.07069	55.5
69.57228	8.3
69.57635	4.3
71.04996	21.0
71.08611	4.2
73.02902	8.8
77.03922	1.9
79.05495	100.0
81.03426	24.3
81.07057	78.8
83.04976	14.3
83.08627	12.8
84.80304	1.7
85.02911	11.4
85.06517	3.4
89.06016	3.3
91.03916	2.4
91.05482	68.7
92.05813	1.8
93.07047	82.5
95.04958	19.2
95.08606	67.3
96.29749	2.2
97.02896	11.4
97.06529	64.8
97.10176	2.7
98.21475	1.9
99.04478	3.6
99.08112	10.9
101.08263	1.8
103.05476	3.5
105.04522	3.8
105.07033	48.0
105.98488	1.8
107.04961	12.4
107.08595	32.1
109.02891	3.5
109.06506	16.0
109.10165	20.6
111.04379	3.4
111.08062	7.3
113.05989	3.9
115.05442	5.4
115.07568	35.3
117.07016	20.8
119.08588	33.2
121.06493	6.6
121.10149	39.2
123.04439	2.5
123.08065	11.7
123.11673	4.9
125.09657	3.7
127.03905	5.2
127.07600	3.1
128.06224	7.1
129.05487	3.2
129.06984	18.2
131.08580	31.4
133.06488	8.8
133.08650	1.9
133.10117	26.2
135.08086	15.0
135.11696	12.4
137.05936	2.5
137.09641	4.7
139.11198	3.1
141.06998	5.6
142.07771	1.9
143.08554	13.6
145.04967	2.6
145.06465	3.3
145.10123	18.8
147.06979	2.3
147.08057	13.1
147.11661	11.0
149.05946	2.3
149.09624	18.9
149.13255	5.8
151.07520	3.6
151.11182	3.2
155.08539	4.7
157.10091	12.0
159.08070	2.9
159.11661	9.3
161.09595	11.1
161.13214	8.0
163.03940	2.1
163.11111	5.1
163.14906	2.4
165.09160	4.7
167.10637	5.9
169.10054	5.3
171.08038	2.2
171.11693	14.6
173.04419	6.3
173.09555	3.4
173.13283	9.2
173.14516	2.0
175.11153	8.6
175.14819	3.9
177.09055	6.8
177.12729	2.8
181.10138	3.8
183.11682	5.1
184.07336	5.2
185.09630	3.3
185.13274	5.3
187.11115	3.1
189.09097	2.2
189.11241	2.6
189.12772	8.6
191.10591	2.3
193.12308	3.0
197.13213	2.4
199.11194	2.7
199.14748	11.6
201.07559	3.8
203.10844	2.4
215.12752	7.1
217.15894	8.6
225.11145	2.9
227.14334	6.8
233.15404	3.6
233.18962	3.1
239.12741	2.4
241.14333	19.4
243.20854	2.0
245.15401	27.9
261.22101	8.7
263.16376	9.9
263.42355	2.3
273.18607	3.9
291.19543	3.3
307.22699	20.6
313.27539	11.1
319.19040	6.4
335.25827	64.4
336.25949	3.1
337.20074	8.0
383.24374	2.5
448.78976	1.9
453.35712	10.7
487.56641	2.4
501.35925	16.0
527.36987	2.8
539.37006	2.8
579.40021	2.3
597.41321	12.4
615.42126	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	812.5149
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	18.3
57.07075	4.1
59.04988	4.7
61.02899	4.8
65.03920	5.5
67.05507	80.7
67.44807	2.0
68.05793	2.5
68.09016	2.3
69.03426	16.7
69.07066	39.4
69.40324	16.3
71.01347	2.0
71.04984	15.7
71.08611	3.6
72.67700	2.0
73.02908	6.5
73.06520	2.4
77.03921	2.3
79.05494	100.0
81.03417	19.5
81.06608	4.0
81.07060	72.8
83.04967	9.2
83.08623	12.4
85.02891	9.3
85.06558	4.4
87.04443	6.5
89.06024	10.3
89.71101	2.0
90.06367	3.5
90.13305	2.1
91.05482	68.4
93.07044	81.7
94.07354	2.4
95.04984	21.1
95.08609	42.1
97.02905	14.2
97.05936	3.7
97.06534	63.1
97.10136	4.3
99.08086	4.3
103.05473	3.9
105.04501	5.1
105.07038	37.4
107.04945	8.1
107.08589	29.2
109.02885	5.5
109.06522	17.0
109.10152	18.5
111.08086	8.7
115.05437	4.0
115.07575	19.5
117.07032	18.5
119.08575	28.1
121.06485	9.1
121.10150	36.2
122.06834	2.6
123.08066	6.4
123.11670	6.1
125.09641	2.9
127.03899	7.4
127.07581	3.3
129.05472	3.1
129.06999	11.2
131.08560	24.4
133.06493	3.7
133.08551	5.8
133.10132	27.3
134.03345	2.1
134.08932	2.4
135.08070	12.7
135.11700	15.0
137.09613	3.5
143.08560	10.5
145.06508	3.1
145.10104	20.1
147.08023	7.0
147.11696	16.4
149.09618	9.3
149.13293	13.0
151.11189	3.8
153.06952	2.3
155.08527	4.6
157.10138	9.8
159.08057	3.8
159.11714	10.1
161.09665	4.1
161.13243	4.7
161.31978	1.9
163.03975	2.2
163.11194	3.9
165.09113	2.4
169.10098	4.6
169.12323	2.2
171.11676	8.6
173.04422	6.5
173.09636	3.7
173.13234	6.8
175.11198	3.6
175.14845	2.6
177.12704	3.4
177.43674	2.1
181.10080	3.8
183.11656	3.9
184.07277	2.5
185.13309	3.4
187.14839	2.1
189.12761	2.6
194.66226	2.0
195.11705	3.3
195.13777	2.2
197.13213	3.3
199.14761	2.6
201.12822	2.8
203.14330	2.3
213.16318	4.3
215.17949	7.7
217.15910	7.0
218.15858	2.0
231.17453	2.6
233.18921	5.9
245.18835	2.9
247.50621	2.1
267.16171	2.0
269.17389	9.8
273.18466	18.9
275.20090	2.5
291.19412	8.2
291.22510	2.9
307.19165	3.2
307.22662	72.7
311.23532	2.3
335.25793	5.1
347.22220	7.4
365.23257	4.9
445.94711	2.1
487.34567	2.4
501.35843	20.7
529.35120	3.6
539.37268	4.0
579.40594	4.6
581.41473	2.3
597.41541	14.6
600.14795	2.1
615.41852	3.4
812.43298	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	812.5149
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	11.8
57.07086	13.5
59.04990	9.0
60.88332	2.1
60.95273	2.1
61.02922	2.5
65.03928	3.4
67.05510	59.3
69.03422	4.3
69.07082	18.4
69.16558	21.3
71.04981	3.6
71.08634	19.3
72.08958	3.2
73.02898	3.7
73.06581	2.1
78.64905	2.0
79.05500	66.4
79.05972	3.8
81.03432	10.5
81.06595	3.9
81.07063	76.3
81.82771	1.7
83.04991	11.2
83.08621	16.8
85.02906	5.2
85.06538	3.7
85.10194	15.8
86.10516	2.2
87.04472	18.2
88.04781	2.9
89.06042	56.2
90.06359	8.4
91.05488	47.1
91.06379	2.1
92.05796	2.2
93.07048	62.1
95.04984	14.2
95.08607	35.8
96.09608	1.8
97.02882	3.9
97.06535	10.4
97.10175	16.6
99.04464	2.8
99.08117	3.8
103.05460	2.4
105.04551	3.2
105.07042	30.6
107.04934	8.0
107.08609	26.0
109.06507	12.1
109.10163	19.3
111.04441	9.2
111.08092	6.1
113.05983	2.5
114.84761	2.2
115.05470	2.2
117.07022	14.6
119.04984	2.6
119.07816	2.9
119.08595	30.6
121.06519	11.5
121.10158	26.3
122.06834	3.3
123.08096	15.1
123.11696	6.7
125.09654	14.0
128.06265	2.4
129.07002	6.6
131.07034	3.7
131.08563	17.3
133.06522	3.2
133.08620	35.1
133.10138	16.1
134.08945	8.5
135.08119	10.8
135.08978	2.5
135.11682	18.9
137.09627	3.2
139.11220	2.4
143.08560	6.1
145.10117	18.4
147.08052	7.2
147.11707	10.6
148.08453	2.1
149.09625	8.6
149.13268	5.7
153.12793	3.3
155.08630	3.3
157.10110	3.5
159.11688	9.4
161.09645	5.3
161.13222	3.9
163.11179	12.4
165.09174	5.3
171.11636	5.1
173.13223	3.3
175.09677	4.0
175.11183	3.7
175.14783	2.3
177.11292	11.0
177.12637	3.7
178.11586	4.5
181.12267	3.9
184.07408	7.7
184.12651	2.2
185.13255	2.6
189.11201	12.7
189.12711	2.4
191.10696	6.6
209.11679	2.5
213.16335	4.2
215.17989	7.6
227.12813	9.4
231.17383	2.8
233.18959	4.3
237.16283	2.3
247.20618	4.4
248.20953	2.5
273.18503	22.9
291.19516	40.4
291.23029	9.3
292.23499	8.7
293.23880	2.1
307.22717	100.0
309.20633	7.2
311.19913	2.4
335.25812	5.6
347.22195	8.7
365.23221	26.3
383.24136	9.7
579.40741	3.1
597.41571	31.9
615.42517	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	812.4582
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.9
61.02930	6.6
65.03940	0.9
67.05183	1.0
67.05509	14.6
68.62859	0.7
69.03426	3.2
69.07063	6.4
71.05000	0.7
71.48499	1.2
73.02913	2.2
76.15347	0.6
79.05087	0.7
79.05499	12.0
81.03399	2.1
81.07058	11.3
83.04983	0.9
83.08624	1.2
85.02922	5.5
91.03947	2.9
91.05491	7.1
93.07049	10.3
95.04968	1.5
95.08614	7.9
97.02879	4.1
97.06509	0.7
97.30625	0.6
101.02376	0.8
105.07022	3.6
107.04927	0.7
107.08621	3.7
109.10148	2.1
117.07025	1.2
119.08587	1.7
121.10148	3.0
127.03918	0.8
129.07024	0.8
131.08553	1.9
133.10141	1.1
135.11685	1.9
137.06059	0.7
145.04918	0.6
154.52254	0.7
156.08156	1.5
159.11632	0.8
164.86731	0.9
168.08102	1.3
174.09070	0.9
177.07823	0.8
180.62511	0.7
184.07541	1.9
196.07567	1.3
199.06209	1.8
200.07120	1.2
201.07851	23.6
202.08644	15.2
210.09109	1.1
214.08640	100.0
215.09178	3.3
226.08659	3.1
227.09378	5.3
228.10179	7.3
236.39311	0.8
238.08688	1.7
239.09392	1.4
240.10274	3.3
241.10962	1.4
243.08858	2.6
244.09639	1.1
252.10167	1.4
254.11800	3.3
256.09671	2.6
262.12210	1.0
268.13348	1.9
269.14368	0.8
270.14920	9.3
280.13260	4.4
282.14786	1.1
298.14395	63.7
299.14679	1.6
310.14371	2.2
312.15692	0.9
316.15482	7.0
322.14517	0.9
326.17548	1.6
328.15509	1.3
335.25711	4.5
340.15402	2.7
344.18875	0.8
358.16165	0.9
372.18048	2.9
390.18927	1.4
424.17584	1.0
436.17337	0.7
442.18695	1.3
460.19562	1.0
558.35522	0.8
604.04559	0.7
650.40546	85.4
651.41083	5.9
692.41675	12.0
776.43848	6.3
794.45020	6.0
795.47443	0.9
812.45416	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	810.5571
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07080	18.0
57.59389	0.6
59.05016	0.9
67.05492	2.4
69.03417	0.9
69.07070	2.1
69.53764	1.6
69.54171	3.0
71.08634	37.9
72.08968	0.7
73.02914	0.8
73.06552	3.9
79.05493	2.6
81.07073	1.8
83.08589	1.1
85.10186	21.1
87.03934	1.4
87.04470	31.7
89.06033	100.0
91.05487	13.6
93.07049	6.2
95.04979	1.4
95.08620	2.1
97.06523	0.9
98.20821	1.3
103.05486	1.7
105.07047	4.8
107.04955	3.2
107.07113	1.2
107.08586	3.8
109.06519	1.1
113.06055	1.0
117.07030	3.2
117.09145	2.2
119.04955	2.7
119.08559	5.1
121.06508	15.2
121.10150	2.3
123.08044	1.2
127.14841	1.5
130.08627	1.4
131.07045	12.9
131.08595	2.3
133.08612	64.4
135.08057	4.2
135.11708	1.7
136.05199	1.3
145.06499	1.3
145.10181	1.7
147.08051	8.1
147.11707	1.1
149.09657	3.3
149.16737	0.8
150.06760	1.1
159.11716	1.3
161.09669	0.7
163.11195	2.5
165.09142	5.0
167.10718	2.2
175.09708	8.6
175.11157	1.1
177.11234	22.6
177.12668	1.5
184.07439	0.8
191.10695	3.0
193.12352	2.5
209.11816	2.1
211.13307	2.5
219.12318	2.4
221.13872	4.1
235.13348	1.5
247.20581	16.0
253.14575	0.8
255.15982	1.9
265.16608	1.5
273.22226	4.7
279.15894	1.9
283.17499	1.4
289.21841	0.8
289.25269	2.2
291.23199	25.6
292.23273	0.8
299.18610	1.5
304.79407	0.8
309.19171	1.2
317.24811	2.7
335.25806	4.9
403.65466	0.7
438.26065	0.7
613.40710	1.1
793.52893	2.3
810.55530	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	808.5568
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	20.6
57.07070	8.8
58.06601	12.3
59.04992	35.1
67.05507	86.5
69.07068	27.4
69.46352	42.0
69.46772	15.7
79.05500	64.9
81.07053	79.4
83.08616	20.0
89.06058	11.3
91.05486	70.1
93.07042	100.0
95.04958	10.2
95.08604	72.1
99.08144	8.0
105.07051	83.2
107.08607	51.0
109.10152	20.6
117.07026	19.1
119.08584	68.3
121.10141	40.4
128.06221	7.5
129.07011	13.9
131.08592	37.5
133.10161	39.6
135.11716	29.4
143.08597	15.9
145.10161	27.8
147.11670	32.2
149.13298	11.9
157.10172	10.5
159.11737	30.3
161.13290	25.7
171.11630	14.0
173.13318	17.1
175.14857	15.0
177.17888	9.1
183.11745	10.0
185.13356	10.1
199.14795	8.6
236.14970	32.7
241.19572	26.4
259.20590	49.7
261.22171	11.5
333.24387	43.0
335.25717	93.9
496.42538	9.4
519.41748	9.8
611.46600	47.7
772.81921	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	806.5414
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	11.7
57.07075	4.6
58.06604	11.2
59.05006	19.9
59.07389	2.2
61.02918	2.0
64.80928	2.4
65.03941	3.0
67.05508	46.4
69.07075	16.0
70.81461	2.4
71.04990	3.7
71.49478	2.4
71.49851	3.1
79.05497	34.3
81.03411	4.7
81.07059	52.3
83.04979	4.7
83.08608	6.9
85.06546	3.5
86.09731	2.5
87.04466	3.6
89.06045	2.8
91.05486	40.9
93.07044	41.0
95.04955	5.9
95.08612	31.6
97.06504	7.8
97.10209	2.3
105.07035	37.6
107.04951	9.8
107.08576	15.3
109.06532	5.2
109.10143	8.9
111.08132	3.7
113.27039	2.1
115.64470	2.0
117.07010	14.1
117.09135	4.0
119.08596	23.6
121.06493	3.8
121.10118	13.1
123.08054	2.9
125.00018	2.5
129.07011	2.2
129.90527	2.0
131.08582	17.8
133.06424	2.7
133.10146	18.2
135.11697	8.7
143.08560	3.1
144.10297	2.5
145.10129	9.3
147.11655	8.8
149.09615	3.6
149.13309	3.4
159.11708	8.4
163.02184	2.3
169.10184	2.6
171.11653	2.4
173.13248	4.3
175.13197	2.2
177.12831	2.4
179.14278	3.2
184.07326	5.9
219.17442	45.7
236.14952	16.8
238.73174	2.5
257.18979	3.0
262.25259	2.6
275.20099	29.8
293.21060	2.9
313.34637	2.3
335.25833	63.6
349.23700	16.3
427.94565	2.6
609.45081	100.0
610.45227	5.0
623.63135	2.4
788.55646	7.1
806.56891	8.4
807.51733	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.6042
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.9
57.07080	27.4
58.06591	0.9
59.04996	2.8
61.02926	0.9
61.91719	0.6
63.07425	0.7
67.05517	3.2
69.03433	1.3
69.07069	5.7
69.54462	2.3
69.54896	2.1
71.05000	1.0
71.08241	1.4
71.08636	27.8
73.02945	1.3
73.06560	10.2
79.05497	2.8
79.37813	0.6
81.03423	1.5
81.07063	4.8
83.08621	4.1
85.02890	0.6
85.10186	16.8
86.09707	0.8
87.04473	12.8
89.02392	2.6
89.06036	100.0
91.05490	2.6
91.07597	1.1
93.07039	4.5
95.04985	2.7
95.08607	4.4
97.02929	0.9
97.06542	1.2
97.10180	4.7
98.20763	1.2
99.11738	3.0
103.07580	1.6
105.07034	6.9
107.07082	2.5
107.08609	4.1
109.06509	0.9
109.10162	0.9
111.11720	3.3
112.07574	0.7
113.06048	0.8
113.13305	1.9
117.05526	1.1
117.07052	0.8
117.09141	9.8
119.08588	2.2
120.90540	0.7
121.10129	1.0
125.09617	1.4
125.13277	1.4
127.14864	1.0
130.08661	2.4
131.07042	4.2
131.08595	2.3
133.08612	50.7
133.10207	2.4
134.08958	0.6
135.08057	0.9
135.10161	1.3
135.11705	1.0
139.11217	0.7
139.14923	0.8
140.07135	0.7
141.16411	1.1
143.08472	0.7
149.09619	0.8
149.13272	1.6
155.18015	0.6
159.11714	1.2
161.11771	2.2
161.13206	1.3
173.13385	0.8
175.09637	3.2
177.11234	22.0
184.07405	2.1
191.71896	0.6
197.22653	2.8
219.12320	1.0
221.13895	2.8
221.15523	2.2
236.15042	0.8
239.14987	0.7
241.25336	2.1
265.16534	1.5
283.17514	0.9
285.27872	4.5
309.19382	0.7
313.27487	2.5
323.36850	0.7
329.30710	2.3
560.09998	0.6
787.56775	1.6
804.49078	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	804.5243
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05017	2.2
57.03426	3.1
58.06602	65.9
59.04991	2.1
59.06104	2.8
61.02914	4.0
67.05505	13.3
69.03412	1.4
69.07072	4.8
70.06565	1.2
71.49463	1.5
73.02901	1.6
79.05074	1.5
79.05495	19.3
80.05019	2.9
81.07054	12.5
82.06570	2.9
83.08628	1.4
84.04503	1.3
84.08131	2.6
85.02902	1.5
89.06055	1.1
91.03964	1.2
91.05480	13.6
93.07044	14.9
94.06570	7.9
95.04974	2.8
95.08604	8.9
96.08121	2.7
97.02856	2.8
97.06511	1.2
105.07030	8.1
106.29259	1.0
107.04937	1.2
107.08585	5.4
108.08096	1.6
109.06499	1.3
109.10184	2.3
110.09623	1.3
112.07587	1.3
117.07027	3.5
119.08581	4.7
120.08080	1.4
121.10112	3.5
122.09653	1.6
124.11203	4.5
129.07025	1.7
131.08534	1.8
133.10123	4.2
134.09656	1.4
135.08046	1.2
135.11673	2.1
136.11186	1.2
145.10095	3.1
147.11670	2.4
152.10675	2.3
157.10165	1.9
159.11732	1.4
164.14374	2.0
170.66168	1.0
171.11769	1.1
184.07314	1.2
217.27440	1.0
267.11105	1.2
290.21143	1.9
300.27652	1.1
307.22690	6.7
318.24448	2.1
319.49329	1.1
335.25891	2.8
364.24725	2.0
382.25690	1.4
392.27719	1.8
403.46997	1.2
544.40131	2.4
584.43121	1.5
624.46008	6.7
625.71552	1.2
642.47290	100.0
643.47552	5.6
696.94489	1.0
726.49567	1.4
786.51025	1.6
790.22028	1.2
804.52295	15.1
805.51233	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4887
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04992	1.1
65.03938	0.3
67.05497	0.6
68.33997	0.3
69.03430	0.5
69.48808	1.7
73.02911	0.9
73.06548	1.5
77.03925	0.7
79.03848	0.4
79.05490	7.5
81.03421	0.6
81.07047	0.7
87.04467	9.9
89.06028	56.3
91.05479	11.6
91.05938	0.3
91.07598	0.5
93.07043	1.6
95.04985	2.2
98.71308	0.3
103.05466	8.1
105.07029	100.0
106.07385	0.9
107.04958	2.9
107.07057	0.8
107.08614	0.6
107.42188	0.3
115.05501	0.5
115.07536	0.3
116.06258	0.6
117.07005	1.8
117.09122	1.3
119.04935	1.5
119.08577	5.8
121.06501	16.3
122.95940	0.3
128.06155	1.8
129.07016	4.1
130.08614	0.7
131.07080	3.2
131.08568	9.8
132.05688	0.9
133.08601	36.4
133.10187	1.2
134.08902	0.5
135.08052	0.9
135.10181	0.5
145.06491	1.0
147.08046	40.0
148.08371	0.8
149.09613	8.0
151.07683	0.3
155.06114	0.3
163.11191	0.3
165.07025	0.5
165.09109	1.2
166.07707	0.4
173.09584	1.1
175.09698	2.3
175.11105	0.5
177.11230	12.2
179.08537	0.5
181.10091	1.5
191.10641	0.6
192.09352	0.4
193.12337	0.4
208.08989	0.5
209.09634	0.5
209.11540	0.4
221.13857	2.0
222.10304	0.4
223.11191	1.9
225.12733	21.6
227.12732	0.5
249.12782	3.0
251.14340	3.3
265.16379	0.6
267.13770	0.6
269.15353	3.8
276.05542	0.4
295.16736	0.5
309.18839	0.4
311.16321	1.0
313.17871	1.5
327.17270	0.5
329.18903	0.4
347.64941	0.4
373.21637	6.4
374.21948	0.6
416.62646	0.4
473.03595	0.3
683.39948	0.9
787.45789	0.6
804.48621	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4887
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03909	0.3
67.05497	0.8
67.78759	0.3
70.10744	1.5
73.02922	1.0
73.06557	2.2
77.03942	0.8
79.05491	7.7
81.03383	0.5
81.07082	0.7
86.61707	0.3
87.04462	8.8
87.04979	0.5
89.06028	54.4
89.27750	0.3
91.05475	11.3
93.07038	2.5
95.04953	2.3
95.08582	0.5
103.05464	8.2
105.07027	100.0
105.46532	0.3
106.07362	1.4
107.04965	2.4
107.07082	0.9
113.06040	0.5
115.05466	0.8
117.07025	2.3
117.09118	1.3
119.04948	1.5
119.08574	6.6
121.06499	16.1
128.06226	1.5
128.97827	0.3
129.07008	4.5
130.08618	0.7
131.07057	3.3
131.08557	9.1
131.09540	0.6
132.05708	1.1
133.08600	33.1
133.10184	1.1
135.08063	0.4
145.06473	1.2
145.10098	0.4
147.08041	39.6
148.08437	0.4
149.09619	9.0
155.08548	0.4
163.07518	0.5
163.11243	0.6
165.07066	0.5
165.09102	1.1
173.09630	0.7
175.09688	2.0
175.11002	0.5
177.07892	0.5
177.09650	0.7
177.11212	11.3
181.10104	1.5
184.07402	0.7
191.10658	0.7
207.11674	0.5
208.08812	0.6
209.11664	0.9
219.12161	0.5
221.13840	2.2
223.11197	2.5
225.12740	22.7
226.13063	0.6
227.12480	0.4
249.12769	3.1
251.14301	3.3
265.16547	0.9
267.13840	0.9
269.15369	3.2
295.16940	0.5
309.19055	0.5
311.16400	0.6
313.17969	1.7
327.17297	1.4
329.18832	0.8
373.21591	5.9
421.92978	0.4
662.43353	0.6
683.39526	0.8
787.46118	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.4755
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	3.5
59.05000	2.0
59.06099	0.8
61.02924	5.7
65.03954	0.9
67.05514	6.2
69.03429	4.6
69.07063	2.7
71.01377	0.7
71.04993	1.2
71.08630	0.9
73.02907	3.9
79.05491	6.3
81.03432	2.5
81.07053	5.9
83.04955	0.8
83.08627	1.2
85.02899	4.5
87.04501	0.7
91.03967	3.6
91.05476	5.7
93.07041	5.3
93.45005	0.6
95.04947	1.1
95.08605	4.2
95.23800	0.7
97.02892	5.7
97.06525	0.7
97.10170	0.7
99.04475	1.4
101.02406	2.1
105.07029	4.7
107.08588	3.1
109.02884	0.8
109.10168	1.9
117.07057	1.2
119.08606	1.7
121.10166	2.3
123.08068	0.8
127.03910	1.3
130.65176	0.7
131.08545	1.6
133.08594	0.9
133.10143	1.0
135.08131	0.7
135.11746	1.1
145.10149	1.1
149.09683	0.9
167.42398	0.7
184.51260	0.8
185.04132	0.8
193.51917	0.6
235.97224	0.6
243.08464	2.5
243.65895	0.6
283.15451	1.0
305.17426	1.2
313.27484	1.0
330.56104	0.7
409.00336	0.7
411.16425	1.1
519.29303	4.2
523.24988	5.0
801.47522	100.0
802.47845	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.5675
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	19.1
57.07081	47.6
58.06633	1.4
59.05004	13.0
61.02930	4.0
65.03932	2.7
67.05511	54.8
69.03437	7.9
69.07073	25.5
69.21429	15.9
71.04990	5.8
71.08637	33.9
73.06560	6.7
78.21056	1.7
79.05496	38.2
81.03423	13.3
81.07064	73.6
83.04993	8.5
83.08633	21.1
85.02899	6.7
85.06559	3.6
85.10185	18.1
87.04482	3.2
89.06026	4.8
89.62173	1.5
91.05486	38.4
93.07049	34.9
95.04984	8.4
95.08617	41.5
97.02892	5.6
97.06532	11.1
97.10170	7.0
99.04461	2.6
99.08102	2.2
100.14375	1.5
101.14831	1.4
103.05516	2.0
103.07593	2.3
105.07037	29.7
106.06533	2.2
107.04961	6.2
107.08606	24.2
109.06514	5.0
109.10159	18.0
111.04449	1.8
111.08089	3.5
111.11702	1.5
113.09653	1.5
115.05533	2.4
117.07030	16.4
117.09106	1.8
119.04845	1.7
119.08593	20.6
121.06489	2.7
121.10146	13.5
123.08117	3.6
123.11710	5.7
125.09589	2.8
127.03934	2.2
129.07030	5.8
131.08578	13.1
132.04794	2.9
133.06380	1.7
133.10126	15.6
135.08046	3.6
135.11691	11.4
137.09607	2.7
137.13269	1.7
137.99243	1.6
139.11249	1.9
143.08603	4.5
145.10112	11.6
147.11691	6.7
149.09630	6.5
149.13263	6.7
151.11151	3.0
157.10052	3.9
159.11661	8.9
161.13333	1.6
163.11218	5.8
169.10112	2.2
171.11649	2.3
173.13269	4.7
177.12776	2.7
179.14296	2.1
183.11719	3.4
195.13850	3.5
197.13225	1.8
217.15962	2.5
219.17487	2.2
229.14267	3.5
239.18076	2.1
239.23741	9.6
247.20663	1.8
255.15948	9.9
257.19031	9.2
257.24854	3.1
269.17471	25.4
275.20099	24.9
285.76648	1.6
309.20514	4.2
313.27386	100.0
314.27740	2.6
331.22662	2.1
349.23679	20.3
360.10419	1.9
367.25235	1.9
383.27811	1.7
413.21869	2.7
463.23526	2.4
467.37268	2.1
493.38870	14.5
507.40536	62.5
507.48087	3.5
508.40698	4.8
521.41205	2.0
547.43750	10.9
587.38153	2.0
587.46649	23.4
588.46271	2.3
605.47418	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	799.4603
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	3.0
57.07084	0.8
57.51898	0.5
58.06606	0.7
59.05013	1.3
60.08157	0.9
60.41587	0.5
61.02928	8.3
61.87417	0.5
63.67042	0.5
65.52633	0.5
67.05508	8.1
69.03436	4.7
69.07068	2.6
69.23593	5.4
71.01352	0.8
71.05012	0.9
73.02917	5.9
73.86004	0.5
79.05492	9.1
81.03429	3.0
81.07055	8.8
82.07384	0.5
83.05003	1.1
83.08644	1.6
85.02917	6.2
85.06525	0.5
87.04475	0.8
91.03982	4.4
91.05491	6.6
92.17886	0.5
93.07042	7.5
95.04994	1.5
95.08605	5.7
95.09090	0.5
97.02889	6.1
97.06541	0.6
97.10163	0.7
99.04475	1.6
101.02388	2.3
105.07024	4.3
107.04975	0.8
107.08592	3.5
109.02911	1.2
109.06524	1.3
109.10171	2.0
117.07064	0.8
119.08609	2.2
121.06462	0.6
121.10138	2.6
123.08112	1.0
125.09616	0.7
127.03933	1.8
129.05577	0.6
129.07072	0.8
131.08604	1.6
133.10143	2.7
135.11746	1.6
145.10138	1.2
147.11739	1.1
149.09645	0.8
159.11737	0.6
184.07372	1.3
185.04279	1.0
193.12257	0.6
213.73097	0.7
236.15018	1.5
243.08441	3.1
255.95761	0.5
301.08975	0.7
307.22723	1.6
313.17801	1.5
313.27457	1.1
331.18771	5.0
354.37268	0.6
373.11346	0.6
491.26242	11.1
531.25818	1.0
549.26758	2.1
563.28461	0.8
701.38812	2.5
781.44855	11.5
781.58435	0.6
799.46002	100.0
800.46222	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	799.4613
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.5
57.07069	4.1
59.05003	4.1
59.26757	0.9
60.29480	0.8
61.02930	4.2
64.00642	0.9
65.03943	1.0
67.05502	6.0
68.94604	1.0
69.03430	2.6
69.07069	3.2
71.08644	3.0
73.02916	3.2
79.05510	3.7
81.03407	1.8
81.07060	6.7
83.05014	1.1
83.08621	1.6
85.02917	3.8
85.10189	2.2
87.04512	1.4
89.06059	2.6
91.03967	2.0
91.05499	3.4
93.07034	4.1
95.04999	1.0
95.08598	5.5
97.02896	2.9
97.10219	1.2
99.04446	1.1
101.02393	1.7
105.07041	2.9
107.08582	2.3
109.10217	1.5
117.06982	1.0
117.09141	1.3
119.08614	1.4
121.06522	1.1
121.10157	2.0
123.08092	1.6
131.08600	1.4
135.08092	1.1
145.10190	1.1
157.10240	0.9
185.04285	1.6
236.14870	2.0
243.08548	1.3
257.70557	0.9
261.14285	1.0
285.14822	1.9
303.15710	2.3
503.22934	1.4
514.18591	1.1
515.29260	0.9
519.29224	5.6
521.23633	3.1
730.37994	0.9
760.10516	1.0
781.44604	10.2
781.56787	1.4
799.45612	100.0
800.46423	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	799.4604
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	3.1
57.07096	1.1
58.06600	1.2
59.04992	2.1
61.02933	4.7
67.05509	8.8
69.03429	3.0
69.07077	2.8
71.08630	1.0
71.49771	1.3
73.02914	4.3
78.06026	0.7
79.05494	6.2
81.03405	2.1
81.07064	8.1
83.04983	1.0
83.08633	1.1
85.02904	5.1
85.10205	1.1
87.04470	1.2
89.06035	0.8
89.11467	0.9
91.03972	2.7
91.05476	5.1
93.07046	6.1
95.08607	5.8
95.31662	0.7
97.02888	5.3
97.06516	1.5
97.10192	1.4
99.04501	0.9
99.08095	1.0
101.02332	1.1
105.07022	4.1
107.08616	2.7
107.49165	0.8
109.10155	2.6
117.07027	1.1
119.08578	2.3
121.10196	3.4
125.09599	1.0
127.03922	1.9
129.07092	0.9
131.08609	1.7
133.10176	2.8
143.08606	1.1
145.10150	1.2
149.13324	1.0
159.11630	1.4
236.14943	1.9
243.08476	1.7
243.15581	0.9
309.24289	1.7
313.27332	1.1
331.19052	2.8
491.25894	6.1
500.90298	0.9
549.26636	2.0
560.73694	1.0
781.44482	1.5
799.45966	100.0
800.46045	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	799.4601
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	2.4
58.36934	0.4
59.04992	1.4
61.02930	4.8
67.05507	6.8
69.03431	3.6
69.07069	2.1
69.45533	3.5
71.01344	0.4
71.04989	0.7
71.08630	0.7
71.49456	0.4
73.02920	4.5
79.05493	7.5
81.03422	2.1
81.07056	6.7
82.07399	0.9
83.08613	1.0
85.02911	5.1
89.06059	0.8
91.03967	2.6
91.05470	3.6
93.07043	5.5
95.04987	1.3
95.08608	3.9
97.02898	3.8
97.06489	0.7
97.10184	1.3
99.04481	1.1
101.02374	1.5
101.06004	0.5
102.70181	0.4
105.07032	3.0
107.04987	1.0
107.08617	2.0
109.02883	1.1
109.10162	1.3
115.03957	0.6
117.07004	0.9
119.08581	1.4
121.10149	2.3
123.07991	0.6
125.09695	0.7
127.03915	1.4
131.08549	1.8
133.10141	1.0
134.10445	0.5
135.11719	1.7
145.10150	1.4
147.11761	0.7
149.09630	0.6
157.10005	0.5
163.11136	0.6
173.53365	0.5
184.07402	0.5
185.04274	0.8
197.90201	0.4
220.52002	0.5
236.14934	0.8
243.08249	2.4
291.19678	1.0
296.44101	0.5
299.15063	0.9
313.27356	1.3
331.18906	1.6
337.26593	0.5
402.68399	0.5
475.45288	0.5
491.26190	8.6
536.66644	0.5
549.26801	1.8
584.43219	0.6
774.16687	0.5
786.51123	0.6
799.45990	100.0
800.46350	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	799.4602
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.8
57.07073	1.4
58.06595	1.0
59.04995	1.5
59.93339	0.5
61.02935	4.7
67.05511	7.6
69.03432	3.6
69.07076	5.1
69.80457	0.9
69.80841	1.8
71.04992	1.0
71.08631	0.7
72.73821	0.5
73.02925	3.7
79.05500	6.4
80.52853	0.5
81.03428	3.0
81.07059	10.7
83.04994	1.4
83.08606	1.3
85.02927	4.2
85.03352	0.7
87.04511	0.8
89.06055	1.1
91.03967	2.1
91.05497	4.4
91.05993	0.8
93.07044	5.7
95.04991	1.2
95.08607	4.3
96.08956	0.7
97.02904	4.5
97.06518	1.6
97.10149	0.9
98.20771	1.1
99.04443	0.7
99.08064	0.9
101.02386	2.2
105.07016	4.2
107.08614	2.7
109.02861	1.0
109.10139	2.5
117.07037	1.3
119.08594	2.8
121.10159	3.4
123.08087	0.6
123.11742	0.6
127.03934	1.7
129.06990	0.7
131.08572	2.1
133.10136	1.4
135.11705	1.6
138.41573	0.6
143.07031	1.1
144.10199	0.7
145.10182	1.7
147.08031	0.6
149.09570	0.9
157.10034	0.6
159.11769	0.6
162.11278	0.6
180.39053	0.6
182.36510	0.5
184.07535	0.6
185.04205	1.1
212.65132	0.5
225.51852	0.6
236.15047	1.7
243.08426	3.5
269.17514	0.9
303.06885	1.1
303.15802	1.2
309.24405	2.1
310.24731	1.7
313.27515	0.7
335.25870	1.5
502.36548	0.7
504.37766	2.1
519.29132	5.9
521.23792	5.6
591.32324	0.6
763.55920	0.7
778.96973	0.6
781.55792	0.8
799.45966	100.0
800.46277	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	799.4319
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	19.1
57.07081	19.5
59.05004	2.4
61.02931	59.0
67.05509	9.3
69.03435	22.0
69.07082	6.3
71.01342	2.3
71.04993	2.8
71.08635	16.5
71.28745	2.3
73.02924	20.2
75.04485	1.5
77.96238	0.9
78.80669	1.0
79.05492	4.4
81.03424	20.9
81.07071	11.9
83.04990	2.3
83.08619	7.7
85.02909	77.8
85.10193	8.5
87.04461	3.4
89.06015	1.8
91.03962	42.5
91.05495	2.6
93.07055	1.2
95.04971	1.7
95.08611	14.7
97.02898	60.9
97.10180	3.5
99.04466	11.4
101.02402	3.9
103.03955	10.6
103.07557	1.2
105.07049	2.5
107.08602	1.1
109.02885	11.8
109.10173	8.1
109.71781	1.0
111.04388	1.6
111.56042	1.0
115.03931	7.8
117.05532	2.4
119.08580	1.2
121.10177	1.0
123.11684	2.7
127.03000	1.8
127.03923	31.1
127.04825	2.3
128.14026	1.0
129.05504	4.9
131.08669	1.3
133.63980	1.1
137.05937	1.2
137.13347	1.4
141.05466	1.2
145.04970	28.6
155.06964	1.5
159.06526	2.3
163.06021	15.6
171.06505	2.4
183.06540	13.3
184.07381	2.1
186.17372	1.1
201.07620	12.1
219.08719	3.0
239.23717	16.9
257.24783	2.2
311.25751	1.2
313.27386	100.0
314.27634	3.3
331.28558	2.2
335.12762	1.1
335.25833	1.7
341.27048	6.0
348.02933	1.1
355.28516	5.3
367.28574	1.6
383.27905	3.5
385.29480	2.5
397.29520	4.1
401.28876	1.9
409.87683	1.1
421.29446	3.8
439.30487	4.5
457.31628	24.3
475.32550	4.0
799.42206	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	799.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84708	0.4
55.95930	0.3
56.19487	0.4
56.77461	0.4
61.85376	0.4
62.66757	0.4
65.75719	0.4
69.07091	0.5
70.77493	0.8
70.77826	0.6
72.01482	0.4
81.03392	0.4
91.05464	1.3
96.08153	0.5
97.06578	2.3
117.07027	3.0
119.04940	0.6
119.08574	1.1
131.08546	0.6
137.05969	1.4
143.08650	0.5
145.06506	0.4
155.08551	1.7
173.06001	2.6
182.10860	0.4
183.11685	0.6
187.98116	0.4
197.13312	1.2
207.11711	0.5
216.10202	29.3
217.10483	0.9
225.12756	1.2
233.11758	1.8
250.14398	1.8
253.12201	2.7
270.14905	21.2
271.15097	0.6
302.17517	100.0
303.17764	3.1
417.88550	0.5
425.38705	0.4
452.62015	0.4
550.23853	0.4
655.24243	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.5173
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.9
57.07077	0.7
59.04997	1.4
61.02616	0.4
61.02930	7.1
67.05505	5.4
69.03436	4.3
69.07063	1.4
70.79910	0.5
70.80227	0.8
71.01350	0.5
71.05000	0.6
71.08628	1.0
72.57688	0.4
73.02917	5.6
79.05504	4.9
81.03419	1.6
81.07058	6.4
83.08616	0.9
85.02906	6.2
85.10191	0.5
89.06017	0.4
91.03953	3.7
91.05490	2.4
93.07050	5.3
95.08617	4.8
95.86429	0.5
97.02892	6.7
99.04493	1.4
101.02368	2.3
103.03944	0.6
105.07033	1.6
107.08597	2.5
109.02853	0.6
109.10162	1.9
115.35287	0.4
117.07050	0.6
119.08614	1.1
121.10161	1.8
123.11751	0.8
127.03933	1.4
131.08583	0.4
133.10133	0.6
135.11691	0.9
135.77173	0.4
136.59033	0.4
149.13187	0.4
173.13362	0.5
184.07291	0.7
185.04269	0.9
204.70671	0.5
243.08458	1.2
322.05450	0.5
335.25778	0.6
389.47757	0.4
450.51700	0.5
519.29333	15.5
520.30023	0.7
667.46576	0.7
791.10364	0.5
797.51740	100.0
798.52130	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	797.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	0.2
65.03944	0.2
67.05495	0.4
71.03193	0.3
71.03515	0.2
75.86015	0.2
79.05486	0.9
80.05032	0.4
81.03435	0.4
81.05790	0.3
81.07053	0.5
85.02904	0.3
91.05488	0.7
91.78748	0.2
92.05031	0.2
93.07047	0.4
94.06573	1.2
95.08571	0.3
96.04517	0.2
97.02881	0.3
105.07040	0.9
106.06559	3.0
107.07339	12.5
108.08150	0.4
119.04955	0.2
119.08616	0.2
120.08130	1.0
121.08894	0.4
122.06131	1.5
122.09671	100.0
123.10014	1.4
136.07574	2.0
137.05925	0.3
140.07066	0.2
147.04454	0.2
149.08401	0.2
150.09138	1.8
162.05505	0.6
162.09209	0.2
164.07059	2.2
164.10754	0.4
166.08656	1.9
174.09099	0.2
176.10748	0.3
177.06645	0.5
181.09740	1.6
188.07056	0.5
191.08168	1.6
202.08643	1.4
203.08218	0.4
205.09723	0.3
216.10284	0.2
220.09668	0.9
230.08183	1.2
235.10718	0.3
238.80350	0.2
245.09189	0.3
248.09242	0.7
254.08191	0.3
259.10919	0.2
261.08704	0.9
261.12247	0.2
263.10291	0.3
272.09277	0.8
279.09897	0.2
284.15128	0.6
287.10321	0.6
289.08548	0.2
289.11859	0.6
305.07727	0.2
307.12836	1.2
313.15372	0.3
333.10999	0.2
340.13074	0.2
380.15936	0.3
390.18341	0.3
398.17081	0.6
408.19034	0.4
410.20944	0.4
436.18805	1.0
452.18027	1.2
454.19733	0.3
470.12534	0.3
470.19263	6.5
573.26715	1.9
591.28247	2.7
599.25140	1.4
617.25861	2.1
798.37848	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13538	0.7
63.42590	0.7
66.96489	0.7
67.05508	0.9
69.72821	3.3
69.73228	1.6
72.02885	0.7
79.05492	1.6
80.05007	0.9
81.03439	1.1
81.07053	1.1
85.02912	1.1
91.05486	3.4
93.07056	1.1
94.06546	2.2
95.08675	0.7
105.07035	1.6
106.06577	2.9
107.04944	0.7
107.07340	11.3
107.08546	0.8
108.08139	1.1
119.08646	0.9
120.08100	1.8
122.06046	2.0
122.09673	100.0
123.10015	1.3
131.07330	1.2
131.08650	1.2
134.09631	1.3
136.07591	3.8
137.05951	0.9
144.34799	0.9
146.09610	1.8
147.04346	1.2
148.07500	1.1
148.11166	4.3
150.09116	1.9
156.67738	0.7
162.05542	0.9
164.07066	2.9
166.08617	5.7
174.09204	1.4
176.10733	11.0
181.09818	1.3
187.08754	0.7
189.10289	0.9
191.08179	1.3
201.06625	1.5
202.07336	3.3
202.08722	3.1
215.08229	1.1
217.09714	6.6
220.09653	14.2
227.08031	1.0
230.08147	1.8
235.10791	1.1
243.07736	1.3
243.11369	1.2
245.09192	0.9
257.09128	1.8
259.10870	1.3
261.08722	53.2
262.09052	1.3
285.08612	1.1
287.10175	6.3
289.11658	0.8
302.12952	1.4
305.07791	4.1
307.12842	1.2
313.08246	2.2
330.82037	1.0
344.17792	1.2
346.19193	1.4
347.17612	0.8
374.62726	0.8
390.18088	7.2
398.17181	9.0
418.17697	3.2
434.17578	0.9
436.18732	16.2
452.18347	1.2
470.19263	5.7
493.42728	0.8
527.26550	0.9
537.90692	0.8
555.25879	3.0
573.27063	32.6
574.27618	2.5
581.23907	2.1
591.28113	7.1
599.25214	8.2
617.25830	4.5
635.33179	1.3
797.36816	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28742	0.3
62.84849	0.3
67.05495	0.6
68.13779	0.3
70.38808	1.1
79.05484	0.4
80.04995	0.5
81.03396	0.3
81.05802	0.4
91.05484	0.8
93.07029	0.6
94.06576	1.2
95.08563	0.3
105.06996	0.8
106.06554	2.7
107.07342	13.0
108.08143	0.3
120.08115	1.1
121.08890	0.6
122.06054	1.2
122.09673	100.0
123.10011	1.4
124.11240	0.4
129.03419	0.3
136.07599	2.5
144.41637	0.3
147.04370	0.4
148.11176	0.3
150.09129	1.8
162.05507	0.6
164.07092	1.9
164.10728	0.4
166.08652	2.4
176.10799	0.5
177.06575	0.6
181.09735	1.9
186.28467	0.3
188.07135	0.4
191.08211	1.6
202.08688	1.2
217.09735	0.4
220.09682	0.6
230.08121	1.9
235.10936	0.4
235.16058	0.3
244.09572	0.3
245.09184	0.5
248.09157	0.8
259.10822	0.3
272.09161	0.5
284.15112	0.4
287.10327	0.4
289.11951	0.5
307.13052	0.7
436.18561	0.8
450.16388	0.4
452.18518	1.6
470.19321	6.7
573.27087	2.0
575.25092	0.5
591.28070	2.8
599.24634	1.6
617.25763	1.9
790.34375	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	0.7
65.03944	0.5
67.05522	1.8
69.03431	0.4
69.07068	7.0
74.52778	0.3
79.05490	7.8
79.93980	0.3
91.05482	7.8
97.06532	84.6
98.06863	0.9
109.06523	0.4
119.04942	6.1
133.06514	0.8
135.04391	0.8
137.05980	59.6
138.06281	0.6
147.04402	4.4
149.05994	1.2
163.07498	0.4
173.05946	0.5
189.09084	7.2
189.10760	0.5
191.10750	0.8
205.12209	0.5
215.10674	1.2
231.17313	0.3
233.11729	75.0
234.12114	1.7
242.62361	0.3
250.14388	100.0
251.14713	2.0
536.62219	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.5203
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	20.1
57.07078	5.2
59.04992	8.4
61.02918	6.4
61.45231	2.3
65.03947	4.4
67.05509	84.5
69.03417	8.6
69.07076	21.8
71.04995	5.7
71.08643	4.4
71.40757	2.6
73.02914	3.3
77.03923	4.4
79.05500	100.0
80.05819	2.7
81.03417	8.2
81.06592	4.8
81.07060	81.0
82.07372	3.5
83.04958	10.8
83.08621	13.6
85.02892	8.0
85.06512	2.3
90.69484	2.0
91.03928	3.7
91.05486	70.6
93.07049	85.3
94.07388	3.6
95.04962	11.8
95.07999	2.6
95.08609	48.6
97.02898	7.7
97.06525	9.2
97.10220	3.5
99.08061	5.2
103.03934	2.5
105.04526	4.5
105.07037	57.0
107.04963	5.0
107.08595	37.5
109.06514	6.6
109.10176	21.0
111.08128	5.5
115.05498	2.8
117.07026	20.5
119.08601	34.9
121.06540	5.5
121.10158	39.5
123.08067	6.2
123.11769	4.6
125.09579	5.0
127.03951	2.8
129.05487	4.7
129.07002	10.3
131.08582	25.7
133.10144	35.0
135.08064	4.1
135.11690	19.1
139.11189	2.5
143.08553	8.2
145.10127	25.1
147.11653	22.0
149.09637	6.7
149.13261	9.9
151.11121	2.4
157.10110	6.1
159.11697	25.2
161.09766	3.1
161.13257	9.7
163.11122	4.3
163.14903	2.8
163.44290	2.2
169.10049	3.5
171.11746	7.3
173.13237	7.5
175.14796	4.3
177.12801	3.1
185.13292	6.8
187.14804	5.6
197.13200	2.4
199.14876	4.0
213.16411	5.2
215.17975	6.8
231.17412	5.1
233.19055	4.8
236.15018	5.2
241.19572	6.4
257.19101	4.2
259.20596	14.4
269.17502	6.3
275.20023	7.9
291.19580	3.2
293.20700	3.0
304.65256	2.3
307.22687	61.2
308.22974	3.2
309.24359	2.6
315.23257	3.3
333.24255	13.9
335.25858	6.4
349.23587	5.0
501.35880	19.8
513.35345	3.0
583.43457	8.5
584.43433	2.9
598.42657	2.3
599.42371	9.3
827.79913	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	794.7021
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.5
57.07074	5.0
58.06598	4.4
59.04988	8.4
59.07369	1.5
60.08156	1.5
67.05501	8.0
69.07078	7.6
71.08646	1.7
71.49630	1.1
79.05504	4.1
79.05865	0.8
81.06598	1.3
81.07057	23.3
81.07532	1.2
83.08631	4.0
85.10197	1.1
87.04476	5.0
89.06045	1.8
91.05476	4.2
93.07049	10.3
95.08609	33.9
97.06519	0.9
97.10155	2.1
99.08125	0.9
105.07034	6.9
107.04954	1.1
107.08607	12.9
109.09399	1.0
109.10156	19.2
117.07008	1.6
117.09123	1.7
119.08584	7.6
121.10153	11.1
123.08025	1.2
123.11713	9.7
124.18639	0.9
131.08539	3.1
133.10130	6.3
135.08049	1.9
135.11700	8.8
137.13258	12.9
140.88185	0.8
144.10220	1.3
145.10135	3.5
147.08052	1.0
147.11647	4.2
149.09641	1.7
149.13275	6.5
151.14821	2.5
153.09116	1.6
157.10100	1.5
159.11743	4.5
161.13222	2.9
163.11192	3.2
163.14799	2.7
173.13239	3.7
175.14813	2.6
177.12801	1.8
177.16393	1.6
177.41655	0.8
181.29263	0.8
185.13220	1.4
187.11162	1.2
187.14842	3.1
189.16406	2.8
191.14310	10.4
191.17969	2.3
201.16347	1.5
203.17970	1.9
205.15793	1.0
205.19533	2.4
213.16307	1.1
215.17830	1.4
219.17416	1.1
229.15855	1.8
229.19539	1.2
236.14920	9.8
237.15225	1.9
243.17369	2.0
245.19051	1.4
257.19025	2.2
271.24176	0.8
331.26218	1.3
395.32983	11.4
411.36288	2.5
421.34549	2.3
439.35718	17.6
457.36765	100.0
458.37119	4.1
474.37796	1.6
523.45453	1.2
524.11072	0.9
603.10461	0.9
776.59753	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	792.5608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	9.1
57.03439	10.6
57.07070	4.9
58.06601	41.6
58.57167	2.2
59.07383	11.9
60.08160	9.8
64.78019	2.1
65.03956	1.9
67.05511	31.5
69.07082	11.8
69.21532	22.1
71.08637	3.7
75.04496	3.3
79.05490	24.2
81.07055	33.4
83.08610	6.4
84.08125	2.3
85.02901	3.0
87.04459	5.0
91.05486	14.8
93.07047	23.7
95.08619	19.6
98.21474	5.0
102.05534	2.5
105.07030	8.4
107.08612	12.0
109.10155	7.7
117.07017	5.9
119.08578	6.3
121.10136	9.8
123.11728	4.3
129.83548	2.3
131.08546	10.7
132.66399	2.1
133.10130	8.3
135.11699	6.9
144.10194	16.1
145.10121	7.6
147.11603	2.6
149.13313	3.8
159.11694	4.1
161.13277	4.5
162.11287	6.0
171.11714	2.5
215.17867	4.7
236.14923	100.0
259.20609	2.9
261.22244	7.4
284.21167	2.1
307.22745	24.7
310.04352	2.3
335.25827	35.8
337.27420	5.0
456.36725	6.0
474.37915	18.9
527.68250	2.4
553.39447	2.5
567.43683	5.4
595.47504	4.3
631.02667	2.6
692.51184	32.1
756.57129	9.7
774.58881	35.0
792.60333	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	792.598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.0
55.05506	2.6
57.03435	6.8
57.07076	6.6
58.06602	44.6
59.04990	4.2
59.07389	13.5
60.08168	11.3
67.05504	5.2
69.07056	2.0
70.79958	0.8
71.08628	5.0
71.49870	1.5
73.02926	1.1
75.04482	3.5
79.05502	5.8
81.07068	4.5
83.08642	2.3
84.08133	2.3
85.02888	3.0
85.10207	1.4
87.04477	5.7
90.00530	1.1
91.05482	6.3
93.07024	2.8
95.08608	4.3
102.05520	1.6
103.03909	1.1
105.07040	2.8
107.04900	1.0
107.08611	1.3
109.10165	2.5
113.43496	1.0
117.06995	1.7
119.08612	1.3
121.10168	1.1
129.07028	2.7
131.07028	1.8
131.08536	1.8
143.08559	1.6
144.10207	16.0
162.11241	7.1
218.13809	1.5
236.14935	100.0
237.15305	1.7
285.85498	1.3
313.27237	1.9
454.28015	1.4
456.36636	7.4
474.37961	19.6
475.38596	1.1
518.34796	1.9
536.35651	3.1
652.47614	1.5
678.48895	1.5
692.51068	38.3
693.50360	1.2
756.57684	15.2
774.58783	35.7
775.58069	2.6
792.59747	24.9
793.59363	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.5777
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	16.3
57.07067	11.6
59.04999	10.4
61.02917	6.0
65.03933	4.8
67.05142	5.0
67.05505	99.2
69.03419	3.8
69.07070	34.4
71.08636	3.4
71.25798	2.7
75.87254	2.5
79.05492	45.1
81.06595	5.2
81.07058	100.0
81.22860	2.4
83.04939	3.5
83.08614	15.2
84.66169	2.5
85.07719	2.4
87.04450	10.6
89.06016	7.4
91.05477	23.2
93.07043	54.2
95.08608	72.2
97.02871	4.4
97.06530	7.0
97.10180	10.7
105.07021	26.3
107.08590	26.4
109.06616	2.6
109.10155	34.9
111.08107	4.0
111.11747	3.0
117.07011	4.6
117.09109	2.9
119.08578	15.7
121.10132	25.3
123.11713	10.6
131.08565	12.6
133.10143	22.4
135.11696	19.2
137.13246	3.0
145.10091	8.5
145.12170	2.9
147.11676	11.7
149.13264	6.1
159.11653	11.2
161.13246	8.7
163.14833	7.6
165.16356	3.5
173.13263	7.9
175.14839	4.9
184.60400	2.5
187.14798	5.7
196.31889	2.8
238.39134	3.0
243.21169	3.9
246.95540	3.1
259.20517	6.3
261.22205	20.9
263.23700	4.8
265.58786	2.5
292.52097	2.6
317.24817	6.3
333.24054	3.7
335.25803	81.8
336.26349	2.8
337.27350	92.5
339.28836	4.5
346.89200	3.1
419.32904	2.6
422.20807	2.9
523.45111	2.8
597.48700	35.0
598.49060	3.2
615.49701	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	792.5619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.3
55.05515	21.9
57.03442	11.8
57.07076	3.2
61.02915	3.8
65.03941	3.9
67.05509	71.8
69.00307	0.7
69.03436	2.0
69.07069	16.1
70.62224	1.8
70.62569	2.0
71.04979	2.3
74.86133	0.8
77.03891	1.4
79.05024	1.2
79.05497	50.6
81.07060	67.5
83.05011	1.8
83.08613	7.9
85.02895	3.0
85.06567	1.9
91.05484	26.3
93.07050	49.0
95.04969	3.7
95.08614	54.5
97.06541	3.1
97.10166	3.3
99.08106	1.7
105.07039	21.2
107.08598	26.6
109.10163	23.2
111.08105	2.1
111.11763	1.1
114.02403	0.9
117.07030	7.8
117.81345	1.2
119.08598	19.0
121.10149	19.8
123.08011	1.1
123.11699	7.8
125.09598	1.2
127.19281	0.9
129.07039	2.6
130.07799	1.3
131.08562	12.6
133.10147	14.6
135.11700	15.8
137.09624	1.4
137.13263	3.0
143.08571	2.5
145.10135	12.1
147.11705	11.8
149.09708	1.2
149.13269	8.7
157.10132	2.4
159.11688	9.8
161.13251	7.9
163.14845	3.9
171.11732	2.9
173.13307	8.2
175.14832	3.2
177.16364	1.3
185.13280	2.2
187.14848	3.2
197.13248	1.0
199.14825	2.2
201.16478	2.1
215.18080	1.2
233.22607	1.1
241.19551	2.3
243.20915	4.5
259.20544	7.5
261.22113	18.7
263.23682	2.1
299.23596	1.0
315.23419	1.2
317.24753	2.7
333.24271	6.6
335.25818	100.0
336.26132	1.9
337.27319	9.5
395.58545	1.1
521.43658	2.0
595.47253	13.6
613.48340	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	790.5458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	21.5
57.03425	18.4
65.66319	8.1
67.05505	87.1
69.07063	16.4
69.54981	55.8
79.05496	61.8
81.07057	95.2
83.08636	12.4
91.05493	25.8
93.07041	65.5
95.08601	62.4
97.06494	11.2
101.19276	8.7
105.07017	30.7
107.08576	43.5
109.10159	26.1
119.08579	26.5
121.10183	50.2
123.11691	18.4
131.08565	24.0
133.10136	26.7
135.11716	40.1
145.10123	13.7
147.11693	22.4
149.13289	12.0
159.11719	13.3
173.13211	14.1
187.14764	9.2
215.17963	25.6
233.19052	17.6
236.14893	11.5
261.22083	18.7
307.22681	90.1
335.25763	100.0
567.44122	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	792.4686
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.0
59.04995	1.4
61.02927	0.9
67.05521	1.6
71.05012	0.9
71.48948	1.1
73.02923	1.2
73.06573	1.3
77.03931	1.0
79.05497	8.5
81.03420	0.8
81.07063	2.2
85.02919	0.7
87.04481	16.4
89.06041	86.3
90.06345	0.8
91.05493	7.9
91.86758	0.7
93.07062	1.3
93.10052	0.7
95.04992	2.6
95.08608	1.3
97.06554	0.9
103.05474	17.9
105.07043	100.0
107.04995	0.9
107.07123	1.5
112.27090	0.6
116.63334	0.8
117.09152	1.2
119.08591	1.0
121.06527	1.3
129.07011	3.1
130.08618	1.0
131.07031	4.7
131.08571	5.9
133.08618	46.3
135.08107	0.9
145.06476	1.2
171.08052	1.5
175.09685	3.7
177.11246	18.8
177.12709	1.2
178.07872	1.0
179.08655	0.9
181.10184	0.9
184.07378	2.1
191.08621	1.1
205.10141	1.2
206.10933	1.0
207.08086	1.1
207.11699	1.0
219.12357	1.8
220.08832	0.9
221.09697	1.5
221.13773	3.7
223.11272	5.0
234.10442	0.9
249.12788	14.6
251.14375	2.3
265.16357	1.4
267.13870	0.9
283.17603	1.1
299.49496	0.7
301.15967	2.3
311.16241	1.1
325.15945	1.2
327.17471	17.2
355.19104	0.9
371.20050	2.7
399.21771	1.5
405.22177	20.1
406.22617	1.0
415.22504	1.0
431.23853	1.5
463.26563	0.9
468.49811	1.0
475.26395	2.7
503.27783	1.6
531.29193	0.9
547.30524	2.0
549.30737	5.4
609.33606	1.0
617.82996	0.9
653.36932	25.5
653.47992	1.4
654.37012	2.1
757.43604	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	788.297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.5
57.03421	2.3
59.01528	0.9
59.86953	0.7
61.02918	2.8
65.03928	1.1
68.99786	1.5
69.03426	11.0
70.06939	3.3
71.04975	1.2
73.02919	1.9
79.05485	1.4
81.03416	8.5
85.02905	25.4
87.00372	1.2
87.00832	11.1
91.05482	8.8
91.82053	0.8
93.07050	1.0
94.04153	1.5
95.04948	2.5
97.02885	10.8
97.06520	5.7
99.04444	3.7
103.05448	1.9
105.01865	9.3
105.07027	2.2
107.04942	3.2
107.08554	1.3
109.02880	9.9
109.06498	2.0
115.03933	2.7
115.05445	1.0
117.01878	1.8
117.07027	1.2
119.04958	8.4
121.06493	2.4
122.03629	2.3
123.08073	1.0
127.03923	14.0
129.06979	5.2
131.04909	3.5
131.08517	1.2
133.06506	1.2
133.10147	1.3
135.08057	2.9
136.05269	1.0
137.05972	57.6
138.06332	1.9
145.04965	5.5
145.06473	2.0
147.04340	1.0
149.05968	7.2
151.03931	3.0
151.07547	44.2
157.06511	5.7
159.02904	3.7
161.05956	11.7
161.09644	2.1
163.03865	1.4
163.07532	16.1
165.06943	1.1
165.09138	2.0
166.07718	1.2
167.08632	5.3
169.06520	1.2
171.08043	1.1
174.06757	3.1
175.07556	8.6
177.09113	11.7
178.07813	1.7
181.06442	1.5
182.07274	0.9
187.07578	1.8
189.09097	18.5
191.14220	0.9
193.06512	1.3
193.10130	2.6
195.08058	10.2
195.10107	2.4
197.06030	1.5
201.09142	1.7
203.07071	1.8
203.08775	1.0
206.05119	0.9
207.08156	1.1
207.10130	2.8
209.07932	2.0
209.09703	2.0
210.06824	2.0
212.08263	1.4
213.09006	1.1
215.07106	1.5
219.04982	2.2
219.08224	1.2
219.10167	2.8
221.05998	4.1
221.09529	4.1
221.11514	0.9
223.07518	4.5
225.09035	4.1
227.10658	14.4
231.04945	3.0
231.10133	1.8
233.11774	4.3
235.07736	1.2
237.09149	2.7
238.06178	1.4
238.09888	1.4
239.07042	1.4
239.10751	0.9
240.07790	2.9
241.12329	1.0
245.09662	1.1
249.06212	1.0
249.09048	2.4
249.11259	4.9
250.14444	4.6
253.08638	6.4
253.12286	6.3
255.10144	14.6
261.08936	1.7
261.11377	1.9
265.08542	2.7
267.10214	3.7
269.08096	3.0
269.11685	1.5
270.08792	1.6
273.11157	1.1
279.10129	2.0
281.11685	3.6
284.10358	1.9
285.11221	10.6
287.12784	22.3
293.11707	1.9
297.11212	4.2
299.12805	7.9
305.11502	1.5
311.12869	6.4
313.14319	13.1
315.12207	1.3
323.12613	1.8
325.14301	2.8
331.15387	100.0
332.15686	3.6
335.12900	1.6
337.14273	1.4
341.13800	2.7
343.15424	30.9
349.14359	1.1
353.13696	3.1
355.15439	7.2
365.13766	1.7
367.15320	6.3
367.54468	0.9
379.15405	1.6
385.16690	1.6
397.16412	4.9
403.15390	3.6
419.13321	1.5
421.16483	10.7
439.17590	3.6
490.75534	1.0
517.28314	0.9
525.17657	4.8
543.18719	7.7
561.20020	5.0
579.20874	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.4
55.05515	0.2
63.02394	0.6
65.14853	0.2
69.03433	1.6
70.73958	0.5
71.04980	0.6
78.04716	0.3
81.03421	3.3
83.04990	1.0
85.02912	1.8
89.03920	7.3
91.05498	0.6
95.01333	0.2
95.04958	0.3
97.02902	0.8
99.04456	0.4
99.38950	0.2
103.05466	0.5
104.85342	0.2
106.04175	0.7
109.02876	1.3
111.04438	0.4
117.03385	20.1
118.03711	0.3
119.53421	0.2
123.04458	0.4
127.03933	0.7
129.05473	0.2
130.30934	0.2
131.04955	0.4
134.03616	1.4
135.04419	1.0
137.02339	1.1
137.05983	2.1
145.02850	52.5
146.03223	0.5
149.05992	6.9
151.03908	0.9
154.39206	0.2
157.06441	0.3
161.06024	0.3
162.03192	0.3
163.03915	0.7
165.01862	0.3
177.05475	100.0
178.05844	1.9
179.07056	0.4
186.05508	0.6
189.05504	1.0
191.07092	0.6
195.02869	0.2
195.06523	1.1
199.07608	0.2
207.06612	0.3
213.09006	0.2
215.10753	0.3
217.08614	0.7
219.06641	0.2
226.06219	0.3
227.06984	0.3
229.05046	0.3
241.08566	1.3
243.10190	0.8
259.06226	0.2
259.09637	0.8
269.08090	1.2
287.09088	2.7
299.05493	0.5
302.04239	0.5
303.04993	5.7
305.10175	0.3
315.05035	2.0
316.05701	0.6
321.09698	4.2
323.11133	0.4
323.73105	0.2
327.04999	0.8
339.10809	3.5
341.06653	0.3
345.06073	5.1
346.06454	0.4
353.06912	0.3
357.05804	0.2
367.08087	0.3
369.06012	1.4
395.07626	0.8
413.08658	1.7
431.09259	1.0
431.13458	1.4
449.10629	3.0
626.84485	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.4806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.4
57.03452	2.6
57.03685	0.5
57.07082	0.8
58.06614	3.2
59.04995	1.6
59.07369	0.9
60.08160	1.1
61.02930	5.2
67.05511	6.7
67.17732	0.7
69.03445	2.8
69.07069	1.5
71.04998	1.1
71.48985	0.6
71.85696	0.5
73.02922	4.8
79.05506	6.5
81.03423	1.5
81.07053	4.9
82.72050	0.5
83.08630	1.0
85.02902	5.2
87.04473	0.9
91.03958	4.0
91.05491	3.7
93.07040	5.7
95.04968	1.1
95.08624	3.5
97.02889	4.7
97.06552	0.5
99.04466	1.2
101.02421	2.1
105.07034	3.5
107.08599	3.0
109.02873	0.7
109.10177	1.7
117.07011	1.0
119.08596	1.9
121.10139	3.0
123.11749	0.8
124.66664	0.5
125.00080	0.7
127.03977	1.7
129.05518	0.7
131.08601	1.3
133.10164	1.1
144.10283	1.2
145.10150	0.7
147.11763	1.0
184.07387	2.3
185.04288	1.0
236.14944	7.0
237.15408	1.7
243.08470	2.3
317.21066	0.7
357.15311	0.7
475.38290	0.7
479.16464	0.6
491.26227	9.7
492.26373	0.7
533.79871	0.6
535.29193	2.6
563.28369	0.7
749.57666	1.2
750.59436	0.6
751.52686	0.6
767.58539	1.6
785.48041	100.0
786.48163	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	786.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.5
57.03424	1.3
60.15573	0.5
61.02911	0.8
68.99777	1.1
69.03436	6.9
70.83517	1.3
71.04997	1.0
73.02914	1.2
76.55670	0.4
79.05489	1.5
81.03421	7.5
81.07007	0.6
85.02908	17.1
87.00827	6.4
89.03876	0.5
91.05470	2.9
94.04189	3.4
97.02899	6.4
97.06528	1.1
99.04474	3.1
103.05439	1.4
105.01873	3.7
105.07024	4.2
107.04934	1.0
109.02882	6.7
109.06515	1.6
115.03961	1.4
115.05461	2.6
117.07040	0.7
119.04970	0.8
119.08575	1.1
121.06551	0.7
122.03658	5.7
127.02985	0.7
127.03928	13.1
128.04289	0.5
128.06223	0.9
129.01855	1.5
129.07013	2.7
131.04935	2.1
131.08562	0.5
132.05710	1.1
133.06491	4.2
135.04405	0.6
137.05983	100.0
138.06305	2.0
143.04913	1.6
143.06004	0.8
143.70732	0.6
144.05771	0.7
145.04976	6.0
145.06137	0.8
145.06509	0.9
146.03651	0.6
147.02963	0.6
147.04425	1.1
147.08022	2.7
149.06035	1.5
151.03935	0.9
151.07529	2.0
155.04854	1.1
157.06520	1.6
159.02885	5.0
159.08089	1.8
160.05186	2.2
161.05980	13.1
163.07510	1.9
163.94490	0.5
172.05196	1.4
174.06790	0.7
175.07553	31.5
177.05440	0.7
177.09166	0.9
179.07014	1.4
184.05159	0.8
187.07547	13.5
189.07060	0.7
189.09111	1.6
190.07777	1.9
191.07019	1.1
191.08563	8.3
199.07573	4.5
201.09166	0.5
202.07771	1.0
203.08568	2.9
205.06721	0.6
205.08490	2.8
208.08847	1.1
215.06982	0.8
217.08635	1.8
218.07291	2.0
219.08072	13.5
219.10155	0.9
220.08788	2.4
221.09663	0.6
229.08633	2.6
231.05054	3.0
231.08060	2.7
232.08800	0.8
233.05817	0.5
233.11807	1.6
235.07620	1.1
235.09564	3.2
236.08331	2.1
237.09088	1.0
241.08600	0.8
247.07588	7.4
248.08322	2.7
249.06078	0.7
250.14403	2.0
251.10690	24.5
252.11157	0.7
253.08675	0.9
253.12440	0.7
259.07407	2.7
260.08395	1.7
261.08975	1.2
263.07071	0.7
263.10727	2.9
264.07828	2.1
265.08698	1.1
270.08734	0.6
271.09659	1.2
275.10690	1.0
276.07867	1.7
277.08508	1.1
278.90717	0.5
279.10175	14.7
280.10788	1.3
281.08188	1.2
283.09732	0.5
291.10135	8.6
292.11026	1.3
293.08173	0.8
293.11526	1.1
295.09863	1.0
296.10522	1.8
297.11258	1.2
303.10153	1.9
308.10342	0.6
309.11227	2.0
311.12781	57.1
312.13071	1.7
313.14270	1.3
321.11298	2.3
323.12805	23.7
324.13306	0.8
325.14371	1.2
333.11258	1.7
335.12799	4.7
341.13913	8.1
345.11368	0.6
347.12747	1.9
353.13876	4.3
365.13937	2.0
377.13773	3.0
401.13721	3.6
419.14810	1.8
425.48514	0.6
437.16129	1.0
505.14667	1.4
523.15942	4.9
541.17224	3.2
559.18304	4.9
589.18787	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.4593
Annotation	Unknow
Peak:m/z	Relative Intensity
57.88438	1.2
70.65487	3.6
72.68708	1.5
74.09705	1.4
81.07081	2.0
84.04478	2.1
92.89835	1.3
93.07043	1.3
106.50196	1.3
188.69969	1.2
236.15054	2.2
488.61511	1.6
525.18646	1.6
601.12518	1.4
785.45905	100.0
786.46417	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	785.4807
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.8
57.03437	1.5
57.07068	1.3
58.06602	2.3
59.04996	3.0
59.47751	0.6
61.02927	5.0
67.05505	5.0
69.03430	2.8
69.07064	1.4
70.11131	1.4
70.11520	1.8
71.08636	0.7
73.02919	3.5
76.37727	0.6
79.05494	4.0
79.76001	0.6
81.03420	1.5
81.07053	5.2
83.04970	1.0
83.08607	1.0
85.02911	5.0
85.10189	0.6
87.04445	0.5
89.06043	1.0
91.03953	2.9
91.05486	3.8
93.07046	4.0
95.05013	0.8
95.08607	3.8
95.81538	0.6
97.02897	4.3
99.04510	0.8
101.02389	1.3
101.05998	0.9
105.07043	3.9
107.08625	2.7
109.02862	0.9
109.10206	1.0
111.50811	0.6
113.05995	0.6
117.07011	0.8
119.08598	2.3
121.10142	1.9
127.03940	1.0
129.06996	0.6
131.08589	1.9
132.43988	0.6
133.08643	0.8
133.10156	2.1
135.11746	0.6
142.35529	0.7
143.08560	0.7
145.10147	0.8
147.11690	1.0
149.09618	0.7
171.11800	0.7
173.13327	0.8
184.07445	1.1
185.04350	0.9
190.24522	0.7
199.43587	0.6
236.14981	2.7
237.15324	1.5
243.08478	2.3
315.10748	0.7
507.25620	7.1
519.29364	5.8
524.40448	0.7
591.31610	1.8
720.94891	0.8
784.59772	0.7
785.48029	100.0
786.47986	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	782.5927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	1.1
55.05517	2.8
57.03435	4.4
57.07068	0.9
58.06605	39.4
58.06878	1.9
59.04979	1.3
59.07388	10.4
60.08168	11.3
65.03941	0.8
67.05508	6.1
69.07025	2.1
71.05061	1.4
75.04453	2.2
79.05492	6.8
79.31575	0.6
81.07074	5.3
84.08134	1.2
85.02863	2.7
86.09676	2.7
87.04475	3.9
91.05487	6.9
93.07056	5.0
95.08608	3.9
98.20911	0.7
100.11218	1.2
102.05505	1.1
104.10718	2.8
105.05489	0.9
105.07053	3.7
107.08575	2.5
109.10129	0.9
110.08815	0.7
113.06000	1.1
117.07049	0.9
118.03204	0.7
119.08546	2.0
121.10098	0.7
124.99960	1.5
131.07002	2.0
131.08543	1.1
133.10123	1.1
144.09160	1.0
144.10205	12.7
148.05023	0.6
162.11308	5.3
176.28195	0.7
184.07376	6.8
209.49950	0.6
218.13739	0.7
236.14944	88.0
237.15355	1.7
244.89050	0.6
319.10019	0.7
450.77875	0.7
478.35443	4.5
496.36356	12.4
504.36801	4.0
520.37085	1.1
522.37927	11.4
523.38104	0.7
533.04987	0.7
737.73779	0.7
741.47528	0.8
782.59332	100.0
783.59485	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	784.5326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.5
56.05032	0.9
56.08883	0.3
57.07073	0.3
59.04996	0.7
61.35407	0.3
67.05503	1.6
69.03424	0.6
69.07063	1.3
70.06580	0.7
71.04981	0.5
71.08636	1.4
76.43291	0.4
79.05484	1.2
81.07049	1.0
83.08621	0.4
86.09709	100.0
87.10029	0.7
89.06040	0.7
91.05497	1.1
93.07054	1.5
93.09373	0.3
95.08612	0.9
98.09710	1.6
103.05476	1.3
105.07050	2.6
105.07669	0.4
106.41665	0.4
107.08607	0.8
109.10123	0.5
112.11248	7.5
117.07029	0.5
119.08586	0.6
120.08108	41.6
121.10190	0.6
129.07043	0.5
133.08574	0.4
133.10104	0.7
146.09637	2.0
147.07948	0.4
149.84076	0.3
154.15913	21.2
157.13368	11.4
165.88347	0.4
184.07315	2.5
185.12866	14.1
188.14363	7.7
191.11798	0.7
199.18074	15.4
202.07175	0.4
209.16571	0.4
219.11365	1.1
225.19609	7.3
227.17557	14.0
233.16489	17.4
235.18173	0.9
237.15956	0.5
243.15076	0.5
253.19141	7.1
259.18094	2.4
261.15991	13.9
262.16528	0.5
267.21597	0.3
267.24316	7.7
267.26920	0.6
270.21533	0.4
277.22745	0.4
280.20120	0.6
287.17520	3.0
295.23877	4.8
298.18021	0.3
298.21252	8.4
301.22733	8.3
311.21188	0.8
322.25107	0.5
329.22244	4.0
332.19675	5.8
340.26028	3.5
356.23428	0.7
366.27505	2.2
374.24393	5.2
383.30234	1.8
400.25888	3.0
408.32120	0.6
411.29663	5.7
417.28799	2.1
431.67224	0.4
442.30533	2.2
445.28049	6.0
453.34601	1.1
459.33435	1.4
479.35883	2.8
485.34836	0.5
487.32758	2.8
496.38620	1.0
497.31229	0.5
513.34253	5.3
524.38257	4.5
530.37115	3.2
555.39185	2.1
558.36560	10.9
572.41815	1.2
592.44415	1.7
598.43115	0.6
600.41315	1.6
626.42773	6.6
637.46680	2.1
643.45441	5.4
653.43872	1.1
668.47577	1.0
671.44958	16.9
672.45599	0.9
700.99768	0.4
713.49567	0.6
722.46423	1.2
739.51257	3.2
756.53973	7.1
757.53619	0.7
766.52515	2.3
784.40106	0.8
784.53314	8.1
785.54102	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	780.5259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	34.2
57.03432	17.0
57.07066	13.4
58.06597	15.6
59.04993	13.8
59.07400	4.5
60.08160	5.7
64.62421	3.4
65.03921	10.5
67.05510	85.6
69.03438	5.1
69.07076	28.1
69.79903	3.9
69.80224	20.2
71.04993	11.2
77.03931	4.5
78.64307	4.2
79.05502	82.8
80.05881	5.4
81.03436	7.6
81.07058	78.6
83.08631	14.0
85.02888	4.9
85.06544	10.4
87.04473	5.9
89.06055	4.8
91.05489	100.0
93.07052	78.5
95.04963	9.8
95.08614	53.5
97.06477	8.1
97.10215	4.5
98.21494	7.0
103.05437	4.8
105.07037	90.0
105.25019	3.7
107.04926	4.4
107.08591	42.5
109.06519	5.6
109.10157	20.2
116.53903	3.4
117.07034	27.2
119.08583	70.9
121.06523	6.7
121.10154	36.9
123.08056	9.7
123.11684	7.1
129.07002	28.3
131.08572	38.9
133.08627	4.7
133.10135	87.5
135.08008	4.7
135.11690	21.5
143.08563	21.9
144.10237	6.4
145.10146	41.8
147.11697	62.0
149.13278	8.9
151.11250	4.7
155.08600	4.1
157.10172	26.9
159.11720	25.3
161.09695	5.0
161.13258	13.5
162.11340	4.3
169.10100	9.5
171.11684	32.8
173.13268	14.1
183.11751	4.7
184.07375	8.7
185.13254	9.4
187.14928	7.8
189.16302	8.0
197.54805	3.6
203.17986	14.8
213.16374	57.9
215.17964	10.8
229.15906	7.7
231.17453	74.1
233.19131	4.5
236.14928	40.6
305.21127	25.9
307.22806	8.0
308.22949	4.2
335.25806	64.5
474.37561	7.5
491.38611	7.0
565.42358	8.4
583.43640	53.8
682.46918	4.5
762.54706	10.5
780.56793	21.5
781.46033	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	780.5257
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33812	3.5
55.05518	28.4
57.03429	14.8
57.07073	9.0
58.06607	19.7
59.04995	8.5
59.07381	7.8
60.08159	6.3
61.02926	4.7
65.03942	7.1
67.05183	5.7
67.05509	80.7
69.07081	23.5
70.03297	3.5
71.08643	5.6
71.32782	3.3
71.41048	8.5
79.05492	98.4
81.03416	3.9
81.07057	78.9
83.05011	4.9
83.08611	10.8
84.08153	4.9
85.02922	5.6
85.06575	4.4
91.05486	81.5
93.07050	100.0
95.04955	12.0
95.08611	59.1
97.06555	7.8
97.10166	4.2
99.08108	4.4
105.07036	66.0
107.08598	42.6
109.06501	5.7
109.10173	22.4
117.07023	30.1
119.08591	56.4
121.10142	48.7
122.17677	3.5
122.63274	4.0
123.11685	7.8
125.09698	3.8
129.06992	13.0
130.07732	4.0
131.08563	34.7
133.10124	40.4
135.11708	21.0
143.08559	10.3
144.10225	5.6
145.10129	27.8
147.11682	32.7
149.13243	14.7
151.11163	4.6
155.08569	5.2
157.10126	13.8
159.11714	27.8
161.13246	22.8
163.14883	4.7
169.10158	4.6
171.11761	12.3
173.13263	13.7
175.14871	6.8
181.10150	3.9
183.11656	5.4
185.13251	7.5
187.14731	5.3
199.14868	8.9
213.16408	10.7
215.17940	8.2
225.12842	3.3
231.17464	8.3
236.14935	55.1
237.04068	4.5
241.19557	14.6
259.20569	32.9
307.22717	72.1
324.59601	3.9
333.24225	31.8
335.25571	8.0
336.26273	3.9
474.37653	5.4
491.38693	5.5
524.32343	4.3
565.42151	7.3
583.43646	35.3
682.46881	13.1
720.62720	4.8
762.54803	15.0
780.56494	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	778.5469
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	19.0
57.03431	10.6
57.07073	6.7
60.78318	4.3
61.02935	6.9
67.05189	6.7
67.05511	69.7
69.07072	19.9
69.24779	34.4
69.25197	9.6
79.05499	53.4
81.07072	62.3
83.08628	7.7
85.02895	6.8
91.01458	4.3
91.05486	34.8
93.07056	66.9
95.08615	53.7
97.06532	6.5
98.20797	8.6
99.08098	6.7
105.07039	18.3
107.08609	27.0
109.10152	23.6
117.07030	7.8
119.08553	23.0
119.72693	5.7
121.10150	42.4
123.11723	13.8
131.08586	16.6
133.10139	20.6
135.11752	23.1
137.09608	4.5
145.10129	19.1
147.11694	12.4
149.13258	13.9
159.11623	10.2
163.14883	5.7
169.05067	4.7
173.13268	6.9
184.07368	8.4
184.30658	4.6
215.17982	24.0
216.86011	5.2
228.64899	5.4
233.19051	21.5
261.22232	17.5
307.22708	100.0
331.26505	6.5
334.26755	22.4
334.77084	8.4
335.25812	97.0
351.55374	4.5
490.82333	5.6
567.44116	27.4
585.45386	11.2
624.44293	4.9
651.94641	5.1
666.52014	5.4
764.87567	5.1
778.51666	4.6
789.74982	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61401	0.4
55.01870	0.9
65.03906	0.9
67.05509	0.9
69.07072	17.7
71.48823	0.6
79.05496	4.1
81.07072	0.6
83.05003	0.4
91.05485	15.8
97.06536	22.2
109.06522	0.9
111.82525	0.4
119.04955	12.0
124.05215	0.7
135.04405	0.8
136.05212	1.9
137.05984	100.0
138.06317	1.5
147.04419	1.0
149.05969	1.1
156.32539	0.4
163.03926	2.9
177.05463	0.7
215.10696	1.8
233.11739	80.9
234.12085	2.0
250.14403	45.6
251.14771	1.5
280.58316	0.4
289.24686	0.4
585.19586	0.4
676.93011	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.5089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.5
55.05520	14.5
56.05023	1.5
57.03435	7.1
57.07077	6.0
58.01023	1.4
58.06599	5.0
59.04999	5.1
60.08168	5.7
65.03933	4.3
66.99660	1.4
67.05508	41.4
69.07061	14.8
70.06591	1.5
71.04974	3.0
71.07369	5.6
71.08614	4.3
71.49447	1.9
77.03942	2.3
78.67934	1.5
79.05498	57.5
81.07056	37.9
83.04996	3.9
83.08620	7.2
85.02938	1.6
86.09706	33.9
87.04469	1.7
89.06038	5.5
91.05478	39.2
93.07047	50.9
95.04968	5.3
95.08610	34.4
97.06549	5.3
97.10207	1.9
98.98466	3.6
99.08075	1.6
102.22745	1.5
104.10741	2.7
105.04522	1.7
105.07031	25.4
107.04967	6.7
107.08600	29.8
109.06516	3.0
109.10175	14.5
111.08112	1.7
115.05412	1.9
117.07030	11.6
119.08591	23.4
121.06534	2.5
121.10147	22.2
123.08121	1.6
123.11754	3.6
125.00008	24.7
128.06161	2.0
129.07011	3.8
131.08578	31.8
133.08617	3.4
133.10141	23.9
135.08061	3.5
135.11705	19.4
137.13246	2.3
141.09061	2.6
143.08685	2.4
145.10129	21.2
146.98195	6.0
147.11728	6.4
149.09633	33.9
149.13274	3.2
157.10153	5.3
159.11710	16.0
161.09543	2.0
161.13274	2.8
163.11142	2.2
167.08971	1.8
169.10173	3.9
171.11694	1.7
173.13280	10.9
175.14784	2.2
183.11748	2.3
184.07346	100.0
185.13257	4.6
187.11249	1.8
199.09711	3.3
201.16396	32.2
203.17947	9.7
211.14842	2.6
229.15851	13.1
236.14935	6.2
247.16968	5.7
261.22000	2.0
275.20251	2.1
278.87878	1.6
300.87097	1.6
307.22653	11.7
321.20670	10.1
335.25821	31.5
349.23798	3.8
483.34622	3.4
575.30792	2.1
581.42035	53.8
582.42682	3.6
595.47089	4.4
681.03259	1.6
719.45831	4.8
778.54596	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	777.4775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	11.3
55.05514	17.0
57.03443	20.1
57.07089	2.2
59.04993	6.0
61.02933	9.7
65.03935	4.4
67.05508	62.1
69.03427	8.6
69.07072	12.1
69.14732	4.0
69.15131	13.6
71.05007	3.2
73.02911	6.1
79.05497	54.1
81.03416	9.4
81.07055	58.1
83.04983	6.0
83.08624	8.2
85.02903	8.4
85.06563	8.1
88.48045	1.5
89.06036	2.7
91.03967	6.2
91.05480	35.2
93.07047	48.2
95.04971	38.3
95.08610	28.1
97.02922	8.8
97.06535	8.5
97.10185	2.1
98.20670	2.5
99.08114	8.6
101.02425	2.0
101.05988	1.7
105.04536	2.3
105.07032	28.1
106.07309	2.0
107.04964	9.5
107.08596	21.7
109.06521	39.4
109.10172	9.6
111.04459	4.7
111.08083	3.2
113.06000	16.0
115.05488	2.9
117.07030	16.0
119.08601	15.2
119.55596	1.5
121.06493	8.3
121.10145	19.7
123.08080	4.4
123.11734	3.9
125.09660	3.4
127.03934	2.9
127.07584	4.4
128.06223	1.8
129.05492	1.7
129.06975	7.6
131.08588	20.1
133.06531	4.0
133.08633	1.9
133.10136	10.3
135.08046	26.1
135.11684	7.3
137.09628	3.3
141.06970	1.8
143.08556	7.9
145.10144	12.4
147.08044	7.9
147.11679	7.3
149.09648	5.8
149.13293	4.3
157.10167	6.2
159.08057	3.9
159.11717	6.6
161.09601	7.3
161.13257	2.2
163.11182	4.4
165.09132	3.8
169.10083	2.5
171.11679	4.8
175.11250	3.4
177.12753	2.1
183.11646	2.5
184.07397	1.9
187.14864	1.9
191.10666	1.6
193.84396	1.7
195.11806	2.7
199.11098	2.3
199.14784	2.6
215.18172	2.0
217.15935	6.0
222.20488	1.6
243.08409	2.3
245.15421	4.7
245.19057	2.1
263.16434	1.9
273.18509	23.3
279.15790	1.9
281.13739	7.4
291.19550	66.3
292.19846	2.1
307.22684	58.9
319.19250	2.0
335.25906	6.0
337.20218	3.1
347.22290	7.1
365.23166	10.7
454.25024	1.5
499.21542	4.9
519.29364	7.7
579.40564	9.6
597.41553	41.6
615.42816	5.3
666.43201	3.0
777.43860	100.0
778.44067	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	776.4732
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05007	0.6
66.41459	0.3
67.05504	0.7
69.03407	0.2
70.62107	0.6
77.03932	0.5
79.05499	5.9
87.04474	4.6
88.95142	0.2
89.06034	30.0
91.05499	2.5
93.07038	1.3
95.04990	1.4
95.08578	0.3
103.05474	5.6
105.07034	100.0
106.07385	1.3
107.04948	0.4
107.08569	0.4
109.10185	0.3
113.09431	0.2
117.09158	0.8
119.04967	0.6
119.08599	0.9
121.06518	7.3
129.06998	0.7
130.08652	0.4
131.07079	1.5
131.08559	3.9
133.08607	21.4
134.80353	0.3
145.06462	0.4
147.08075	1.9
149.09637	0.9
165.09143	1.8
166.07758	0.5
173.09615	0.4
175.09648	1.0
177.11232	7.9
191.10649	0.5
209.11716	1.0
215.40981	0.2
219.12335	0.5
221.13840	1.7
223.11191	1.1
225.12762	6.0
226.13016	0.3
227.12733	0.3
231.74054	0.3
251.14326	6.4
253.15932	1.0
255.15915	0.4
265.16617	0.4
269.15387	4.3
283.17685	0.5
295.16986	0.6
309.19061	0.3
313.17938	1.5
315.18045	0.4
327.17459	1.1
328.42172	0.2
329.18979	4.9
355.20697	0.3
357.20944	0.4
359.20743	0.9
373.21667	3.9
403.23218	0.5
419.24335	0.4
447.25906	2.4
463.26804	0.8
477.28033	1.5
490.67661	0.3
507.29529	1.0
551.23663	0.4
551.32147	7.2
552.32458	0.5
655.38690	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	11.3
55.05514	17.0
57.03443	20.1
57.07089	2.2
59.04993	6.0
61.02933	9.7
65.03935	4.4
67.05508	62.1
69.03427	8.6
69.07072	12.1
69.14732	4.0
69.15131	13.6
71.05007	3.2
73.02911	6.1
79.05497	54.1
81.03416	9.4
81.07055	58.1
83.04983	6.0
83.08624	8.2
85.02903	8.4
85.06563	8.1
88.48045	1.5
89.06036	2.7
91.03967	6.2
91.05480	35.2
93.07047	48.2
95.04971	38.3
95.08610	28.1
97.02922	8.8
97.06535	8.5
97.10185	2.1
98.20670	2.5
99.08114	8.6
101.02425	2.0
101.05988	1.7
105.04536	2.3
105.07032	28.1
106.07309	2.0
107.04964	9.5
107.08596	21.7
109.06521	39.4
109.10172	9.6
111.04459	4.7
111.08083	3.2
113.06000	16.0
115.05488	2.9
117.07030	16.0
119.08601	15.2
119.55596	1.5
121.06493	8.3
121.10145	19.7
123.08080	4.4
123.11734	3.9
125.09660	3.4
127.03934	2.9
127.07584	4.4
128.06223	1.8
129.05492	1.7
129.06975	7.6
131.08588	20.1
133.06531	4.0
133.08633	1.9
133.10136	10.3
135.08046	26.1
135.11684	7.3
137.09628	3.3
141.06970	1.8
143.08556	7.9
145.10144	12.4
147.08044	7.9
147.11679	7.3
149.09648	5.8
149.13293	4.3
157.10167	6.2
159.08057	3.9
159.11717	6.6
161.09601	7.3
161.13257	2.2
163.11182	4.4
165.09132	3.8
169.10083	2.5
171.11679	4.8
175.11250	3.4
177.12753	2.1
183.11646	2.5
184.07397	1.9
187.14864	1.9
191.10666	1.6
193.84396	1.7
195.11806	2.7
199.11098	2.3
199.14784	2.6
215.18172	2.0
217.15935	6.0
222.20488	1.6
243.08409	2.3
245.15421	4.7
245.19057	2.1
263.16434	1.9
273.18509	23.3
279.15790	1.9
281.13739	7.4
291.19550	66.3
292.19846	2.1
307.22684	58.9
319.19250	2.0
335.25906	6.0
337.20218	3.1
347.22290	7.1
365.23166	10.7
454.25024	1.5
499.21542	4.9
519.29364	7.7
579.40564	9.6
597.41553	41.6
615.42816	5.3
666.43201	3.0
777.43860	100.0
778.44067	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	776.4728
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.2
55.05494	0.2
59.04989	0.5
67.05491	0.2
69.63686	1.1
71.20231	0.2
73.02895	0.3
73.06557	0.5
77.03928	0.7
79.05497	5.7
79.25227	0.2
79.65010	0.2
81.03415	0.4
81.07045	0.5
87.04470	5.0
89.06032	28.0
91.05476	3.1
93.07053	1.2
95.04965	1.3
98.21552	0.2
103.05469	5.1
105.07032	100.0
106.07375	1.4
107.04961	0.3
107.07098	0.4
107.08584	0.2
117.06990	0.4
117.09136	0.5
119.04973	0.3
119.08578	0.8
121.06503	6.2
128.06235	0.3
129.07030	0.8
130.08623	0.3
131.07086	1.5
131.08568	4.0
133.08606	21.5
135.08064	0.3
145.06505	0.4
145.10139	0.3
147.08049	2.2
149.09634	0.9
165.07048	0.4
165.09140	1.8
166.07838	0.4
173.09628	0.5
175.09674	0.9
177.11232	9.3
179.08498	0.3
181.10138	0.4
191.10713	0.3
192.09448	0.2
195.12274	0.2
209.11665	0.6
209.13405	0.4
218.29225	0.2
221.13800	1.4
222.10425	0.3
223.11226	0.8
225.12733	5.9
227.12897	0.5
228.01953	0.2
249.12784	0.3
251.14320	6.3
253.16125	1.5
265.16507	0.6
267.13834	0.3
269.15375	4.7
269.18134	0.4
271.15488	0.4
295.16983	0.7
311.16388	0.2
313.18005	2.2
327.17310	1.3
329.18994	5.1
330.19345	0.3
357.20712	0.8
359.20667	0.5
373.21661	3.5
374.22049	0.3
403.23242	0.4
417.24246	0.3
419.24173	0.3
447.26013	2.3
463.27026	0.8
477.27930	1.7
507.29556	1.0
551.32172	6.9
552.31970	0.3
600.30383	0.2
655.38379	1.9
777.43518	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.5933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	2.7
57.03419	0.5
57.07077	32.1
58.06590	0.5
59.05001	7.8
66.97853	0.5
67.05491	1.5
69.03414	0.5
69.07068	5.4
70.25525	0.5
71.08635	29.6
71.20564	0.7
73.02905	1.1
73.06186	0.7
73.06558	10.1
79.05478	1.6
81.07052	2.2
82.07442	0.5
83.08622	5.2
85.09662	1.0
85.10184	17.6
86.47971	0.5
87.04477	11.6
89.06033	100.0
91.05474	1.2
91.07613	1.3
93.07063	1.2
95.08611	0.9
97.06550	0.7
97.10168	5.6
99.11734	2.6
101.06032	1.2
105.07033	1.3
107.07063	1.7
109.10151	0.8
111.11708	2.9
113.13291	1.9
115.07586	0.9
117.09131	9.5
119.08602	0.9
125.13283	1.5
127.14848	1.5
128.72171	0.5
130.08630	2.3
131.07043	3.9
131.08614	0.6
133.08607	50.8
135.10080	0.6
141.16394	0.7
155.17952	1.1
161.11749	2.5
175.09691	1.9
177.11220	18.1
186.06482	0.5
193.61031	0.6
211.24281	1.9
219.12379	0.8
221.13803	3.4
236.14964	1.1
237.15356	0.8
239.14890	0.7
255.26924	1.6
283.17609	0.7
299.29428	5.8
309.19165	1.5
334.08264	0.6
343.32147	2.8
454.27615	0.5
518.29199	0.6
547.33002	1.0
754.98804	0.6
756.56281	1.9
757.57172	2.3
774.59784	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	774.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00529	1.8
55.01864	2.8
55.05513	25.4
57.03445	20.4
57.07068	6.4
59.04990	6.0
61.02927	2.3
64.87028	1.7
65.03945	2.1
67.05508	71.9
67.45828	2.2
69.03429	3.9
69.07066	18.3
71.05000	5.1
71.08620	2.3
73.02924	2.6
79.05495	59.7
81.03420	94.2
81.07058	75.6
81.07534	3.9
82.56656	1.8
83.04971	9.7
83.08611	30.0
85.06528	3.2
89.06040	7.8
91.05486	46.7
93.07044	60.0
95.04966	31.9
95.08607	51.4
97.02905	4.1
97.06535	7.8
97.10198	9.0
98.20788	3.9
99.08081	3.6
103.03875	1.8
103.05402	1.9
105.07030	60.1
107.04937	9.7
107.08598	30.0
109.06516	6.2
109.10160	27.8
111.04475	1.8
111.08077	8.5
115.05486	1.8
117.06998	9.8
117.09212	1.8
119.08588	33.1
121.06507	4.4
121.10145	29.5
123.08028	4.4
123.11725	7.0
125.09618	5.9
129.07033	13.6
131.08566	21.9
133.06534	2.7
133.08601	3.1
133.10130	18.2
135.08041	2.7
135.11679	13.5
137.09583	2.6
137.13258	3.1
143.08609	3.0
145.10114	12.9
147.06883	4.0
147.07980	4.4
147.11708	18.1
149.09636	6.0
149.13339	9.2
153.12784	2.0
155.08577	2.7
157.10129	12.9
158.91682	2.2
159.11696	7.2
161.13271	7.1
163.03889	2.0
163.11194	2.3
163.14850	3.7
165.12738	3.1
169.10214	2.0
171.11723	3.5
173.13281	6.4
175.11227	10.3
175.14832	2.7
176.10718	2.3
184.07320	2.3
185.13240	2.6
187.14810	2.2
189.11157	2.9
193.12215	22.0
204.10110	3.0
205.12450	2.3
211.13318	2.5
216.48376	2.2
217.92813	1.9
227.12772	6.8
233.15422	2.3
235.13312	3.8
236.14943	3.5
243.21124	6.0
261.22186	16.7
267.15930	100.0
268.16220	3.5
273.13535	3.2
301.25330	5.1
309.16983	3.6
313.27414	3.9
317.24710	4.5
335.25809	91.5
336.25885	3.1
400.21152	3.0
435.32809	5.6
453.33621	7.3
471.34433	4.7
527.37354	63.5
528.37305	2.7
545.30475	3.7
545.38354	45.6
546.39014	2.2
569.38147	4.4
712.47900	15.3
756.49261	6.7
774.42230	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	774.399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	3.2
55.05276	0.8
55.05516	11.0
56.96948	0.6
57.03427	2.3
57.07053	1.0
59.05004	1.4
59.99098	1.7
60.67775	0.5
65.03918	0.9
67.05511	13.8
69.03435	5.8
69.07074	10.5
70.98904	1.4
71.04984	1.7
73.06557	3.2
79.05078	0.9
79.05499	14.3
81.03424	11.4
81.07064	13.2
83.04974	1.8
83.08624	5.2
85.02886	2.3
85.07659	0.6
85.12115	0.5
86.06072	1.7
86.09691	1.2
87.04461	1.3
91.05489	9.2
93.06490	0.8
93.07053	11.0
95.04989	5.5
95.08611	7.4
97.02901	5.1
97.06517	2.0
97.10177	7.2
99.04448	1.0
102.99663	0.7
103.05476	0.8
105.07043	8.9
106.06563	29.4
107.04956	3.6
107.08595	6.7
108.04539	0.7
109.02895	6.9
109.06506	1.5
109.10168	3.6
111.04455	1.4
111.08128	1.3
115.07536	0.6
115.08712	0.9
117.07024	4.0
117.57179	0.5
119.04965	0.9
119.08583	7.3
121.06509	1.4
121.10146	3.5
123.04437	0.7
123.08083	2.3
123.11741	0.5
124.99966	0.6
125.09628	4.0
127.03947	6.2
127.11120	0.6
129.07018	1.5
131.08604	5.3
132.04756	1.8
132.05679	0.7
133.06494	1.6
133.10149	2.7
134.06017	2.5
134.07300	1.1
135.08060	2.0
135.11694	1.7
137.09608	0.9
141.07091	0.6
143.08569	1.7
145.04236	0.6
145.06497	0.7
145.10153	3.0
147.08049	3.9
147.11703	2.2
149.09654	1.4
149.13197	0.9
150.59799	0.6
151.11244	0.7
153.09102	0.7
157.10141	1.4
157.13353	6.4
159.08089	0.8
159.11644	1.4
161.09581	1.3
161.13176	0.7
163.11195	1.4
165.09116	0.8
171.10289	0.8
171.11627	0.7
173.13281	0.8
175.11157	0.8
177.12888	0.6
179.10709	0.6
184.07361	2.2
186.17372	0.6
189.11259	2.8
191.11803	1.4
195.13902	0.6
199.11275	0.6
205.12106	1.3
206.39438	0.5
208.05426	1.9
217.10138	3.7
223.13304	10.0
223.15434	0.8
225.11343	0.9
249.14877	2.7
250.10069	2.4
255.17441	0.9
261.22168	1.3
273.18518	7.0
280.11105	2.2
290.65933	0.7
291.19562	100.0
292.19971	2.8
295.28824	0.6
299.14890	6.6
304.93805	0.6
309.20532	1.2
335.25818	5.6
370.74277	0.6
372.75519	0.6
399.21643	1.5
407.44778	0.6
417.22708	2.3
435.23752	6.8
453.24777	0.8
537.31671	0.9
559.36389	1.9
569.89264	0.5
577.36902	0.7
579.41052	0.6
582.54919	0.6
584.28754	0.6
609.37512	1.3
669.34644	1.0
774.40692	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	774.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	6.8
55.05515	4.1
55.41742	0.6
57.03444	4.7
59.99104	3.9
61.02929	6.9
67.01881	0.9
67.05507	3.1
68.99795	3.9
69.03434	41.1
71.01354	0.6
71.05007	5.1
71.49061	0.8
71.49421	0.7
72.08165	0.7
73.02922	7.4
73.06555	8.4
79.05501	3.5
81.03423	43.2
81.07084	3.2
83.01353	1.5
83.05000	1.3
83.08646	0.9
85.02910	81.6
86.03211	0.7
86.06083	4.2
87.00832	23.2
87.04497	0.8
90.85335	0.6
91.03951	1.5
91.05479	1.6
93.07034	0.8
95.04980	1.4
95.08617	5.6
96.53415	0.7
97.02898	35.3
97.06547	1.3
99.00804	0.8
99.04465	18.2
99.05119	0.9
101.02398	0.9
102.15730	0.6
102.99697	0.7
103.03970	2.1
104.85091	0.7
105.01874	29.9
105.06988	0.8
106.06563	64.9
107.04974	1.1
107.06881	0.8
107.08614	1.6
109.02885	63.9
109.06534	0.9
109.10159	4.0
113.09653	0.7
115.03955	1.1
115.08703	1.6
117.01875	2.4
117.06929	0.9
119.08581	2.0
121.10149	1.3
122.07271	1.5
123.04430	1.1
123.08058	0.9
127.03925	88.4
129.01865	4.4
132.04807	9.8
133.04984	1.9
133.10161	1.1
134.06015	5.5
137.05988	0.8
137.09622	9.4
137.13264	1.4
139.03970	1.4
141.09116	0.9
145.05006	28.6
147.02898	2.8
147.04391	1.5
149.09615	0.7
157.13391	11.5
159.02898	15.0
159.04147	1.3
165.09122	100.0
166.09436	0.7
166.65178	0.6
167.09863	0.7
169.04985	7.1
171.19165	0.7
175.05434	1.0
175.07561	0.8
177.03999	1.3
187.06023	30.4
189.03943	2.4
191.11826	2.8
205.07089	35.6
208.05374	5.3
213.03955	10.0
217.10063	15.2
230.83250	0.7
231.05016	26.7
247.08063	0.8
249.06064	8.8
250.10118	3.3
253.82297	0.7
276.14474	1.0
280.11157	4.8
295.08060	0.7
313.09103	1.5
321.24167	1.8
336.11060	3.4
339.07251	2.0
339.25366	12.3
357.07922	1.8
399.09283	1.9
417.10300	1.9
421.16434	1.0
427.32285	1.1
435.11148	2.5
449.54285	0.7
460.18350	0.8
473.32791	4.6
491.33368	2.3
609.25183	3.3
669.21014	2.9
774.27399	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	773.5192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	4.3
55.05514	39.3
57.03448	21.3
57.03671	4.4
57.07061	10.0
58.06586	4.9
59.05005	35.0
61.02910	16.2
65.03938	4.3
67.05509	92.6
69.03420	12.9
69.07069	36.3
71.04984	7.3
71.08627	9.1
71.49690	7.3
73.02905	10.9
75.77454	4.4
79.05074	7.1
79.05496	91.3
79.43903	3.5
81.03404	6.1
81.07059	96.8
83.04983	7.6
83.08619	14.0
85.02885	18.8
87.04442	4.2
89.06019	8.3
91.03946	4.9
91.05486	87.2
93.06493	6.3
93.07049	84.3
95.04968	15.2
95.08608	80.3
97.02878	15.2
97.06519	7.3
97.10155	9.5
99.08097	5.8
105.06398	6.0
105.07043	72.2
107.08600	45.3
109.06491	5.9
109.10171	30.8
117.07031	40.7
117.09139	6.9
119.08590	55.8
120.75530	4.4
121.06565	4.6
121.10148	38.0
123.11676	9.4
129.07014	16.8
131.08563	55.3
133.10158	40.8
135.08047	6.7
135.11702	31.6
141.06970	6.3
143.08554	17.2
145.10133	33.5
147.11691	37.6
149.13255	18.1
155.08537	10.3
157.10118	22.2
159.11693	39.8
161.13321	22.5
163.14742	4.7
165.84654	3.7
169.10121	7.2
171.11624	19.5
173.13283	17.7
175.14790	16.2
183.11685	8.1
184.07339	5.0
185.13278	17.4
187.14754	7.7
195.11729	5.6
197.13222	4.4
199.14821	7.0
201.16315	4.7
209.13261	8.7
213.16420	6.9
223.14868	4.7
236.14920	8.8
241.19481	17.9
243.20886	4.6
257.19012	8.5
259.20581	44.0
261.22406	5.8
301.21643	5.7
313.27295	4.7
333.24289	29.0
335.25809	72.5
337.27249	5.1
403.24722	4.7
593.45258	10.2
609.44910	6.2
611.37823	6.7
611.46783	100.0
701.47412	6.6
737.49884	5.4
755.55170	7.1
773.51111	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	773.2139
Annotation	Quercetin 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
55.01867	0.4
57.03439	1.3
61.02919	0.4
65.96210	0.2
66.70773	0.2
69.03424	1.0
69.03736	0.2
69.41175	0.9
69.41581	0.5
71.05000	8.4
73.02927	0.3
75.04483	0.6
79.66389	0.2
81.03420	0.7
83.04967	0.4
85.02912	12.1
87.04494	0.3
97.02895	1.1
98.21497	0.3
99.04456	0.5
105.64195	0.2
106.96230	0.2
109.02876	0.5
111.00803	0.8
111.04430	0.3
121.02864	0.6
127.03938	0.9
129.05475	2.5
131.04939	0.2
137.02348	2.0
137.06033	0.3
145.04956	0.7
147.06529	0.5
149.02377	0.4
153.01820	2.6
161.06030	0.4
163.03905	0.7
163.07462	0.2
165.01851	2.0
166.02716	0.3
173.06081	0.3
183.02878	0.6
187.03935	0.2
201.05463	0.9
229.04979	3.0
239.03467	0.2
247.06033	0.6
257.04465	2.1
274.04739	0.6
275.05484	0.3
285.04080	1.0
285.06741	0.2
303.05005	100.0
304.05356	2.7
345.06064	0.3
444.90109	0.2
449.10498	0.2
465.10330	19.9
466.10495	0.6
473.17163	0.2
516.01691	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.1926
Annotation	quercetin 3-O-alpha-(6'''-caffeoylglucosyl-beta-1,2-rhamnoside)
Peak:m/z	Relative Intensity
63.02375	0.4
63.99913	0.2
69.03436	1.4
69.96185	1.0
71.04984	0.5
79.05480	1.3
81.03424	3.4
83.04988	1.6
85.02912	1.9
89.03922	5.9
95.04953	0.5
95.33022	0.3
97.02876	0.7
98.20782	0.3
99.04452	0.3
100.11592	0.3
107.04991	2.0
107.05596	0.4
109.02889	1.3
111.04453	0.9
117.03391	8.5
118.03663	0.3
123.04414	0.8
127.03904	0.8
129.05536	0.5
135.04427	15.3
137.02350	1.6
137.05931	0.3
140.13185	0.2
145.02855	12.0
147.04446	0.4
151.03940	0.8
153.01779	0.3
157.47119	0.3
162.03104	0.2
163.03912	100.0
164.04256	1.1
165.01833	0.3
165.05496	0.4
175.03952	0.6
177.05475	0.4
181.05008	3.9
203.06984	0.4
213.05486	0.3
217.04929	0.3
227.07077	0.6
229.05070	0.4
229.08528	0.4
231.06537	0.4
245.08112	0.4
255.06485	0.6
273.07602	2.1
291.08405	0.3
299.05313	0.4
302.04306	0.4
303.05002	6.8
307.08151	4.1
309.09799	0.4
311.35001	0.3
315.05060	2.9
316.05841	0.6
325.09253	2.5
327.04904	1.0
329.06790	0.3
341.06516	0.4
345.06058	6.4
357.05862	0.3
367.08084	0.4
369.06021	1.5
395.07544	0.5
413.08691	1.9
417.11743	0.6
431.09836	1.5
435.12775	0.3
449.10867	4.6
667.12860	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4836
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01626	1.4
55.01866	7.4
55.05510	26.2
57.03440	16.4
57.07073	6.9
59.04996	3.8
61.02924	3.7
61.24587	1.4
65.03938	5.5
67.05505	74.4
69.03426	3.4
69.07068	18.2
69.16702	4.4
69.17109	12.8
71.01353	4.8
71.04993	6.9
71.07358	1.7
71.08633	4.3
73.02924	1.7
76.19381	1.5
79.05492	65.3
81.03419	28.2
81.07055	70.7
83.01348	3.1
83.04979	13.5
83.08601	11.3
85.02905	10.5
85.06548	4.9
86.09704	6.2
86.46846	1.5
87.04459	2.4
89.06029	4.7
91.03963	1.5
91.05477	38.6
91.06025	2.6
93.07040	65.3
95.04964	13.7
95.08610	47.2
96.68111	1.6
97.02897	12.0
97.06522	13.6
97.10179	5.0
98.21533	3.7
98.98459	2.1
99.04436	2.7
105.04529	3.5
105.07030	31.1
107.04961	17.7
107.08598	33.4
109.06524	7.9
109.10152	20.8
111.04431	24.9
111.08080	6.0
117.07016	16.8
119.08590	24.7
121.06517	10.0
121.10140	30.0
121.10943	3.0
123.08064	5.8
123.11710	5.6
125.00018	3.5
125.06004	7.2
125.09631	4.5
129.06987	4.2
130.07788	2.2
131.08569	17.6
133.08595	2.0
133.10135	10.0
135.08087	5.3
135.11684	27.5
137.09631	3.3
139.07542	2.7
143.08527	3.2
145.10123	27.5
147.06912	3.1
147.08067	6.5
147.11659	9.4
149.13272	3.9
153.12753	10.5
155.08557	3.5
157.10181	2.5
159.11690	6.1
161.09575	2.0
161.13281	5.5
163.11172	30.0
163.14827	2.0
165.09099	2.4
173.09662	9.4
173.13268	4.7
177.07883	3.0
177.12762	2.4
181.12274	5.1
184.07355	23.4
187.14789	2.2
191.10695	7.8
209.11678	12.9
223.13278	18.6
227.12727	11.4
241.14328	29.0
243.21057	2.7
259.20544	2.0
261.22217	11.9
265.14270	8.7
267.16223	1.6
283.15323	20.6
297.17017	3.2
299.23599	2.9
315.18036	47.7
317.24890	4.4
335.25793	100.0
336.26169	5.8
370.23767	2.1
398.23132	3.2
411.17923	2.8
451.32266	4.5
525.36053	8.0
543.36853	60.5
544.36969	3.3
561.38269	1.8
575.39459	88.1
576.39417	3.6
728.51056	13.1
754.52625	2.0
772.53754	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	772.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76038	3.7
55.01871	20.9
55.05515	45.0
57.03447	23.9
59.04991	10.3
61.02910	6.5
67.05183	5.4
67.05507	67.7
69.03427	15.9
69.07068	42.1
70.11213	14.5
71.04990	7.5
73.02904	4.7
74.69804	3.6
79.05500	78.4
81.03425	40.1
81.07057	78.4
83.01353	8.4
83.04980	24.6
83.05392	3.9
83.08620	29.1
85.02900	13.2
85.06569	4.0
85.79739	3.3
91.05485	64.7
93.06497	5.2
93.07051	72.4
95.04963	20.7
95.08617	35.2
97.02885	11.5
97.06540	17.6
97.10168	16.3
99.04466	5.9
105.07035	57.2
107.04948	26.5
107.08588	52.3
109.06511	16.5
109.10172	12.7
110.05904	4.1
111.04485	4.6
111.08072	6.8
117.07019	30.3
119.08592	37.3
121.06508	11.5
121.10159	35.0
123.08087	14.9
125.09649	13.7
127.03869	4.2
129.06987	10.4
130.07797	4.0
131.08563	27.2
133.10153	26.1
135.08028	6.5
135.11714	24.2
137.09654	4.1
143.08594	6.4
145.04935	4.3
145.10126	42.8
147.08018	8.6
147.11731	7.5
149.09604	12.5
149.13260	10.1
153.12772	4.1
155.08598	5.3
157.10097	6.8
159.11688	13.5
163.11165	42.7
169.10123	4.2
171.11711	4.8
173.09683	5.2
173.13240	5.7
175.11331	6.9
181.12154	3.9
184.07343	5.5
185.13260	3.8
189.11201	11.5
191.10695	6.5
193.12234	4.9
195.13747	4.5
209.11755	12.3
211.13298	8.8
227.12848	33.3
239.18045	4.6
255.15840	10.1
257.19025	12.1
267.15845	6.0
269.17484	14.5
273.18564	5.2
275.20084	38.7
283.15402	100.0
285.17023	5.1
291.19489	17.9
293.21088	6.7
349.23737	37.3
365.23141	6.7
453.24969	11.6
461.28812	4.9
463.26746	21.6
477.28528	69.8
539.33862	4.1
557.34784	57.2
575.35889	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	14.9
55.05517	39.8
57.03439	19.5
57.07075	5.6
59.05017	3.9
59.14736	3.0
61.02928	6.5
63.39379	2.7
65.03933	4.8
67.05508	71.5
69.03433	9.6
69.07079	29.0
69.48648	2.8
71.04984	7.4
71.49232	3.0
73.02951	4.5
79.05499	70.2
81.03421	29.4
81.07068	71.6
81.16218	3.0
83.01360	8.1
83.04984	27.9
83.08627	24.9
85.02898	14.9
87.04502	3.4
91.05488	49.9
93.07056	67.5
95.04956	19.2
95.08608	34.2
97.02901	13.0
97.06535	21.4
97.10184	19.3
99.04443	4.3
105.07035	49.4
107.04960	19.4
107.08597	44.3
109.02867	4.1
109.06528	12.3
109.10172	10.8
111.04452	4.7
111.08098	7.6
112.96509	3.1
115.05518	3.0
117.07000	23.9
119.08583	31.2
121.06541	9.7
121.10123	22.3
123.08121	15.4
125.09669	14.8
127.03954	5.9
129.07007	8.8
131.08557	15.5
133.10144	22.5
135.08084	10.5
135.11679	18.3
143.08577	5.6
145.10130	38.7
147.08049	7.2
147.11722	10.8
149.09618	14.6
149.13280	8.9
151.11182	3.2
153.12741	4.4
153.30014	2.8
155.08615	8.9
157.10156	6.4
159.11737	11.9
161.13269	4.6
163.11177	33.8
169.10199	3.6
171.11702	5.4
173.04552	3.7
173.09583	7.1
173.13300	7.1
175.11287	3.9
181.12233	4.7
183.11743	3.4
187.11243	4.3
189.11206	5.5
191.10663	4.6
195.13881	4.5
209.11801	10.5
211.13289	7.2
227.12802	32.5
255.15961	9.6
257.19144	9.9
267.15967	8.6
269.17648	15.5
275.20111	38.7
283.15417	100.0
285.16949	7.5
291.19608	13.9
293.21072	3.3
348.26059	3.0
349.23813	33.1
351.34717	2.8
365.08240	3.3
365.23239	8.7
453.24756	6.3
461.28677	3.3
463.26892	13.0
477.23355	2.6
477.28552	70.9
494.81512	3.0
539.33685	3.7
557.34741	45.2
575.35498	16.0
772.42120	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	771.5015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.5
55.45018	0.8
56.61840	0.8
56.86777	0.8
57.03436	3.4
57.07072	2.1
57.25021	0.8
59.04996	5.6
61.02928	7.0
65.03946	1.0
67.05505	6.8
69.03420	3.7
69.07065	3.2
71.04998	0.9
71.08618	2.6
73.02909	3.6
79.05498	3.4
81.03434	1.9
81.07064	7.6
83.08614	1.4
85.02899	4.4
85.07660	1.0
89.06031	3.5
91.03957	3.7
91.05492	2.5
93.06551	0.7
93.07034	4.8
95.08603	4.9
95.90222	0.9
97.02876	4.9
97.78033	0.7
101.02396	2.5
101.61370	0.9
105.07056	2.1
107.08610	2.7
109.10166	1.7
110.62234	0.9
117.90881	0.8
119.08589	1.5
121.10148	1.1
123.11741	1.4
127.03894	1.4
127.51306	1.0
131.08557	1.0
133.10165	1.2
157.13443	0.9
243.08333	2.2
313.27179	0.9
347.25684	1.7
493.27679	8.2
519.29352	3.9
623.82910	1.1
771.50177	100.0
772.50439	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	771.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.4
55.05526	0.3
63.02382	0.6
65.56264	0.3
69.03439	1.8
69.50433	0.8
69.50861	1.3
71.05012	0.7
76.26840	0.3
78.04733	0.3
79.05476	0.3
81.03419	3.4
81.07051	0.4
82.88146	0.3
83.04977	0.8
85.02918	2.0
89.03922	8.0
91.05492	0.8
93.97285	0.2
94.66184	0.3
97.02892	0.8
99.04460	0.4
103.05431	0.3
106.04208	0.3
109.02865	1.4
111.04472	0.6
117.03387	20.8
121.02874	1.5
122.03689	0.4
122.09642	1.3
127.03931	0.8
129.05455	0.3
131.04958	0.4
134.03578	1.6
135.04428	1.0
136.07523	0.4
137.06009	2.6
145.02852	51.8
146.03198	0.8
147.04433	0.3
149.05984	8.4
151.03912	1.0
163.03937	0.7
164.07057	0.3
169.04926	0.3
169.13481	0.3
177.05476	100.0
178.05815	2.0
179.06950	0.3
181.06555	0.4
186.05539	0.8
189.05484	1.1
189.09128	0.3
191.06990	0.7
195.06532	1.1
205.04951	0.4
207.06555	0.3
213.09010	0.5
217.08588	0.6
226.06218	0.4
227.06969	0.4
229.08679	0.3
231.06577	0.5
241.08592	1.2
243.10182	0.6
245.07945	0.3
259.09711	0.4
269.08026	1.0
283.06006	0.4
286.04568	0.4
287.05472	5.3
287.09155	2.4
299.05499	2.7
300.06140	0.7
311.05432	0.7
321.09689	3.9
323.11328	0.5
325.07129	0.7
329.06598	5.6
329.10397	0.6
339.10794	3.9
351.08652	0.3
353.06494	1.8
379.08047	1.0
397.09158	2.3
415.10446	1.3
431.13116	1.5
433.11340	2.8
451.16711	0.5
468.17178	0.5
469.17816	0.6
764.80688	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.5772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	14.3
57.03443	12.4
57.07079	37.1
57.42852	1.9
59.04993	7.5
61.02921	7.6
65.03915	2.0
67.05506	50.2
69.07067	16.8
70.67955	5.1
71.08638	22.0
73.02906	3.4
75.98745	1.6
78.44226	1.8
79.05501	26.0
81.03453	2.1
81.07062	51.6
83.08632	11.6
85.02914	6.9
85.10162	11.8
86.38791	1.9
87.04471	2.5
89.06017	5.1
91.05500	11.5
93.07051	35.7
95.04990	2.8
95.08607	50.5
97.02891	6.0
97.06546	3.8
97.10165	6.8
99.08118	2.1
102.87456	1.7
103.07595	3.1
103.63170	1.9
105.07034	9.1
107.08599	19.0
109.10164	21.2
117.07014	4.2
119.08591	8.8
121.10135	19.8
123.05270	2.1
123.11681	7.7
131.08589	9.6
133.10141	5.6
135.11664	11.6
137.13251	3.9
145.10138	6.0
147.11700	7.5
147.15710	2.0
149.13268	7.3
159.11711	5.3
161.13249	2.7
163.14857	4.4
173.13263	3.0
175.14928	2.1
175.78070	1.9
187.14856	3.3
205.69547	1.8
239.23688	3.9
243.21078	9.6
261.22162	28.4
313.27383	100.0
314.27863	3.8
317.24615	4.5
335.25803	70.5
336.26147	2.3
478.06259	2.1
484.55783	2.4
491.26212	3.7
519.29382	2.4
573.48724	33.4
591.50275	4.4
718.22162	2.9
770.48865	49.9
771.49493	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	768.5983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.0
55.05508	2.1
57.03443	5.1
57.07077	5.1
58.06604	37.5
59.04988	3.0
59.07387	8.7
60.08169	11.4
62.57310	0.8
67.05509	5.5
69.07066	2.8
69.37567	6.2
71.08645	4.9
75.04477	2.1
78.60274	0.7
79.05486	2.7
81.07064	3.7
83.08616	1.5
84.08144	2.1
85.02896	2.4
85.10168	2.3
87.04462	3.4
91.05453	1.2
93.07024	1.3
95.08605	5.4
102.05547	1.1
107.08607	1.4
109.10155	2.1
111.22130	0.8
113.06007	1.2
119.08569	0.9
123.11723	1.1
123.74647	0.8
131.07028	1.2
131.08571	0.7
144.10213	17.5
149.56447	0.8
162.11287	5.1
167.29327	0.9
218.13858	1.7
236.14948	100.0
237.15289	3.3
238.15491	1.5
240.34615	0.8
275.20190	0.9
313.27493	1.4
412.37436	1.1
456.36868	6.7
474.37924	18.4
494.34888	2.2
512.35669	4.5
628.47845	6.9
722.60291	0.9
732.58002	3.9
733.23944	0.9
750.58783	76.9
751.59399	5.9
768.59839	17.3
769.47461	1.4
769.60339	1.3
771.59497	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4854
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	0.5
55.05513	1.9
56.93398	0.4
57.03435	2.4
57.07079	0.5
58.06598	2.4
59.07382	0.6
60.08164	0.6
61.02929	7.5
67.05506	6.1
68.32063	0.4
68.64402	0.4
69.03430	3.3
69.07060	1.5
71.04974	0.5
71.49648	0.7
73.02917	4.9
79.05499	4.9
81.03416	1.7
81.07061	5.0
83.08657	0.7
85.02911	5.8
85.07668	0.5
87.04460	1.1
89.06064	0.5
91.03968	4.1
91.05473	2.7
93.07044	5.6
95.04975	0.4
95.08595	4.1
97.02888	5.5
97.10180	0.4
99.04502	1.0
101.02364	2.4
103.03929	0.4
105.07037	1.6
107.08585	1.9
109.02884	1.0
109.10173	1.6
115.03943	0.5
117.07065	0.6
119.08617	1.2
121.10138	2.7
127.03927	1.5
131.08560	0.9
133.10129	1.0
135.11708	1.6
145.10135	0.9
149.13281	0.7
185.04237	0.5
236.14922	4.1
237.15419	1.1
243.08459	1.7
260.76160	0.4
307.22549	0.4
370.86407	0.5
396.47400	0.4
474.37634	0.6
475.38318	0.5
480.26932	0.4
491.26190	11.3
519.29407	3.9
550.15070	0.5
669.51501	0.8
751.58264	1.8
769.48547	100.0
770.48773	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	770.4408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.4
55.05517	18.7
57.03440	5.0
57.07088	6.9
58.06599	9.6
59.05005	7.1
59.07380	3.1
59.99107	6.7
60.08157	2.7
65.03936	3.9
67.05508	49.4
69.03436	15.5
69.07070	12.7
69.94141	5.6
71.04995	4.0
71.08621	4.0
72.08174	2.3
73.02907	2.6
73.06565	12.2
77.03922	1.8
79.05501	49.6
81.03428	29.8
81.03916	1.2
81.07065	40.4
83.04999	5.8
83.08632	4.9
85.02905	14.0
85.06539	3.5
85.07658	1.8
85.10183	3.0
86.06084	7.6
87.04472	2.6
89.06027	1.9
91.05489	88.3
93.07052	40.6
93.07641	2.5
95.04985	8.9
95.08612	32.3
95.26460	1.1
96.16595	1.4
97.02912	11.5
97.06533	6.5
97.10207	2.8
99.04469	4.2
101.06033	1.1
102.00139	1.1
103.05460	1.4
105.04516	2.6
105.06315	1.8
105.07041	54.2
106.06562	100.0
107.04956	3.3
107.08601	22.0
109.02888	9.6
109.06511	2.5
109.10178	12.0
111.04443	4.3
111.08109	1.7
115.05472	4.8
115.08762	2.7
117.07021	28.8
117.09119	1.8
117.37549	1.5
119.08591	42.8
120.65681	1.3
121.06540	3.0
121.10157	17.2
123.04483	1.5
123.08080	5.0
123.11734	5.3
125.09639	3.4
127.03912	4.6
128.06224	3.4
129.05524	2.1
129.07022	18.7
131.07104	1.6
131.08585	27.6
132.04820	11.8
133.06517	2.8
133.10141	29.8
133.11110	2.2
134.06021	8.4
135.08080	5.6
135.11720	8.7
137.09633	2.5
137.13271	2.3
141.07008	4.1
142.07799	2.1
143.08566	14.1
144.10257	2.8
145.04324	4.2
145.10136	17.1
147.08083	4.1
147.11697	11.9
149.09642	4.7
149.13229	5.8
151.11147	1.5
151.14838	2.1
155.08615	5.1
157.10147	12.0
157.13402	11.6
159.08104	1.8
159.11714	7.2
161.09653	3.5
161.13255	8.8
163.11229	4.0
163.14861	3.7
169.10168	5.0
171.11710	12.7
173.13274	7.4
175.05400	3.1
175.11203	4.5
175.13463	1.6
175.14769	6.7
177.12907	1.4
177.16370	2.0
181.10130	2.9
183.11710	4.1
184.07341	2.9
185.09651	1.3
185.13266	9.0
187.11169	2.3
187.14828	4.9
189.12796	2.0
189.16429	7.4
191.11809	4.6
191.17984	2.6
193.12245	1.5
195.11830	2.4
197.13322	2.8
199.11145	2.3
199.14876	5.3
201.09160	1.6
201.12752	1.6
201.16388	7.6
201.62218	1.2
203.14371	2.6
203.17981	28.6
207.13846	1.4
208.05408	7.6
211.14912	2.2
213.16376	2.6
215.14346	1.3
215.17981	4.2
217.10077	19.4
217.12138	1.9
217.15775	2.0
217.19586	1.6
219.17572	1.8
221.15497	2.0
227.18040	3.9
229.15921	1.8
233.15445	1.8
236.14949	22.7
245.22614	2.5
250.10168	4.1
259.20493	1.4
259.24194	1.7
267.21060	4.0
269.22617	12.2
279.12299	1.5
280.11240	5.5
281.22525	1.7
285.22235	4.4
287.23654	10.1
299.23615	2.5
301.25327	1.4
303.23245	1.7
305.24850	3.8
311.23547	2.2
323.23538	1.7
329.24948	2.3
345.24469	1.5
352.41946	1.3
377.24930	2.6
377.40524	1.2
395.25906	3.7
413.26678	6.7
431.27979	11.1
449.28842	8.0
496.36548	2.1
508.27609	1.4
510.34628	2.9
579.88788	1.4
582.08026	1.3
583.43121	1.2
597.74432	1.5
648.00684	1.2
658.47290	1.9
665.37921	4.7
770.43658	4.4
770.55396	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	768.5979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.2
55.05510	1.8
57.03442	5.3
57.07079	7.3
57.35931	1.0
58.06602	38.2
59.04997	2.0
59.07381	11.8
60.07887	1.1
60.08165	11.9
63.99343	0.7
64.30376	0.8
67.05505	5.5
69.07059	3.4
71.08638	5.3
71.49570	0.8
73.02926	1.3
75.04471	2.9
79.05483	2.9
81.07064	5.6
83.08636	0.8
84.08160	1.6
85.02894	2.6
85.10179	2.3
86.09704	1.0
87.04453	4.0
89.06013	1.3
91.05469	2.1
93.07040	2.5
95.04973	0.9
95.08609	4.5
97.10160	1.3
100.11219	0.9
105.07044	1.8
107.08595	1.5
109.10140	2.0
113.06017	1.1
114.12094	0.8
117.09092	1.2
124.94970	0.7
125.00002	1.3
131.07053	1.7
131.10663	0.8
133.10136	0.8
144.10201	16.5
145.10165	0.8
150.24762	0.9
162.11226	6.3
168.89975	1.0
184.07329	3.2
200.12906	1.3
218.13983	1.4
236.14940	100.0
237.15324	3.9
238.15355	0.8
275.20035	1.0
313.27405	3.2
314.27664	1.1
355.22995	0.9
412.37939	1.3
456.36853	6.3
474.37982	15.1
494.34354	2.3
507.40491	1.1
512.35565	4.3
588.46735	2.2
603.06268	1.0
628.47485	2.4
639.76355	0.8
668.51312	1.3
722.59003	1.2
732.57123	3.4
750.58691	75.2
751.58423	5.0
768.59961	15.2
769.58673	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.5983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.6
55.05516	1.4
57.03446	4.4
57.07084	3.9
58.06604	33.0
58.07018	0.9
59.04965	0.9
59.07385	9.6
60.08168	9.6
63.46702	0.3
67.05510	4.1
69.07077	1.6
69.36356	2.0
69.36760	0.4
71.08633	3.4
73.02884	0.4
75.04496	2.8
79.05494	2.0
81.07056	3.3
83.04938	0.4
83.08578	1.0
84.08155	1.5
85.02908	2.5
85.10145	1.3
86.09695	0.4
87.04463	3.4
91.05492	2.1
91.07687	0.3
93.05486	0.4
93.07046	2.0
95.08622	3.3
97.06484	0.6
97.10132	0.8
99.08095	0.4
100.11208	0.6
100.98540	0.3
101.06007	0.4
102.05518	1.0
103.03937	0.8
105.05482	0.5
105.06982	1.2
107.08544	0.9
109.06528	0.3
109.10156	1.5
110.10452	0.3
113.06012	1.4
113.93749	0.3
117.07008	0.5
119.08566	0.9
121.10128	0.6
123.11692	0.3
130.08618	0.7
131.07054	2.0
131.08540	0.5
133.10149	0.7
135.11723	0.3
138.16414	0.3
144.10207	15.3
147.11655	0.4
159.06598	0.4
162.11256	5.5
178.71950	0.3
200.12802	0.6
200.56827	0.3
218.13908	1.3
236.14940	100.0
237.15338	2.2
246.73804	0.4
300.51474	0.3
312.32483	0.5
313.27420	1.2
369.30106	0.4
412.27026	0.8
412.38037	0.9
430.28201	1.2
456.36929	6.5
474.37936	15.9
475.38165	0.6
476.33899	0.5
494.34708	2.2
512.35669	2.7
530.36426	0.4
628.47565	2.7
654.49536	1.3
668.50983	24.4
669.51862	1.4
684.51270	0.4
732.57727	10.7
733.58557	0.4
750.58789	35.4
751.58740	1.8
768.59869	24.6
769.59216	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.5622
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05267	3.3
55.05513	36.1
57.03436	19.1
57.07076	16.6
57.27517	1.9
57.29205	2.0
58.06593	7.4
59.04982	3.8
59.07390	2.2
60.08160	2.4
61.02916	6.1
65.03940	5.1
67.05504	92.5
69.03394	2.7
69.07069	51.0
69.21887	21.8
71.08615	6.5
79.05495	48.3
81.07059	100.0
83.04984	3.3
83.08617	24.7
85.02868	3.9
85.06545	3.9
85.10181	5.0
89.06011	3.9
91.03963	2.0
91.05486	23.6
93.06497	2.9
93.07048	50.0
93.36592	1.8
95.04965	2.8
95.08612	73.6
97.02884	4.2
97.06532	7.9
97.10176	13.4
99.08086	4.6
105.07034	20.0
107.08594	26.3
109.10167	28.7
111.08091	3.0
111.11723	3.9
116.10728	1.9
117.07003	2.4
119.08606	16.2
121.10145	30.8
123.11710	11.5
131.08598	9.9
133.10155	13.8
135.11696	18.8
137.09579	1.9
137.13255	8.9
144.10133	2.2
145.10138	6.2
147.11696	8.8
149.13200	11.2
159.11737	4.9
161.13245	6.3
163.14842	4.9
173.13272	7.8
175.14798	2.4
177.16446	2.4
195.00365	10.4
215.17862	2.4
235.20462	3.2
236.14877	16.7
237.22125	3.7
243.21017	7.2
251.04970	2.5
261.22165	23.6
263.23724	2.8
290.23618	2.6
295.00970	2.3
309.24261	32.8
311.25827	82.5
317.24698	6.5
335.25812	76.4
337.27380	40.5
338.27350	2.3
338.73743	2.2
339.28900	3.1
380.58978	2.0
497.43732	4.7
502.32755	2.0
571.38416	2.7
571.47266	53.5
589.48444	19.1
656.49988	2.9
750.58319	5.7
768.48059	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	766.5826
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90760	0.8
55.01826	0.9
55.05469	3.0
57.03440	6.2
57.07071	5.6
58.06601	37.7
58.67306	0.8
59.05001	13.5
59.07381	9.8
60.08162	10.3
65.37354	0.7
67.05503	5.5
69.03387	1.4
69.07031	2.4
69.50690	0.7
71.08633	4.4
71.49555	1.0
73.02889	1.6
73.36723	0.7
75.04471	3.8
79.05483	4.0
81.03374	1.6
81.07056	4.5
83.04945	1.0
83.08582	2.0
84.08105	1.9
85.02881	2.1
85.10148	1.7
87.04451	4.6
89.05991	2.0
91.05420	2.0
93.06994	2.3
95.04935	1.4
95.08604	4.0
97.06510	1.5
97.10133	2.1
97.59924	0.7
99.08025	0.9
100.11207	1.1
102.05512	1.0
102.09137	0.7
103.03910	0.9
103.07521	0.9
105.05463	0.8
105.06991	3.0
107.04891	1.0
107.08551	2.4
107.09201	0.7
109.06442	0.7
109.10106	2.1
113.05990	1.3
117.06950	1.1
117.09113	3.3
118.10207	0.7
119.08601	1.2
121.10154	0.9
130.08630	1.0
131.07002	2.1
131.08524	1.1
133.08609	1.0
133.10132	1.1
135.11690	0.8
144.10196	16.2
145.10115	1.0
161.11746	1.0
162.11243	5.2
175.13213	1.0
194.52353	0.6
200.12817	0.9
210.57570	0.6
218.13995	0.9
236.14928	100.0
237.15297	2.7
273.18414	0.8
313.27362	2.3
314.27762	1.4
412.37704	1.3
429.29782	0.9
456.36737	6.7
474.37946	13.6
475.38419	1.1
492.33267	2.4
510.34064	5.2
586.43982	0.8
626.46344	1.7
661.27869	0.9
730.55829	1.0
748.57172	74.9
749.57361	3.9
766.58252	22.8
767.58490	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.5826
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88576	0.4
55.01856	0.9
55.05469	1.7
56.05018	0.4
57.03443	5.7
57.07078	5.1
58.06602	40.2
59.07384	10.7
60.08164	9.8
63.47570	0.3
67.05505	4.5
69.07067	2.7
69.50001	2.0
69.50412	0.7
71.08638	3.6
73.02894	0.5
75.04479	2.9
79.05500	3.8
81.07059	4.3
83.04957	0.6
83.08627	1.9
84.08166	2.0
85.02908	3.2
85.10189	2.1
86.09644	0.5
87.04476	4.6
89.05988	0.7
91.05486	2.3
92.71320	0.4
93.07043	2.6
95.04954	0.4
95.08614	3.5
97.06494	1.1
97.10136	0.9
100.11237	1.1
102.05499	1.5
103.03902	0.8
105.05451	0.5
105.07016	2.0
107.04929	1.1
107.08566	1.3
109.10162	1.9
109.15498	0.4
113.05963	1.5
117.07007	0.8
117.07780	0.4
119.08564	1.1
121.06391	0.4
121.10124	0.5
123.11715	0.4
130.08641	0.5
131.07010	1.5
131.08521	0.9
133.10103	1.1
144.10205	15.7
149.09566	0.5
159.11693	0.5
162.11252	7.6
200.12776	0.8
218.13902	1.8
236.14929	100.0
237.15256	1.6
239.23683	0.5
272.14798	0.5
275.20111	0.4
290.16000	1.3
304.17392	0.4
313.27280	1.2
341.30487	0.9
342.30704	0.4
349.32584	0.4
412.26566	0.5
412.37784	1.1
456.36804	6.0
474.37912	18.5
475.38242	0.9
492.33249	2.3
510.34375	5.8
515.95825	0.4
528.38062	0.4
563.95520	0.4
628.48077	1.8
628.87415	0.4
668.50836	1.5
720.57538	1.3
730.56226	3.2
748.57208	72.2
749.57526	5.6
766.58325	16.5
767.58563	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.5826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	0.8
55.05476	1.5
57.03439	5.7
57.07080	4.9
58.06602	39.6
59.07386	11.8
60.08167	9.7
67.05499	3.7
69.07073	2.1
69.41328	0.8
69.41732	2.8
71.08634	3.5
72.60208	0.4
73.02887	0.9
75.04476	3.3
77.93220	0.4
79.05505	2.1
81.06673	0.4
81.07058	3.8
83.04976	0.4
83.08602	1.2
84.08113	1.3
85.02896	2.8
85.10143	1.7
86.09675	0.7
87.04456	3.9
89.06033	0.6
91.05432	1.8
93.07018	1.6
93.07565	0.4
95.08608	3.5
96.50703	0.4
97.06520	0.6
98.21497	0.5
99.65155	0.4
100.11230	0.6
101.05979	0.4
102.05513	1.2
105.05489	0.8
105.06998	1.1
105.95390	0.3
107.08562	0.9
109.10117	0.9
113.05960	1.2
116.10669	0.6
117.06990	1.0
117.09094	0.4
119.08604	0.9
123.11686	0.4
129.06984	0.6
130.08611	1.2
131.06996	1.3
131.08536	1.2
133.10129	0.6
135.11674	0.5
144.10204	16.4
150.42390	0.4
162.11258	6.1
175.05283	0.5
200.12769	0.7
218.13925	1.8
236.14935	100.0
237.15248	2.4
290.15982	0.4
313.27487	0.9
321.64697	0.4
350.32990	0.4
354.82303	0.5
364.43686	0.4
369.29886	0.4
412.26907	1.0
412.37604	0.8
430.28232	2.0
456.36847	6.1
457.37289	0.5
470.31747	0.5
474.32990	0.6
474.37961	16.0
475.38324	0.7
492.33365	1.5
510.34009	2.3
628.48175	0.9
654.49255	2.7
668.50928	23.2
669.51172	1.1
684.50970	0.7
708.54059	4.9
730.56152	11.3
731.57050	0.8
748.57196	29.6
749.57214	2.2
766.58295	27.6
767.58533	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.5467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.0
55.05276	2.2
55.05517	27.4
57.03440	20.2
57.07076	11.6
58.06602	12.5
58.15459	1.2
59.05000	5.2
59.07387	3.4
60.08155	2.6
61.02917	4.8
65.03935	4.9
66.81903	1.4
67.05508	96.5
69.03413	2.0
69.07073	34.5
70.98633	3.0
71.04993	3.9
71.08637	3.5
73.02917	1.5
79.05025	1.7
79.05495	47.6
81.07059	100.0
83.04965	2.8
83.08217	1.4
83.08624	15.5
85.02900	4.1
85.06528	4.2
85.10162	2.1
87.04424	1.5
89.06031	3.1
91.05490	34.8
93.07051	52.1
95.04958	4.3
95.08613	70.3
97.02886	2.8
97.06528	6.1
97.10174	7.1
99.08119	6.1
105.07037	18.6
107.08601	28.1
109.06531	2.5
109.10158	28.8
109.10835	1.0
111.08078	2.5
111.11723	1.9
113.09572	1.6
117.07036	7.0
119.08584	20.6
121.10147	25.4
123.08023	2.4
123.11721	15.3
125.09640	3.5
129.06937	1.9
129.93047	1.3
131.08592	11.1
133.10138	19.1
135.11702	24.0
137.13248	5.2
143.08623	2.9
144.10176	3.7
145.10147	9.3
147.11667	10.8
149.13268	12.0
151.11191	1.7
151.14772	1.7
153.12766	1.7
157.10092	1.6
159.11667	7.0
161.13301	8.5
163.14815	3.5
171.11685	2.2
173.13365	6.0
175.14798	5.4
177.16418	1.4
187.14807	3.2
189.12714	1.5
189.16405	1.8
190.31607	1.5
199.14848	1.7
203.17870	1.6
205.19701	1.5
215.17978	5.1
217.19572	7.6
219.17513	2.0
233.19044	3.9
235.20554	6.3
236.14926	27.9
243.21111	4.9
259.20651	4.2
261.22116	12.7
273.22052	1.7
307.22589	4.2
309.24249	79.3
311.25824	4.5
317.24811	3.8
333.24210	2.2
335.25818	83.4
336.26282	2.1
337.27377	7.3
376.82468	1.5
456.36945	2.1
474.37952	4.4
495.42120	3.7
517.39105	1.6
569.45587	23.6
574.26416	1.4
583.78949	1.7
587.46820	14.8
654.47827	5.4
668.50610	3.5
695.31165	1.5
748.57416	8.0
766.46387	3.4
766.57819	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.5308
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88493	0.7
55.05521	1.6
57.07080	21.5
59.04996	1.6
67.05526	1.2
67.14333	0.7
69.03405	0.6
69.07066	2.8
69.69897	0.7
70.65520	0.6
70.74066	1.7
70.74393	0.7
71.08637	41.8
73.02918	1.4
73.06548	3.4
77.03947	1.0
79.05502	1.2
81.07057	1.9
85.10193	21.8
87.03944	1.0
87.04474	27.1
89.06038	100.0
90.04692	0.9
91.05486	13.0
91.07586	0.8
93.07053	6.5
95.04948	1.0
103.05478	1.7
105.07040	4.4
107.04992	3.0
107.07069	1.2
107.08612	3.1
117.07024	2.4
117.09130	1.9
118.07903	0.8
119.04977	2.7
119.08598	5.2
121.06511	18.4
121.10167	2.0
123.08067	0.8
127.14853	1.9
131.07054	10.7
131.08577	2.3
133.08612	66.3
135.08054	4.1
135.11720	1.8
136.05261	1.2
145.06511	1.1
145.10155	1.7
147.08049	10.3
149.09625	5.6
149.13327	1.4
150.06830	1.5
159.11761	1.3
163.11209	3.1
165.09125	6.8
167.10680	1.7
173.09612	0.9
175.09706	7.2
175.11130	1.5
177.11244	23.7
177.12642	1.2
191.10684	4.3
191.14252	0.9
193.12337	1.7
207.13811	0.7
209.11792	3.3
211.13333	4.0
219.12383	1.9
221.13852	4.6
235.13326	2.5
239.14885	0.8
247.20589	16.3
248.20987	0.9
255.16000	2.3
265.16513	2.8
273.22040	3.7
279.15872	1.0
283.17245	1.0
289.21899	0.7
289.25317	2.1
290.26031	0.8
291.23215	26.9
292.23615	1.8
299.18652	1.4
309.18939	1.0
317.24832	2.9
335.25876	5.2
353.21780	1.2
432.54831	0.8
608.60077	0.8
623.36383	1.1
662.55383	0.9
749.50507	3.3
752.35712	0.9
766.52960	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	764.567
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.2
55.05511	2.2
56.86495	0.8
57.03445	6.2
57.07081	6.1
58.06603	39.9
59.04994	2.1
59.07388	8.5
60.08167	9.7
62.93251	0.7
67.05514	7.2
69.07071	2.3
71.08640	2.5
73.02937	1.0
75.04489	3.2
79.05501	2.8
81.03395	0.8
81.07075	5.8
83.05009	1.0
83.08633	1.3
84.08143	2.7
85.02914	3.7
85.06522	1.1
85.10201	2.5
86.09667	0.9
87.04487	3.2
91.05506	3.7
93.07061	2.1
95.04975	3.6
95.08606	3.7
97.06557	1.1
97.10150	1.0
102.05571	2.1
105.07025	3.2
107.04992	1.0
107.08617	1.2
109.06562	1.6
109.10197	2.9
113.06023	2.7
117.07023	1.6
119.02184	0.9
119.08558	1.7
121.10155	1.2
122.44783	0.9
130.08704	1.0
131.07062	2.1
133.10110	1.0
135.11737	1.2
143.08669	1.0
144.10205	17.5
145.10152	1.4
149.02284	1.0
149.09587	0.9
157.10097	0.8
162.11279	4.8
173.13268	0.9
218.13921	1.1
228.95885	0.9
236.14951	100.0
236.41621	0.8
237.15292	2.1
240.47711	0.8
313.27560	2.6
315.39063	0.9
320.22662	1.0
331.86200	0.9
409.90057	0.9
412.37631	1.2
456.37057	6.3
474.37906	14.4
504.37930	1.3
508.33029	3.8
526.34052	1.6
700.20392	1.0
746.55743	58.5
747.55682	3.0
764.56702	43.1
765.57141	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	764.5667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.0
55.05514	3.0
56.05046	0.4
56.65906	0.3
57.03437	6.6
57.07079	6.5
58.06601	49.7
59.07384	11.0
59.07613	0.2
60.08164	11.0
67.05499	4.1
69.03423	0.6
69.07063	4.1
69.31044	1.6
69.31465	1.2
71.05013	0.5
71.08629	4.2
73.02940	1.0
75.04476	3.4
79.05491	3.6
81.03434	0.6
81.07064	4.1
83.04961	0.5
83.08623	1.7
84.08142	2.5
84.46201	0.3
85.02900	3.4
85.10177	2.4
86.09747	0.7
87.04467	4.9
89.06040	1.2
91.05473	2.3
93.07043	1.4
94.56306	0.3
95.04989	1.1
95.08601	3.4
97.02950	0.4
97.06557	0.8
97.10186	1.0
97.56408	0.4
100.11292	1.0
101.06044	0.5
102.05531	1.8
103.03928	0.8
105.05486	0.8
105.07035	1.4
107.04960	1.1
107.08611	1.1
109.10143	2.2
113.06010	2.1
116.10748	0.4
117.07038	0.8
117.07835	0.5
117.09185	0.5
119.08617	1.0
120.36378	0.3
121.10192	0.6
123.11726	0.4
129.07079	0.4
130.08659	1.2
131.07051	1.9
131.08592	0.7
133.10104	0.5
144.10194	17.6
147.08167	0.4
149.09654	0.4
162.11247	6.2
200.12845	1.1
215.72911	0.4
218.13945	1.8
223.13301	0.4
236.14929	100.0
237.15215	1.7
273.18503	1.4
290.16013	0.6
291.19577	2.0
307.22446	0.4
313.27432	1.2
369.30148	0.5
388.23846	0.4
392.58197	0.4
412.37860	1.0
421.25858	2.4
428.26544	0.6
456.36792	6.3
464.33673	0.5
474.37900	17.1
490.31543	0.5
508.32721	3.5
520.40216	0.4
526.33954	3.4
528.38788	0.6
550.82599	0.4
643.49139	0.7
659.48755	6.6
666.49420	4.8
667.49268	0.6
687.48492	0.6
746.55615	22.9
747.55756	1.4
764.56677	75.2
765.57239	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	764.53
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	7.0
55.05514	26.4
57.03437	13.5
57.07081	11.3
58.06604	32.1
59.04998	6.7
59.07386	9.2
60.08166	9.6
61.16729	1.3
65.03939	5.7
67.05509	92.9
68.05864	1.7
69.03435	12.9
69.07071	23.9
69.25710	10.0
69.26127	4.4
71.04992	5.4
71.08645	4.1
73.02930	3.4
75.04464	3.9
77.03955	2.8
79.05498	79.2
81.03432	10.6
81.07061	93.3
83.04969	7.5
83.08633	11.9
84.08156	1.7
85.02917	13.9
85.06541	5.7
85.10208	2.4
86.16270	1.3
87.04478	5.7
89.06021	3.0
91.04907	2.6
91.05484	58.4
93.07049	100.0
94.07327	2.3
95.04991	10.3
95.08611	67.5
97.02898	6.9
97.06548	6.8
97.10175	4.2
99.04491	2.1
99.08119	6.0
103.05496	1.7
105.04535	2.5
105.07037	42.8
106.76443	1.7
107.04963	4.5
107.08599	55.5
107.09306	3.4
109.06548	6.1
109.10167	32.5
109.10856	2.8
111.04462	2.3
111.08092	6.5
111.11786	1.5
111.41730	1.4
113.09681	1.8
115.05446	2.3
117.07034	23.7
119.04931	1.3
119.08591	33.2
121.06514	3.7
121.10152	52.7
123.04447	1.8
123.08101	4.0
123.11708	18.1
125.09625	3.8
127.03932	2.3
128.06229	2.5
129.05469	2.8
129.07005	9.5
131.07088	2.3
131.08578	38.1
131.09549	2.7
133.06514	2.8
133.08644	1.7
133.10127	26.7
135.08107	5.0
135.11696	41.9
137.09656	5.1
137.13280	4.4
141.07115	1.9
142.07776	2.0
143.08560	9.8
144.10207	12.9
145.06586	1.9
145.10132	27.5
146.07394	1.8
147.11693	21.5
149.09657	3.6
149.13264	24.9
151.11201	4.3
155.08594	2.7
155.10637	2.2
157.10146	7.5
159.11705	24.3
161.09660	1.8
161.13281	7.8
162.11307	4.7
163.11276	5.8
163.14896	4.3
169.10147	3.0
171.11734	6.6
173.09778	1.5
173.11823	2.4
173.13264	19.7
175.11140	1.7
175.14917	4.2
177.12807	3.2
183.11798	3.9
185.09685	2.8
185.13336	2.8
187.14835	8.0
189.12755	1.8
189.16396	2.9
197.13300	2.3
199.14883	3.0
201.12830	2.1
205.19534	3.7
213.16438	1.8
215.17967	44.4
215.19949	2.8
218.13936	1.9
223.14937	1.9
233.19012	38.7
233.21164	2.3
236.14944	82.5
243.21156	4.1
251.20238	3.0
261.22159	15.3
271.21097	2.1
273.22165	1.6
277.21704	2.5
292.83997	1.5
301.21750	1.7
303.23267	3.1
307.22592	15.6
309.28748	1.5
313.21533	2.0
325.23822	10.2
327.23303	2.1
328.82318	1.6
335.26004	2.5
341.24976	2.8
345.24683	1.9
351.23178	2.9
369.24213	7.7
387.25449	6.9
405.26517	10.1
423.27615	4.6
443.62326	1.7
456.36954	4.5
474.38007	10.0
508.32410	2.2
526.34009	2.4
746.55560	8.9
764.56738	59.0
765.56860	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	761.483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	12.4
55.01873	37.1
55.05280	2.8
55.05516	44.3
55.87698	2.6
57.01517	2.4
57.03439	16.9
57.07071	6.8
59.04991	12.3
60.50352	2.4
61.02922	14.2
65.03937	6.8
67.05506	92.9
69.03449	13.9
69.07066	33.6
70.06815	7.6
71.04996	7.1
73.02898	5.9
73.12492	2.7
77.03915	2.9
79.05493	100.0
80.05795	2.4
80.17342	2.4
81.03416	12.8
81.07056	77.7
83.04968	9.7
83.08618	17.7
85.02915	16.7
85.06541	4.1
91.03933	5.3
91.05482	78.6
93.07044	93.1
95.04960	17.3
95.08611	46.4
97.02891	11.9
97.06530	52.4
97.10165	17.9
99.04441	4.4
99.08096	4.7
101.02413	2.7
101.06011	3.2
105.04514	4.3
105.07032	61.8
107.04950	23.1
107.08593	58.6
109.06519	6.1
109.10163	25.7
111.08078	4.0
115.07479	3.1
117.07001	25.5
117.09133	3.2
119.08577	38.1
121.06535	6.1
121.10136	38.2
123.08056	3.5
123.11700	9.8
125.09633	16.4
127.03903	5.0
127.18017	2.4
129.07013	7.9
131.08577	31.1
133.10117	38.1
135.08047	9.2
135.11678	23.1
137.09709	4.9
139.11116	2.8
141.07027	3.5
143.08556	10.0
145.06458	3.6
145.10126	28.3
147.08017	4.6
147.11690	21.8
149.09630	33.6
149.13266	12.3
151.11137	3.6
155.08537	2.7
157.10164	7.5
159.08107	3.2
159.11694	22.7
161.09673	3.2
161.13269	9.2
163.11168	11.7
165.09239	2.8
169.10159	9.0
171.10207	5.5
171.11687	7.4
173.13216	12.7
177.12773	5.4
179.14369	2.9
181.10124	3.0
183.11696	5.0
184.07410	6.1
185.13245	4.6
187.11078	3.6
187.14870	3.8
189.11217	11.2
193.12314	2.9
199.14798	4.0
211.14934	3.4
213.16345	6.2
215.17972	10.8
227.12805	25.7
229.14180	4.5
229.16159	3.6
231.17545	4.2
233.19124	10.4
236.14853	2.6
247.20491	3.8
257.18982	6.7
273.18256	2.7
275.20111	58.8
293.21078	5.9
307.22681	92.5
308.22787	2.8
339.27307	2.8
349.23724	44.5
403.28329	3.9
461.33600	2.5
477.32144	10.9
485.35901	6.7
487.33966	5.4
581.42090	45.3
582.42303	3.3
599.43048	21.1
623.42285	3.2
761.41510	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	764.5299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.0
55.05513	21.1
56.30627	1.6
57.03441	15.3
57.07069	6.4
61.02927	4.7
65.03931	4.3
67.05505	100.0
69.07063	20.4
69.79749	8.6
71.04990	5.0
79.05494	80.5
81.07055	93.5
83.04964	3.3
83.08633	10.6
85.02897	5.1
85.06557	4.3
91.05482	44.4
93.07045	88.9
95.04967	4.8
95.08606	72.3
97.02904	2.1
97.06547	5.6
97.10175	4.9
98.21476	3.5
99.08101	3.6
103.05370	1.6
105.04494	3.2
105.07031	33.1
107.08591	37.7
109.06515	2.5
109.10158	31.3
111.08089	2.5
115.67340	1.8
117.06996	13.4
119.08584	25.6
121.10138	39.3
123.08048	3.4
123.11700	12.9
125.09622	3.6
129.05446	1.8
129.07011	5.0
131.08569	20.0
133.10115	28.0
135.08044	3.4
135.11685	27.1
137.13264	3.2
143.08609	4.1
145.10132	20.7
147.11707	20.1
149.09625	3.3
149.13266	12.6
157.10162	2.6
159.11678	13.8
161.13206	8.2
163.11256	1.5
163.14784	4.6
171.11731	6.4
173.13237	10.9
175.14813	3.8
185.13239	4.6
187.14864	5.1
189.29575	1.7
199.26276	1.7
201.16389	2.5
203.17961	2.0
213.16388	6.5
215.17940	18.8
231.17493	6.9
233.18993	15.6
236.14842	3.0
241.19690	1.8
243.21085	3.0
257.18900	1.8
259.20584	6.5
261.22095	13.0
264.93182	1.9
289.21646	2.5
305.21088	4.0
307.22656	90.5
308.22998	2.1
309.24301	8.3
333.24365	5.0
335.25806	79.4
337.27283	6.3
353.51794	1.8
493.39993	2.2
521.30255	2.0
567.44159	17.8
585.45074	14.8
638.32404	1.9
764.56476	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	761.4831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.9
54.10902	1.7
55.01875	10.3
55.05516	20.4
57.03440	18.6
58.06609	2.8
59.05001	31.0
65.03947	2.9
67.05505	49.7
69.07074	22.3
69.33698	3.9
69.34119	14.4
71.05000	2.6
79.05495	60.1
81.03417	5.6
81.07058	61.1
83.04977	6.4
83.08632	6.4
85.06520	2.3
87.02015	2.0
87.04474	2.5
89.06023	5.1
91.05483	47.4
93.07044	55.3
95.01319	4.0
95.04984	6.7
95.08613	36.7
97.06543	16.1
97.10184	2.0
101.06023	2.8
103.07594	2.9
105.07040	51.5
107.04951	9.2
107.08596	18.6
109.06541	3.0
109.10137	10.9
112.86478	2.2
115.05488	2.7
115.07564	3.7
117.07024	11.8
117.09139	4.6
119.08577	29.2
121.06521	2.7
121.10154	22.9
123.08062	4.7
123.11745	2.4
129.07068	2.9
131.08577	17.9
133.10144	26.5
135.08035	4.9
135.11682	9.3
137.09590	2.8
138.41225	1.8
143.08553	3.5
145.10149	13.4
147.11697	8.8
149.09647	5.4
149.13264	3.5
151.11156	3.3
157.10115	2.3
159.11726	9.0
163.11237	3.8
166.05115	2.1
169.10202	2.2
170.43811	1.8
173.13272	3.4
175.13339	3.1
179.14297	4.4
183.11690	2.8
185.13307	2.8
219.15495	3.6
219.17459	49.2
236.14992	4.0
239.18192	2.3
257.19000	5.8
275.20084	42.5
293.21094	2.1
307.22675	100.0
308.23242	3.6
329.98608	2.0
349.23666	20.9
518.69965	2.1
581.42047	88.9
582.42200	5.7
713.89893	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.5774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	3.1
57.03431	0.9
57.07078	32.9
59.05003	4.3
67.05521	1.6
67.30175	0.5
68.99606	0.5
69.07064	4.4
70.04034	0.5
71.05003	0.8
71.08634	30.4
71.29073	1.0
73.02921	1.9
73.06173	1.0
73.06560	10.6
74.09715	0.5
74.64374	0.5
76.00733	0.6
79.05508	1.1
81.07044	1.3
83.08618	4.6
85.10190	18.5
87.04472	12.3
89.02390	2.1
89.06033	100.0
91.05463	1.4
91.07582	0.8
93.07065	0.8
95.08607	1.3
97.10175	3.9
99.11754	2.6
99.53282	0.5
105.07052	4.0
107.07075	1.6
107.08537	0.7
111.11711	2.5
113.13258	0.9
115.07619	0.9
117.05503	1.1
117.09143	8.8
125.13290	1.5
127.14823	1.3
130.08621	2.5
131.07054	3.5
133.08611	50.5
134.08974	0.7
134.73615	0.5
139.14868	0.6
139.94423	0.5
141.16393	1.2
155.17914	0.8
161.11748	1.9
175.09642	2.5
177.11232	18.9
184.07372	2.0
197.22646	2.4
219.12195	0.8
221.13824	3.0
229.13661	0.5
236.14990	1.4
239.15179	0.7
239.36710	0.6
241.25323	1.8
265.16559	0.9
283.17673	1.2
285.27847	4.5
301.00864	0.5
309.19086	0.8
313.27499	1.7
329.30515	2.9
538.19232	0.6
743.55017	2.0
760.57434	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.4614
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.9
55.01870	0.6
55.05511	1.3
56.72517	0.3
57.03437	1.0
57.78380	0.3
59.04995	0.8
67.05506	4.6
69.07068	1.3
69.96423	0.3
71.22765	0.7
73.02929	0.6
73.06560	1.1
77.03928	0.4
79.05497	8.9
81.03423	3.6
81.07053	4.2
83.04958	0.4
83.08627	1.1
86.09731	0.8
87.04472	8.0
89.06036	51.4
90.06364	0.4
91.04906	0.6
91.05481	12.2
93.07051	6.0
95.04988	3.2
95.08612	2.9
97.10142	0.5
98.21387	0.3
103.05472	7.3
105.07036	100.0
106.07375	1.6
107.04969	2.1
107.07064	0.6
107.08578	2.0
107.15862	0.3
109.06539	0.5
109.10164	1.3
111.08069	0.4
115.05461	0.4
116.06256	0.4
117.07015	1.9
117.09120	1.1
119.04929	1.3
119.08587	6.4
121.06512	18.1
121.10149	1.8
123.08027	0.5
123.11671	0.4
125.00014	0.5
128.06221	0.9
129.07013	4.1
131.07069	2.6
131.08577	8.7
132.05716	1.0
133.06503	0.9
133.08607	32.2
133.10022	1.6
135.08051	1.1
135.10193	0.4
135.11681	1.3
145.06474	1.2
145.10100	0.6
147.08052	36.9
148.08383	0.9
149.09624	7.2
151.07574	0.5
151.11192	0.3
159.11655	0.5
163.07613	0.4
163.11165	0.8
165.09088	1.5
170.26649	0.3
173.09654	0.8
173.13202	0.5
175.09668	1.5
175.11087	0.5
177.11241	11.1
179.08562	0.7
181.10132	1.5
184.07310	2.6
191.10686	0.7
193.10449	0.3
193.12241	1.1
207.11742	0.5
208.08891	0.4
209.11676	1.0
219.12151	0.4
221.13866	2.3
223.11221	2.4
225.12749	19.5
226.13008	0.6
227.12769	0.8
234.10255	0.3
249.12738	2.8
251.14354	2.9
261.22034	0.5
267.13455	0.5
267.16098	2.3
269.15356	2.6
283.17490	0.8
295.16843	0.4
311.16431	0.6
313.18118	1.5
315.17838	0.4
327.17346	0.7
329.18979	0.7
329.76422	0.3
335.25839	5.2
373.21634	6.6
417.24307	0.5
445.25510	0.4
447.25641	0.3
527.37537	1.9
528.52753	0.3
535.30481	0.6
545.38068	1.4
636.93262	0.4
639.36816	1.4
743.42920	0.9
760.44226	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.4616
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.2
54.03433	0.4
55.01866	1.2
55.05499	1.4
57.03450	0.5
57.07051	0.4
58.35241	0.4
58.75506	0.4
59.04990	1.2
59.62592	0.4
61.62476	0.4
65.03902	0.5
65.41767	0.4
67.05515	4.1
69.03413	0.5
69.07063	1.1
69.62372	2.6
71.04973	0.5
73.02911	0.8
73.06561	0.8
77.03931	1.2
79.05497	9.0
81.03424	4.0
81.07066	4.7
83.04992	0.7
83.08635	1.1
86.09702	0.8
87.04473	8.2
89.06036	51.4
91.05482	13.1
92.05824	0.5
93.07051	4.8
95.04971	3.0
95.08598	3.0
97.06515	0.6
103.04818	0.6
103.05475	8.3
105.07035	100.0
106.07384	2.1
107.04960	1.9
107.08584	1.8
109.10151	1.0
109.65205	0.4
110.46667	0.4
111.08102	0.5
115.05466	0.5
117.07030	1.8
117.09164	1.2
119.04947	1.2
119.08595	6.4
121.06513	17.2
121.10165	1.8
128.06233	1.6
129.07014	3.9
130.08672	0.7
131.07063	2.8
131.08557	9.6
132.05695	0.7
133.06508	1.2
133.08609	30.3
133.10204	1.7
135.08099	0.7
135.11673	0.7
137.05952	0.5
145.06488	1.1
145.10147	0.8
147.08052	39.7
147.11685	1.0
148.08354	0.8
149.09624	9.0
157.10094	0.5
159.11772	0.7
163.11229	0.7
165.09164	1.3
173.09653	0.7
175.09692	2.1
175.11131	0.7
177.11238	10.6
177.12715	0.8
178.84579	0.5
181.10156	1.5
184.07359	2.8
191.10666	0.8
193.12268	2.0
207.11751	0.8
208.08914	0.6
209.11668	1.0
219.12151	0.5
221.13911	2.0
223.11240	2.6
225.12741	18.4
226.13034	0.6
227.12833	0.8
237.12715	0.5
249.12682	2.3
251.14374	2.6
261.22141	0.8
267.15979	4.1
269.15317	3.6
283.17709	0.4
295.16772	0.5
311.16440	0.7
313.17999	1.6
315.18042	0.5
327.17432	0.8
335.25787	4.8
336.26373	0.4
373.21725	4.9
420.75314	0.5
527.37329	2.1
535.31171	0.8
545.38708	1.5
639.37421	1.1
743.43365	0.8
744.43604	0.5
760.44708	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.4116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	15.0
55.01874	22.1
55.05513	34.6
57.03436	27.0
57.07070	3.5
59.04990	5.2
59.05641	4.2
61.02907	9.8
65.03926	9.3
67.05509	74.5
69.03421	18.7
69.07070	72.7
69.75909	7.6
69.76316	13.3
71.01335	4.5
71.04999	10.3
73.02900	6.2
79.05498	100.0
80.05853	3.6
81.03420	28.2
81.07055	92.8
83.01349	10.2
83.04975	24.9
83.08608	20.5
85.02904	19.4
85.06553	5.6
91.03946	8.3
91.05484	86.3
93.06492	7.5
93.07043	78.9
95.04974	27.0
95.08617	51.7
97.02893	20.2
97.06543	30.3
97.10152	8.1
99.04455	5.2
105.07034	55.8
107.04932	27.1
107.08596	45.4
109.02866	6.1
109.06519	19.6
109.10135	20.9
111.08075	10.4
117.07015	37.3
119.08589	44.2
121.06528	12.8
121.10141	30.3
123.08072	27.8
125.09602	9.4
127.07563	9.8
128.06308	5.3
129.05457	5.4
129.07002	14.1
131.04890	4.9
131.08551	32.5
133.06488	4.7
133.10164	29.2
135.08064	45.4
135.11719	21.9
137.09621	30.0
139.07487	4.3
141.09128	5.9
143.06973	6.0
143.08524	7.9
145.06477	6.5
145.10132	39.9
147.08029	6.5
147.11693	7.7
149.09608	32.1
151.11154	11.4
153.09082	5.1
153.91895	4.4
155.08597	6.0
157.10172	8.0
159.08012	5.3
159.11687	10.1
161.09616	6.3
163.07549	6.2
163.11176	40.0
165.09109	7.7
167.08545	4.6
169.10136	7.9
171.11580	5.3
173.09604	10.1
173.13284	4.2
181.12192	6.2
184.07365	13.5
187.14732	5.3
191.10596	6.6
191.14293	5.7
199.09610	6.1
201.16385	8.9
209.11720	13.7
211.14867	6.0
225.11263	5.9
227.12831	6.5
229.15901	15.5
245.15332	4.7
247.16956	28.5
255.12337	9.5
263.16312	6.2
263.55228	4.5
265.18051	4.7
271.11877	4.2
276.96146	4.2
283.15393	99.1
298.96976	4.0
321.20602	46.4
337.19989	5.0
379.20795	8.2
409.22348	6.9
433.25906	5.1
511.30627	5.1
513.31824	5.9
529.31616	32.7
545.30865	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	758.5928
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88654	0.6
55.01846	0.6
55.05491	1.9
56.05016	1.0
57.03445	3.5
57.07047	1.0
58.06601	26.0
59.04995	1.4
59.07131	0.6
59.07381	7.6
60.08163	14.5
67.05513	6.4
69.07039	1.6
71.07385	3.7
71.49424	1.1
74.09705	1.5
75.04461	2.2
76.18950	0.5
79.05485	3.2
79.29484	0.6
81.07057	5.9
83.08612	0.8
85.02888	2.0
86.09706	32.6
87.04477	3.1
91.05461	1.7
93.05517	0.7
93.07048	3.8
95.08601	4.2
98.98450	3.6
104.10733	1.8
105.07043	1.1
107.08564	1.4
109.10143	1.0
113.06005	0.8
119.08586	0.8
121.10121	1.3
125.00004	21.1
126.15911	0.7
131.07016	1.5
135.11737	0.9
142.50670	0.7
144.10208	9.9
144.11272	1.2
161.87523	0.7
162.11288	3.8
184.07350	100.0
185.07646	1.9
207.25687	0.6
236.14932	63.0
237.15291	2.0
434.36627	0.7
478.35367	3.7
480.37024	2.9
496.36325	7.2
498.37784	7.6
758.59198	68.6
759.59253	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	759.4675
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	16.4
55.01878	12.9
55.05515	39.1
57.03444	16.0
57.03678	3.3
57.07063	3.4
58.06602	6.1
59.04993	12.2
59.06115	7.5
61.02916	4.0
61.21966	2.4
65.03935	6.0
67.05506	70.6
69.03434	29.9
69.07072	26.0
69.14983	30.0
70.71236	2.7
71.01360	4.5
71.04983	10.1
72.43226	2.3
73.02921	6.6
79.05493	100.0
81.03417	35.4
81.07063	63.7
83.04984	13.2
83.08617	23.4
85.02893	17.3
89.06013	5.1
91.05481	60.3
93.07048	82.4
95.04972	22.7
95.08607	41.0
97.02902	15.8
97.06538	7.6
97.10166	22.3
99.04469	3.9
101.02421	2.9
105.04517	3.7
105.06396	4.5
105.07031	46.6
107.04995	13.4
107.08595	39.0
109.02873	8.1
109.06521	8.0
109.10165	18.6
111.04408	4.3
111.08064	4.6
115.05414	3.2
117.07008	18.6
119.08586	35.6
121.06478	8.2
121.10148	29.8
123.08066	16.1
123.11695	5.0
125.09644	24.1
127.03903	14.6
128.06227	4.9
129.07001	13.8
131.08575	26.1
133.06384	3.9
133.10118	17.6
135.08047	10.1
135.11674	9.4
137.09586	10.1
142.07701	2.8
143.08551	11.6
145.05086	2.8
145.06412	3.9
145.10136	23.2
147.08052	12.9
147.11703	8.1
149.05952	3.0
149.09628	8.3
149.13274	4.6
153.09183	4.1
155.08569	4.2
157.10104	10.7
159.08028	4.0
159.11714	15.4
161.09589	8.6
161.13307	3.4
163.11165	6.2
165.09094	6.3
169.10158	6.0
171.11685	10.2
173.04503	6.0
173.09673	3.1
173.13277	7.9
175.11162	8.7
177.12798	3.9
183.11702	3.4
184.07262	5.2
185.09607	3.5
185.13362	5.9
187.11217	4.7
189.09470	2.7
189.11223	17.2
193.12190	5.0
199.11171	3.0
205.12271	4.8
211.13307	3.1
215.17932	5.8
223.13281	9.3
227.12819	9.2
233.18791	2.9
236.14952	3.5
245.19069	4.0
273.15677	4.2
273.18500	33.9
275.19992	5.4
291.19528	44.8
305.79556	2.7
307.22711	49.1
347.22183	8.6
348.58475	2.9
349.23557	3.4
365.23102	9.0
435.23630	3.6
509.27554	3.0
579.39972	9.1
597.41467	31.2
661.38971	4.1
741.45129	7.8
759.47229	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	758.469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.7
54.04029	2.0
55.01880	12.1
55.05517	24.2
57.03445	24.8
57.07079	5.5
58.06593	5.9
59.04993	6.7
61.02927	5.3
65.03922	6.5
67.05508	100.0
69.03429	6.3
69.07069	22.0
69.16933	21.5
71.01340	2.5
71.05003	10.7
72.64544	2.3
73.02924	2.9
77.13185	2.5
79.05496	76.6
81.03421	22.7
81.07060	90.4
83.04993	18.7
83.08621	15.7
85.02901	14.6
85.06520	5.2
86.09693	2.4
87.04478	4.2
89.06046	2.4
91.05485	46.9
92.05827	2.1
93.07045	84.9
95.04988	12.9
95.08612	57.8
97.02913	15.3
97.06536	12.3
97.10168	4.4
99.04450	3.2
99.08099	3.6
101.05961	2.0
101.21172	2.2
105.07037	34.2
107.04966	18.6
107.08604	37.9
109.06512	9.3
109.10157	45.2
111.04476	11.4
111.08071	6.6
117.07021	21.0
119.08588	30.0
121.06513	8.3
121.10152	39.4
123.08082	6.1
123.11703	8.3
125.05947	3.9
125.09631	3.9
129.05495	2.2
129.07030	6.1
131.08566	20.5
133.10144	20.3
135.08055	6.7
135.11707	32.4
137.09604	6.2
139.11148	3.1
143.08574	8.0
144.10217	3.2
145.06470	3.3
145.10115	29.9
147.08072	4.8
147.11693	8.2
149.09601	5.3
149.13271	8.1
151.11195	2.5
153.12730	10.0
155.08505	3.0
155.10741	2.4
157.10133	5.1
159.11726	13.1
161.09674	2.6
161.13266	4.2
163.11205	35.0
165.12718	2.9
173.09627	6.1
173.11870	4.0
173.13290	7.1
181.12231	11.6
182.72437	2.0
184.07356	5.9
187.11157	2.6
187.14822	2.7
189.12773	2.1
191.10660	11.2
209.11693	24.1
215.17970	11.9
223.13293	2.4
227.12724	14.1
229.14336	24.0
233.19000	10.4
236.14931	9.7
243.21080	3.0
245.13924	3.5
261.22089	8.5
283.15396	30.4
297.16882	8.2
301.16464	56.9
307.22675	34.5
317.24738	3.2
333.45660	2.0
334.18469	4.1
335.25812	86.9
336.26028	3.3
433.30991	2.6
451.32114	6.1
461.32651	15.3
469.33237	4.1
525.35645	4.9
529.35028	2.5
543.36884	36.1
556.82184	2.4
561.29913	4.4
561.37946	66.4
562.37854	4.9
572.41193	9.5
596.08710	2.6
596.39264	2.3
758.40936	6.4
758.51917	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	758.4683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.5
55.01871	7.3
55.05519	27.1
57.03443	18.4
57.07063	6.0
58.06590	2.4
59.04995	3.7
61.02920	4.6
65.03933	6.8
65.74400	2.0
67.05509	100.0
69.03413	3.4
69.07076	21.0
69.37048	16.4
71.04995	6.3
76.38800	1.8
79.05499	65.3
81.03419	22.0
81.07066	76.5
83.04990	12.9
83.08627	15.2
85.02911	10.4
85.06552	6.3
86.09709	5.4
91.05482	43.5
93.07050	74.6
93.07643	3.2
95.04990	11.4
95.08613	49.7
97.02896	10.7
97.06535	6.8
97.10170	6.0
99.04438	3.5
99.08087	4.1
103.05512	2.2
105.07036	27.7
107.04983	13.8
107.08596	37.4
109.06536	6.8
109.10163	49.1
111.04427	10.7
111.08068	5.4
115.05501	2.4
117.07035	10.0
118.78916	2.1
119.08604	22.0
121.06519	8.2
121.10154	30.7
123.08053	5.5
123.11710	4.7
125.00005	4.7
125.09634	3.7
127.07564	2.2
129.07011	5.2
131.08580	19.8
133.06462	3.0
133.10143	17.2
135.08037	3.8
135.11700	26.3
137.05988	2.6
137.09610	5.3
143.08565	5.5
145.06479	3.0
145.10139	21.9
147.08060	4.6
147.11678	7.1
149.09650	3.6
149.13283	9.5
151.11182	3.1
153.12785	3.7
155.10699	3.7
157.10121	2.2
159.11682	10.2
161.13214	3.7
163.11200	20.3
169.10158	2.5
171.11684	3.8
173.09627	4.6
173.11720	7.4
173.13289	7.2
175.14796	2.8
177.07886	5.1
181.12183	7.2
183.11734	2.4
184.07343	14.8
185.13275	2.0
187.11197	2.7
187.14865	5.1
191.10637	6.3
209.11771	23.2
215.18030	11.7
223.13293	3.4
227.12810	10.5
229.14348	42.4
233.02029	2.1
233.19043	6.8
236.14923	2.2
243.21167	3.4
261.22272	10.4
265.14163	2.7
283.15436	41.1
289.21747	3.4
297.16782	9.8
301.16449	22.1
307.22702	41.5
333.24487	3.0
335.25836	58.5
433.30728	3.9
437.40887	1.9
451.32101	5.4
461.32559	21.7
469.33005	5.1
511.33813	3.1
515.36938	3.6
525.35785	9.2
529.35382	9.8
543.36774	49.1
561.37775	21.1
576.35553	2.3
755.11688	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.5774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.7
55.01847	0.5
55.05511	2.0
57.03439	4.9
57.07079	2.5
58.06604	36.7
58.07013	1.3
59.04970	1.4
59.07384	11.2
60.08171	9.2
60.08460	0.4
65.03923	0.4
67.05508	8.3
69.07072	2.4
69.44205	3.1
70.78819	0.4
71.08650	2.0
73.02884	0.5
73.06519	0.7
75.04491	2.9
75.34838	0.4
75.82012	0.4
79.05505	7.1
81.07059	6.3
83.08585	1.6
84.08138	1.1
85.02913	2.1
85.10147	1.2
86.09675	1.8
87.04464	4.2
88.04711	0.4
89.06037	2.5
91.05486	4.0
93.06505	0.5
93.07050	7.0
95.04955	0.5
95.08605	4.4
97.10138	0.5
100.11221	0.6
102.05519	1.7
103.03916	0.7
105.05497	0.5
105.07025	2.5
107.08623	1.9
109.10123	1.5
112.99999	0.9
113.05981	1.3
117.07009	0.6
117.09096	0.5
119.08563	1.5
121.10121	1.7
125.00008	0.7
130.08653	0.5
131.07033	1.4
131.08612	0.7
133.10129	0.9
135.11705	1.0
144.10205	14.9
145.10104	0.5
147.11661	0.7
159.06395	0.4
162.11264	4.9
169.02635	0.7
184.07372	3.0
200.12837	0.7
218.13974	0.8
236.14938	94.1
237.15254	1.3
313.30847	0.4
388.29330	0.5
391.28445	0.6
434.36444	1.2
438.89252	0.5
478.35239	8.4
478.41672	0.7
496.36353	23.5
644.54230	0.9
756.57739	100.0
757.58173	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	757.1973
Annotation	Quercetin 3-(6'''-p-coumarylglucosyl)(1->2)-rhamnoside
Peak:m/z	Relative Intensity
53.03936	0.5
54.73831	0.1
55.62991	0.2
57.03416	0.3
59.01358	0.2
64.25426	0.2
65.03936	1.2
69.03139	0.2
69.03435	1.6
70.02065	0.8
71.04977	0.5
72.89785	0.2
73.74816	0.2
81.03418	2.6
83.04991	1.3
85.02901	1.3
91.05482	9.0
92.05799	0.2
97.02888	0.8
98.21521	0.2
99.04444	0.3
107.04961	1.2
109.02905	0.8
111.04459	0.5
119.04944	21.4
120.05315	0.2
121.02924	0.4
123.04454	0.5
127.03922	0.6
135.04396	0.2
137.02333	1.2
147.04416	100.0
148.04739	1.6
151.03914	0.9
153.01782	0.2
159.04369	0.2
161.05978	0.4
163.03979	0.2
165.01884	0.3
165.05484	5.4
165.06883	0.3
169.04947	0.3
173.16850	0.2
187.07579	0.2
195.03117	0.2
213.09097	0.3
257.08102	1.8
271.05893	0.2
285.03983	0.2
287.05685	0.2
291.08640	3.7
293.10226	0.3
299.05511	0.7
302.04312	0.4
303.04956	4.8
309.09683	2.7
315.05035	1.9
316.05844	0.4
327.05048	0.9
341.06784	0.5
345.06061	5.6
367.08493	0.2
369.06067	1.3
387.07553	0.2
395.07571	0.6
413.08685	1.4
419.13675	0.3
431.09900	1.4
449.10861	3.7
665.41150	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	2.8
53.03937	3.6
55.01861	2.5
55.05507	17.6
57.03441	12.7
57.07070	4.1
58.06588	2.5
59.05005	2.8
61.02913	4.7
65.03928	3.1
67.05505	52.7
69.03420	3.9
69.07071	11.3
69.29516	7.8
69.29923	1.6
71.01347	1.2
71.04989	2.5
71.08630	1.5
73.02901	2.1
79.05492	35.4
81.03414	3.2
81.07053	49.1
83.04966	3.2
83.08623	10.8
85.02895	3.5
85.06527	2.6
87.04465	1.4
89.06028	2.4
91.05482	30.4
93.07042	44.4
95.04945	5.2
95.08608	30.1
97.02870	4.7
97.06526	4.4
97.10159	2.6
99.00822	14.7
99.04408	1.4
99.08057	1.3
101.06033	1.0
103.05482	1.3
105.04531	1.5
105.07034	26.3
107.04947	4.6
107.08588	21.4
109.02895	7.9
109.06511	4.4
109.10155	18.2
111.08061	4.5
115.03902	1.7
115.05436	1.5
117.06998	9.1
119.08588	16.0
121.06511	7.2
121.10143	16.5
123.04374	1.7
123.08060	1.7
123.11700	6.1
127.03903	2.3
128.06265	1.5
129.06995	1.7
131.08571	9.1
133.06390	1.8
133.08588	1.6
133.10129	36.1
135.08038	3.0
135.11678	9.4
137.05984	2.9
137.09618	3.0
139.07545	2.0
143.08549	4.6
145.06476	1.6
145.10112	5.5
147.08035	2.6
147.11671	4.9
149.09662	2.1
149.13239	5.2
151.11186	8.3
159.11694	4.8
161.09621	15.0
161.13228	2.5
162.11349	1.3
163.11101	1.5
163.14839	3.7
165.09161	1.1
171.08083	3.6
173.13216	3.5
175.14877	1.6
179.10620	7.2
184.07367	3.3
187.14842	1.7
189.09215	6.1
189.10696	1.2
197.11780	2.4
201.07852	1.4
207.10118	3.9
225.11180	13.2
227.12668	1.4
230.11755	1.4
236.14870	4.4
243.12254	3.2
243.21104	5.8
261.22144	22.9
273.13605	1.9
273.83200	1.1
274.17850	1.3
277.21713	1.6
281.13791	3.4
299.14886	84.8
315.23282	3.1
317.24597	3.0
335.25793	100.0
336.26089	3.7
431.29535	1.2
443.47330	1.2
456.37106	1.5
467.31482	3.1
474.38394	1.6
485.32510	1.8
513.35693	1.7
514.81323	1.2
531.36334	1.6
541.35077	10.5
559.36285	44.1
560.36572	3.0
572.41327	4.0
652.37909	1.3
712.47565	2.2
756.51239	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	756.4532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00321	5.2
53.03935	4.0
53.54947	0.9
55.01863	4.3
55.05513	25.6
57.03442	14.0
57.07067	3.9
58.06607	11.0
59.04989	4.6
59.07373	3.5
60.08157	3.2
61.02916	4.8
62.06081	1.3
64.52876	0.9
65.03939	2.5
67.05511	51.1
69.03423	2.8
69.07071	11.9
69.21884	9.0
71.01342	2.5
71.05007	5.2
71.07381	1.0
71.08612	3.0
73.02927	1.9
79.05499	35.4
81.03425	5.7
81.07061	55.4
83.04983	5.3
83.08627	14.3
85.02924	4.9
85.06544	2.7
86.09709	9.9
91.05489	32.6
93.07054	46.7
95.04968	5.6
95.08617	35.8
97.02917	5.5
97.06536	4.6
97.10160	3.7
98.98473	1.9
99.00825	18.8
99.04484	1.7
99.08058	1.1
102.05543	1.5
103.05450	1.9
105.04529	1.5
105.07036	25.8
107.04975	8.4
107.08607	22.4
109.02893	11.0
109.06509	4.5
109.10162	16.7
111.04411	1.5
111.08082	4.5
115.03922	3.2
117.07024	8.3
117.07800	1.6
119.08586	14.1
121.06510	7.5
121.10147	13.1
123.04436	2.9
123.08054	2.4
123.11723	5.7
124.99999	5.5
127.03915	1.9
128.06244	2.1
129.06967	1.4
131.08604	9.0
133.06534	1.5
133.10141	44.3
135.08023	2.5
135.11702	11.3
137.05975	2.5
137.09579	1.2
137.13203	1.3
139.07573	2.4
143.08572	6.0
144.10231	5.9
145.10132	4.6
147.06836	1.9
147.08047	1.5
147.11708	5.5
149.13254	4.5
151.11171	9.5
159.11658	5.1
161.09637	18.6
161.13257	4.3
162.11263	4.1
163.14795	2.8
165.09155	1.0
171.08047	2.6
173.13275	4.5
175.14810	2.2
177.16454	1.4
179.10646	8.7
184.07358	24.7
185.13322	1.2
187.14838	1.1
188.64548	1.0
189.09143	8.3
197.11752	3.9
207.10149	4.3
218.13821	2.4
225.08038	1.0
225.11209	16.7
236.14957	17.0
243.12292	2.8
243.21182	5.6
243.23627	0.9
260.14929	2.2
261.22144	17.3
273.13535	2.6
277.21786	1.6
281.13812	3.6
299.14917	100.0
313.27643	1.2
315.23349	2.0
316.17606	1.5
317.24857	2.5
334.18558	7.4
335.25821	77.4
336.26093	2.3
368.49377	1.0
400.21616	1.2
449.30496	1.6
456.36703	2.9
467.31903	5.2
474.37704	3.8
485.32703	1.5
513.35425	1.9
541.35352	5.3
559.36328	29.6
560.36566	1.3
572.41620	18.0
577.37122	1.5
712.47571	3.4
738.47137	2.0
756.49725	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	752.515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.6
55.01871	2.0
55.05510	8.8
57.03439	13.9
57.06842	2.7
57.07083	31.6
59.04997	5.2
64.74268	1.7
67.05514	17.3
69.07063	7.7
70.36199	1.7
71.08635	22.9
71.49448	2.0
79.05482	11.0
81.03418	54.3
81.03871	3.7
81.07057	15.8
83.04996	2.8
83.08627	21.0
85.10175	15.1
86.10542	2.3
87.04449	2.1
89.06017	3.2
91.05491	9.4
91.05981	1.8
93.07051	6.4
95.04980	17.5
95.08598	16.7
97.02910	1.7
97.10163	5.6
99.11712	1.9
105.07008	10.5
107.04929	4.4
107.08568	2.0
109.10167	7.6
111.04439	2.7
111.08094	5.3
115.05502	1.6
119.08569	6.9
121.06577	2.2
121.10111	4.4
123.11700	3.8
129.07011	5.4
131.08562	5.9
133.10155	2.3
137.13271	2.0
147.08075	2.9
147.11668	5.9
149.09653	3.3
154.82880	1.7
157.10139	8.3
163.11218	2.3
175.11195	7.5
184.07324	2.3
193.12247	24.6
194.12569	1.7
211.13397	1.8
236.14868	5.3
239.23770	2.7
249.95372	1.7
267.15921	98.8
268.16272	2.8
296.84802	1.7
301.14352	1.9
313.27371	100.0
314.27692	4.2
505.38937	86.1
506.39291	3.7
547.39716	2.7
734.58508	2.5
752.47333	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	752.6035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.5
55.05478	2.4
57.03438	5.3
57.07074	5.3
58.06602	30.3
59.07383	8.4
60.08165	8.5
61.86716	0.5
65.03925	0.6
67.05503	4.5
69.07028	1.8
69.55414	3.4
70.19778	0.5
71.08624	3.1
73.02914	0.8
75.04478	2.7
79.05501	3.7
81.07061	3.8
82.33717	0.6
83.04931	0.7
83.08599	1.4
83.45251	0.5
84.08118	0.9
85.02901	2.8
85.06544	0.6
85.10113	1.1
87.04471	4.1
89.05997	1.5
91.05443	2.0
93.06999	2.2
95.08615	3.4
96.17104	0.5
97.10142	0.9
102.05515	0.7
103.03880	0.6
103.47887	0.5
105.06984	1.8
107.08556	1.3
109.10110	1.7
113.05983	1.7
116.10737	0.6
117.09093	0.7
119.08572	0.8
130.08603	1.3
131.07036	1.3
131.08603	0.6
135.11652	0.7
144.10196	14.8
145.10114	0.8
162.11263	5.0
218.13872	0.9
222.47467	0.5
223.45068	0.5
236.14928	100.0
237.15297	2.4
262.08832	0.5
269.85452	0.5
285.29980	0.6
287.19202	0.5
313.27484	1.3
369.30179	1.0
412.37790	0.7
439.56155	0.5
456.36908	7.4
474.37921	14.3
475.38821	0.7
478.35513	2.7
496.36215	4.3
621.26660	0.7
640.50159	0.6
734.59271	94.4
735.59589	6.0
752.60632	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.5156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.4
55.05502	9.0
57.03432	14.1
57.07078	31.3
59.05014	12.9
67.05510	23.1
68.99812	2.0
69.07073	6.3
71.08639	25.0
71.48957	2.9
71.49343	2.4
79.05508	12.0
80.39706	2.4
81.03426	55.9
81.07064	19.7
83.04974	3.3
83.08611	20.1
85.10187	14.5
89.06049	4.3
91.05469	14.9
93.07047	10.2
95.04979	17.6
95.08614	20.1
97.02834	3.3
97.06551	2.7
97.10162	5.3
105.07043	12.5
107.04985	3.7
107.08569	3.9
109.10143	9.2
111.08087	4.3
117.09123	2.6
119.08598	9.0
121.10133	5.6
123.11687	5.2
129.07022	5.9
131.08580	3.5
133.10161	3.0
147.11664	8.0
149.09680	3.2
157.10144	8.0
175.11259	7.0
184.07343	5.0
193.12288	24.4
197.97549	2.2
225.05373	2.6
233.71693	2.2
236.14970	5.9
267.15952	100.0
313.27402	97.9
314.27673	4.7
505.38940	89.2
506.39215	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	751.4754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10433	0.8
55.05493	1.0
57.07072	1.3
59.04998	3.3
67.05511	1.6
69.07064	0.8
71.09869	1.2
71.10224	0.8
79.05495	1.1
81.07067	1.6
83.08609	1.0
87.04485	2.4
89.06042	1.9
91.05504	1.0
92.80991	0.7
95.08633	1.1
97.77966	0.7
107.08594	0.9
107.93714	0.7
119.08562	1.0
121.10159	0.8
144.79366	0.9
203.03281	0.7
291.19299	4.8
303.22992	1.3
314.27899	1.0
427.59940	0.7
455.13422	0.8
471.23395	4.5
554.50647	0.8
571.43182	3.6
751.47546	100.0
752.48126	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	752.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.3
59.82147	0.4
65.03947	0.9
67.05495	1.0
69.03434	0.7
69.07068	12.2
69.17737	3.6
70.06576	0.4
79.05488	5.2
81.03410	0.3
81.07049	0.5
81.10660	0.3
83.04958	0.5
84.04498	0.7
85.02898	0.6
86.09763	0.4
91.05480	15.9
95.04980	0.5
97.06532	36.5
98.06835	0.4
105.16540	0.3
107.04924	0.7
109.06512	1.3
119.04945	11.1
121.06481	0.6
130.05019	0.5
131.05002	0.4
135.04407	1.1
136.05200	1.3
137.05978	100.0
138.06293	1.7
147.04434	0.8
149.05997	1.2
161.05968	0.6
163.03896	2.3
169.13519	0.4
173.05994	0.8
180.52292	0.4
189.09041	1.2
215.10687	1.5
233.11723	82.3
234.11993	2.1
250.14392	75.1
251.14778	1.3
504.29208	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.4242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.7
53.86814	0.5
55.01877	0.7
55.05513	1.3
56.87585	0.5
57.03437	1.7
58.06586	0.5
59.05004	0.8
61.02932	4.2
64.98041	0.6
65.03911	0.6
67.05504	4.8
69.03430	2.0
69.07067	1.7
71.04999	1.3
72.66832	0.4
73.02912	4.0
79.05486	3.5
81.03423	6.0
81.07064	3.9
83.05000	0.7
83.08622	0.9
85.02905	4.5
86.09711	1.0
87.04511	0.6
91.03947	2.3
91.05473	5.0
93.07046	4.5
95.04989	1.0
95.08607	3.8
97.02884	3.1
98.21539	1.0
99.04496	0.6
101.02382	1.5
103.03949	0.9
105.07050	2.0
107.08590	1.5
109.02969	0.6
109.06465	0.6
109.10196	2.1
111.08150	0.5
117.07057	0.8
119.08585	3.4
121.06530	1.6
121.10173	1.6
124.53757	0.4
125.00015	0.6
125.09637	0.5
127.03945	0.8
131.08592	1.3
133.10172	0.8
135.11696	0.7
137.09642	0.8
147.08069	1.1
149.09621	0.7
153.09106	0.7
163.03864	0.6
163.58949	0.5
165.09171	2.0
173.13274	0.6
184.07428	2.7
236.15063	1.6
243.08504	1.8
249.18622	1.1
251.20107	0.6
255.12064	3.5
255.34129	0.5
298.70551	0.5
311.14703	0.8
333.15009	0.7
335.25912	1.2
473.20016	10.7
519.29297	4.9
519.36426	0.7
531.08221	0.5
715.49316	0.8
751.42389	100.0
752.43073	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	751.4237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.9
55.01866	0.8
55.05515	2.2
55.44217	0.4
57.03438	2.1
59.04995	0.5
61.02925	5.8
63.36418	0.3
64.36153	0.4
67.05508	5.3
69.03423	3.4
69.07073	0.9
71.01369	0.6
71.04995	1.3
73.02911	4.2
79.05492	6.9
81.03424	2.6
81.07059	4.6
83.04987	0.5
83.08624	1.2
85.02905	5.8
85.93147	0.4
86.09718	0.5
87.04447	0.6
89.06105	0.4
91.03947	3.4
91.05487	3.0
93.07047	5.5
95.04971	0.9
95.08603	3.3
96.85247	0.5
97.02901	4.1
97.06530	0.8
98.21528	1.3
99.04468	0.9
99.08035	0.6
101.02357	2.0
103.03945	0.5
105.07038	2.4
107.08604	1.8
109.02876	0.8
109.10168	1.2
111.53471	0.4
115.03972	0.5
119.08578	1.7
121.10146	3.3
123.11699	0.9
127.03945	1.3
129.07018	0.4
131.08569	1.7
133.10135	1.5
135.11755	0.8
145.10168	0.7
147.11713	1.0
149.09674	0.8
149.13225	0.4
159.11725	0.5
176.04420	0.4
179.96866	0.4
184.07433	1.5
185.04198	0.7
193.12277	0.8
203.05289	0.4
236.14885	0.6
242.44908	0.4
243.08385	2.3
283.06445	0.5
283.15179	5.5
307.22733	0.9
339.17834	0.6
491.26187	8.1
501.23096	5.4
589.37335	0.7
678.99896	0.4
751.42377	100.0
752.42590	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	750.588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.4
55.01847	0.6
55.05510	1.6
56.05035	0.4
57.03442	4.3
57.07082	4.7
57.54398	0.3
58.06607	29.3
59.04983	0.5
59.07391	8.1
60.08169	9.0
62.15474	0.3
65.03905	0.6
67.05510	4.0
69.07067	1.8
69.15027	3.8
70.69568	0.3
71.08638	2.8
73.02892	0.9
75.04485	2.7
79.05508	2.7
81.07058	3.1
83.08634	0.8
84.08127	0.5
85.02893	2.3
85.10156	1.3
87.04480	4.0
91.05502	3.3
92.05838	0.4
93.01965	0.3
93.05463	0.4
93.07046	1.6
95.08614	3.5
97.06494	0.5
97.10135	0.6
98.21528	0.8
99.08080	0.4
99.11681	0.3
100.11239	0.8
102.05524	1.3
105.04488	0.4
105.05486	0.6
105.07031	3.1
107.08568	0.8
109.10122	1.2
113.06010	1.7
117.07003	0.6
119.08577	2.1
129.06970	0.4
129.17650	0.4
130.08612	1.0
131.07045	1.7
131.08601	0.6
133.10098	1.0
133.77312	0.4
143.08548	0.5
144.10211	17.6
145.10205	0.6
159.06497	0.5
159.11673	0.7
162.11264	5.5
171.11630	0.5
200.12834	0.6
218.13931	1.1
236.14952	100.0
237.15331	1.6
313.27457	0.8
369.29932	0.9
380.05371	0.4
412.37827	1.1
432.35037	0.5
456.36816	7.0
457.37314	0.4
474.37943	16.0
475.38348	0.8
476.33719	2.9
494.34775	3.9
638.47943	0.6
699.53308	0.4
732.57788	93.0
733.58038	6.0
750.58350	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.4995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.1
53.20178	2.0
55.01862	5.9
55.05507	19.0
55.07355	1.9
57.03436	12.4
57.07080	41.8
58.06576	2.1
59.05003	12.8
59.05250	2.1
61.02930	5.6
67.05508	34.4
69.07062	17.6
70.13867	5.5
71.01343	4.1
71.04997	5.7
71.08636	32.5
73.02930	2.1
79.05496	29.1
81.03419	24.0
81.06597	2.7
81.07059	36.4
83.01343	2.5
83.04977	12.6
83.08629	17.0
85.02919	11.0
85.06549	3.7
85.10177	15.2
87.04474	14.9
89.06040	5.1
91.03963	2.1
91.05474	21.2
93.07047	24.7
95.04989	9.7
95.08612	27.6
97.02896	8.6
97.06536	8.9
97.10169	7.2
98.21556	2.0
99.04476	3.3
99.08076	2.5
103.05456	2.4
105.07038	16.4
107.04958	23.6
107.08584	16.7
109.02901	2.2
109.06512	11.9
109.10162	10.3
111.04440	27.4
111.08099	4.3
111.11781	2.1
113.05978	3.1
115.27406	1.9
117.07013	13.8
119.08588	14.9
121.06503	8.9
121.10126	12.7
123.08076	7.6
123.11733	3.7
125.05997	7.0
125.09622	3.5
126.59454	1.9
129.07024	4.5
131.08559	8.3
133.10101	2.8
135.08028	4.4
135.11682	15.2
137.09625	2.4
145.10112	22.9
147.08046	7.1
153.12767	10.3
155.08525	4.0
163.11183	33.1
173.09642	9.3
176.11061	2.0
181.12222	4.3
191.10677	13.1
209.11792	12.5
220.96585	2.0
221.22568	2.8
223.13252	25.1
227.12775	7.5
236.14874	4.2
241.14345	38.0
257.24869	2.1
265.14349	12.1
277.38528	2.1
280.69656	2.2
283.15405	27.6
289.40503	2.0
297.17197	2.1
313.27371	100.0
314.27710	4.9
315.14301	3.3
315.18008	57.3
503.37299	11.5
506.80350	2.1
521.38379	94.6
522.38385	6.0
539.38867	2.7
553.40961	65.3
554.41443	5.6
619.33606	2.1
750.45062	7.6
751.47211	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	750.3911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.3
53.48739	1.1
55.01874	3.5
55.05514	2.9
57.03435	3.3
57.07075	2.5
60.74443	1.1
61.02917	2.7
67.05504	8.9
69.03431	14.3
69.07069	12.4
69.31963	4.4
69.32386	4.7
71.05000	9.2
73.02932	2.8
79.05484	4.6
81.03426	14.3
81.07067	9.9
83.08611	4.6
85.02911	37.1
85.06547	96.7
87.00832	15.0
91.03960	1.4
91.05486	4.7
93.07052	11.9
95.04946	1.2
95.08614	13.9
97.02894	13.0
97.06535	14.2
97.10183	2.0
99.04449	4.8
99.08070	1.4
103.07616	1.6
105.01873	16.3
105.07026	16.7
106.06505	1.1
107.04928	1.6
107.08602	14.7
107.52667	1.0
109.02879	13.1
109.10163	25.3
111.08086	3.1
114.09084	1.0
117.01860	1.9
117.06990	1.8
119.08591	22.8
120.95894	1.2
121.09338	1.8
121.10152	24.4
123.04471	1.1
123.11732	7.9
125.09616	5.4
127.03932	21.2
129.06969	1.3
131.08600	6.3
133.10146	20.1
134.38947	1.3
134.73579	1.1
135.11700	10.1
137.05978	3.1
137.09610	2.0
137.13274	1.2
139.11189	1.6
142.93913	1.1
143.08574	1.4
144.09358	1.7
145.04979	7.3
145.10112	12.2
147.11697	15.7
149.09627	1.9
149.13268	5.4
153.12813	1.4
157.10146	4.0
158.11009	1.5
159.02885	4.1
159.11699	22.5
161.13269	26.8
163.03888	1.9
163.11256	1.4
163.14767	3.6
165.12816	2.0
171.11716	4.4
173.13264	21.4
175.03851	1.1
175.14827	10.7
177.12727	2.3
177.16451	1.7
179.14334	4.5
185.13295	2.5
187.14853	12.8
189.03854	1.2
189.16385	3.9
190.64801	1.4
193.15903	2.5
199.14856	4.1
201.16391	10.7
203.17953	4.5
205.15915	1.6
205.22719	1.4
207.17474	2.1
213.03954	2.4
213.16306	6.1
215.17982	2.6
217.15939	3.5
217.19412	2.5
219.17436	13.9
227.17976	4.0
229.19533	29.1
231.04970	7.8
231.17473	2.2
233.19083	2.4
235.20398	1.6
237.18437	2.0
241.19487	1.5
243.21109	2.5
245.18982	3.0
247.20583	15.3
249.05916	3.7
265.21655	2.9
269.22672	24.1
273.14777	1.6
273.29803	1.4
287.23697	71.4
288.24081	2.3
305.24750	72.4
306.25150	2.6
323.25821	100.0
324.26196	3.8
371.25372	1.4
499.26321	1.5
517.27649	2.7
535.28888	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	749.3721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
55.01873	0.7
55.05508	1.5
57.03440	2.0
59.04991	1.1
61.02931	4.9
67.05515	3.3
69.03432	2.7
69.07063	1.9
70.08753	1.1
71.01379	0.6
71.04994	0.6
73.02912	2.9
73.85287	0.4
79.05498	5.2
81.03428	2.6
81.07058	4.1
83.01373	0.5
83.04986	1.1
83.08624	1.0
85.02901	4.9
89.06053	0.6
91.03966	3.0
91.05489	4.8
93.07052	3.9
95.04982	1.0
95.08614	2.5
97.02886	4.9
97.06571	0.9
99.04464	0.7
100.69518	0.4
101.02376	1.7
103.03957	0.7
105.07032	1.9
107.04966	0.5
107.08587	2.4
109.02940	0.8
109.06535	0.8
109.10174	0.6
117.05571	0.4
117.07026	2.4
119.08595	1.7
121.10172	1.3
123.08056	0.5
125.09691	0.5
127.03915	0.9
129.06958	0.6
133.08629	1.2
133.10158	0.9
135.08084	3.1
135.11688	0.5
137.09592	0.6
145.10144	1.4
147.11673	0.4
163.11195	0.8
171.11868	0.4
185.04263	0.6
200.20161	0.4
243.08412	2.4
259.08017	0.4
263.17624	1.2
270.12100	0.4
277.10413	0.4
281.18890	0.5
301.08997	0.5
303.06873	0.5
305.17523	0.5
333.07809	0.4
333.20419	1.1
355.22516	0.4
411.16415	0.8
439.15781	5.0
467.18915	2.2
523.25256	2.3
551.28687	1.8
651.30121	0.6
731.35175	0.7
749.37103	100.0
750.37592	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	749.4085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.2
55.05506	2.1
57.03438	3.1
58.42721	0.5
59.05003	4.1
61.02923	5.5
63.63387	0.5
64.69386	0.6
67.05504	5.3
69.03434	5.3
69.07072	1.3
70.10824	2.1
73.02918	5.6
76.39892	0.7
79.05493	6.7
81.03435	3.7
81.07057	4.9
83.08616	1.2
85.02914	5.3
86.09719	1.8
87.04445	0.6
89.06026	0.9
91.03983	2.9
91.05482	4.3
93.07043	6.3
95.05003	1.4
95.08598	4.5
97.02894	4.9
99.04469	1.3
101.02409	1.9
101.19434	0.6
105.07024	3.9
107.08624	2.5
109.02927	0.8
109.06554	0.7
109.10189	1.4
111.04456	0.9
117.07027	1.3
119.08611	2.0
121.10154	3.5
125.00030	1.0
127.03897	1.5
129.07053	1.3
131.08583	1.5
133.10176	1.4
135.11732	1.1
145.10147	2.0
147.11710	0.7
159.11746	0.6
160.72505	0.5
161.13345	0.6
163.11246	1.6
184.07347	5.1
185.04201	0.8
212.72980	0.7
223.13455	0.7
224.56522	0.7
236.14922	1.0
243.08522	1.9
281.13614	5.8
307.22675	1.2
376.20270	0.7
397.12589	1.1
415.13995	0.7
491.26157	9.1
499.21228	3.0
749.40826	100.0
750.41125	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	750.3911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.3
53.48739	1.1
55.01874	3.5
55.05514	2.9
57.03435	3.3
57.07075	2.5
60.74443	1.1
61.02917	2.7
67.05504	8.9
69.03431	14.3
69.07069	12.4
69.31963	4.4
69.32386	4.7
71.05000	9.2
73.02932	2.8
79.05484	4.6
81.03426	14.3
81.07067	9.9
83.08611	4.6
85.02911	37.1
85.06547	96.7
87.00832	15.0
91.03960	1.4
91.05486	4.7
93.07052	11.9
95.04946	1.2
95.08614	13.9
97.02894	13.0
97.06535	14.2
97.10183	2.0
99.04449	4.8
99.08070	1.4
103.07616	1.6
105.01873	16.3
105.07026	16.7
106.06505	1.1
107.04928	1.6
107.08602	14.7
107.52667	1.0
109.02879	13.1
109.10163	25.3
111.08086	3.1
114.09084	1.0
117.01860	1.9
117.06990	1.8
119.08591	22.8
120.95894	1.2
121.09338	1.8
121.10152	24.4
123.04471	1.1
123.11732	7.9
125.09616	5.4
127.03932	21.2
129.06969	1.3
131.08600	6.3
133.10146	20.1
134.38947	1.3
134.73579	1.1
135.11700	10.1
137.05978	3.1
137.09610	2.0
137.13274	1.2
139.11189	1.6
142.93913	1.1
143.08574	1.4
144.09358	1.7
145.04979	7.3
145.10112	12.2
147.11697	15.7
149.09627	1.9
149.13268	5.4
153.12813	1.4
157.10146	4.0
158.11009	1.5
159.02885	4.1
159.11699	22.5
161.13269	26.8
163.03888	1.9
163.11256	1.4
163.14767	3.6
165.12816	2.0
171.11716	4.4
173.13264	21.4
175.03851	1.1
175.14827	10.7
177.12727	2.3
177.16451	1.7
179.14334	4.5
185.13295	2.5
187.14853	12.8
189.03854	1.2
189.16385	3.9
190.64801	1.4
193.15903	2.5
199.14856	4.1
201.16391	10.7
203.17953	4.5
205.15915	1.6
205.22719	1.4
207.17474	2.1
213.03954	2.4
213.16306	6.1
215.17982	2.6
217.15939	3.5
217.19412	2.5
219.17436	13.9
227.17976	4.0
229.19533	29.1
231.04970	7.8
231.17473	2.2
233.19083	2.4
235.20398	1.6
237.18437	2.0
241.19487	1.5
243.21109	2.5
245.18982	3.0
247.20583	15.3
249.05916	3.7
265.21655	2.9
269.22672	24.1
273.14777	1.6
273.29803	1.4
287.23697	71.4
288.24081	2.3
305.24750	72.4
306.25150	2.6
323.25821	100.0
324.26196	3.8
371.25372	1.4
499.26321	1.5
517.27649	2.7
535.28888	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	748.5724
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04873	0.6
55.01844	0.8
55.05483	2.8
57.03448	4.9
57.07086	4.0
58.06604	37.2
59.04983	1.2
59.07385	10.0
59.43357	0.6
60.05640	0.7
60.08168	9.9
67.05511	4.5
69.07032	2.6
71.08632	4.0
71.49998	0.9
73.02898	1.0
75.04480	3.1
79.05494	3.9
79.18806	0.6
81.07051	5.4
83.08581	1.7
84.08118	2.3
85.02866	2.0
85.07652	2.3
85.10172	1.5
87.04475	3.4
89.06029	0.7
90.08211	0.6
91.05477	3.4
93.07043	3.9
95.04950	0.9
95.08617	4.8
97.06531	1.1
97.10117	0.8
99.08085	0.8
101.05944	0.7
102.05502	0.8
105.07006	2.4
107.08571	2.4
109.10143	1.8
113.05991	1.5
117.07002	1.2
119.08549	2.1
129.06990	0.7
130.08655	0.6
131.07037	1.7
131.08540	0.8
133.10101	1.0
135.11777	0.8
143.08557	0.9
144.09160	1.2
144.10207	15.4
162.11278	6.5
196.87921	0.8
200.12915	0.9
218.13910	1.5
236.14944	100.0
237.15257	1.5
257.30676	0.6
269.88159	0.7
275.20184	0.8
456.36810	6.3
474.31885	1.2
474.38058	16.1
492.33139	2.6
510.34119	4.8
632.64557	0.8
636.47137	1.4
637.46661	0.8
708.10211	0.7
748.57245	98.8
749.57428	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	748.456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02351	1.5
53.03948	12.0
55.01871	3.2
55.05511	39.1
57.03423	4.9
57.07080	20.1
58.06588	3.6
59.04993	6.5
59.99108	7.9
65.03915	1.8
67.05503	56.2
69.03085	2.7
69.03434	40.0
69.07068	52.3
71.04977	7.6
71.08643	9.8
71.49240	2.3
71.49628	2.1
72.08147	3.7
73.02885	2.0
73.06553	16.7
77.03896	1.7
79.05490	29.8
81.03419	75.2
81.07053	62.6
82.48570	1.5
82.49062	1.5
83.04977	3.0
83.08620	38.5
85.02904	32.9
85.06544	3.4
85.10159	4.9
86.06055	5.1
87.04469	2.5
89.06031	3.4
91.05477	8.9
93.07040	32.7
95.04986	4.5
95.08606	55.0
96.17503	1.5
97.02890	50.6
97.06512	6.9
97.10169	27.9
99.04462	11.9
99.08047	3.0
102.03734	2.3
103.04000	1.7
105.07027	7.6
106.06555	100.0
107.08584	17.9
107.90939	1.6
109.02882	33.9
109.10155	30.3
110.10471	1.9
111.04440	3.7
111.08045	2.5
111.11712	9.7
112.98056	1.8
115.08652	2.9
117.06979	2.8
119.08560	5.7
121.10149	32.2
123.11710	6.8
125.09567	2.4
125.13249	1.8
127.03921	37.1
129.05441	2.5
129.06921	2.0
131.08563	3.0
132.04802	15.2
133.10123	4.1
134.05966	8.6
135.11685	25.4
137.13226	2.1
139.11172	2.5
143.08572	2.3
145.05093	20.2
145.10103	3.5
149.13266	11.0
151.14775	4.4
153.12785	3.4
157.13379	13.2
163.14792	4.7
165.16435	2.0
171.11639	2.1
171.44196	1.9
175.05383	2.9
177.16521	2.1
181.15878	1.9
191.11755	4.1
208.05403	5.1
217.10091	17.7
236.14932	12.3
247.24200	14.8
250.10016	7.6
263.23654	4.6
265.25262	57.4
265.62085	1.9
266.25641	3.1
279.26804	1.7
280.11139	7.0
280.45950	1.6
283.26364	5.6
295.26373	1.7
301.21277	1.6
305.24756	5.1
307.26407	3.7
319.26199	2.2
323.25876	4.8
331.26328	3.3
345.27698	5.3
349.27393	4.6
355.26398	4.8
361.27267	2.3
373.27390	33.8
391.28439	41.7
391.33456	2.5
409.29501	97.9
410.29813	4.9
427.30554	28.9
474.37830	1.9
516.88232	2.1
643.39703	11.6
651.76538	1.7
674.84076	1.7
722.58490	1.8
730.55615	6.4
748.45673	8.5
748.56854	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	748.448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	7.5
53.54874	1.0
55.01880	6.5
55.05516	49.7
57.03445	21.5
57.07092	2.1
59.05006	5.5
61.02929	6.0
65.03938	3.8
67.05509	100.0
69.03436	6.5
69.07071	17.1
70.54089	1.6
70.54427	3.5
71.01360	2.5
71.04999	4.5
71.08640	2.3
73.02912	3.5
73.61193	1.5
79.05496	81.9
80.05827	1.7
81.03428	12.2
81.07062	66.5
83.04989	6.6
83.07557	1.5
83.08621	18.7
85.02914	19.6
85.06552	3.6
86.09721	2.6
87.04475	5.3
91.03960	2.8
91.05487	39.9
93.07050	67.4
94.07333	1.7
95.05010	8.1
95.08609	39.8
97.02929	6.3
97.06555	5.8
97.10178	21.6
99.08099	3.0
103.03967	2.2
105.04553	2.9
105.07037	21.6
105.07702	1.9
106.05972	1.3
106.06578	7.7
106.07235	1.8
107.04945	4.0
107.08600	29.0
109.02899	1.7
109.06519	2.4
109.10165	51.7
111.04455	1.9
111.08088	3.9
113.09706	1.3
115.05439	1.8
117.07037	13.1
119.08584	21.3
120.23483	1.4
121.06549	2.5
121.10157	35.5
123.08106	4.2
123.11708	4.8
125.09642	20.3
127.03922	4.1
129.07037	4.3
131.08569	17.3
133.10135	15.5
135.08064	4.4
135.11705	20.2
137.09624	4.6
139.11200	2.3
142.07808	1.5
143.08531	1.9
143.10707	4.1
145.10133	14.0
147.11684	8.5
149.09637	5.4
149.13255	7.2
151.11198	2.6
153.09123	2.0
153.12743	1.5
155.08521	1.9
155.10689	2.7
157.10126	2.9
159.11705	8.0
161.09691	1.8
161.13312	2.7
163.11201	8.3
167.10712	2.2
169.10104	2.3
171.11728	3.7
173.09555	1.6
173.11754	10.3
173.13298	6.7
175.11087	1.5
177.12697	2.4
181.12306	1.4
184.07372	9.9
185.13310	1.6
187.14767	2.3
189.12823	1.6
193.12267	2.9
199.13307	9.4
205.19565	1.6
209.11743	3.9
209.99397	1.5
213.16422	2.0
215.17958	12.9
217.14421	1.5
227.12767	7.9
229.14340	37.7
231.17473	2.3
233.18964	11.2
245.13840	2.1
247.17090	1.9
267.15976	2.8
271.20425	1.8
283.15286	2.5
299.14902	2.5
300.15298	1.6
301.16443	15.7
307.22690	71.9
308.23077	4.1
319.17825	1.8
449.32825	9.5
461.32550	12.5
515.34180	2.4
533.34601	7.0
551.35608	4.5
552.88019	1.3
633.85486	1.7
748.37488	2.7
749.39746	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.0
55.01871	3.5
55.05508	14.7
55.90305	1.2
57.03437	12.5
57.07057	1.8
58.06603	1.5
59.04992	1.4
60.08173	1.3
61.02919	2.6
65.03938	2.2
67.05508	46.7
69.03422	2.0
69.07070	53.1
71.01363	1.6
71.04993	3.4
73.02892	1.6
73.06551	2.7
79.05495	44.8
81.03431	13.8
81.07057	100.0
83.04985	3.0
83.08628	7.4
85.02915	14.9
86.09700	4.3
89.06020	3.0
91.05482	27.8
93.06483	2.4
93.07046	33.1
93.07635	1.7
95.04936	6.0
95.08611	29.2
97.02874	2.7
97.06522	13.4
97.10187	1.3
98.20676	2.3
99.08081	2.8
103.03928	2.6
103.05505	1.2
105.07033	15.1
107.04939	1.5
107.08590	20.7
109.06506	3.9
109.10168	10.9
111.08076	3.7
115.07578	9.5
117.07039	9.8
119.08601	11.9
121.06511	3.9
121.10153	11.5
123.08072	3.4
123.11707	3.1
125.00024	2.9
125.09631	3.0
127.07533	7.8
129.07030	2.7
131.08574	11.0
133.10155	8.2
135.08063	12.0
135.11671	8.0
137.09612	4.0
137.13287	1.4
139.07541	2.6
143.07025	1.8
143.08554	1.8
145.08618	2.9
145.10124	10.3
147.08017	1.6
147.11674	7.2
149.09589	1.6
149.13237	4.2
153.09116	2.8
155.08455	1.3
157.10141	2.9
159.11688	4.7
161.13266	4.6
163.07571	6.8
163.11186	1.5
163.14830	1.8
165.09135	3.3
169.10197	1.5
171.10121	1.9
171.11737	1.9
171.91443	1.3
173.13290	4.6
175.09689	2.3
177.07826	2.3
181.08646	2.4
183.11624	2.2
184.07341	14.8
187.14749	1.7
191.14189	1.3
199.09656	8.3
199.14714	1.6
201.11208	25.7
201.12892	2.2
211.14925	1.5
213.11243	1.4
217.10611	1.7
236.14980	2.4
239.12767	4.4
241.19580	1.6
243.21065	3.2
261.22211	6.9
273.13327	13.6
277.21643	1.9
291.14490	2.8
309.24289	1.6
315.23065	1.5
317.24857	1.4
335.25806	48.3
369.71332	1.4
461.32571	5.7
497.32709	1.7
515.33667	4.1
533.34943	5.8
551.35626	1.6
577.15778	1.3
749.40051	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	748.4479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.5
55.01868	3.1
55.05513	12.7
57.03440	12.3
57.07077	3.3
59.05001	1.9
61.02935	3.9
65.03951	1.6
67.05509	43.0
69.03438	2.5
69.07073	46.4
71.01355	1.7
71.04996	3.5
71.08632	2.6
71.49480	0.8
73.02910	1.8
73.06554	3.6
74.27041	0.6
79.05500	41.6
81.03430	9.6
81.07061	100.0
82.07399	1.1
83.04984	2.3
83.08622	5.6
85.02911	10.1
85.06550	2.4
85.10184	1.8
86.09716	2.9
87.04471	2.1
89.06038	12.2
91.03985	1.0
91.05486	20.6
92.05824	0.6
93.07050	28.9
94.07405	0.7
95.04969	4.8
95.08614	27.0
97.02896	3.5
97.06529	12.1
97.10177	2.2
99.08094	4.6
101.68008	0.6
103.03964	1.7
103.05453	1.4
105.04527	1.7
105.07040	17.8
105.94239	0.6
106.07369	0.9
107.04974	1.4
107.08598	19.2
109.06545	3.0
109.10176	12.6
111.08092	3.0
113.09644	0.9
113.60752	0.6
115.05509	1.1
115.07566	6.4
117.07038	8.0
117.09165	1.5
119.08587	11.6
121.06531	1.8
121.10150	11.4
123.08081	2.5
123.11686	3.8
125.00050	1.8
125.05981	0.9
125.09676	2.0
127.07568	7.9
128.06264	0.8
129.05551	0.9
129.07036	2.8
131.07050	1.4
131.08568	8.1
133.08609	6.2
133.10135	7.4
133.38107	0.7
135.08058	9.8
135.11678	7.4
135.46774	0.6
137.06013	1.1
137.09636	2.3
137.13289	1.1
139.07518	1.0
139.11197	1.1
141.16423	0.6
143.07089	2.1
143.08591	1.7
145.08609	3.6
145.10109	5.9
147.08110	0.9
147.11687	5.3
149.09547	0.9
149.13271	4.9
153.09142	2.2
155.08504	0.8
157.08667	0.7
157.10150	1.0
159.11696	4.9
161.13252	3.6
163.07536	5.0
163.11218	1.6
163.14850	2.2
165.09187	2.5
169.10234	0.8
171.10187	2.7
171.11765	2.0
173.13303	3.7
175.09712	0.8
175.14905	1.5
177.11252	2.4
177.12704	0.9
177.16475	0.9
181.08638	2.0
181.10132	0.7
183.10289	0.7
184.07358	7.5
185.13324	1.2
185.19073	0.7
187.14813	1.7
189.16670	0.7
195.11742	0.7
199.09581	5.1
199.14859	0.7
201.11235	29.3
201.13121	1.5
201.16490	0.9
217.10709	0.8
221.13663	0.7
229.21487	0.8
239.12808	3.7
243.21179	2.2
249.12717	1.1
255.12274	1.1
259.20734	1.6
261.22171	7.1
273.13312	8.9
273.24390	0.6
277.21713	1.4
289.21835	1.2
291.14401	1.6
299.14938	1.9
327.23172	0.9
335.25815	48.0
336.26266	1.8
337.26935	0.8
356.07419	0.7
363.25516	1.4
408.35312	0.7
419.28357	1.0
423.29529	0.8
431.31750	0.8
461.32785	4.9
515.33905	2.4
519.60657	0.7
527.28601	0.6
533.34875	3.8
551.35889	1.5
683.63043	0.8
706.05957	0.7
749.41144	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.4327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
55.01862	1.4
57.03201	0.5
57.03442	6.7
59.05004	100.0
61.02916	1.1
67.05498	0.5
68.86031	0.3
68.99788	1.3
69.03435	4.8
69.22835	1.1
69.23260	2.3
71.04977	0.9
73.02897	1.0
73.66721	0.4
77.29924	0.4
79.05479	0.7
81.02996	0.5
81.03426	7.0
81.07047	0.8
83.04971	0.5
85.02910	11.6
87.00839	5.3
87.04444	0.7
93.07056	0.5
95.04979	0.5
97.02896	4.4
97.06517	1.2
99.04463	2.3
99.08094	1.3
100.07646	0.5
101.09679	1.8
105.01880	3.4
105.07001	0.4
109.02890	5.1
109.10174	0.6
115.07560	3.1
117.01859	1.0
117.09138	42.2
122.09614	0.7
127.03922	8.7
127.08703	0.6
129.01813	1.0
135.10188	0.6
137.05969	0.6
145.04980	5.8
146.05257	0.4
159.02911	3.1
159.13840	0.4
167.07083	0.9
175.13307	23.9
177.14812	0.4
193.14388	0.9
213.03838	0.6
231.04953	2.5
233.17493	9.5
249.06094	0.6
251.18547	2.7
289.09253	0.7
291.21637	2.5
306.34433	0.4
309.22830	2.1
349.25900	0.8
377.62036	0.4
482.21347	0.4
483.35379	6.9
740.17505	0.4
748.41309	0.4
754.08966	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.442
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67358	1.0
53.03953	2.4
55.01875	1.1
55.05517	7.2
57.03436	3.5
57.07081	1.6
59.04996	3.2
65.03938	1.1
66.46707	1.0
67.05514	14.3
69.03436	1.8
69.07072	3.5
70.93881	1.1
70.94209	1.9
71.04982	1.3
71.08617	1.0
73.02929	1.3
73.06555	2.1
75.80757	0.9
77.03918	1.4
79.05492	17.9
81.03412	3.2
81.07061	12.8
83.05007	1.6
83.08624	2.6
85.02918	2.3
86.09735	2.2
87.04481	12.5
89.06039	78.8
91.05489	10.2
93.07048	10.5
95.04972	3.1
95.08611	7.1
97.10152	2.7
103.05480	14.6
105.07040	100.0
106.07370	1.2
107.04964	1.6
107.08606	4.1
109.10165	5.7
117.07026	4.2
117.09169	1.4
119.08577	3.4
121.06495	1.6
121.10156	7.6
123.11726	1.0
124.99976	2.3
125.09648	4.0
129.06979	3.4
130.08612	1.3
131.07033	5.9
131.08556	6.0
133.08617	56.4
133.10173	3.0
135.07988	1.9
135.11694	3.0
137.05965	1.2
143.08675	1.7
145.06462	1.8
145.10168	3.1
149.13306	1.2
157.10121	1.1
159.11746	1.8
163.11163	1.1
171.08043	1.7
173.11876	1.4
175.09679	2.8
177.11230	15.1
184.07388	8.1
207.11700	1.5
209.28415	0.9
215.17883	2.2
220.08711	1.1
220.99646	1.1
221.09573	1.1
221.13800	3.9
223.11172	6.8
227.12657	1.8
229.14403	4.6
233.19232	1.4
249.12752	15.4
251.14314	2.2
301.16177	5.6
307.22778	8.8
309.19046	1.8
327.17432	14.2
335.25897	3.9
371.20108	1.8
405.22174	27.0
406.22540	1.8
417.22232	1.1
459.25519	1.2
461.32706	1.5
475.25934	1.7
503.27588	1.5
505.28104	9.2
515.33801	1.5
533.34753	2.8
609.34167	32.2
610.34546	1.6
713.40369	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	746.5199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.2
55.05517	3.2
57.58114	1.0
59.04997	5.0
65.03951	1.1
67.05505	26.9
69.07063	4.6
69.90691	6.0
79.05491	14.1
81.07059	25.6
83.08611	5.4
85.06551	2.2
87.53722	1.0
89.03893	1.1
89.06054	1.7
91.05488	5.5
93.07053	14.2
95.08607	24.2
97.06525	4.3
97.10153	2.7
98.20789	2.2
99.08094	3.0
105.07013	7.6
107.04961	1.4
107.08611	8.9
109.10165	11.7
111.08066	5.7
117.03384	1.5
119.08579	4.8
121.10146	27.8
123.11706	7.6
131.08533	1.9
132.43369	1.0
133.10130	11.2
135.04449	3.8
135.11690	24.1
137.09662	3.2
137.13235	3.1
139.11214	1.6
145.02853	3.1
145.10103	1.8
147.11743	2.5
149.09726	1.5
149.13254	5.3
151.11134	2.4
159.11818	1.2
161.13258	1.3
163.03912	30.7
173.13301	1.6
175.14865	1.2
181.04961	5.7
187.14923	1.4
215.17960	16.5
217.19548	5.0
233.19040	8.6
235.20596	24.4
251.20070	100.0
252.20331	3.0
253.21605	7.5
254.21941	1.1
269.21121	25.4
299.06131	1.1
485.93500	1.3
673.90930	1.2
718.51184	1.3
723.65076	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.5203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.6
55.01865	0.8
55.05510	8.6
57.03428	1.4
57.07066	1.2
58.06585	0.9
59.05000	4.2
65.03949	1.4
67.05505	53.4
69.03423	0.7
69.07065	9.5
69.43267	4.3
71.04993	1.4
71.08614	0.6
77.03933	0.8
79.05492	20.5
79.05956	0.7
81.07058	59.4
83.04953	2.0
83.08158	1.0
83.08620	13.4
85.06525	2.6
87.04478	1.1
89.03903	2.4
89.06005	1.4
91.05483	14.0
93.07043	28.2
95.04955	1.6
95.08608	54.8
96.08888	0.6
97.05933	0.6
97.06535	9.5
97.10176	5.2
99.08084	2.3
101.06011	0.9
104.72358	0.6
105.07030	6.9
107.04960	0.8
107.07884	1.0
107.08595	16.1
109.06500	1.1
109.10156	22.1
111.08087	11.0
115.28819	0.6
117.03382	3.8
117.07001	1.7
117.09151	0.8
119.08585	7.8
121.10146	33.1
123.08062	0.9
123.11707	9.0
125.09601	2.2
131.08582	4.1
133.10127	17.1
135.04436	10.0
135.11690	22.8
137.09601	2.7
137.13242	4.6
139.11194	1.5
145.02847	7.2
145.10106	4.7
147.11678	5.0
149.13255	15.0
151.11198	4.1
151.14775	1.3
155.10670	0.7
159.11668	3.5
161.13255	1.2
163.03903	50.5
163.11250	0.7
163.14839	6.1
167.14267	0.7
169.12234	1.3
173.13284	2.7
175.14784	1.3
177.12733	0.6
181.04913	5.6
187.14850	2.0
189.16370	1.0
191.17976	0.6
195.13849	1.2
215.17958	15.7
216.18535	0.5
226.03545	0.7
233.18999	11.9
235.20590	0.7
236.14984	3.0
245.22675	3.9
251.20064	100.0
252.20340	1.9
261.22061	0.7
263.23718	27.6
264.23969	0.7
269.21097	24.7
279.23236	5.1
281.24728	7.2
281.27542	0.9
284.15738	0.7
297.24072	0.7
336.26389	0.6
339.28732	0.8
487.13333	0.6
520.99341	0.6
566.66510	0.6
584.43646	1.1
611.64246	0.8
638.00513	0.8
646.54108	0.7
746.54883	2.2
747.43347	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.5208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.8
55.05527	16.3
57.03439	7.3
57.07081	3.3
59.05007	28.8
59.39951	3.0
67.05512	45.1
69.07070	14.2
69.24730	7.4
69.25143	20.2
71.04984	2.9
71.08617	7.2
79.05499	41.2
81.03416	11.1
81.07063	48.3
82.07409	3.8
83.04987	7.2
83.08620	13.6
85.02870	2.8
85.06541	4.1
85.13511	2.8
89.06020	9.8
91.05486	26.8
93.07049	35.8
95.04946	10.5
95.08627	41.4
97.06540	7.3
97.10182	4.9
99.08080	5.1
105.07040	21.8
107.08597	15.8
109.10160	21.1
111.08089	7.5
117.07021	14.6
117.09072	4.8
118.30438	3.0
119.08576	12.8
121.10141	34.9
123.08085	4.9
123.11747	5.4
129.07005	5.0
131.08565	12.0
133.08574	4.7
133.10143	20.8
135.04434	4.3
135.08043	4.9
135.11703	31.6
137.09624	5.8
140.45612	3.0
141.06967	4.2
143.08600	4.7
145.10115	9.9
147.08025	3.7
147.11661	5.6
149.09547	3.7
149.13240	10.7
151.11113	3.6
153.06842	3.0
157.10089	6.4
159.11723	4.2
161.09581	3.7
161.13297	3.2
163.03938	36.0
169.10077	4.6
171.11624	4.7
173.13217	3.0
175.14867	3.9
180.39075	2.9
185.13329	5.4
193.12459	3.6
199.14818	3.9
201.62726	3.3
211.13324	4.5
215.17937	10.0
217.19508	5.0
233.19008	13.0
235.20570	23.9
251.20085	100.0
253.21843	6.6
267.15863	2.9
269.21176	33.4
285.17062	8.0
293.17358	3.1
307.22913	3.8
313.27612	2.9
339.28888	5.3
487.62936	3.5
549.41309	10.3
584.43573	7.5
746.43671	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	746.4686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.5
55.01868	2.6
55.05510	9.7
57.03435	10.8
57.07064	2.5
65.03951	2.5
67.05509	39.3
69.03436	2.8
69.07066	11.7
71.04982	3.3
71.08584	1.3
79.05499	27.6
81.03423	100.0
81.07059	34.0
83.04968	3.7
83.08621	4.4
85.02914	2.0
85.06535	1.4
86.09716	2.3
87.04465	1.2
89.06044	2.9
91.05487	33.5
93.06487	2.4
93.07053	33.2
95.04974	6.9
95.08611	34.2
97.02926	1.8
97.06521	4.6
97.10191	2.1
104.63233	1.1
104.88448	1.1
105.07032	10.8
107.04948	2.5
107.08588	15.7
109.06538	2.7
109.10159	13.0
117.07027	5.8
119.08592	27.8
121.06509	6.6
121.10169	14.8
123.04430	1.7
123.08086	4.4
123.11674	3.3
125.05975	1.6
129.06992	3.1
131.08553	9.6
132.59889	1.2
133.06433	1.3
133.08679	1.5
133.10114	7.5
135.08072	2.9
135.11745	7.8
137.09610	18.5
137.13292	1.5
143.07066	3.0
143.08554	3.3
145.10109	7.1
147.08070	5.8
147.11703	5.6
149.09601	2.2
149.13254	3.7
155.08621	1.3
157.10097	2.2
159.11732	5.9
160.75165	1.4
161.09573	1.7
161.13239	4.2
163.07613	2.0
163.14761	2.2
165.09126	19.7
169.10107	1.9
171.11681	4.5
173.13240	3.3
175.03439	1.3
175.14883	2.2
179.14365	1.5
183.11694	1.5
184.07350	7.0
187.14865	2.3
189.16454	1.4
197.13258	2.1
199.09647	2.8
201.16426	1.2
219.14000	1.4
222.55322	1.3
227.20079	9.3
236.14977	1.4
239.12793	57.0
240.13002	2.2
243.21111	2.8
261.22147	8.7
271.15378	1.4
276.73813	1.2
279.23453	1.3
292.95456	1.2
301.25238	2.5
317.24796	2.2
335.25833	48.5
336.26056	3.2
389.28497	1.9
397.30817	1.5
401.26755	1.7
407.29425	5.2
425.30499	6.7
443.31125	1.6
481.32663	1.7
499.27173	2.4
499.34225	40.6
500.34698	2.9
515.64838	1.3
517.27521	1.5
517.35266	30.5
518.35339	1.8
531.36530	3.6
549.37982	1.7
718.23065	1.5
746.47272	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.4682
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02686	1.9
53.03939	7.2
55.01863	8.3
55.05514	28.7
57.03439	23.2
57.07076	4.2
61.02916	2.9
65.03931	3.3
67.05506	82.9
69.03425	5.9
69.07069	17.4
69.83925	9.3
71.01353	2.7
71.04987	5.8
79.05499	73.2
80.85457	2.0
81.03423	94.6
81.07059	71.5
83.04973	8.7
83.08625	24.6
85.02858	2.8
85.06537	6.3
86.09698	4.3
87.04458	3.8
89.06029	2.2
91.05486	48.7
93.07049	74.5
95.04974	33.5
95.08606	43.6
97.02910	4.9
97.06522	7.1
97.10163	8.2
99.08083	4.8
105.04458	2.8
105.06396	3.4
105.07037	37.9
107.04942	9.0
107.08596	32.8
109.06523	8.2
109.10148	17.1
111.04436	3.5
111.08092	7.4
115.05416	3.1
117.07011	12.7
119.04929	2.2
119.08595	30.3
121.06512	4.5
121.10144	33.9
123.08060	8.0
123.11700	6.4
124.99994	2.1
125.09617	6.3
129.07021	9.8
131.08571	28.7
133.06502	4.7
133.10126	27.0
135.08040	5.0
135.11699	29.1
137.09595	3.3
142.07733	4.0
143.08556	4.1
145.10150	20.9
147.08043	4.6
147.11720	16.3
149.09586	7.0
149.13257	13.2
157.10115	11.3
159.11710	12.3
161.13206	3.4
163.11165	5.5
167.19568	1.9
169.10120	3.4
171.11649	5.0
173.13248	7.3
175.11205	10.6
175.14888	3.5
184.07320	12.0
185.13208	2.7
189.11249	5.9
193.12259	21.4
199.14816	2.7
211.13254	2.7
211.15115	2.3
215.17970	28.6
227.12714	4.5
233.19038	24.7
244.93320	2.3
249.14703	2.3
261.22021	3.6
267.15924	100.0
268.16187	4.0
271.11853	11.2
273.22018	2.6
307.22693	89.4
308.22980	3.0
309.16910	3.7
335.25806	9.9
407.29193	5.2
425.30569	6.1
443.31277	2.5
499.34195	56.6
500.34183	2.8
508.50183	2.4
517.35266	35.5
518.35767	2.2
541.35541	2.7
708.58264	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	746.4408
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.8
55.01852	2.9
55.05513	21.4
56.58367	0.9
57.03208	0.8
57.03440	7.5
57.07079	7.4
59.05007	30.3
59.99117	7.8
60.05322	1.2
61.02919	1.7
64.42747	0.9
65.03924	3.4
67.05508	78.9
69.03437	30.7
69.07072	23.1
70.50335	0.8
71.04987	6.3
71.08620	2.8
71.26862	1.6
71.27216	1.1
72.08141	3.0
73.02897	1.5
73.06554	13.8
75.68036	1.1
77.03894	1.8
79.05497	31.9
81.02943	1.9
81.03423	58.6
81.07059	83.9
83.04969	4.8
83.08627	15.5
85.02907	20.5
85.06530	2.9
85.07652	1.4
85.10171	2.1
86.06059	7.8
87.04448	1.9
89.06023	2.3
91.05487	20.8
93.07046	30.4
95.04961	4.5
95.08611	62.5
97.02312	2.3
97.02898	31.3
97.06539	5.0
97.10178	9.5
99.04452	8.3
99.08084	3.6
101.06017	1.4
102.99667	1.9
103.03943	2.0
105.04473	1.9
105.07037	16.0
106.06560	100.0
107.06956	1.2
107.08593	15.5
109.02885	22.8
109.06516	1.6
109.10160	29.7
111.04468	4.8
111.08077	3.4
111.11680	2.7
113.09641	2.7
115.08710	2.0
116.07059	1.2
117.06990	3.4
117.09133	7.8
119.08587	11.0
121.06506	2.8
121.10149	16.0
123.04427	1.3
123.08036	1.6
123.11720	10.8
125.09638	1.6
127.03931	16.4
127.11170	1.6
129.05457	1.9
129.06998	2.3
131.08586	6.0
132.04796	14.5
133.06476	1.2
133.10129	13.2
134.05997	8.1
135.07965	1.9
135.11688	11.3
137.13222	6.6
139.11194	1.3
143.08586	2.8
145.04099	2.4
145.04962	6.8
145.10092	3.8
147.08080	1.0
147.11678	7.0
149.09712	1.4
149.13260	8.8
151.11162	1.4
151.14812	3.3
153.12711	1.3
157.10100	1.9
157.13377	14.0
159.11639	4.0
161.12064	1.3
161.13266	7.4
163.11194	1.2
163.14792	5.0
165.12801	2.2
165.16336	2.2
169.10143	1.8
171.08052	1.1
171.11656	1.7
173.09569	0.9
173.13246	3.6
175.05339	3.0
175.13329	2.4
175.14809	6.4
177.12694	1.9
177.16461	2.1
179.14330	1.5
179.17953	1.7
183.11722	1.1
187.14813	2.2
189.16350	3.8
191.11771	3.6
193.15799	1.8
195.13770	1.7
199.14864	1.6
201.16391	2.4
203.14313	1.0
205.15791	1.8
207.17462	1.1
208.05437	6.7
211.14917	1.3
215.25656	1.0
217.10062	16.5
235.16989	1.1
243.21043	2.9
245.22655	11.6
248.89719	1.1
250.10092	6.4
259.16953	1.5
261.22263	7.1
263.23715	30.9
273.22076	1.4
275.23651	1.6
277.14301	2.3
277.24820	1.0
279.23227	5.3
280.11157	4.9
285.22125	1.2
291.23141	4.1
293.24924	5.6
295.15494	2.1
299.23599	1.6
303.23267	4.7
305.24786	7.0
317.24673	3.5
321.24179	4.2
325.25339	1.3
329.24728	4.3
343.26270	5.3
347.25729	2.9
353.24713	8.8
361.27325	2.0
371.25854	23.7
389.26828	22.3
407.27936	41.5
408.27994	1.2
425.28995	11.2
581.41113	1.6
641.38464	6.9
746.44232	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	746.4321
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88591	2.5
53.03942	7.2
55.01870	7.9
55.05517	19.2
56.48725	2.4
57.03440	23.3
57.07059	3.9
59.05000	3.3
60.08162	2.7
61.02921	9.0
65.03937	4.1
67.05507	81.9
68.05851	3.0
69.03423	6.4
69.07076	28.9
71.01366	11.6
71.04987	3.7
71.08672	2.2
71.48793	3.4
73.02908	3.5
79.05497	95.4
81.03430	13.3
81.07059	84.3
83.04974	5.6
83.08625	11.3
85.02905	9.9
85.06538	5.2
86.09717	6.3
87.04492	5.1
89.06037	3.2
91.03967	3.1
91.05485	59.3
93.07048	65.2
93.92445	2.2
95.04959	14.3
95.08614	65.5
97.02888	4.8
97.06525	13.5
97.10168	4.4
99.04509	2.5
99.08109	5.1
103.05480	3.0
105.04568	2.9
105.07031	64.1
106.06629	2.9
106.07398	2.8
107.04916	3.1
107.08610	32.5
109.06512	7.1
109.10154	30.9
111.08068	4.4
115.05451	4.3
117.07018	9.4
119.05005	2.5
119.08585	15.1
121.10139	22.7
123.08092	14.6
123.11728	12.2
124.99973	4.4
125.05996	7.1
125.09647	2.5
126.99016	2.2
127.03903	2.5
128.06227	3.1
129.07004	3.9
131.08574	17.6
133.06491	9.5
133.10135	47.7
135.08058	3.0
135.11685	24.7
137.05978	4.2
137.09599	2.8
143.07042	4.6
143.08572	4.7
145.10120	12.5
147.11676	9.2
149.09561	2.4
149.13274	11.8
151.07568	6.7
151.11206	18.8
157.10172	2.9
159.11679	11.0
161.09634	9.8
161.13213	5.8
163.14824	5.8
169.12311	3.2
173.13242	6.5
179.07083	5.6
179.10744	4.9
184.07378	14.3
187.14787	2.9
197.08139	6.9
215.12833	11.8
215.17986	10.7
233.18958	13.7
243.21170	9.0
253.14333	9.9
259.20554	2.6
261.22095	20.7
271.11777	100.0
289.21826	2.6
299.14951	6.8
307.22678	66.9
317.15921	39.4
317.24570	3.8
325.38379	2.3
333.24405	2.1
335.25809	80.3
358.43033	2.2
485.32703	2.7
503.33432	4.5
513.32098	4.3
531.33032	20.2
549.34192	26.0
746.38116	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4883
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.9
55.01870	4.9
55.05513	27.9
57.03437	15.3
57.07063	7.0
59.05003	6.0
61.02932	14.0
61.87330	2.3
65.03931	5.1
65.39563	2.5
67.05508	80.0
69.03417	10.6
69.07070	21.4
69.23349	4.0
69.23755	19.1
71.04997	5.7
73.02916	6.3
79.05492	100.0
81.03411	9.3
81.07058	72.7
83.04984	6.0
83.08602	11.9
85.02938	15.2
85.06530	5.0
91.03936	5.1
91.05480	73.0
93.07040	84.0
95.04961	13.5
95.08607	52.3
97.02885	16.1
97.06550	6.3
97.10179	5.6
99.08082	7.2
103.05483	2.8
105.07030	67.5
107.08598	38.3
109.06497	5.7
109.10160	20.9
114.04718	2.1
117.07015	22.9
119.08582	57.5
121.06470	3.1
121.10149	39.4
123.08086	4.0
123.11726	7.6
125.09655	3.3
127.03948	3.7
128.06230	3.8
129.07011	17.1
130.07750	3.6
131.08574	37.8
133.06459	2.8
133.10126	47.0
135.11685	25.8
137.09612	4.3
141.06958	4.2
143.08575	17.2
145.10138	37.3
147.11697	39.3
149.09575	4.5
149.13264	15.0
155.08554	6.2
157.10156	18.4
159.06590	2.7
159.11688	26.0
161.09607	3.6
161.13268	21.5
163.11140	3.3
163.14845	4.9
165.09149	3.0
167.08591	3.6
169.10165	8.6
171.11711	22.1
173.13283	17.4
175.11226	3.0
175.14818	14.5
180.09435	2.7
181.10156	5.2
183.11691	8.7
185.13223	16.2
187.11145	3.6
187.14810	8.0
195.11691	3.3
197.13271	7.8
199.14876	9.6
203.14264	3.1
209.13277	3.4
211.14853	3.3
213.16383	10.2
215.17984	9.1
231.17439	9.0
231.21060	4.8
233.19006	4.7
239.17889	4.0
241.19524	22.7
243.20969	3.0
257.18954	8.3
259.20593	36.8
261.04022	2.6
261.22290	5.9
271.20663	3.0
305.21136	6.0
307.22672	77.0
319.22772	2.6
325.21503	4.0
333.24219	26.9
335.25705	7.7
349.21741	2.6
363.25903	3.4
367.22571	3.2
375.25909	3.1
385.23624	3.8
403.24753	2.8
407.89087	2.9
491.38766	3.8
565.42456	7.3
581.42316	5.8
583.43549	82.0
584.44299	3.8
673.44690	4.0
691.44763	3.7
709.46222	5.4
727.46539	7.0
737.48413	2.7
745.48145	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	746.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.0
55.01883	6.0
55.05516	24.8
57.03439	13.9
57.07066	4.2
57.74441	1.0
59.05001	2.1
61.02931	5.7
65.03938	3.4
67.05510	53.8
69.03440	5.7
69.07067	11.5
69.33064	6.7
69.33475	2.2
71.01358	13.2
71.04991	4.9
73.02906	4.5
77.03952	1.5
79.05498	57.3
81.03401	5.4
81.07059	48.5
83.04993	5.6
83.08628	12.1
85.02914	5.7
85.06544	4.0
86.09708	3.2
91.03944	2.2
91.05486	34.5
91.06029	2.3
92.05846	1.8
93.07047	51.3
93.68711	1.2
95.04969	5.0
95.08611	29.5
97.02914	5.6
97.06538	4.4
97.10169	9.1
99.04472	3.1
99.08102	3.0
101.05991	1.2
103.05453	1.2
105.07036	24.1
105.07703	1.9
107.04943	2.6
107.08600	24.8
109.02861	2.1
109.06528	4.4
109.10164	20.4
111.08102	2.8
113.09634	1.3
115.05464	1.9
117.07014	11.1
119.08588	14.2
121.06532	2.1
121.10157	24.9
123.04390	1.5
123.08058	2.6
123.11715	7.5
125.00035	1.3
125.09647	7.2
127.03951	1.8
128.06253	2.5
129.07025	1.9
131.08569	12.4
133.06532	1.4
133.10129	15.8
133.11086	1.3
135.08078	5.4
135.11702	21.7
137.09608	3.0
139.11118	1.5
143.08553	2.0
145.10118	8.9
147.08040	1.4
147.11734	4.9
149.02313	1.9
149.09628	2.7
149.13254	10.9
151.11235	3.4
153.09126	3.5
157.10019	1.4
159.11693	8.0
161.09663	2.3
161.13351	1.2
163.11215	2.7
167.10645	1.3
168.13918	1.3
171.10219	1.2
171.11661	2.0
173.13326	6.2
175.14906	1.5
184.07370	11.4
185.13213	1.3
187.14809	2.4
189.09050	1.6
189.11310	1.3
193.05013	1.1
205.19609	3.0
207.10123	1.4
213.16341	1.5
215.17947	30.9
225.11244	12.0
227.12776	2.5
233.19012	30.5
233.21248	1.8
243.12302	1.8
275.20282	1.2
299.14908	100.0
300.15237	2.5
300.28751	1.2
304.96414	1.1
307.22681	84.8
308.23123	1.7
378.57077	1.3
438.18427	1.9
513.32288	2.2
531.33191	41.1
532.33722	3.0
549.34277	2.5
746.38171	38.6
747.38489	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	745.4886
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	6.2
53.48764	3.2
55.01885	5.5
55.05508	24.7
57.03448	17.0
57.07066	6.0
59.05011	26.3
61.02930	17.2
65.03932	4.4
67.05511	63.7
69.03419	12.9
69.07063	18.6
69.52114	10.9
69.52543	10.5
71.04979	6.0
71.08617	4.6
73.02905	9.4
79.05505	48.3
81.03412	6.8
81.07065	57.7
83.04964	6.6
83.08615	10.6
85.02912	17.8
85.06522	5.4
87.04462	5.7
91.03960	8.5
91.04967	5.0
91.05485	43.8
93.07057	51.8
95.04971	6.9
95.08607	57.9
97.02896	11.4
97.06518	10.9
97.10198	3.6
98.21439	5.6
99.04430	4.8
101.06023	6.0
103.07578	5.4
104.59461	3.4
105.07043	42.1
107.04938	4.7
107.08603	27.7
109.10178	27.6
115.05421	3.7
117.07051	18.9
117.09142	5.9
119.08604	40.5
121.06480	4.1
121.10167	34.1
121.26600	3.4
123.11700	4.2
128.06226	4.6
128.67184	3.3
129.07018	16.0
131.08582	28.8
133.10136	47.8
135.08032	3.6
135.11694	22.0
142.07803	3.8
143.08565	18.7
145.10143	26.6
147.11703	23.9
149.13271	9.8
155.08545	6.9
157.10164	20.9
159.11731	21.5
161.09637	5.4
161.13240	6.6
163.03920	6.0
167.08607	7.0
169.10115	9.5
171.11674	19.2
173.13301	12.3
181.10039	3.8
183.11716	10.0
185.13216	12.6
187.14812	10.2
189.16513	4.6
195.11713	6.3
197.13257	6.9
201.16402	3.7
203.18019	7.6
209.13229	4.8
211.14784	3.8
213.16362	26.1
214.98820	3.1
215.17975	9.1
216.67845	3.1
223.14833	3.1
231.17450	19.7
245.19067	3.6
251.20229	16.5
269.21048	3.6
275.35489	3.2
278.73392	3.8
280.74963	3.1
285.18399	3.6
305.21292	3.7
307.22598	3.9
335.25781	19.7
361.16736	3.4
491.38681	7.2
565.42517	6.6
583.43634	100.0
584.43848	6.6
691.45453	4.4
709.46918	4.1
745.47223	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	745.4882
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	10.2
55.01874	4.2
55.05512	24.6
57.03442	16.0
57.07061	8.4
59.02339	1.8
59.04991	7.5
60.05634	6.5
61.01075	2.0
61.02925	14.2
65.03924	5.9
67.05508	84.2
69.03421	8.3
69.07069	21.3
71.04986	6.4
71.49549	2.4
73.02902	7.6
77.03909	3.1
79.05496	91.5
81.03426	10.5
81.06596	4.0
81.07057	72.5
83.04972	4.7
83.08621	14.4
85.02910	17.3
85.06551	4.3
85.10173	2.1
85.74563	1.9
87.04450	2.4
89.06021	3.4
91.03944	7.7
91.05484	69.2
93.07047	100.0
93.07643	4.9
95.04986	10.8
95.08610	54.4
97.02917	13.7
97.06521	6.0
97.10154	4.0
99.08089	3.8
103.05429	2.5
105.04505	3.1
105.07034	62.4
107.04970	2.5
107.08598	39.2
109.02875	3.1
109.06519	4.4
109.10156	22.3
111.08125	4.7
117.07029	23.4
117.45946	1.8
119.08579	53.5
121.06510	2.3
121.09344	3.3
121.10151	51.6
123.08048	4.4
123.11713	11.8
127.03912	4.1
127.63592	1.9
127.64539	2.2
128.06276	4.9
129.05508	2.2
129.06998	21.6
131.08577	34.7
133.06519	2.1
133.10136	46.1
135.08063	4.1
135.11711	24.0
137.09595	3.8
141.06955	3.2
142.07654	2.7
143.08562	16.9
145.10127	33.2
147.08035	3.3
147.11693	36.5
149.09630	7.0
149.13307	14.9
155.08543	5.4
157.10114	19.9
159.11682	24.9
161.09567	2.1
161.13258	19.8
163.11157	4.1
163.14836	4.6
164.42210	2.0
167.08450	2.7
169.10150	9.6
171.11681	19.5
173.13257	15.8
175.11179	3.0
175.14772	10.6
177.12712	2.9
183.11682	7.0
185.13216	13.4
187.11130	3.2
187.14781	8.6
189.16495	3.2
195.11734	3.1
197.13219	8.5
199.11171	3.4
199.14824	7.5
201.16339	3.5
203.17978	2.9
209.13228	4.9
211.14812	3.8
213.12863	2.3
213.16411	10.4
215.17953	10.8
217.19267	1.9
225.16451	3.0
227.17906	2.3
229.19643	2.6
231.17441	9.1
231.20958	4.8
233.19096	4.9
236.14873	4.6
239.17978	4.3
241.19453	17.0
253.19284	2.6
257.19077	5.3
259.18060	3.3
259.20535	36.8
261.22247	3.8
271.20520	5.0
301.21661	2.4
305.21072	5.7
307.22687	71.2
308.22934	3.6
309.24265	2.3
313.21600	3.0
313.27414	4.1
314.27615	4.1
333.24313	29.1
335.25851	7.0
339.23157	2.3
343.22476	2.4
351.25629	2.9
353.28409	2.5
367.22537	2.4
385.24014	3.8
393.27121	2.9
403.24658	2.9
428.69302	1.9
477.27817	2.1
491.38788	5.6
548.40259	3.1
565.42059	7.5
581.41888	5.2
583.43585	84.8
584.43585	6.0
595.43536	3.4
673.43835	5.3
691.45642	3.9
709.46729	4.2
727.48938	3.1
745.49457	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	744.4521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.5
55.01871	6.9
55.05513	15.9
57.03185	1.6
57.03434	15.9
57.07075	3.1
59.04989	4.5
61.02914	4.5
63.99189	1.1
65.03926	5.1
67.05503	58.1
69.03438	6.2
69.07069	15.8
69.97558	4.9
71.01340	3.1
71.04980	4.7
73.02907	4.6
77.16289	1.2
79.05492	74.0
81.03414	49.1
81.07055	61.5
83.01355	1.8
83.04966	4.6
83.08614	5.6
85.02906	9.1
85.06528	2.6
86.09726	1.5
87.04398	1.2
89.06017	3.1
91.03957	2.0
91.05482	62.7
92.05791	1.9
93.07041	57.5
95.04961	9.1
95.08603	35.8
97.02888	6.0
97.06530	12.5
97.10156	3.4
101.59885	1.3
103.05455	1.6
105.07029	24.9
107.04937	7.2
107.08595	52.2
108.08894	1.3
109.06513	11.3
109.10162	16.1
111.04438	12.5
111.08080	4.2
115.05460	6.2
117.07012	39.4
119.04936	1.3
119.08577	17.8
121.06500	7.2
121.10145	16.5
123.08063	3.0
123.11655	3.6
125.05971	1.9
125.09639	5.9
129.06995	2.9
131.08568	10.3
133.10132	8.8
135.08051	100.0
135.11693	9.0
137.05940	3.6
137.09604	3.4
143.08548	2.8
145.06482	2.9
145.10124	6.9
147.08028	2.2
147.11670	5.2
149.09601	4.8
149.13239	5.4
151.11168	1.5
153.09084	8.5
157.10124	3.2
159.11687	4.0
161.08156	1.4
161.09569	1.3
161.13251	4.9
163.07538	61.1
163.14821	3.4
165.09001	1.3
167.10689	7.3
169.10031	2.3
171.11690	3.6
173.13324	6.4
175.14848	1.6
181.08595	16.6
181.10069	2.2
183.11795	2.2
184.07314	3.2
187.14702	1.8
189.12738	1.3
194.12576	1.2
195.10175	15.3
195.11731	2.3
195.58025	1.2
199.09622	3.5
211.90361	1.2
213.11186	2.9
237.11201	5.6
239.12790	2.1
243.21004	1.9
255.12244	11.7
259.20444	1.9
261.22104	10.0
269.13812	3.4
286.17319	1.4
287.14883	50.6
288.15176	1.7
299.23563	2.6
317.24884	2.0
335.25790	80.7
336.26044	5.0
337.26419	1.4
337.58313	1.3
387.26794	1.7
405.27771	5.2
423.28986	5.7
452.69220	1.3
497.32602	15.0
515.33698	45.8
516.33795	3.7
529.35205	2.5
547.36292	44.3
582.42346	3.9
606.95325	1.6
733.65088	1.5
742.32208	1.5
744.45831	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	744.4521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.1
55.01875	9.6
55.05512	24.6
57.03439	17.3
57.07058	4.3
58.58819	1.0
58.90903	1.3
59.04990	3.8
60.64537	1.0
61.02914	3.5
65.03925	3.9
66.49970	1.0
67.05507	66.1
69.03414	4.1
69.07069	13.2
69.93525	4.2
71.01341	3.0
71.04999	6.1
71.08614	1.3
79.05493	74.4
81.03418	27.4
81.07057	64.3
82.07389	1.3
83.01342	2.3
83.04982	15.3
83.08623	11.2
85.02903	11.4
85.06531	5.4
86.09673	1.3
87.04473	1.4
89.06017	3.3
91.03969	1.3
91.04900	2.0
91.05482	40.9
92.05772	1.6
93.07043	77.4
95.04970	13.5
95.08607	40.3
96.08918	1.5
97.02903	10.2
97.06536	11.3
97.10152	4.1
99.04453	2.8
99.08083	3.4
103.05444	2.0
105.04512	2.6
105.07031	25.2
107.04954	18.0
107.08596	31.1
109.02895	1.9
109.06528	9.2
109.10159	17.2
111.04445	24.3
111.08063	3.8
113.06004	1.7
115.05411	1.9
117.07026	18.0
119.08581	22.8
121.06517	8.7
121.10146	37.9
123.04418	2.2
123.08091	7.5
123.11723	5.0
125.06025	7.4
125.09624	4.2
128.06235	1.5
129.07004	5.3
130.07767	1.6
131.04932	1.8
131.08589	16.2
133.08580	1.7
133.10146	13.4
135.08069	7.6
135.10709	2.0
135.11691	31.7
137.09599	3.3
137.13223	1.5
139.07504	2.0
139.11197	1.5
143.08499	3.1
145.06451	2.3
145.10120	26.6
147.08043	6.1
147.11676	9.0
149.09604	6.0
149.13258	6.7
151.11156	1.8
153.12766	10.8
155.08553	2.7
157.10135	1.4
159.11728	6.4
161.09676	2.1
161.13335	2.2
163.07527	1.9
163.11179	30.5
164.11459	1.0
165.09120	1.1
171.11578	1.4
173.09633	6.9
173.13248	3.7
177.11232	1.1
177.12775	2.4
181.12248	5.2
184.07446	5.6
185.13156	1.3
187.14790	2.0
189.11159	1.3
191.10664	8.6
193.12294	1.4
197.13322	1.1
209.11690	11.1
215.17926	10.8
223.13309	19.8
227.12685	8.3
233.19012	11.4
241.14351	27.2
253.19315	1.1
265.14337	7.3
267.15982	2.4
271.20581	2.6
276.80276	1.0
283.15411	21.5
289.21646	1.7
297.16736	1.7
307.22678	100.0
308.22989	2.5
315.18036	45.1
316.18442	1.8
335.25754	2.8
356.11917	1.4
405.27853	1.4
423.28677	3.3
441.30136	1.4
462.30502	1.0
497.32751	10.2
515.33740	60.5
516.34216	3.7
519.48273	1.2
529.35211	1.4
533.35028	1.6
547.36322	92.7
548.36377	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.3
55.01867	3.6
55.05512	19.6
57.03439	5.2
57.07063	2.4
59.04985	2.1
59.99112	7.8
61.02916	0.6
65.03934	3.6
67.05506	60.0
68.99799	0.6
69.03430	27.5
69.07067	15.5
70.74605	1.7
71.01355	0.8
71.04992	6.5
72.08148	3.2
73.02914	2.0
73.06555	14.6
77.03918	1.5
78.04722	0.7
79.05495	51.8
80.05833	0.7
81.03421	51.9
81.07056	58.7
82.03757	0.7
83.04986	6.0
83.08619	7.7
85.02908	23.0
85.04013	0.7
85.06538	2.6
85.07047	0.5
85.07664	2.5
86.06075	8.1
87.04436	1.0
91.05482	34.0
93.07047	58.0
95.04980	6.2
95.08609	42.3
96.08934	0.8
97.02892	27.8
97.06516	3.7
97.10165	3.3
99.04459	7.6
99.08084	2.0
100.07650	0.6
102.00124	1.2
102.03776	1.5
102.99642	1.8
103.03916	0.6
103.05499	0.7
105.04523	2.7
105.07034	25.8
106.06557	100.0
107.04971	2.2
107.06937	1.2
107.08596	29.8
109.02885	16.7
109.06529	3.1
109.10159	19.9
111.04472	4.8
111.08085	2.2
111.11731	1.0
115.03989	1.4
115.05457	1.9
115.08678	3.5
116.06224	0.7
116.07080	0.8
117.07019	12.5
119.08586	20.3
121.06495	1.9
121.10146	28.4
123.04458	0.6
123.08073	2.8
123.11709	9.9
125.05951	0.7
125.09621	1.5
127.03910	12.3
127.07594	0.7
128.06258	1.1
129.05484	2.2
129.06969	4.7
131.08568	18.9
132.04794	13.6
132.05717	1.0
133.06509	1.5
133.10130	14.9
134.06023	7.8
135.08096	2.0
135.11702	19.0
137.05974	0.8
137.09636	1.4
137.13240	2.9
139.11215	1.2
141.06897	1.3
142.07831	1.0
143.08586	3.7
145.04234	3.4
145.05031	4.0
145.06517	1.2
145.09033	0.5
145.10112	15.8
147.08102	1.9
147.11708	10.0
149.05969	0.6
149.09625	2.4
149.13277	11.7
151.07561	1.3
151.11197	1.2
153.12746	0.7
155.08566	2.6
157.10165	4.6
157.13351	10.6
159.08028	1.0
159.11693	12.0
161.09634	1.5
161.13257	8.1
163.11198	1.8
163.14804	6.1
165.06935	0.7
165.09126	1.0
165.12753	1.4
167.08528	0.9
167.14337	0.9
169.10159	2.5
171.08090	1.0
171.11662	4.5
173.09650	1.3
173.13278	9.8
175.05392	1.9
175.11205	1.2
175.14845	3.4
177.12767	2.3
177.16455	1.8
179.14333	1.7
181.10139	1.2
183.11711	2.8
185.09663	1.1
185.13280	4.4
187.11195	1.1
187.14885	5.3
189.12787	1.6
189.16348	0.8
191.11884	3.8
191.14301	1.2
193.15866	0.8
195.11700	1.3
195.13947	0.8
197.13333	1.8
199.11237	0.9
199.14854	2.9
200.21721	0.8
201.12854	1.3
201.16412	2.3
203.10709	0.9
203.14236	0.9
205.12285	0.7
205.15820	1.4
207.13826	0.7
208.05415	5.7
209.13324	1.2
211.14893	2.1
213.12749	1.9
213.16454	1.2
217.10071	16.9
217.12155	0.9
217.15923	0.7
219.13869	0.8
219.17471	1.0
223.14845	1.3
225.12804	0.7
227.14384	1.4
229.15854	0.8
231.17432	1.0
233.15459	0.8
233.22705	1.0
235.13214	0.8
239.14444	1.0
241.19583	2.4
241.94122	0.6
243.21075	6.7
243.23436	0.8
247.17120	0.7
249.14732	1.1
250.10083	5.1
253.14412	0.9
259.13403	0.9
259.20602	5.5
261.22137	25.4
262.22571	1.4
267.20822	0.6
271.17053	1.0
271.20642	1.5
273.22174	2.3
275.20016	0.9
277.14365	1.3
277.21600	5.7
279.23245	2.2
280.11172	6.1
283.20660	1.2
285.22311	2.0
287.23828	0.9
289.21573	1.9
291.23105	3.7
295.15546	1.0
295.20853	0.8
297.22137	1.3
299.16647	0.8
301.21625	4.0
303.23166	8.0
303.26321	0.7
305.17737	0.6
305.24689	0.9
313.21695	1.3
315.23227	3.5
317.17596	1.2
317.21017	1.0
319.22702	1.6
323.23538	0.7
327.23245	3.0
331.22675	1.2
341.24792	3.4
343.22641	0.9
345.24295	2.0
351.23129	6.5
357.24289	1.2
359.25882	1.4
369.24246	15.2
387.25290	16.9
388.25922	0.8
405.26340	23.2
423.27454	9.4
507.34229	0.7
554.31677	1.3
579.39771	1.7
583.43604	1.6
639.36646	6.4
744.42780	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	744.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.9
54.35101	2.0
55.01870	20.3
55.05516	27.0
57.03436	28.5
57.07083	2.5
59.04996	3.4
61.02930	9.7
65.03927	5.4
67.05508	58.6
69.03436	11.0
69.07072	36.7
70.67461	3.8
71.01343	3.6
71.04987	7.1
73.02928	3.0
79.05495	100.0
81.03429	23.1
81.07057	61.4
83.01343	10.3
83.04981	17.6
83.08633	16.5
85.02905	13.8
85.06529	3.3
91.05487	100.0
93.07045	80.7
95.04982	16.0
95.08611	29.7
97.02892	9.1
97.06531	21.3
97.10161	11.6
99.04468	4.2
99.08090	2.6
103.05465	3.2
105.04526	2.8
105.07032	45.8
107.04954	15.8
107.08602	56.3
109.02905	4.2
109.06513	11.3
109.10161	11.9
111.04436	4.1
111.08089	5.0
115.05444	10.6
117.07018	63.9
119.08578	28.0
121.06501	6.0
121.10137	26.8
123.08064	12.8
123.11697	3.6
125.06023	2.8
125.09637	11.9
127.03886	6.2
129.05516	3.5
129.06964	9.9
130.07884	3.0
131.08563	23.3
133.06453	2.4
133.10124	24.5
135.08061	64.7
135.11693	16.1
137.06006	2.2
137.09621	6.1
139.11247	2.7
141.07001	3.0
143.07054	8.0
143.08556	6.1
145.10143	29.1
147.08046	3.3
147.11674	11.2
149.09601	21.6
149.13251	6.6
151.11188	4.1
153.09169	5.0
157.10146	4.2
159.08121	2.3
159.11748	14.4
161.09572	2.8
161.13292	2.8
163.07556	7.7
163.11188	23.1
165.09149	2.4
167.08484	2.3
169.10152	7.0
171.11696	4.3
173.04475	2.1
173.09593	3.5
173.13264	4.2
175.11244	4.1
181.08553	3.3
181.12250	4.6
183.11722	4.1
184.07379	1.9
185.13240	3.3
187.11189	4.4
187.14807	2.9
189.11206	5.5
189.20479	1.9
191.10594	2.4
195.13881	2.7
199.09616	17.1
201.16418	5.6
209.11749	3.9
211.14803	3.7
213.16415	4.4
227.12770	20.2
229.15872	10.3
231.17543	5.5
233.15166	1.9
241.14331	15.3
247.16954	13.2
255.12280	65.1
255.15340	3.5
255.16000	3.3
257.18967	6.1
269.17630	9.3
275.19998	19.9
283.15411	45.4
299.14731	4.3
305.21100	3.2
321.20590	17.1
331.22784	2.1
349.23788	17.6
409.22070	3.0
425.21753	6.4
433.26035	3.2
435.23831	17.0
449.25391	71.3
450.25772	3.5
489.28323	2.5
511.30768	4.1
529.31628	36.5
547.32391	10.4
569.02588	2.0
598.89850	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	13.5
55.01870	8.4
55.05508	32.4
57.03442	16.4
57.07069	9.9
59.04986	10.3
61.02919	5.4
62.24961	2.9
65.03933	7.5
65.67319	2.7
67.05507	100.0
69.03091	3.0
69.03432	33.8
69.07065	36.7
71.04990	11.1
71.08616	3.3
71.23392	5.2
73.02929	5.9
77.03941	4.5
79.05496	97.1
80.27765	2.7
81.03426	43.9
81.06596	4.7
81.07061	78.7
83.04972	14.0
83.08642	16.2
85.02917	14.5
87.04475	3.7
91.05484	70.4
93.07046	95.7
93.10665	2.4
95.04990	17.8
95.08610	58.3
95.09184	4.5
97.02888	16.2
97.06520	13.0
97.10169	7.7
99.04457	7.3
99.08086	4.6
103.05449	3.5
105.07029	63.0
107.04989	5.7
107.08591	40.4
109.02911	12.0
109.06532	11.2
109.10159	42.5
111.04420	3.4
111.08092	6.2
113.05932	2.2
115.05459	4.7
117.07017	33.2
119.08588	49.3
121.06521	8.1
121.10153	43.1
123.08047	6.9
123.11710	8.4
125.09629	8.0
127.03909	9.7
128.06238	6.5
129.05518	4.5
129.06996	12.6
130.07796	3.3
131.08571	34.5
133.06497	6.2
133.10135	35.2
135.08049	7.2
135.11685	19.8
137.09642	7.5
141.07007	7.3
143.08549	16.1
145.06496	5.8
145.10141	31.2
147.08002	4.6
147.11691	22.4
149.09631	12.4
149.13264	7.4
151.07512	3.2
151.11223	5.4
155.08540	9.9
157.06461	3.0
157.10129	15.0
159.11710	25.0
161.09663	3.8
161.13264	8.1
163.11197	10.3
165.07022	4.0
165.12694	4.5
169.10126	17.3
171.11691	17.1
173.04434	5.4
173.09692	5.5
173.11858	5.4
173.13275	13.6
175.11133	4.2
175.14841	2.8
177.12805	4.0
179.14397	3.6
181.10138	3.4
183.11687	7.7
185.09604	3.5
185.13310	7.4
187.11143	4.1
187.14851	4.8
195.11766	3.0
197.13284	8.4
199.14780	3.2
207.11690	2.9
211.14821	2.9
213.16370	4.4
215.18022	5.5
229.19521	5.6
231.17401	3.5
233.19014	4.3
236.14897	3.4
239.17981	11.2
247.20601	6.8
257.18985	22.0
275.17035	4.7
275.20068	77.5
276.20264	3.6
293.21194	3.8
307.22662	49.9
331.22675	6.5
335.25940	4.1
337.21552	3.0
341.21313	2.8
349.23792	16.6
355.22470	2.9
367.24573	4.0
401.23318	3.1
419.24332	4.0
461.32196	5.2
489.35873	8.1
493.28061	4.6
547.40173	5.2
579.40253	3.2
581.42072	61.0
599.42633	4.0
707.44916	4.0
725.46686	3.4
743.46893	31.0
744.45972	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	743.4731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.8
55.01867	2.6
55.05510	10.8
55.44059	0.9
57.03438	9.6
57.07066	3.1
59.04987	2.4
61.02925	14.6
65.03931	1.9
67.05505	28.0
68.05848	1.4
69.03433	10.3
69.07066	12.5
69.87532	0.9
71.01373	1.5
71.04985	1.9
71.08623	1.3
71.49083	1.2
73.02924	9.3
77.03922	1.1
79.05492	19.8
80.05844	2.0
80.19643	1.0
81.03419	11.1
81.06592	1.6
81.07054	28.0
81.08085	1.0
82.07368	1.5
83.04967	3.8
83.08613	6.7
85.02909	14.7
85.06524	1.4
89.06033	2.9
91.03953	6.5
91.05479	18.2
92.05807	1.1
93.07041	20.2
94.07380	2.0
95.04955	5.2
95.08607	19.9
97.02896	12.8
97.06526	3.6
97.10165	2.9
99.04534	1.3
101.02394	1.8
101.05987	1.4
105.04530	1.0
105.07028	17.7
107.04952	3.0
107.08589	11.8
109.02882	1.3
109.06504	1.9
109.10155	9.1
111.04416	1.1
111.08073	1.5
115.05486	2.2
116.06217	1.0
117.07032	8.2
119.07803	1.5
119.08585	14.1
121.10139	9.1
123.08072	2.0
123.11695	2.9
125.09638	1.3
127.03908	2.8
128.06230	2.6
129.05490	1.4
129.07025	9.7
131.08553	11.2
132.08899	1.3
133.10146	9.2
134.10458	1.0
135.08063	1.9
135.11673	5.5
137.06042	0.9
137.09570	1.7
141.06967	4.9
142.07753	2.8
143.08546	8.6
145.10136	11.2
147.11678	6.5
148.12039	1.1
149.09634	2.0
149.13290	1.8
151.11208	1.1
155.08553	7.2
157.10120	12.6
159.11685	9.4
161.13263	4.2
163.14883	1.1
165.09030	1.0
166.07858	1.4
167.08574	4.1
168.09439	1.2
169.10136	12.4
171.11676	7.7
171.53311	1.0
173.13286	5.3
175.11169	1.3
175.14809	1.2
177.07791	1.0
179.08656	1.4
181.10130	4.9
182.10866	1.3
183.11676	11.4
185.09650	1.0
185.13272	5.5
187.14856	2.9
193.10342	2.0
193.12234	4.4
194.10954	1.0
194.12624	2.1
195.11685	5.2
197.13281	7.4
199.14882	4.6
207.11671	3.3
209.13223	6.2
211.13161	5.4
211.15010	5.3
212.13678	1.8
213.16431	2.2
219.11655	1.7
221.13191	2.8
223.14844	2.7
225.16422	4.9
227.17876	2.2
233.13347	1.5
235.14885	2.7
237.16460	2.7
239.17966	2.7
247.14801	1.2
249.16435	1.4
251.17986	1.4
253.19630	1.0
257.19000	1.1
261.22079	1.9
265.19775	1.2
267.15851	1.5
275.20169	1.3
279.21085	1.1
285.16809	5.5
286.17392	3.6
309.22263	1.3
321.22247	1.4
323.23901	1.3
335.25833	10.3
336.26196	10.2
339.23090	1.5
373.24985	1.0
375.26675	0.9
377.28720	0.9
471.36118	2.1
485.32886	1.2
489.37442	5.9
497.32410	1.2
507.38394	3.7
511.33954	1.4
513.35730	1.7
528.37305	2.0
545.38422	2.9
546.38788	14.9
563.40875	6.0
564.41229	1.1
581.42017	100.0
582.42548	5.7
725.46008	1.3
743.44250	35.5
744.45776	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2025
Annotation	Quercetin 3-(2R-apiosylrutinoside)
Peak:m/z	Relative Intensity
52.04883	0.3
57.03428	2.4
58.59949	0.2
59.86998	0.2
60.47285	0.2
61.02920	0.4
68.99789	0.5
69.03435	2.4
69.95005	1.2
70.47087	0.2
71.01351	0.2
71.04995	7.3
73.02940	2.0
75.04470	0.6
81.03417	0.5
83.04996	1.3
84.63603	0.3
85.02909	12.8
87.04465	0.4
95.04959	0.4
97.02895	3.4
98.20847	0.4
104.33421	0.3
109.02850	0.6
111.00836	0.4
111.03718	0.2
111.04442	1.3
115.03927	1.2
121.02887	0.4
121.22999	0.3
123.04368	0.3
127.03908	0.8
129.05501	3.3
137.02353	2.2
145.04951	0.3
147.06512	1.4
149.02405	0.4
153.01793	2.0
159.06110	0.3
163.04031	0.4
165.01909	1.6
171.06578	0.3
183.02916	0.4
189.96376	0.3
201.05478	1.1
219.06479	0.3
225.07597	0.7
229.04984	2.7
236.83090	0.3
247.06102	0.5
257.04559	1.8
274.04749	0.6
285.03970	0.9
303.05002	100.0
304.05441	2.5
345.06042	0.8
369.06155	0.4
465.10239	2.1
591.28357	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24284	2.0
53.03931	8.5
55.01869	6.0
55.05510	26.3
57.03435	19.1
57.07059	3.8
58.06594	2.9
59.04995	3.7
59.59262	2.2
61.02914	6.5
65.03915	3.8
67.05505	81.0
69.03439	4.5
69.07079	15.5
71.04977	6.4
73.02896	2.9
79.05495	65.4
81.03419	65.0
81.07058	73.6
83.04986	13.4
83.08624	27.0
85.02908	29.7
85.06542	4.0
86.09722	3.3
86.73797	2.2
91.05482	55.9
93.06488	3.5
93.07049	50.1
95.04965	26.8
95.08612	44.7
95.42984	2.4
97.02882	6.4
97.06503	6.0
97.10170	5.5
99.04463	2.8
99.08084	2.6
103.05452	2.7
105.07032	39.4
107.04951	6.6
107.08601	20.6
109.06516	6.7
109.10155	19.0
111.04413	3.8
111.08065	8.8
117.06992	5.9
119.08575	31.2
121.06573	2.3
121.10144	21.7
123.08060	4.1
123.11689	6.1
125.09603	4.1
128.06187	2.0
129.05467	2.8
129.07005	12.8
131.08545	20.2
133.06537	4.0
133.10136	26.8
135.08032	3.5
135.11702	13.4
137.05937	2.7
137.09569	2.7
138.88754	2.7
142.07771	5.3
143.08504	3.2
145.10123	10.1
147.08014	4.1
147.11690	16.1
149.09653	6.4
149.13278	5.8
157.10139	15.7
159.11716	4.6
161.09550	3.0
161.13187	2.8
173.13300	3.1
175.11186	13.8
177.07896	13.2
178.08200	9.2
179.10686	3.0
184.07373	11.1
193.12241	52.5
201.16479	3.2
211.13286	78.1
215.17937	2.2
227.12650	2.5
236.14861	7.0
237.49319	2.1
243.21082	3.4
261.22104	10.4
267.15866	16.9
285.16962	90.1
286.17380	3.4
307.22632	7.6
313.16370	10.3
316.40829	2.2
317.24875	3.8
325.53476	2.1
335.25797	86.2
336.26154	3.4
435.32742	4.3
527.37347	11.1
544.29956	2.4
545.38440	100.0
546.38873	3.1
644.44379	9.9
652.47534	3.4
687.48474	2.5
696.73639	2.2
698.38916	13.8
724.44165	2.6
742.42883	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	742.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.9
53.94147	2.8
55.01856	10.0
55.05511	12.5
57.03439	9.7
61.02912	6.7
65.03945	4.3
67.05504	42.6
69.03425	5.8
69.07078	14.9
71.04977	6.2
71.48600	3.1
79.05077	4.0
79.05501	55.5
81.03403	7.6
81.06655	4.2
81.07062	48.1
83.04962	8.9
83.08630	3.7
85.02917	4.4
85.06510	3.2
86.09711	8.5
91.05485	83.0
93.07054	41.5
95.04977	14.0
95.08604	15.4
97.02882	5.5
97.06532	5.0
98.18677	2.9
98.21823	2.7
105.07034	41.2
107.04946	10.0
107.08596	53.2
109.06506	13.2
109.10164	45.2
111.08048	3.0
115.05457	5.6
117.07017	46.3
119.08572	12.8
121.06548	4.8
121.10136	7.0
123.08057	3.5
123.11733	8.6
124.99982	5.8
129.07019	5.2
131.08522	11.0
133.06488	5.9
133.10136	52.6
135.08060	40.9
135.11687	4.0
143.08553	4.0
145.10147	10.1
147.08084	4.1
147.11650	5.0
149.09555	6.3
151.11218	22.8
157.10205	4.2
159.11737	3.5
161.09590	3.8
163.03938	3.4
163.07562	6.2
174.94016	3.4
184.07292	23.5
189.08995	4.2
189.12724	4.1
215.12619	3.7
253.14374	100.0
255.12279	60.7
263.20078	4.9
273.18542	22.2
291.19461	20.0
307.22592	4.1
347.22198	6.0
355.14786	4.0
365.23264	26.5
451.23355	39.9
454.68387	3.0
509.29193	3.7
527.29724	8.1
545.23340	4.3
545.31061	48.7
566.28204	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	742.4007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.9
55.01878	14.6
55.05510	18.9
57.03437	10.7
57.07082	2.2
59.04991	4.2
61.02924	4.9
63.12679	1.7
65.03930	2.9
67.05505	45.8
69.03420	7.2
69.07074	38.1
70.67944	4.2
70.68307	1.8
71.01338	2.0
71.04971	4.8
73.92448	1.6
77.03912	1.9
79.05495	69.3
81.03419	16.7
81.07059	49.1
83.01336	7.7
83.04979	13.6
83.08603	11.8
85.02903	6.3
85.06554	2.9
86.09676	2.2
89.06042	2.6
91.05489	59.0
93.07048	53.0
93.07632	2.5
95.04948	13.0
95.08608	37.0
97.02891	14.3
97.06528	11.9
99.04447	2.3
99.08080	2.5
103.05438	3.6
105.07030	31.8
107.04945	19.9
107.08604	27.2
109.02880	3.5
109.06533	10.8
109.10172	10.4
111.04430	2.7
111.08055	2.9
115.05486	3.9
117.07016	14.1
119.08579	41.8
121.06496	8.7
121.10143	42.7
123.04477	3.0
123.08068	22.1
125.05961	3.2
125.09654	3.6
127.03928	2.5
128.06239	4.4
129.06998	14.2
130.07762	2.1
131.08562	30.3
133.06487	5.8
133.10112	15.9
135.08084	9.0
135.11702	8.0
137.09593	5.6
141.07008	2.3
141.09105	2.0
143.07050	4.2
143.08546	11.7
145.06450	2.2
145.10141	20.9
147.08046	15.2
147.11670	6.5
149.09647	14.4
151.07520	6.9
151.11234	2.3
153.09129	1.9
155.08591	3.3
157.10144	11.4
159.11679	5.4
161.09605	5.5
161.13269	4.6
163.07567	2.5
163.11188	20.4
165.09100	5.9
169.10097	2.2
171.11691	3.5
173.09657	3.5
173.13289	2.2
175.07509	3.4
175.11229	2.6
177.09111	4.4
181.08496	2.0
181.12221	2.4
184.07338	4.8
185.09592	2.1
185.13191	2.0
187.14809	3.5
189.09190	2.3
189.16386	8.9
191.10706	3.4
199.09657	7.7
199.14827	16.7
201.16397	3.1
202.78371	1.6
209.11703	8.6
212.11800	1.8
217.15921	12.8
225.11171	12.3
227.12540	4.0
227.14357	6.5
239.12877	1.8
245.15411	24.1
253.14308	3.1
255.12338	5.3
263.16348	10.3
281.17453	2.2
283.15402	80.4
291.19629	5.1
309.13156	2.5
319.18958	4.3
326.72311	1.9
327.14203	3.0
337.20074	39.0
338.20468	2.2
451.23157	4.9
465.24829	2.7
477.24738	2.0
527.30035	3.7
545.31091	100.0
546.31122	5.1
555.21356	1.9
556.00751	2.1
558.00970	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2034
Annotation	UNII-7NMJ4SI4P6
Peak:m/z	Relative Intensity
53.03936	0.6
54.41018	0.2
58.69907	0.3
65.03934	1.3
69.03441	1.5
70.06588	0.3
71.04981	0.8
71.38462	0.3
71.48827	0.4
79.05486	0.4
81.03422	3.8
83.04979	1.0
85.02911	2.4
87.00843	0.5
91.05488	10.0
95.04992	0.3
97.02895	1.6
99.04434	0.5
107.04949	1.5
107.08595	0.2
109.02885	1.0
111.04449	0.6
119.04948	22.5
120.05269	0.4
121.02881	1.3
122.09673	3.1
123.04382	0.3
123.10007	0.8
127.03922	1.1
136.07562	0.3
137.05991	2.0
145.05022	0.4
147.04419	100.0
147.30475	0.2
148.04774	1.3
149.05988	0.5
150.09221	0.3
151.03905	1.1
161.05977	1.3
164.07069	0.4
165.05507	4.5
165.06900	0.4
169.05006	0.2
191.07147	0.3
203.06946	0.3
209.08092	0.4
213.09094	0.3
242.30934	0.2
257.08124	2.2
261.08798	0.5
283.06012	0.3
285.11298	0.3
286.04922	0.3
287.05524	5.3
291.08603	3.5
293.10153	0.3
299.05518	2.4
300.06335	1.0
309.09702	2.5
311.05603	0.7
313.06995	0.3
325.07034	0.6
329.06522	5.2
337.07086	0.3
353.06644	1.4
379.08197	0.5
397.09250	2.5
415.10199	1.5
433.11319	3.0
478.57779	0.3
493.18689	0.4
620.28162	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.7
55.01875	2.9
55.05515	12.8
55.54633	0.7
57.03439	8.4
57.07071	2.6
58.06602	1.8
59.04993	1.2
61.02913	2.2
65.03926	1.8
67.05508	37.7
69.03435	2.0
69.07071	10.7
70.04026	3.6
71.04986	3.3
71.08632	1.4
73.02908	0.8
79.05496	35.6
81.03426	2.9
81.07061	40.9
83.04980	2.8
83.08636	8.1
85.02898	1.6
85.06544	0.9
87.04463	0.9
91.05480	14.6
93.07048	46.1
95.04990	5.2
95.08611	45.9
97.02892	3.3
97.06531	4.7
97.10163	1.7
98.21442	1.0
99.04456	2.9
102.39349	0.9
105.07030	11.9
107.04956	5.6
107.08598	28.1
109.06534	1.5
109.10165	10.7
111.08102	1.2
113.06041	0.9
113.70618	0.8
117.07028	7.7
119.08585	10.8
121.06540	4.2
121.10143	17.2
123.08098	1.4
123.11712	3.1
124.42958	0.8
125.05996	2.0
125.09582	1.2
129.06952	0.9
130.07782	1.6
131.08571	6.0
133.10132	6.6
135.08078	1.6
135.11700	36.3
139.07573	0.8
143.08571	1.1
144.10239	1.1
145.10130	21.3
147.11711	2.9
147.41309	0.7
149.09621	0.8
149.13269	3.4
159.11716	2.8
161.06152	0.7
161.13286	1.9
163.11194	41.1
163.14882	2.3
164.11554	1.0
173.13278	2.2
175.14902	1.2
177.07851	3.5
181.12222	6.0
184.07382	3.0
187.14816	0.8
209.11763	2.6
227.12793	53.8
228.13252	1.0
229.48567	0.8
236.14922	2.8
243.21123	2.4
261.22217	7.6
283.15417	49.3
284.15735	1.3
313.27328	1.0
317.24661	1.4
335.25815	100.0
336.26138	3.3
460.08914	1.0
490.30829	1.0
543.36865	73.4
544.36920	4.1
642.43481	1.8
696.38306	2.4
722.48059	2.5
740.42981	10.6
741.45685	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.3
55.01880	9.2
55.05512	26.8
57.03440	16.9
57.07065	3.8
59.05003	5.6
61.02922	7.0
65.03931	3.2
67.05505	58.6
69.03416	2.5
69.07072	13.2
69.24585	8.9
71.01363	1.4
71.04983	4.0
71.08624	1.3
73.02914	2.0
73.06568	0.9
73.45936	0.8
77.03948	1.1
79.05495	50.9
81.03419	14.3
81.07058	70.1
83.01347	10.2
83.04974	9.9
83.08620	17.0
85.02910	7.4
85.06548	2.0
91.03950	3.3
91.05483	31.0
93.07044	58.7
94.07417	0.9
95.04977	8.8
95.08609	43.3
97.02891	6.3
97.06533	5.1
97.10149	6.9
99.04458	2.7
99.08046	1.3
105.07037	22.1
106.17850	0.8
107.04966	6.1
107.08598	34.0
109.06520	5.9
109.10163	17.6
111.04450	3.1
111.08073	2.9
115.05482	1.2
117.07021	14.6
119.08582	18.2
121.06518	3.8
121.10137	23.1
123.08057	9.2
123.11703	7.1
125.05985	1.7
125.09651	3.8
127.03944	1.3
129.06967	2.4
130.07773	1.6
131.08588	13.7
133.10143	11.4
135.08038	2.1
135.11694	19.5
137.06004	1.2
137.09639	2.5
137.13271	1.1
143.08562	1.9
145.10124	23.0
147.08061	2.5
147.11674	6.8
149.09674	1.8
149.13248	5.9
151.11201	1.0
151.75845	0.9
153.12773	3.6
155.08566	1.7
157.10092	1.2
159.11711	5.7
161.13280	4.4
163.11171	20.9
163.14847	2.9
171.11659	1.4
173.09627	4.0
173.13269	6.1
175.14926	1.9
177.07791	1.1
181.12183	4.2
185.13361	1.4
187.14841	3.0
189.11203	2.4
191.10686	3.2
193.12192	1.9
193.84286	1.4
199.11343	0.9
199.42888	1.0
201.16508	1.4
209.11742	9.4
227.12784	9.2
236.14853	2.2
241.19565	1.3
243.21088	6.6
259.20508	1.1
261.22147	19.2
267.15982	2.1
277.21939	1.0
283.15396	97.0
284.15686	2.4
299.23611	5.0
317.24747	4.5
333.24158	1.7
335.25803	100.0
336.26190	2.8
423.33331	1.0
433.31110	2.2
447.40829	1.0
451.31964	1.8
469.33041	1.9
487.34238	1.2
488.24133	0.9
525.35565	4.6
543.36841	75.7
544.36993	4.0
560.40442	1.0
561.37927	2.5
599.50043	1.9
642.43921	2.1
645.69800	1.1
740.43683	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	740.4582
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07566	0.7
53.03945	4.1
54.04670	0.7
55.01871	7.3
55.05513	22.0
57.03439	14.7
57.07072	3.7
58.06597	0.7
59.04996	3.4
61.02933	5.5
65.03931	1.7
67.05505	41.5
69.03433	1.9
69.07063	11.4
69.24541	5.9
71.01373	1.3
71.04986	3.2
71.08643	1.9
73.02907	1.3
79.05495	41.1
80.11915	0.7
81.02943	1.0
81.03416	13.3
81.07056	44.9
83.01344	8.1
83.04985	10.9
83.08614	13.0
85.02895	7.8
85.06541	1.4
91.03988	1.3
91.05481	25.6
93.07045	47.3
95.04954	6.4
95.08607	33.8
95.12370	0.8
97.02901	4.4
97.03452	0.7
97.06543	5.7
97.10178	4.5
99.04446	2.2
99.08110	1.7
103.05467	0.9
105.04507	1.1
105.07039	17.9
107.04957	6.4
107.08596	23.6
109.06516	6.2
109.10155	13.1
111.04435	2.6
111.08070	2.3
115.05462	1.0
116.06339	0.7
117.07016	11.0
119.04951	0.9
119.08579	13.9
121.06506	3.6
121.10143	16.5
123.08061	7.1
123.11668	4.1
125.09620	2.6
127.03924	1.1
129.07011	2.7
130.07771	2.4
131.08568	12.6
133.06499	2.0
133.10121	7.0
135.04420	1.4
135.08067	3.1
135.11694	18.5
137.05972	2.9
137.09628	1.2
143.08606	1.9
145.10121	18.0
147.08115	0.9
147.11693	3.4
149.06020	1.8
149.09633	1.8
149.13301	4.7
153.12776	2.8
155.08536	1.7
159.08058	1.3
159.11713	3.7
161.05988	1.0
161.13258	3.6
163.11191	19.6
163.14842	2.9
173.05910	0.9
173.09665	2.8
173.13254	4.8
175.07619	0.9
175.14792	1.6
177.09209	1.0
181.12233	3.3
183.72139	0.9
184.07391	1.5
187.14790	2.0
189.11238	2.2
191.10690	3.2
193.12276	1.3
209.11792	7.1
227.10837	1.1
227.12846	9.2
236.14969	2.5
243.21065	4.0
261.22159	13.8
269.11768	1.0
283.15393	100.0
284.15668	2.0
299.23764	3.4
317.24786	3.1
333.24356	1.5
335.25803	68.3
336.26111	2.0
386.19543	3.0
410.25708	0.9
410.46683	0.9
433.31140	2.1
451.31888	1.6
469.33121	1.8
487.34030	1.1
525.35651	3.0
543.36835	39.0
544.36786	1.6
561.37518	1.6
642.43506	15.3
690.48901	2.5
740.42206	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	740.458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.6
55.05515	19.5
55.86641	2.2
57.03436	5.1
57.07083	4.4
61.02903	5.2
61.16727	2.3
65.78288	2.6
67.05506	37.3
69.03429	17.3
69.07069	23.4
71.49569	4.2
73.02921	3.6
79.05499	17.4
81.03416	11.6
81.07059	63.8
83.08625	22.4
85.02908	39.3
85.06524	3.0
87.00823	17.6
91.05464	15.0
93.07048	38.8
94.95910	2.7
95.04955	2.5
95.08607	100.0
97.02900	15.4
97.10181	9.4
99.04476	5.9
105.01868	32.4
105.07036	22.2
107.08602	44.8
109.02866	14.2
109.10157	95.0
111.11710	6.9
111.53775	2.9
117.06989	4.6
119.08582	20.1
121.10139	35.4
123.08119	2.5
123.11699	43.3
125.09628	3.3
127.03922	32.2
129.01833	2.4
131.08551	12.3
133.10133	22.8
135.08090	3.3
135.11707	38.1
137.13271	20.4
145.04962	13.4
145.10136	17.5
147.11710	23.2
149.09570	4.9
149.13277	40.5
151.07590	3.8
151.14818	5.5
157.10179	3.7
159.02884	5.5
159.11749	12.3
161.13234	13.4
163.07542	3.3
163.11099	2.8
163.14822	30.7
165.09129	7.0
165.12782	3.9
171.11717	5.2
173.09662	6.2
173.13286	20.1
175.14868	14.2
175.16139	2.5
177.07780	5.2
177.09181	6.1
177.16431	15.7
179.17946	4.1
185.13284	3.8
187.11279	4.3
187.14854	8.7
189.16382	5.6
191.10678	6.9
191.14436	2.7
191.17967	21.0
193.15865	6.1
201.12758	42.0
201.16385	4.5
203.14302	7.1
203.17970	4.3
205.12288	6.2
205.15845	6.7
205.19495	27.4
215.14368	6.1
217.19485	4.3
219.13806	78.8
219.17239	3.3
219.21042	26.4
221.15353	20.4
229.16006	2.7
231.04964	15.6
233.15346	9.3
237.14827	23.9
247.16946	10.9
249.06082	8.2
251.16437	11.4
261.18692	5.3
262.19644	2.7
265.18011	3.7
275.20078	5.1
277.17859	3.0
291.19507	2.8
329.24744	4.1
343.26242	4.7
344.86813	2.7
361.27432	14.1
370.15750	2.7
373.27399	7.2
411.36032	7.2
421.34805	4.8
422.89136	2.9
439.35724	41.0
457.30545	5.3
457.36746	81.0
458.36734	3.7
740.36871	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	740.413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.2
55.01866	2.2
55.05510	3.4
56.05021	1.9
57.03422	2.0
57.07087	4.9
58.06590	2.8
59.04994	1.7
60.08157	1.1
65.03932	1.2
67.05505	10.0
68.05045	0.9
69.03436	1.1
69.07067	2.9
71.04996	1.2
71.08627	3.9
71.49481	1.0
79.05493	11.6
79.12141	0.6
81.03418	16.0
81.07058	13.0
83.04966	1.9
83.08611	2.4
85.02880	1.1
85.06551	1.4
85.10154	0.9
86.06066	1.0
86.09758	0.6
89.06003	0.8
91.05486	15.7
93.07042	8.6
95.04965	3.9
95.08610	6.7
97.02914	0.9
97.06545	0.9
97.10146	0.8
98.98468	2.8
99.04481	0.6
101.03731	0.6
103.05464	1.2
104.07085	1.8
105.07036	11.1
107.04963	5.4
107.08582	5.0
109.02935	0.7
109.06529	3.6
109.10165	2.3
111.04482	0.7
111.08066	0.8
115.05462	1.2
117.07025	7.5
119.04936	4.3
119.08585	2.3
121.06508	2.4
121.10145	2.5
123.04422	1.6
123.08063	1.1
123.11714	1.0
127.07558	1.1
128.06261	0.8
129.07008	2.9
131.04921	1.4
131.08569	10.4
133.06493	8.3
133.10115	2.3
135.04440	5.9
135.08054	7.2
135.11682	1.9
137.05977	23.2
141.06970	0.7
144.05704	0.7
144.10237	1.1
144.80716	0.6
145.06511	1.6
145.10124	0.9
147.04401	4.4
147.08063	1.6
149.05986	4.3
149.09610	6.5
155.01035	1.1
155.08632	1.1
157.06538	1.3
159.08057	4.6
160.07607	0.7
161.05992	11.3
162.09074	0.8
163.07574	2.3
163.11147	1.5
164.07097	1.2
171.08121	0.9
173.05998	5.2
174.06766	0.8
175.07567	3.9
177.07822	1.0
177.09117	7.6
182.03525	0.6
182.68076	0.6
183.08032	1.0
184.07405	1.2
185.06021	1.1
187.07559	2.9
189.05518	0.8
189.09148	0.8
190.08667	1.4
191.07082	0.8
191.09471	0.7
195.10196	0.9
197.09644	0.9
199.07571	2.1
201.09209	1.0
203.07059	5.6
208.95474	0.7
211.07481	1.0
220.09789	0.7
227.10724	1.8
228.10188	0.8
236.14964	5.7
239.10710	1.0
241.12286	1.1
267.16202	0.7
269.11694	5.4
283.15424	4.6
287.12659	3.0
295.13168	1.1
312.15970	0.8
313.14438	2.7
313.27603	1.1
314.27765	0.9
330.16995	4.0
331.15302	1.6
335.25821	2.9
342.16956	1.2
360.18192	1.9
368.18597	1.8
386.19635	23.4
387.20309	1.0
404.20697	7.3
430.97601	0.8
484.17593	0.9
543.37000	1.7
599.50323	1.4
624.42474	4.4
642.43628	100.0
643.44244	6.3
690.48920	4.7
740.41211	18.4
741.42297	1.8
748.97705	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68661	2.3
52.69691	3.1
71.48540	2.9
74.41033	2.6
86.13018	2.9
121.86478	2.7
137.01976	2.5
147.04417	6.2
161.06007	3.4
175.03899	6.9
176.26346	2.4
187.03865	5.9
188.07095	13.8
197.06030	7.3
213.05450	5.3
214.05042	3.9
215.03368	4.1
225.05449	9.7
229.04971	6.8
239.03377	5.5
240.06554	7.7
241.04893	2.9
242.08138	5.4
257.04395	4.8
258.07602	15.2
267.02896	6.9
270.07739	3.6
288.08673	12.3
325.08633	3.0
327.06464	4.9
329.08145	7.2
337.08456	5.0
345.07715	4.2
352.09647	4.9
353.08026	4.7
355.05664	3.2
356.06519	2.8
357.07532	4.0
368.09149	3.6
369.07739	3.9
373.06775	9.5
380.09167	5.7
381.07721	11.6
383.08606	8.2
385.06989	6.5
396.08514	3.8
398.10721	12.8
399.08194	3.6
401.06412	5.2
405.06033	6.2
408.08612	7.4
409.07080	8.5
410.09995	10.1
412.07947	5.7
414.09235	3.3
415.10059	3.3
426.09927	15.5
427.07980	6.2
429.05865	4.8
430.09433	5.0
436.08188	20.9
437.06415	13.5
440.07605	6.5
444.11151	3.4
454.09235	74.0
472.10040	5.7
531.11469	6.5
532.12335	5.1
543.09595	3.3
545.07123	8.5
560.11731	11.0
561.10272	4.2
570.09912	5.3
588.11395	100.0
589.11401	4.0
676.28552	3.1
722.13690	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	739.4181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85364	0.6
55.05507	2.4
57.03438	1.8
57.07076	0.9
58.06600	1.6
59.05000	3.6
63.31684	0.7
67.05518	4.3
67.12393	0.8
69.07061	1.9
69.38414	6.2
71.08633	1.1
79.05499	5.3
81.07058	2.4
83.05025	1.2
87.04469	0.8
91.05479	3.5
93.07047	2.9
95.08605	2.6
97.06526	0.9
105.07036	4.0
107.04891	1.1
107.08602	3.0
109.10149	1.1
117.07028	1.2
117.09083	1.3
119.08576	1.4
121.10146	1.0
131.08574	0.9
133.10164	0.9
135.11697	1.2
143.54134	0.8
145.10240	1.1
184.73845	0.8
187.57137	0.8
190.72858	0.7
200.27673	0.8
209.50439	0.8
236.14981	2.3
255.15961	1.6
281.17389	1.2
313.27429	2.5
335.25842	1.3
363.07980	0.8
461.36493	2.1
479.37244	1.0
527.66052	0.9
542.39215	3.4
559.37402	1.2
738.62506	1.1
739.41772	100.0
740.41962	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	738.4787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.2
55.05516	19.5
57.03427	11.5
57.07080	4.9
58.06589	10.2
59.05009	19.1
67.05508	62.6
69.07076	18.4
69.80427	13.9
71.04977	4.0
73.59858	2.6
79.05499	67.3
81.03426	5.1
81.07059	60.3
83.04972	14.7
83.08614	9.1
85.02888	3.9
87.04446	3.6
89.06046	3.7
91.05489	62.8
92.23691	2.5
93.06497	4.1
93.07050	69.2
95.04948	13.2
95.08611	35.2
97.06528	6.1
97.10153	4.7
101.06028	2.6
102.12788	2.8
104.54890	2.5
105.04557	2.6
105.07040	34.6
107.04955	5.2
107.08601	24.9
109.06512	4.8
109.10188	13.9
117.07013	11.2
117.09129	3.2
119.08569	18.6
121.10149	16.5
123.08073	3.5
123.11665	3.1
129.06998	8.8
131.08556	8.5
133.10107	18.0
135.11685	17.2
135.39920	2.4
143.08540	7.9
145.10179	6.3
147.11708	23.7
149.13312	4.5
149.37048	2.7
157.10132	4.1
159.11723	5.1
161.09607	4.3
161.13237	10.4
171.11681	13.5
189.12712	6.2
192.74895	2.8
203.17975	4.5
207.13771	18.4
236.14946	13.8
237.15213	4.2
255.16031	14.1
261.22092	4.3
279.15619	4.7
281.17462	45.9
287.23703	5.0
297.09586	2.7
335.25815	47.4
425.62128	2.7
473.41565	2.8
541.30652	5.1
541.38922	100.0
542.39227	5.4
559.39404	3.4
576.04431	3.2
651.44312	3.4
692.48767	2.8
737.60846	4.2
738.50458	10.0
738.61969	5.8
739.41992	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	735.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
59.46047	0.6
63.02412	0.9
65.48860	0.6
68.99796	13.6
71.08823	1.3
79.05478	2.2
81.03405	1.6
81.07081	0.8
84.04510	0.7
89.03923	8.8
91.05480	1.4
95.04958	0.8
95.08611	0.8
97.02935	0.7
98.84109	0.7
103.05447	2.5
107.04954	4.2
109.02880	0.9
109.10147	0.8
111.00827	2.5
115.05455	2.0
115.07581	0.6
117.03381	12.1
123.04440	5.3
129.03395	1.6
130.05035	0.8
131.04945	5.8
133.93515	0.6
135.04419	17.8
137.02350	16.8
137.03410	1.4
137.05980	1.1
139.05392	1.0
141.03300	0.7
141.06976	1.0
143.04936	1.5
143.89627	0.6
145.02859	16.6
145.03938	0.6
145.06456	0.8
147.04413	26.7
149.06007	2.0
155.04913	1.4
157.02887	1.9
157.06450	0.7
157.10133	0.7
159.04431	4.4
161.05988	1.8
163.03912	100.0
164.04225	1.3
167.04919	1.1
169.06461	1.1
171.04417	5.3
173.02411	1.1
173.06033	2.3
175.03915	22.0
176.04308	0.9
177.05487	13.6
183.04411	0.8
185.02417	1.3
185.05951	1.9
187.03853	10.4
189.05528	4.3
189.26080	0.7
191.03401	2.0
195.04401	1.0
197.02306	2.1
197.06009	3.5
199.03923	5.5
199.07413	0.7
201.01846	2.2
201.05461	2.9
203.03400	24.3
205.04971	15.7
205.06386	0.6
213.05440	5.9
215.03433	4.7
215.06825	0.8
215.08716	0.9
217.04916	1.9
219.02794	0.9
219.06583	1.1
223.03990	1.4
225.01849	2.0
225.05432	1.2
227.03416	7.9
228.03908	0.6
229.05028	2.3
231.06485	12.8
231.08511	0.8
233.04333	0.9
237.05521	0.8
239.03377	0.9
241.04961	4.3
243.02852	4.3
243.06364	2.9
245.04462	21.2
247.05986	5.3
249.09174	0.9
253.01340	2.1
253.05043	1.2
257.04453	2.2
259.05783	0.7
259.07809	1.0
261.03949	3.1
263.07132	0.9
265.04910	1.4
269.04413	9.2
271.02405	10.1
271.05542	1.1
277.08719	1.5
281.04507	1.1
283.06055	0.9
285.07678	0.8
287.05148	5.1
289.03397	1.8
289.08636	1.6
295.02319	0.7
295.06134	0.8
303.06647	1.8
304.07434	0.8
305.08090	3.0
309.04077	1.6
311.05444	4.9
313.03293	3.5
313.08820	0.8
315.06543	4.2
317.08096	1.4
323.09091	2.1
327.05371	1.1
329.06619	4.2
331.05786	0.8
333.07651	1.3
337.03470	0.7
343.06125	1.6
345.07639	1.2
347.05399	1.2
349.06897	1.4
351.08655	5.6
355.04980	2.2
357.07825	1.1
359.05692	2.9
361.07169	2.7
363.08823	0.8
373.06628	0.8
375.04724	1.4
377.06689	2.5
379.08182	15.4
380.08173	0.7
381.09750	18.6
385.06973	1.8
389.06406	1.4
391.08371	0.9
401.06744	1.1
403.03928	4.4
403.09048	0.9
405.10001	3.3
407.07629	15.8
409.06500	0.8
415.08167	1.0
419.07809	1.0
421.09207	1.4
423.10425	0.7
425.06351	0.9
427.08472	0.8
429.06052	1.6
431.07657	1.4
447.07498	0.9
449.08734	2.7
453.05978	0.8
455.03299	0.9
461.08875	1.1
469.09369	1.1
471.06943	2.0
485.08798	1.3
487.10294	1.2
489.08139	1.5
495.06836	1.3
513.08105	3.0
519.10706	0.8
531.09186	1.9
553.10797	1.4
557.06842	1.5
563.09680	1.4
581.11011	4.2
596.01624	0.7
607.12579	5.1
625.13092	1.2
633.10229	3.7
649.13788	1.2
651.11365	1.3
657.10284	0.8
673.13025	2.2
675.10791	1.9
693.12518	0.8
717.12036	2.7
735.13342	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	734.5926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.4
55.05476	1.5
57.03440	4.7
57.07072	4.5
58.06600	36.3
58.57717	0.4
59.04979	0.4
59.07382	9.4
60.08165	9.9
60.32877	0.4
67.05196	0.3
67.05497	4.2
69.07029	1.3
69.15070	4.5
71.04948	0.5
71.08625	3.3
73.02895	0.7
74.19106	0.4
75.04482	2.4
79.05501	3.0
81.07058	2.8
83.08603	0.9
83.66611	0.3
84.08109	1.1
85.02911	2.5
85.10149	1.4
86.09695	0.7
87.04461	3.2
91.05442	1.2
93.07039	2.9
95.08597	3.7
96.77336	0.4
98.21523	0.9
102.05531	0.9
103.03918	0.5
105.05481	0.7
105.07014	0.9
107.08563	1.2
109.10096	1.3
113.05951	1.6
117.07032	0.5
119.08549	0.6
121.10075	0.5
130.08659	0.4
131.06996	1.3
133.10110	0.4
144.10201	16.1
149.41086	0.4
162.11253	5.5
200.12813	0.7
218.13884	1.0
236.14929	100.0
237.15262	1.2
253.63071	0.4
313.27286	0.9
369.29990	0.6
412.37869	0.6
456.36841	7.1
457.37936	0.4
474.37949	16.8
475.38358	0.5
478.35333	3.0
496.36295	6.2
497.37231	0.4
580.89685	0.4
734.59283	99.4
735.59540	6.4
737.83167	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.2
59.04996	0.6
60.90586	0.5
61.77843	0.5
63.32247	0.5
63.66080	0.5
68.99445	1.0
68.99793	13.1
69.03433	1.1
69.51008	0.5
71.49051	0.5
71.49466	0.8
73.06538	1.0
77.03900	0.6
79.05494	2.1
81.03439	2.6
81.07041	1.0
85.02898	2.2
89.03907	8.6
91.05477	1.3
95.04955	0.7
95.08595	0.8
97.02881	1.0
103.05480	2.8
105.01878	0.6
105.07066	1.0
106.06562	1.0
107.04970	4.2
107.08613	0.7
109.02872	2.2
111.00781	2.1
115.05456	2.4
117.03375	11.9
119.04922	0.8
121.10102	0.6
123.04449	6.2
127.03918	2.4
129.03368	1.3
131.04945	7.8
133.10118	0.6
135.04416	19.0
137.02353	19.2
137.03439	2.0
137.05968	1.2
139.05418	0.9
141.03348	0.8
141.06938	0.7
143.04910	1.8
145.02850	17.4
145.03995	1.2
147.04413	27.0
149.02348	0.8
149.05959	2.1
153.06989	0.5
155.04939	1.8
157.02875	1.2
157.06528	0.8
159.04408	5.0
161.05995	2.7
163.03908	100.0
164.04257	0.5
167.04922	1.3
169.06439	0.6
171.04430	5.8
173.02403	0.9
173.06003	2.5
175.03909	23.3
177.05487	14.0
183.04465	1.2
185.02368	1.1
185.05989	2.2
187.03879	11.1
187.05304	0.9
189.05467	4.1
189.09117	0.8
189.16371	1.5
191.03413	2.1
193.04903	0.7
195.04414	1.6
197.02402	2.4
197.06023	3.2
199.03929	7.5
201.01797	2.3
201.05470	2.9
203.03412	24.0
203.08598	1.0
205.04971	16.1
207.02824	0.5
207.04558	0.7
211.03795	0.9
213.05421	6.4
215.03395	6.1
215.06860	0.6
216.04138	0.5
217.04959	1.8
219.06392	1.3
220.03168	0.5
223.03954	0.8
225.01845	1.7
225.05545	1.4
227.03387	9.5
227.06802	0.8
229.04938	1.8
231.04414	0.9
231.06535	17.0
233.04398	1.2
237.05464	1.2
239.03430	1.1
241.04855	4.1
243.02774	3.2
243.06169	2.5
245.04451	22.9
247.05904	7.8
250.06163	0.6
253.01337	1.9
253.04958	1.4
257.04581	1.7
259.05734	1.4
259.08014	1.1
261.03900	3.4
263.06982	0.7
265.04950	1.0
269.04422	8.1
270.04868	0.7
271.02417	10.7
271.05585	1.0
271.07645	0.8
277.08582	1.5
281.04437	1.1
283.06076	1.8
285.03958	1.5
285.07486	1.4
287.05588	4.7
289.03452	2.1
289.08551	1.9
299.06921	0.8
301.05048	0.7
303.06625	2.5
305.07886	2.9
309.03958	1.2
311.05453	4.3
313.03342	3.0
315.06540	3.8
316.07285	0.8
317.08112	0.7
323.09149	4.0
327.05679	0.8
329.06400	3.0
331.06250	1.3
333.07678	2.0
337.03741	0.7
341.08063	0.7
343.05969	2.0
345.07458	1.3
347.05521	1.2
349.07202	1.4
351.08713	5.7
355.05161	1.7
357.07523	1.4
359.05518	2.3
361.07162	2.2
363.08609	1.1
367.26462	1.2
369.07556	0.8
373.07016	1.3
375.04706	1.0
375.08997	0.8
377.06711	2.6
379.08115	16.1
381.09766	17.4
382.09717	0.8
385.07019	1.7
389.06528	1.7
391.08148	1.0
397.06964	1.1
401.06638	1.8
403.04050	2.7
403.08524	2.0
405.09796	5.3
407.07642	16.8
408.08075	0.6
413.06546	1.0
415.08252	0.7
417.05762	0.7
419.07617	1.6
421.09149	2.0
425.06305	0.7
427.08359	0.7
429.06229	1.7
431.07449	2.3
443.07748	1.7
445.05246	1.6
447.07169	1.0
449.08771	3.0
461.08618	0.8
469.09811	0.8
471.07184	2.3
485.08920	1.2
487.10373	1.1
489.08234	1.6
491.10696	0.6
495.06943	1.1
513.08295	2.2
515.06146	0.8
531.09027	3.4
539.05884	0.8
551.09460	1.1
553.11090	2.0
557.06781	2.1
563.09418	0.9
579.09546	0.7
581.10803	4.6
589.11169	0.8
607.12598	4.4
615.08734	0.8
625.12445	0.8
631.11823	0.8
633.10345	4.4
651.11188	1.7
673.13171	1.5
675.10834	2.0
691.14392	1.2
693.12195	1.1
699.11877	0.8
717.12219	2.3
735.13525	3.9
759.26367	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.5061
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	7.7
57.07068	0.6
65.76738	0.3
69.07065	0.4
70.06574	0.8
81.07044	0.4
82.06589	2.2
83.04975	0.7
83.08150	0.6
83.08619	7.9
84.08157	0.7
85.06560	0.6
97.06513	0.4
98.09688	1.3
100.07628	2.4
100.11260	48.1
107.08620	0.3
110.06033	1.8
111.04446	4.6
112.07618	1.2
112.11198	0.7
117.13899	0.9
126.09164	1.0
127.08672	1.2
128.07077	3.1
139.08652	3.2
140.07094	1.7
147.11690	0.4
164.14302	0.3
166.15855	0.3
182.15407	13.9
183.15710	0.4
192.13870	0.6
209.16502	18.8
210.14897	16.4
226.19130	5.7
227.17644	1.5
228.15930	1.5
229.46059	0.4
230.86649	0.3
326.27997	3.9
335.24561	0.8
336.22736	3.5
343.30569	0.4
417.32239	0.6
435.33301	12.3
453.34384	100.0
454.34708	3.7
553.55731	0.3
681.60248	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.4686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00305	2.4
53.03942	1.6
55.01867	1.7
55.05515	11.5
57.03442	11.2
57.07079	25.7
58.06599	5.4
59.04998	5.7
59.07384	2.3
60.08158	1.5
61.02910	3.2
64.67886	0.9
65.03922	1.6
67.05506	14.2
69.03419	1.8
69.07082	4.8
69.22939	10.1
71.01366	1.4
71.08633	17.0
79.05492	7.8
81.03411	3.2
81.07060	17.5
83.04974	1.3
83.08622	12.1
85.02894	3.9
85.09711	1.7
85.10184	10.6
87.04465	1.3
89.06024	3.4
91.03918	1.7
91.05490	17.0
93.07047	10.6
95.04974	3.5
95.08607	15.6
97.02903	5.0
97.06528	2.6
97.10171	2.2
97.20611	1.0
99.00813	12.2
99.08105	1.1
99.24722	1.0
101.06027	1.2
103.05443	1.2
103.07554	2.6
105.07028	18.4
106.07391	1.6
107.04956	3.7
107.08607	6.0
109.02874	8.9
109.06532	1.6
109.10162	9.0
111.08095	2.3
115.03915	2.1
117.07005	2.5
119.08564	5.9
119.43629	0.9
121.06506	6.8
121.10123	2.2
123.11696	4.2
127.03931	1.9
131.08553	1.3
133.06503	1.4
133.08600	1.8
133.10135	25.4
135.08102	2.3
137.09612	1.2
139.07608	1.5
143.08603	5.2
144.10184	1.5
145.06474	1.9
151.11215	7.3
161.09622	13.1
163.03824	1.6
171.08070	3.6
179.10674	7.0
184.07359	1.7
189.09119	6.5
197.11739	1.7
207.10101	2.2
218.02695	1.0
225.11177	10.1
235.07375	1.1
236.14967	16.7
239.23610	2.2
243.12215	1.6
251.20172	2.7
257.24921	1.3
276.28033	1.0
281.13898	5.4
299.14902	100.0
300.15277	1.9
313.27377	86.6
314.27710	1.4
371.18561	1.0
474.37802	3.1
481.29956	1.1
537.37866	53.6
538.37866	3.2
630.65607	1.2
734.59802	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	734.4836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.3
55.05516	4.7
57.03441	0.8
58.06595	1.2
59.04987	2.0
62.81135	0.7
63.32576	0.6
63.56309	0.6
65.03939	0.8
67.05506	27.3
67.21290	0.6
69.07068	6.2
69.27348	6.0
71.04984	0.7
79.05494	15.0
81.07062	25.4
83.04990	0.9
83.08624	9.8
85.06552	1.1
86.09714	1.3
86.23219	0.7
89.03921	1.5
89.05974	0.7
91.05483	10.4
93.07049	19.2
95.08613	27.0
97.06535	8.1
97.10161	2.7
98.20710	1.2
99.08102	2.3
105.07030	6.7
106.11668	0.7
107.04954	0.9
107.08590	11.0
109.09483	0.9
109.10163	11.8
111.08092	7.6
117.03356	3.7
117.07023	0.9
119.08606	6.1
121.10153	22.8
123.11713	5.8
125.00008	0.9
125.09607	2.7
131.08606	3.8
133.10138	15.4
135.04420	6.1
135.11699	14.1
137.09636	3.1
137.13239	1.8
139.11182	1.2
145.02827	4.0
145.10121	2.9
147.11682	3.4
149.13280	4.2
151.11186	3.2
153.12802	0.7
155.10666	1.1
159.11676	3.5
163.03914	37.0
169.12257	0.9
173.13257	2.7
181.04974	2.9
184.07394	4.9
187.14859	2.0
189.16292	0.6
195.13834	1.3
205.66301	0.7
215.17969	14.0
233.19032	9.9
236.15007	3.3
249.18553	2.0
251.20074	100.0
252.20451	2.9
267.19635	1.5
269.21143	27.5
270.21536	1.0
283.29449	0.7
297.55927	0.7
474.37616	1.1
734.59583	3.9
759.30896	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.5465
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.7
57.03441	5.6
59.05004	100.0
60.05330	0.6
67.05508	1.4
67.97282	0.4
69.07077	1.1
71.48683	0.8
73.02943	1.1
79.05506	1.6
79.63705	0.4
81.03449	1.1
81.07078	1.9
83.08632	0.5
87.04479	1.2
91.05500	1.0
93.07068	1.2
93.72900	0.4
95.08635	1.3
97.02922	0.9
97.06560	0.8
99.08111	2.1
100.07673	0.6
101.09670	1.3
101.97997	0.4
105.07040	1.5
107.08618	0.6
115.07567	3.3
117.09137	38.7
119.08554	1.1
121.10239	0.8
123.86312	0.5
129.07042	0.7
133.10103	0.7
135.10245	0.5
143.08656	0.7
145.27127	0.4
157.12321	0.5
173.11798	0.7
175.13309	12.9
175.14729	1.0
175.58617	0.5
184.07428	0.9
227.40363	0.4
233.17459	3.9
291.21835	1.2
333.15033	2.3
334.15372	2.8
349.25854	0.5
407.19064	0.9
408.19235	1.0
570.24561	1.0
571.23975	0.6
732.37085	2.3
732.56982	0.6
733.37860	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.5772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.6
55.05512	4.7
56.54046	0.4
57.03442	4.7
57.07056	1.1
57.35815	0.5
58.06603	34.4
59.07385	9.3
60.08168	10.0
67.05508	6.2
69.07070	4.5
69.20341	5.0
71.08593	0.7
75.04491	2.7
79.05508	3.4
81.06674	0.6
81.07056	5.8
83.04981	0.5
83.08617	2.5
85.02909	2.3
87.04475	4.5
88.71632	0.4
89.06008	1.1
91.05446	1.2
93.07057	4.0
95.04921	0.6
95.08622	3.7
96.07538	0.5
96.08154	0.5
96.88804	0.5
97.06503	0.6
97.10143	1.0
98.21584	0.9
100.11256	0.7
102.05495	1.0
103.03926	0.8
105.06996	0.8
105.17429	0.5
107.08583	1.8
109.10117	1.9
113.05968	1.6
121.10121	1.3
123.11731	0.9
127.21148	0.5
130.08594	0.9
131.07011	1.2
131.08559	0.8
133.10150	0.5
144.10207	14.4
145.10173	0.5
149.13364	0.5
162.11269	3.9
218.13924	1.1
236.14938	100.0
237.15221	1.3
266.52545	0.4
311.25851	0.9
335.25635	0.6
410.36539	0.8
454.35275	5.4
472.36353	16.3
473.36612	0.8
478.35242	2.5
496.36493	5.5
575.50330	0.7
621.48486	0.8
689.70825	0.5
706.78595	0.6
732.57727	93.1
733.58124	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	732.5043
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.7
55.01864	1.0
55.05510	8.9
57.03421	2.7
57.07064	1.2
58.06581	2.1
59.05004	8.0
59.07375	0.7
60.08172	0.9
60.52200	0.7
65.03913	1.3
67.05505	53.7
69.07066	10.3
71.04977	1.6
71.26472	1.5
79.05498	22.6
81.03430	1.0
81.07056	46.1
83.04979	1.0
83.08624	11.9
85.06535	2.7
87.04497	1.0
89.03928	6.1
89.06023	3.9
91.05482	13.9
93.07046	30.1
93.18955	0.8
95.04992	0.9
95.08609	47.8
96.09004	0.7
97.06523	8.9
97.10155	3.0
99.08090	3.1
101.23497	0.7
103.07585	0.9
105.07038	6.9
107.08588	16.7
109.06550	0.9
109.10156	19.1
111.08084	9.5
113.09642	0.8
114.24498	0.8
115.07543	1.0
117.03388	14.0
117.06966	1.6
117.09093	1.7
119.08588	9.3
119.24751	0.9
121.10144	42.7
122.10493	0.9
123.11739	7.0
125.09634	1.7
126.58411	0.8
131.08543	2.7
133.08598	1.3
133.10129	17.8
134.03622	1.1
135.04456	1.4
135.11690	35.6
135.12732	1.7
137.09625	3.9
137.13252	2.5
139.11150	1.7
144.10175	0.8
145.02846	45.3
145.10109	4.2
147.10188	1.0
147.11670	3.5
149.05986	6.9
149.13280	8.8
151.11147	4.4
159.11713	2.5
161.13248	1.3
162.11298	0.9
162.31271	0.7
163.03886	1.9
169.12251	1.3
173.13217	2.2
175.14838	1.5
177.05470	76.6
178.05878	1.3
181.12326	0.9
186.05479	1.2
187.14801	1.4
195.06532	11.6
195.13852	1.3
207.80864	0.9
215.17940	17.8
217.19493	5.3
233.19031	9.4
235.20569	26.2
236.14917	8.3
251.20067	100.0
252.20338	2.5
253.21646	7.3
269.21136	22.6
290.18225	0.8
313.27347	0.9
472.36115	1.2
606.98566	0.8
628.47760	2.5
732.58154	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	732.504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.4
55.01864	2.3
55.05510	9.5
57.03436	2.8
57.07076	2.0
58.06587	4.9
59.05006	8.9
62.53158	1.6
67.05508	44.3
69.07070	9.8
69.13524	11.4
69.13950	8.1
79.05493	21.8
81.07060	35.0
83.08632	12.8
85.06533	2.8
89.06029	2.9
91.05479	14.4
93.07052	25.7
95.04975	2.3
95.08607	39.3
97.06544	8.5
97.10164	3.0
98.21533	4.0
105.07012	10.7
107.08593	12.0
109.10167	15.2
111.08107	9.5
113.09728	2.1
117.03375	3.9
119.08573	6.6
121.10158	38.4
122.96964	1.9
123.11732	5.9
129.07019	2.7
130.07445	1.6
131.08557	3.8
133.08626	2.1
133.10132	14.7
135.04411	6.0
135.11708	32.7
137.09601	3.2
137.13240	3.9
145.02847	6.2
145.10168	2.8
147.11700	4.5
149.13268	7.4
151.11224	4.0
157.59091	1.7
159.11710	2.4
163.03923	44.7
173.13277	2.7
175.14803	1.9
181.04970	6.8
184.07268	3.6
187.14838	3.7
215.17952	14.1
217.19537	3.6
218.87071	1.9
233.18980	11.9
235.20564	22.0
236.15005	9.0
250.61032	1.7
251.20084	100.0
252.20442	2.9
253.21651	8.9
269.21155	28.3
336.26199	2.1
445.28696	1.9
518.60999	1.8
732.57556	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	732.4536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.4
55.01867	5.9
55.05515	23.1
57.03437	24.9
59.05006	22.0
65.03937	3.5
66.19204	2.8
67.05186	4.8
67.05511	64.6
67.05874	2.0
69.03438	6.5
69.07082	14.1
70.80403	3.9
70.80729	3.5
71.04996	2.6
71.43706	2.4
79.05501	80.6
81.03427	96.7
81.07066	61.3
83.04985	7.6
83.08631	23.9
85.02914	5.2
85.06547	6.1
86.09694	4.5
91.05491	46.5
93.06492	5.3
93.07051	77.6
95.04980	35.1
95.08070	3.5
95.08617	40.4
97.02892	8.0
97.06540	8.2
97.10164	7.1
99.08108	4.3
104.81645	2.9
105.07030	41.9
105.43455	2.7
107.04948	7.5
107.08607	30.0
109.06512	4.0
109.10157	20.8
111.08085	9.8
117.07024	15.8
117.09163	6.1
119.08583	25.9
121.06522	6.3
121.10151	36.5
123.08038	4.9
123.11736	8.8
125.09660	8.6
129.07030	15.6
131.08585	24.6
133.06435	4.0
133.10136	18.9
135.07985	3.3
135.11693	25.2
137.05916	2.7
137.09682	5.6
137.13226	2.9
142.07875	2.8
143.08647	3.4
145.10123	15.7
147.08063	6.5
147.11703	17.6
149.09613	8.7
149.13255	7.9
157.10109	15.6
159.11676	12.7
161.13275	3.7
163.11195	3.1
171.11688	4.6
173.13274	10.6
175.11174	10.5
183.11720	3.2
184.07336	11.5
189.11165	3.7
193.12303	15.7
215.17970	21.1
227.12808	4.9
233.19037	22.9
235.13072	3.4
251.20204	4.2
259.20721	3.4
267.15961	100.0
273.22260	4.2
285.17035	3.7
301.14224	3.7
307.22693	86.3
308.23029	5.5
309.16873	4.3
407.29544	6.2
425.30338	7.7
443.31473	3.2
499.27286	4.1
499.34277	55.5
517.35303	37.6
518.35663	4.7
535.35504	5.0
541.35449	3.6
732.36481	5.6
733.37140	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	732.4468
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.8
53.03939	1.1
55.52561	0.3
55.75848	0.2
56.23925	0.2
58.06602	0.2
58.58977	0.2
59.04994	0.7
67.05499	0.4
69.16706	2.6
69.53050	0.2
73.06564	0.6
76.51168	0.3
77.03939	0.7
79.05497	5.5
81.07056	0.3
86.17607	0.3
87.04473	4.5
89.06036	25.3
91.05478	2.3
93.07050	1.3
95.04985	1.4
95.08639	0.4
103.05474	4.8
105.07034	100.0
106.07369	1.6
107.07083	0.4
117.07012	0.5
119.04989	0.7
119.08564	0.6
121.06512	9.0
129.07011	0.7
131.07077	1.2
131.08569	2.9
133.08607	19.0
147.08061	1.7
149.09631	0.8
157.90431	0.3
165.07095	0.3
165.09123	2.4
166.07846	0.7
169.10210	0.2
175.09677	0.8
177.11224	6.9
177.12709	0.4
181.10181	0.3
191.10625	0.3
193.12221	0.3
209.11671	1.2
209.13368	0.6
211.13239	0.5
221.13852	1.9
223.11243	0.4
225.12738	5.8
226.13165	0.3
227.12944	0.4
236.14978	0.4
249.12807	0.3
251.14316	4.6
253.15971	0.8
265.16550	0.4
267.13644	0.3
269.15341	4.0
271.15521	0.7
295.16916	0.4
301.33588	0.3
309.19250	0.4
313.17953	2.6
315.18048	1.2
316.31128	0.3
327.17401	1.0
329.19055	3.7
355.20526	0.6
359.20404	0.5
373.21646	2.9
401.23569	0.5
403.23257	5.0
415.22842	0.3
417.24182	0.5
419.24329	0.9
449.90204	0.3
463.26987	1.0
477.28027	0.8
507.29565	11.1
508.29645	0.6
611.35730	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.4525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.6
55.01885	1.9
55.05505	13.1
57.03439	17.7
57.07051	3.0
58.06600	2.0
59.04980	5.6
61.02921	3.5
65.96276	1.9
67.05505	48.4
69.03427	4.3
69.07065	15.0
71.04995	4.2
71.23010	3.3
73.02934	2.5
79.05494	36.9
80.83661	1.7
81.03420	100.0
81.07056	43.9
83.04963	5.0
83.08611	8.3
85.02902	4.6
85.06541	2.0
86.09682	3.6
87.04446	3.7
89.06029	4.3
91.03956	2.1
91.05484	39.6
93.07044	40.3
94.07358	2.2
95.04969	4.5
95.08607	37.0
97.02888	5.9
97.06504	3.7
97.10191	3.1
98.20790	2.0
105.07030	23.0
107.04926	2.2
107.08599	19.5
109.06515	4.0
109.10146	16.3
113.08286	1.8
117.07020	9.6
119.08588	29.3
121.06513	6.5
121.10146	17.7
121.57635	1.8
123.04408	2.5
123.08063	4.3
123.11664	4.8
125.00000	2.1
125.09655	2.0
129.07024	4.6
131.08546	7.9
133.06569	1.7
133.10118	9.3
135.08067	3.6
135.11682	12.2
137.09622	18.0
143.07056	3.4
143.08572	2.5
145.06400	1.8
145.10161	8.3
147.08081	8.5
147.11658	7.8
149.09656	2.5
149.13210	5.4
157.10152	4.1
159.11694	5.8
161.13229	3.2
163.03958	2.1
163.11169	2.1
165.09116	16.7
171.11691	4.1
173.13281	3.9
177.09184	2.0
183.10266	2.4
184.07365	8.7
185.11688	2.1
185.13287	1.9
199.09631	2.9
206.48415	2.0
236.14882	2.3
239.10498	3.5
239.12798	58.6
243.21170	3.3
257.13980	2.2
261.22147	8.0
287.23563	2.4
307.22687	3.8
309.23517	1.9
317.24741	2.4
335.21637	2.2
335.25775	43.5
363.25360	2.5
407.24359	2.7
407.29449	6.1
425.30469	5.3
466.69232	1.9
499.34180	33.9
517.35284	30.9
535.35724	6.9
733.37714	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	732.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.5
52.42097	0.2
53.03949	1.0
59.04995	0.6
65.33052	0.2
67.05516	0.5
69.35842	1.6
73.02947	0.2
73.06548	0.4
74.86697	0.2
77.03958	0.6
79.05499	5.5
81.03418	0.3
81.07077	0.5
81.47507	0.2
87.04478	3.9
89.06037	25.1
90.06348	0.2
91.05483	2.5
93.06676	0.2
93.07076	1.6
95.04979	1.3
95.08617	0.4
98.20763	0.4
103.05473	5.0
105.07038	100.0
106.07370	1.0
107.07066	0.3
117.07031	0.5
117.09173	0.3
119.04958	0.5
119.08604	0.9
121.06513	8.7
121.10155	0.3
129.07004	0.7
130.08650	0.5
131.07085	1.1
131.08562	3.1
133.08612	17.3
133.10228	0.5
135.08037	0.3
145.06526	0.3
147.08058	2.0
149.09628	0.7
165.07025	0.3
165.09109	2.3
166.07751	0.6
169.10152	0.3
173.09648	0.4
175.09688	0.5
177.11226	6.3
177.12714	0.4
179.08482	0.3
184.07350	0.3
191.10681	0.3
193.12234	0.4
197.09746	0.3
209.11722	0.6
209.13362	0.7
211.13264	0.4
221.13857	1.2
223.11211	0.8
225.12753	5.0
227.12996	0.3
236.14926	0.6
244.87616	0.2
251.14319	5.1
251.16762	0.4
253.16187	1.0
265.16501	0.6
269.15424	3.5
271.15375	0.3
283.17599	0.3
295.17020	0.7
297.16949	0.2
313.17984	2.0
315.18079	0.9
327.17468	0.8
329.19012	3.5
357.20782	0.3
359.20731	0.5
373.21600	2.0
401.23166	0.3
403.23328	4.5
417.24255	0.3
419.24323	0.9
451.30786	0.2
463.27115	1.1
477.27853	0.9
477.34372	0.4
507.29581	11.4
508.29755	0.5
611.35895	2.2
720.47235	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.1
53.03952	7.6
55.01874	7.4
55.05518	2.3
57.03437	6.0
58.60257	0.8
59.99116	5.4
61.02933	6.6
65.59077	1.1
68.99808	3.9
69.03435	31.2
69.84505	3.2
69.84920	2.1
71.01369	1.1
71.04997	3.6
72.08168	1.4
73.02914	6.5
73.06567	8.7
79.05489	2.9
81.03424	27.3
83.04970	1.4
85.02913	100.0
85.84051	0.9
86.06062	5.1
87.00837	24.0
87.04488	1.6
91.03964	1.8
95.04965	1.3
97.02899	32.9
99.04472	13.0
102.99683	1.4
103.03973	1.7
104.34926	1.0
105.01875	39.1
106.06565	87.3
107.06903	1.1
109.02892	34.5
115.03963	1.3
115.08752	1.2
117.01887	2.1
120.42411	0.9
125.02435	1.4
127.03932	64.4
129.01863	6.2
132.04802	21.6
134.06023	7.5
142.85696	1.0
145.05031	34.5
147.02914	5.7
151.03955	1.3
157.13399	5.8
159.02905	17.3
171.02950	1.4
175.05391	1.4
175.72461	0.9
177.03937	1.6
181.04996	1.3
187.06079	1.3
189.04018	3.4
191.11856	5.5
205.07156	1.3
208.05397	3.8
213.03969	4.4
217.10060	11.5
231.05017	35.8
238.13765	1.0
246.87622	0.9
247.08202	1.2
249.06107	16.2
250.10126	9.0
253.07164	1.1
262.93204	0.9
271.08267	1.3
273.05969	0.8
280.11130	2.8
308.04236	1.0
319.56174	1.2
380.10147	10.8
393.09842	2.4
463.04037	0.9
465.15512	5.2
627.20874	6.3
732.26379	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	732.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.0
53.03946	8.2
55.01878	8.1
55.05515	5.8
57.03441	6.0
59.99129	4.8
60.10231	0.8
61.02934	6.5
68.99796	2.9
69.03433	36.1
71.01344	0.9
71.05001	4.4
71.49024	0.9
72.08157	4.1
73.02917	5.9
73.06557	40.8
77.03937	1.0
79.05486	3.8
81.02936	1.7
81.03420	31.9
83.01331	1.8
85.02908	100.0
85.07677	1.6
86.06075	5.0
87.00831	32.7
87.01361	1.8
91.03979	1.9
91.05491	0.8
93.07052	1.0
95.04966	1.8
97.02895	31.8
99.04462	14.7
102.03757	1.2
102.99661	1.2
103.03918	1.6
105.01870	45.3
106.06559	97.7
109.02135	1.8
109.02885	36.2
115.03934	1.7
115.08689	3.0
117.01836	4.8
119.08553	1.1
122.09702	3.7
124.11230	1.2
127.03922	71.7
129.01839	4.5
132.04791	28.0
134.06017	16.7
137.05959	1.2
141.06616	1.3
145.04985	34.2
147.02928	3.8
157.13382	5.9
159.01581	1.0
159.02896	18.1
163.06064	0.8
173.02209	0.8
175.05389	3.9
176.10605	1.0
177.03944	1.2
189.03920	2.3
191.11781	12.5
205.07048	1.8
208.05441	5.2
213.03938	6.6
217.10068	53.5
231.05006	35.1
249.06033	12.3
250.10069	5.9
253.07034	1.4
271.08093	0.9
280.11044	3.8
317.11417	2.3
319.13095	0.8
322.02533	0.9
322.15906	2.8
375.09274	1.5
393.10190	1.6
440.21793	3.7
466.19647	3.4
490.27521	1.2
567.23486	1.0
627.20599	4.4
732.25867	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	732.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97038	0.8
53.03953	7.6
53.56999	1.0
55.01874	8.4
55.05516	9.1
57.03446	5.2
58.26188	0.8
59.99123	5.8
60.47728	0.7
61.02927	6.0
61.55406	0.8
68.99781	3.7
69.03435	37.2
69.35636	5.2
69.36040	2.3
71.01352	0.8
71.04997	4.9
72.08150	4.6
73.02911	5.9
73.06560	65.8
79.05484	3.7
81.03423	34.1
83.01338	1.0
85.02911	100.0
85.07657	1.4
86.06039	2.4
87.00835	33.8
87.03043	0.9
87.04482	1.6
91.03952	1.6
95.04969	0.9
97.02901	33.1
98.20776	1.9
99.04462	15.5
101.02407	2.1
102.03776	1.4
102.99678	1.5
103.03982	1.2
105.01878	47.7
105.04531	1.1
106.06564	76.7
109.02889	39.7
111.04432	1.3
114.03674	1.0
115.03922	1.7
115.08716	4.7
115.95667	0.8
117.01871	2.6
117.88023	1.2
127.03928	75.9
128.04303	1.1
129.01849	4.1
132.04799	40.9
134.06020	10.4
141.06602	1.3
145.04988	38.8
147.02899	2.9
157.13368	16.6
159.02902	17.9
171.02841	0.9
175.05394	4.2
177.03920	1.7
187.05988	1.7
189.03909	2.9
191.11823	9.9
205.07060	1.0
208.05351	5.3
213.03976	5.9
217.10072	71.3
218.10324	1.4
231.05016	38.8
249.06075	18.4
250.10103	3.9
253.06999	2.1
271.08182	1.5
273.06067	1.1
280.11209	4.9
294.10196	1.1
322.15771	2.0
357.08127	1.9
375.09213	1.9
393.10336	3.3
407.39111	0.9
411.11215	1.1
523.82727	0.9
567.24133	1.8
627.20691	4.5
732.26520	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
60.78872	0.3
67.05511	0.4
69.07045	0.4
69.49053	0.9
69.49474	0.6
74.13097	0.2
74.25380	0.2
79.05506	0.3
91.05473	0.6
96.08141	0.3
97.06538	1.3
97.07079	0.2
105.07052	0.3
117.07014	2.8
119.04947	0.4
119.08600	1.3
124.07582	0.5
131.08571	0.6
133.06512	0.3
137.05945	1.4
142.60828	0.2
143.08574	0.9
145.06490	0.6
145.10107	0.8
147.08032	0.3
155.08562	1.8
157.10022	0.3
173.06012	3.0
181.10115	0.2
182.10916	0.4
183.11682	0.7
188.10732	0.7
190.08612	0.2
196.07607	0.3
197.13248	1.6
207.11687	0.7
214.15891	0.5
216.10205	29.5
217.10468	0.3
225.12788	1.0
228.10156	0.3
233.11763	0.8
242.15350	0.5
250.14383	1.0
252.13902	0.3
253.12209	2.1
270.14896	20.2
271.15311	0.3
302.17508	100.0
303.17783	2.1
612.48340	0.3
713.65723	0.2
730.38550	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.5623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	1.3
55.05514	4.4
57.03437	5.3
57.07074	4.2
58.06314	1.9
58.06604	37.4
59.05002	9.7
59.07387	11.2
60.08164	11.1
67.05505	10.3
69.07065	5.0
71.08630	2.2
75.04491	1.6
79.05487	4.9
81.07051	10.6
83.08652	1.5
85.02923	1.7
85.10201	1.4
87.04487	4.0
89.06042	4.3
91.05473	5.3
93.07059	7.1
95.08595	7.2
98.21555	1.7
102.05551	2.0
105.07062	3.8
107.08612	3.4
108.14607	1.1
109.10175	2.0
113.00052	2.1
113.06022	1.4
117.09171	1.8
119.08601	2.1
121.10177	2.1
131.07037	1.2
131.08578	1.3
144.10208	16.8
144.11244	1.5
157.10141	1.4
162.11314	4.2
218.13838	1.6
236.14944	100.0
249.47334	1.0
282.05984	1.0
368.30484	1.1
408.34506	1.3
446.60553	1.1
450.32156	1.2
452.33786	3.9
468.33209	3.0
470.34775	15.8
478.35651	3.0
496.36270	4.5
573.48987	2.6
601.52045	3.1
619.47589	1.6
696.96320	1.1
730.56165	99.5
731.56555	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	730.5678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
55.05513	4.2
57.03432	0.8
57.07079	30.4
59.05001	3.1
67.05511	6.7
69.07073	6.1
69.09006	0.5
69.51692	1.2
69.52103	2.2
71.08634	29.0
71.53398	0.4
73.02910	0.8
73.06561	10.2
75.15703	0.5
78.27181	0.5
79.05510	3.4
79.63316	0.5
81.07053	6.9
83.08617	6.2
85.09662	1.0
85.10187	20.1
87.04476	8.6
89.06036	100.0
90.06362	0.5
91.05470	3.1
91.07628	1.1
93.07039	3.1
95.04958	0.8
95.08602	6.5
97.06522	0.9
97.10171	6.7
98.21506	0.6
99.11720	3.0
101.06002	0.8
102.22295	0.6
105.07030	1.6
107.07081	1.6
107.08595	2.3
109.10158	3.3
111.08095	1.0
111.11725	4.1
113.06036	0.6
113.13304	1.5
117.09142	8.5
119.04995	1.0
119.08595	1.7
121.10138	3.3
123.11745	1.2
125.13282	2.0
127.14851	1.1
129.06958	0.8
130.08661	1.2
131.07079	3.4
131.08615	1.3
133.08612	51.7
133.10219	1.7
135.10181	1.2
135.11716	2.0
136.12035	0.6
137.13271	0.6
139.14842	1.0
141.16411	1.1
147.04420	4.6
147.11635	0.6
149.09578	0.5
149.12189	0.5
149.13322	1.6
155.17978	1.2
159.11790	0.7
161.11760	2.2
162.19560	0.6
163.14742	0.5
166.07782	0.5
175.09718	2.2
177.11226	20.6
205.30415	0.5
211.24361	1.9
215.17989	1.8
221.13864	4.8
233.19109	0.6
239.14983	0.9
245.22745	0.6
251.20070	7.1
255.26968	2.3
263.23798	1.9
265.16574	1.0
267.18250	0.6
269.21246	2.1
283.17575	1.2
299.29449	5.9
309.19159	0.7
313.27521	0.7
336.93771	0.5
343.32233	3.1
390.69229	0.6
405.35785	0.6
503.30920	1.6
601.52118	0.7
713.53589	2.3
730.56787	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	730.5247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
55.05505	5.5
57.03428	2.2
57.07074	2.1
57.29176	1.0
58.06593	2.1
59.05004	9.9
66.63981	1.1
67.05507	30.2
69.07079	6.7
69.18196	2.0
69.18613	9.0
71.08614	1.4
79.05501	15.9
81.06596	1.7
81.07059	28.1
83.08619	8.7
85.06557	1.7
89.06055	2.1
91.05478	13.8
93.07049	20.8
95.04993	1.2
95.08611	33.5
97.06528	6.6
97.10197	2.8
99.08069	3.2
105.07066	6.5
105.07658	1.7
107.08588	11.7
109.10164	13.8
111.08067	5.5
117.09113	2.2
119.04933	4.9
119.08595	5.0
120.08979	1.1
121.09337	1.9
121.10154	28.6
123.11753	5.8
125.09605	1.3
131.08560	2.8
133.10124	12.0
135.11688	28.7
135.12717	1.6
137.09621	2.2
137.13217	2.7
139.11189	2.6
145.10153	3.6
147.04420	36.6
147.11682	2.6
149.13304	6.5
151.11177	4.2
154.32420	1.3
159.11723	2.2
165.05464	6.6
173.13214	1.8
175.14932	1.3
187.14700	1.5
215.17981	13.4
217.19525	4.5
233.19034	8.4
235.20587	23.8
236.14952	4.2
251.20073	100.0
252.20398	3.6
253.21658	7.3
269.21136	25.6
301.63925	1.0
352.64520	1.2
680.49316	1.8
685.77545	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.5254
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80198	1.4
53.03946	1.5
53.22483	1.3
55.05511	11.2
57.03421	2.7
57.07080	17.8
59.05008	12.3
59.80165	1.4
62.48185	1.2
65.03925	1.6
67.05509	50.9
69.07064	11.0
69.79455	4.8
69.79868	2.9
71.04964	1.6
71.08638	16.8
73.06558	4.2
79.05066	2.4
79.05493	23.1
81.07061	60.0
83.08620	16.5
85.06513	3.0
85.10185	10.2
87.04457	5.7
89.05494	2.5
89.06036	48.8
91.05490	18.5
93.07047	27.7
95.04993	1.7
95.08614	58.4
97.06526	10.5
97.10174	7.3
97.24071	1.7
99.08072	3.1
99.11707	1.7
101.06006	1.6
105.07038	7.7
107.08610	14.5
109.10165	24.9
111.08073	10.3
111.11719	2.6
113.33785	1.3
117.06993	2.8
117.09127	5.9
119.04947	11.6
119.08587	8.6
121.10165	31.4
123.11732	9.5
125.09592	2.5
131.07039	2.6
131.08559	4.6
133.08606	26.9
133.10132	18.3
134.98186	1.3
135.10684	2.2
135.11687	21.1
137.09644	2.3
137.13257	4.0
145.10112	3.6
147.04425	51.5
147.11707	4.1
149.13261	13.4
151.11208	3.3
155.10722	1.8
159.11652	3.0
161.13237	1.8
163.14803	5.8
165.05499	7.7
173.13272	1.9
177.11232	9.7
184.07356	3.2
185.15472	1.4
187.14809	2.8
191.17766	1.5
202.39278	1.3
207.03299	1.6
209.15381	1.3
215.17934	12.0
233.16939	1.6
233.19051	11.5
245.22598	2.7
251.20079	100.0
252.20366	2.9
263.23749	26.0
269.21133	23.8
279.23224	3.9
281.24829	6.8
299.29391	1.6
313.27139	1.4
618.44855	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.2
54.67472	2.4
55.01863	8.5
55.05512	26.5
57.03442	21.2
57.07067	5.6
61.02925	6.0
65.03933	4.6
67.05508	81.2
69.03428	4.3
69.07073	21.8
70.73924	5.9
71.04986	8.3
73.02931	3.2
74.94142	1.9
79.05497	86.0
81.03410	9.7
81.06595	3.8
81.07060	68.5
83.04978	20.7
83.08610	13.1
85.02921	10.5
85.06547	4.1
86.09696	3.2
89.05995	3.3
91.03969	2.5
91.05484	51.4
93.07043	77.7
95.04973	14.8
95.08611	45.0
97.02891	8.9
97.06534	11.4
97.10146	5.0
99.04462	4.3
99.08135	2.8
103.05442	3.7
105.07028	35.1
107.04951	11.0
107.08592	36.0
109.02879	2.7
109.06509	8.8
109.10155	25.6
111.04446	16.0
111.08036	5.9
113.09757	2.2
115.05465	3.2
115.07520	2.1
117.07030	23.0
119.08582	27.6
121.06519	6.1
121.10153	29.9
123.08102	2.8
123.11710	6.6
125.00010	3.4
125.09669	4.9
129.05452	2.1
129.07021	7.3
130.07846	3.0
131.08588	18.8
133.06496	3.4
133.10152	30.4
135.08073	12.1
135.11708	35.7
137.09641	4.9
139.11197	2.8
143.08585	6.2
145.06462	6.9
145.10132	28.9
147.08006	4.3
147.11658	13.7
149.09618	9.0
149.13301	10.2
151.11166	4.6
153.12769	2.0
155.08533	3.0
157.10143	6.5
159.11696	13.0
161.09676	3.1
161.13216	4.6
163.07587	2.6
163.11209	18.1
169.10150	3.7
171.11699	6.1
173.09581	6.7
173.13298	6.2
175.11203	2.8
183.11702	3.1
184.07344	14.8
185.09540	2.3
185.13266	4.1
187.11153	2.2
187.14853	3.5
189.12860	2.9
191.10670	8.4
195.11731	3.1
203.14357	2.2
209.11691	25.9
213.16386	5.0
215.17964	19.8
227.12726	8.1
233.19087	18.6
245.19049	7.6
253.14377	5.0
255.12361	4.1
259.20279	3.5
273.13388	4.5
281.84637	2.5
283.15411	82.7
287.20148	3.2
299.14868	3.0
301.16357	4.8
305.21039	6.1
307.22684	99.1
308.23059	3.5
335.25842	6.6
387.26385	4.1
395.29688	3.4
405.27911	8.8
420.29144	2.3
423.28958	16.7
441.29999	4.6
460.18289	2.3
497.32462	18.7
515.33752	100.0
516.33820	3.5
533.34821	22.4
735.34924	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	730.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51788	1.3
53.03959	7.3
55.01868	12.0
55.05518	24.0
57.03440	22.2
57.07075	6.1
59.05013	3.2
61.02920	6.4
65.03927	3.3
67.05508	76.8
69.03439	3.1
69.07068	17.3
71.01357	4.1
71.05003	6.5
71.49205	2.3
73.02926	1.6
77.03963	2.1
79.05498	84.1
81.03424	26.5
81.07062	68.4
83.01334	3.3
83.04985	17.4
83.08625	14.0
85.02904	14.9
85.06553	3.8
86.09726	5.6
87.04465	1.9
89.06034	7.4
91.03974	2.4
91.05485	48.8
93.07048	100.0
95.04981	12.2
95.08611	45.8
97.02904	14.7
97.06544	12.2
97.10174	4.6
99.04428	2.8
99.08118	2.9
103.03888	1.5
103.05464	3.6
105.04524	2.6
105.07035	40.5
105.84837	1.6
107.04958	13.8
107.08599	36.7
109.06531	6.1
109.10158	22.5
110.81843	1.6
111.04440	10.7
111.08089	6.5
113.09714	2.4
115.05515	1.6
117.07037	18.1
119.08585	22.3
121.06521	6.6
121.10150	41.5
123.08093	5.3
123.11723	5.0
125.00034	2.7
125.09654	4.0
129.07018	4.4
130.07814	2.4
131.08572	20.0
132.52148	1.5
133.08615	5.0
133.09172	1.4
133.10132	18.7
135.08063	6.4
135.11696	38.6
137.06017	1.5
137.09654	3.2
139.11284	1.7
143.08578	3.7
145.10129	30.1
147.08086	3.9
147.11696	7.9
149.02249	2.2
149.09631	5.0
149.13269	10.0
153.12740	15.8
155.08577	4.2
159.11745	8.6
161.13318	2.7
163.07646	1.9
163.11186	33.7
164.38531	1.6
171.11661	2.7
173.09619	6.0
173.13271	6.1
175.11249	2.0
181.08751	1.7
181.12262	8.7
184.07368	11.9
191.10643	11.9
205.19536	1.8
209.11726	28.9
215.17963	20.8
227.12801	19.2
233.18962	16.2
249.12840	1.6
249.33975	1.6
258.58749	1.5
261.22186	1.6
265.14377	6.0
267.15927	2.6
269.98859	1.4
271.20654	1.5
273.13339	2.7
283.15414	33.3
284.29474	2.7
301.16479	62.4
307.22684	98.8
308.23096	3.9
335.25903	5.4
395.29398	1.3
405.22433	2.9
405.27893	3.9
423.28922	2.9
441.30084	3.3
450.42325	1.8
497.32516	9.5
515.33728	50.1
516.34003	2.9
533.34796	90.1
534.35095	4.6
609.33820	2.6
730.40894	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	730.438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.0
55.01879	10.4
55.05513	20.3
57.03441	23.9
57.07079	3.1
59.04993	2.8
60.59068	1.7
61.02919	8.7
65.03936	3.9
67.05510	86.4
68.42296	1.8
69.03416	5.5
69.07072	16.9
69.25613	4.8
69.26026	13.8
71.04984	7.7
72.34627	1.9
73.49307	1.9
79.05497	93.1
81.03421	31.5
81.07060	87.6
83.04980	5.4
83.08640	10.6
85.02480	2.1
85.02908	17.1
86.69209	1.8
87.04474	7.5
89.06030	5.4
91.05486	58.8
93.07047	77.3
95.04945	9.2
95.08611	54.1
97.02891	10.7
97.06532	14.0
97.10184	3.8
99.08071	2.4
103.03957	19.6
103.05450	3.2
105.04559	2.1
105.06320	2.6
105.07037	59.5
107.04959	15.8
107.08599	65.4
109.06506	9.8
109.10162	22.2
111.04456	3.8
111.08067	5.8
115.05476	6.0
117.07025	46.2
119.04963	1.7
119.07202	1.9
119.08607	19.6
121.06513	15.1
121.10146	28.3
123.08067	5.7
123.11715	9.7
125.09626	8.4
127.03903	4.0
129.07002	4.1
131.08554	16.3
133.06534	2.3
133.08585	3.5
133.10121	15.3
135.08060	78.3
135.11676	20.1
137.05962	7.7
137.09575	2.5
139.07547	4.9
145.06470	5.3
145.10114	11.1
147.06577	2.1
147.08025	7.4
147.11681	11.7
149.09634	2.3
149.13277	9.6
151.07578	3.1
151.11224	3.1
153.09131	8.8
157.06529	2.5
159.11691	10.2
161.13251	8.9
163.07555	70.1
163.14815	6.2
165.09071	2.7
171.11708	2.2
173.13255	9.2
175.14713	2.8
181.08620	25.3
181.10086	3.8
184.07358	7.2
185.13225	2.3
187.14853	6.6
192.77493	2.2
199.09656	6.9
201.16365	2.0
225.12929	4.1
235.11702	2.5
243.21028	9.4
255.12288	69.8
259.20557	4.5
261.22174	26.4
273.13330	36.3
273.22058	2.3
307.22574	5.9
317.24689	3.3
333.24094	4.5
335.25803	100.0
336.26266	2.4
377.28082	2.1
395.29333	3.2
405.27863	8.0
423.28989	14.3
441.29922	7.6
497.32672	15.3
515.33752	56.9
533.34821	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.4929
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84923	2.2
53.03947	12.1
55.01864	3.6
55.05512	30.5
56.90944	2.0
57.03433	14.2
57.07069	10.8
59.04992	11.5
65.03926	4.0
67.05505	100.0
69.03429	14.2
69.06740	2.0
69.07073	25.1
71.04980	8.4
71.08615	6.8
71.49834	3.2
72.96592	2.0
73.02907	3.6
79.05495	90.2
81.03417	24.6
81.07055	93.8
83.04976	7.7
83.08618	13.9
85.02891	14.2
85.06536	6.2
85.10181	5.4
87.04465	16.0
89.06015	15.3
91.04897	3.9
91.05479	60.2
93.07042	97.7
95.04988	10.2
95.08607	63.5
97.02887	9.9
97.06523	7.4
97.10162	5.6
99.04417	3.3
99.08077	3.5
101.06026	2.3
103.03934	7.2
105.04517	3.1
105.06402	3.4
105.07030	39.9
107.04963	6.0
107.08598	43.7
109.02869	8.6
109.06509	4.8
109.10146	24.4
110.83974	2.1
111.04462	3.2
113.00014	4.5
117.07031	19.8
117.09105	3.1
119.08599	31.5
121.06514	3.4
121.10149	47.3
123.08096	3.7
123.11688	11.4
127.03909	9.2
129.05490	4.7
129.06987	6.9
131.08571	24.3
133.06468	3.5
133.08578	9.0
133.10124	25.8
134.12648	2.4
135.08073	4.0
135.11696	28.7
137.13245	3.9
141.06944	2.2
143.08556	6.2
145.04970	2.5
145.10121	20.6
147.08012	2.5
147.11659	12.7
149.09622	3.4
149.13252	15.0
151.11160	2.6
157.10127	5.9
159.11693	16.1
161.09607	3.4
161.13239	11.6
163.11241	3.8
163.14813	6.0
171.11674	7.3
173.13264	15.9
175.14735	2.6
183.06544	5.7
183.11574	2.7
185.13231	4.2
187.11102	2.7
187.14832	5.7
189.12651	2.7
195.84198	2.5
199.14783	2.3
215.17903	10.0
222.88092	2.2
233.19078	3.9
243.21103	6.7
259.20612	4.7
261.22180	21.2
277.21646	2.7
289.21631	2.7
307.22696	48.3
335.22153	7.7
335.25641	4.2
345.64273	2.4
369.24173	2.7
405.26248	4.6
415.24875	2.2
567.44196	4.4
600.50391	5.9
617.44348	4.5
729.48438	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	728.5458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.9
55.01853	0.9
55.05510	3.0
55.55022	0.4
57.03443	5.9
57.07045	1.6
57.40992	0.5
58.06601	38.7
59.07383	9.9
60.08164	10.5
65.03913	0.5
67.05510	7.9
69.07069	3.0
69.14953	5.4
71.08596	1.9
73.02891	1.1
73.06553	0.5
75.04479	2.5
75.73924	0.5
79.05499	7.9
81.07059	5.8
83.04948	0.8
83.08576	1.5
84.08131	1.1
85.02875	1.7
85.10148	1.1
87.04465	5.5
89.06042	3.4
91.05490	4.4
92.57951	0.6
93.07031	7.3
95.04947	0.7
95.08604	3.5
97.06464	0.6
99.08085	0.6
103.05418	0.7
105.05482	0.6
105.07021	3.1
105.20211	0.4
107.08573	2.1
109.06512	0.6
109.10117	1.6
112.99987	1.2
113.05956	1.6
119.08536	1.8
121.10121	2.2
129.05548	0.5
130.08618	0.8
131.07025	1.6
131.08551	1.3
133.08601	0.9
133.10141	1.1
135.11678	0.9
144.10205	14.1
145.10167	1.1
147.11667	0.8
149.35727	0.5
161.13245	0.6
162.11278	4.8
173.13174	0.6
200.12775	0.7
218.13922	1.6
225.69228	0.5
236.14928	100.0
237.15236	1.4
241.47794	0.5
313.27518	0.7
321.03214	0.5
406.33041	0.6
450.32108	5.5
464.57690	0.5
468.33221	18.6
477.75250	0.5
478.35272	3.4
496.36389	7.4
573.48926	0.6
599.50580	1.7
728.54559	95.6
729.54907	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	728.4216
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.3
53.00297	2.9
53.03954	3.4
55.01876	6.1
55.05272	1.0
55.05513	10.4
57.03436	13.6
57.07067	2.1
61.02933	4.5
65.03936	1.9
67.05505	46.0
69.03417	2.2
69.07066	8.7
71.01352	1.1
71.05000	1.5
73.02914	3.0
79.05494	71.7
81.03419	2.2
81.07057	40.7
83.04977	2.0
83.08616	4.3
85.02905	4.9
85.06551	2.0
85.11012	0.6
86.09726	1.2
90.32980	0.6
91.03970	1.6
91.04903	1.4
91.05480	33.3
93.07047	34.8
95.04974	4.6
95.08609	33.0
97.02870	2.9
97.03469	0.8
97.06523	2.9
97.10207	1.3
98.20699	1.6
99.00812	13.1
99.08086	1.4
103.05460	2.2
105.07031	100.0
106.07327	1.0
107.04958	4.4
107.08592	26.3
109.02862	1.5
109.06526	2.4
109.10158	13.1
111.08083	1.0
115.03898	0.8
115.05462	3.9
117.07030	5.3
119.06116	0.8
119.08567	9.4
121.03036	0.7
121.06577	0.6
121.10143	13.8
123.04462	1.2
123.08060	10.7
123.11711	5.1
124.99972	0.7
125.09643	1.2
128.06229	0.8
129.07008	1.4
131.08560	8.3
133.06494	34.2
133.10126	10.6
135.04427	2.4
135.08049	3.6
135.11702	10.5
137.06020	1.0
137.09595	0.8
137.13292	1.5
139.11185	0.9
143.08539	1.7
145.10132	5.2
147.11691	4.5
149.09641	1.4
149.13275	5.1
151.07550	42.5
151.11194	1.6
153.09067	1.0
155.08508	0.8
157.10146	0.9
159.11667	4.3
161.09656	1.9
161.13243	3.6
163.11229	0.7
163.14851	3.4
173.13269	4.2
175.14850	1.0
177.07855	0.6
177.16426	1.2
179.07083	5.7
179.10674	1.5
183.11620	0.6
184.07372	1.8
184.80119	0.6
187.14832	1.6
197.08096	2.6
200.94019	0.7
201.16263	1.0
215.09203	3.1
215.17996	1.8
233.19020	2.1
241.19685	0.6
243.21103	6.0
253.10777	3.1
259.20663	0.7
261.22141	15.3
262.22653	0.8
271.11761	73.6
272.12045	1.3
277.21756	1.2
279.59305	0.7
279.62302	1.1
299.14926	5.9
307.22656	5.8
315.23322	1.1
317.24802	2.5
335.25806	66.5
336.26157	2.4
384.21509	0.7
393.27866	2.1
395.29523	1.6
411.29160	0.8
421.27386	1.9
429.29861	0.9
439.28638	3.4
457.29758	0.8
485.32571	2.7
495.30984	1.8
503.33710	1.6
513.32080	7.3
531.33197	28.8
532.33710	0.9
549.34241	1.5
649.94836	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	1.0
52.39578	0.7
53.00295	3.5
53.03944	5.0
55.01869	6.2
55.05511	26.1
56.20464	0.7
57.03164	0.9
57.03436	16.6
57.07061	2.3
57.15707	0.7
58.33403	0.8
59.04995	3.4
61.02927	5.5
65.03941	2.2
66.36053	0.7
67.05505	53.4
69.03416	2.8
69.07071	9.4
69.97091	3.6
71.01358	1.3
71.04993	2.5
71.08590	0.9
73.02912	2.2
79.05492	53.3
81.03423	5.3
81.07055	55.2
83.04985	4.7
83.08616	14.2
85.02902	5.8
85.06536	3.6
86.09717	1.0
87.04469	1.4
91.03934	2.2
91.05482	43.5
91.67810	0.9
93.07043	61.3
94.07368	1.0
95.04969	7.9
95.08607	27.6
97.02881	7.1
97.06556	4.8
97.10178	3.1
99.00205	1.4
99.00816	19.6
99.04470	1.1
99.08076	3.2
101.02419	0.8
103.05469	1.5
105.04532	1.4
105.07030	33.2
106.07320	1.0
107.04969	6.3
107.07880	1.4
107.08595	24.6
109.02882	12.0
109.06514	3.0
109.10154	16.6
111.04430	1.2
111.08072	5.6
113.09657	1.1
115.03937	2.8
117.07014	8.9
119.04946	1.7
119.08586	18.6
121.02847	0.9
121.06513	8.1
121.10138	25.0
123.08051	2.0
123.11711	6.8
125.09633	2.3
127.03905	2.3
128.06224	1.7
129.07005	2.6
131.08560	12.6
133.06493	1.8
133.10129	45.8
135.08051	2.0
135.11700	20.9
135.12723	1.2
137.05971	1.1
137.09618	2.4
137.13206	1.0
139.07521	2.8
143.08574	5.5
145.06444	1.2
145.10112	10.3
147.04486	1.0
147.08080	1.1
147.11670	6.6
149.09608	2.3
149.13274	9.8
151.11195	12.4
153.06940	1.1
157.10069	1.6
159.11713	7.3
161.09621	18.0
161.13277	2.4
163.11203	1.8
171.08035	3.1
171.11719	1.6
173.13301	5.5
179.10660	8.1
184.07324	2.1
184.61591	0.8
187.14763	1.6
189.09096	6.7
189.16283	1.0
197.11716	2.3
205.19455	2.4
207.10129	4.1
215.17969	21.8
225.11195	12.8
233.19008	22.9
234.19276	1.0
243.12294	3.3
271.12064	1.0
278.87537	0.8
281.13797	1.8
289.21625	1.0
291.80533	0.9
298.95313	0.8
299.14883	88.7
300.15176	2.4
307.22668	100.0
308.22980	3.0
393.27878	1.5
421.12415	1.0
421.27444	1.8
439.28241	3.6
457.29312	2.2
485.32770	1.6
503.33521	1.1
513.32147	4.6
531.33179	43.2
532.33337	2.4
549.35010	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2079
Annotation	Kaempferol 3-xylosyl-(1->3)-rhamnosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
53.03934	0.2
55.01878	0.3
55.05489	0.3
57.03438	2.4
58.43821	0.1
61.02921	0.7
68.95863	0.1
68.99795	0.4
69.03075	0.3
69.03425	2.3
69.07075	0.2
69.39757	0.6
69.40183	0.5
71.01348	0.5
71.04993	7.3
73.02919	2.4
75.04474	0.5
81.03404	0.6
82.01980	0.2
83.04990	1.9
85.02906	12.6
87.04473	0.4
91.03917	0.2
94.83376	0.2
95.04971	0.2
97.02894	3.2
97.06528	0.2
99.04478	0.4
105.03400	0.2
109.02869	0.5
111.00787	0.6
111.04421	1.1
113.02356	0.2
115.03930	1.7
121.02875	1.9
127.03889	0.9
129.05479	3.5
133.02859	0.3
135.04408	0.3
137.02309	0.6
137.05942	0.2
145.04935	0.8
147.04440	0.4
147.06534	1.5
153.01817	2.0
157.04994	0.3
157.06369	0.2
163.03915	0.2
165.01794	1.2
171.04437	0.2
171.06612	0.2
183.02840	0.5
185.05962	0.3
198.61295	0.2
213.05394	1.0
225.07640	0.9
231.06537	0.4
233.11743	0.2
241.04950	0.7
241.23547	0.2
243.08662	0.3
258.05273	0.6
274.28287	0.2
287.05499	100.0
288.05817	1.9
299.05444	0.4
329.06564	0.8
340.54449	0.2
353.06424	0.2
356.82013	0.2
383.07437	0.2
431.09607	0.3
449.10959	1.8
567.53339	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05482	0.5
57.07067	0.7
59.04996	1.2
59.85874	0.3
67.05501	1.2
69.07063	0.4
69.65366	1.8
71.08644	0.5
79.05490	1.4
81.07059	1.0
87.04482	0.4
89.06031	0.5
91.05486	1.2
93.07051	0.9
95.04965	0.7
95.08594	1.2
103.02794	0.4
105.07018	1.9
107.08583	0.4
109.10184	0.3
111.98914	0.3
117.07040	0.5
119.08591	0.6
121.10187	0.6
129.07036	0.5
131.08659	0.5
133.06502	0.3
135.11662	0.4
139.08806	0.3
149.13414	0.3
176.21698	0.3
184.07463	0.3
213.63681	0.3
219.95354	0.3
236.14972	0.4
275.19928	1.0
291.19330	3.1
293.20847	0.9
313.27451	0.5
471.23553	2.8
473.25162	0.9
545.41803	5.6
553.67987	0.4
563.42029	0.3
613.47211	0.4
620.52325	0.3
725.45929	100.0
726.46344	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	726.4428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	10.2
55.01866	6.8
55.05283	2.5
55.05516	35.2
57.03440	20.1
57.07065	6.3
58.06603	3.8
59.04984	8.2
61.02903	8.6
65.03927	5.8
67.05508	100.0
69.03412	9.9
69.06743	2.5
69.07074	29.1
71.04977	7.1
71.10149	4.8
73.02886	3.9
79.05496	98.6
81.03430	18.7
81.06606	5.7
81.07060	85.9
81.79826	2.4
83.04961	9.6
83.08620	17.9
85.02908	12.4
85.06524	4.5
86.09681	11.7
89.06018	8.0
91.03963	4.3
91.05483	59.9
93.07050	90.6
95.04978	29.0
95.08071	4.1
95.08615	52.0
97.02891	8.8
97.06512	7.2
97.10168	19.2
99.04436	4.4
99.08108	3.7
105.04556	3.0
105.07034	37.7
106.07281	2.9
107.04946	11.6
107.08603	47.1
109.06525	4.8
109.10159	35.6
111.08083	6.4
115.05431	3.5
117.07021	25.8
117.09161	2.9
119.08578	23.3
121.06487	9.4
121.10154	40.6
123.08068	4.7
123.11704	5.8
124.99982	11.2
125.09677	15.1
129.07039	5.6
131.08586	24.0
133.10135	18.9
135.08058	12.3
135.11682	22.9
141.06947	6.0
143.08514	4.3
145.06448	3.1
145.10091	17.0
147.11685	14.8
149.09583	3.1
149.13269	12.0
151.11234	4.8
157.10037	5.4
159.11679	19.8
161.13266	5.1
163.07486	6.3
163.11194	3.1
169.10130	4.1
171.11636	5.4
173.13295	6.2
177.12704	8.3
184.07350	32.4
185.07822	4.3
185.13239	2.6
186.07686	4.6
187.11192	3.4
189.11249	13.2
199.09604	7.2
205.12291	6.2
205.19518	3.2
215.17987	23.8
223.11201	3.6
223.13303	54.7
227.12730	11.0
229.14343	6.7
233.19028	23.5
236.14951	9.4
255.12325	12.6
261.22058	3.4
279.15814	3.5
297.16983	94.5
307.22687	96.1
308.23059	3.8
335.25766	11.2
437.30283	3.7
461.32413	7.4
511.34042	6.1
515.33691	4.8
529.35248	74.5
530.35394	3.7
578.95172	2.8
690.48969	8.7
726.46350	8.4
727.46106	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	725.229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
57.03424	0.4
69.03141	0.2
69.03439	1.3
71.04972	0.2
71.16483	0.3
71.16800	0.3
73.02901	0.3
79.05468	0.2
79.46012	0.2
81.03420	1.9
81.07050	0.2
81.32270	0.2
85.02909	2.7
91.05506	0.2
93.07072	0.2
93.94691	0.2
97.02905	1.6
99.04472	1.9
103.03938	1.3
109.02877	1.0
116.12483	0.2
127.03927	2.9
131.08650	0.2
145.04953	0.8
151.07625	0.3
165.05476	3.3
187.05945	0.2
211.02396	0.3
219.06505	0.2
257.04379	0.3
272.06674	0.4
273.07632	0.3
274.04547	1.0
275.05450	0.4
285.03979	0.8
297.04034	0.3
299.05423	0.3
300.06296	1.7
303.05057	2.2
313.03494	2.3
313.06894	0.3
315.04987	0.8
315.08347	0.5
317.06662	0.3
318.07376	0.4
325.07083	0.4
327.04941	0.6
328.05786	9.8
329.06305	0.4
331.04510	4.0
341.02975	0.4
343.04416	0.3
343.08136	4.0
345.06146	0.6
346.06851	8.4
355.04431	0.4
356.05246	1.2
358.10443	0.3
359.03915	0.5
361.09195	13.0
362.09561	0.3
369.06195	0.4
371.07632	4.9
372.08096	0.2
373.05307	0.5
374.06210	2.2
378.69489	0.2
385.09393	0.3
386.09955	2.7
389.08685	51.6
390.08984	1.7
403.10422	0.7
404.11047	10.8
405.11319	0.6
419.13373	100.0
420.13751	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	723.4442
Annotation	Unknow
Peak:m/z	Relative Intensity
57.25024	0.4
59.04989	0.8
69.54742	1.7
69.55152	0.8
76.05151	0.4
78.55202	0.4
95.04964	0.4
98.21494	0.8
99.64222	0.3
105.07065	0.7
109.47600	0.4
117.41253	0.3
129.93752	0.4
138.56102	0.3
177.33815	0.4
203.03142	1.4
219.32094	0.4
275.19879	1.4
291.19370	3.9
310.59723	0.4
439.88464	0.4
471.23578	4.4
542.50885	0.5
543.40265	8.8
543.48224	0.6
723.44403	100.0
724.44818	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.354
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81123	0.4
53.03955	0.5
55.01869	1.6
57.03443	0.8
62.92360	0.4
65.03938	0.9
67.05504	1.8
69.07071	9.3
71.49126	0.4
75.22940	0.4
79.05502	8.1
90.81641	0.4
91.05484	8.2
94.58210	0.4
97.06535	97.4
98.06866	1.0
107.04904	0.7
109.06542	0.7
119.04939	6.4
133.06508	0.6
133.10095	0.4
135.04437	1.3
137.05986	66.5
138.06310	0.7
147.04404	5.4
149.05992	1.2
149.07213	0.4
163.03978	0.5
163.07584	0.9
177.05536	0.8
189.09135	9.1
191.10710	0.7
215.10713	1.3
233.11739	100.0
234.12106	1.4
250.14395	99.1
251.14693	1.5
255.69437	0.4
346.01965	0.4
431.10284	0.4
514.58936	0.6
584.00049	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.8
57.03426	1.3
57.07074	0.9
59.05006	5.3
61.02918	0.9
67.05498	2.1
69.03422	1.1
69.07064	0.9
71.49320	0.8
74.94388	0.6
79.05486	1.3
80.03591	0.7
81.07060	2.5
83.08625	0.7
85.06546	1.3
85.10161	0.7
85.52462	0.6
87.04452	1.0
87.59693	0.7
89.06048	1.1
90.19331	0.6
91.05482	1.7
91.79418	0.6
93.07036	1.7
93.78726	0.6
95.08620	2.0
100.83549	0.6
105.07043	1.8
107.08578	1.2
109.06564	0.8
109.10161	0.9
115.07567	0.9
117.09165	1.0
119.08587	1.0
130.36343	0.7
131.08577	0.9
133.10158	1.7
135.11714	0.8
236.14961	1.8
237.15408	1.3
249.11116	2.2
265.21658	2.3
266.22049	1.8
467.19116	2.3
559.37714	1.2
691.48865	1.3
723.42499	100.0
724.43262	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	722.4408
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.1
53.03948	7.0
55.01865	1.4
55.05516	10.6
57.03429	3.1
57.07080	54.2
59.05012	1.9
59.99118	5.9
61.02918	1.3
67.05510	20.7
69.03434	37.0
69.07071	12.2
70.73834	1.6
70.74168	1.0
71.04991	4.2
71.08637	42.7
72.08141	3.1
73.02923	1.6
73.06562	11.6
78.97749	0.7
79.05490	5.4
81.03423	59.8
81.06590	1.4
81.07063	27.8
83.08152	1.2
83.08622	17.7
85.02910	29.7
85.06532	0.9
85.07651	1.4
85.10191	21.6
86.06078	5.2
87.04449	1.0
89.06039	2.7
93.07049	1.5
95.04956	1.0
95.07990	0.9
95.08612	36.2
97.02898	52.5
97.10174	7.6
99.04456	12.1
99.08105	0.9
99.11734	1.6
102.00133	1.0
102.99696	1.0
103.07568	1.0
106.06560	77.9
107.08624	0.7
107.77857	0.7
109.02888	32.2
109.10162	17.5
111.11742	2.0
113.13308	0.7
115.08678	2.5
116.07154	0.8
123.11726	5.9
125.13295	1.4
127.03924	59.8
127.14854	0.8
132.04802	13.0
133.08537	0.7
134.05994	6.7
137.13254	3.0
139.14827	1.0
141.06557	0.8
145.05002	44.4
151.14868	1.4
157.13382	9.3
165.16428	0.9
175.05394	3.2
191.11856	4.2
196.45656	0.7
208.05371	4.8
217.10094	14.7
217.12192	1.0
221.22649	2.6
222.04390	0.7
239.23712	51.7
240.24130	1.7
250.10144	5.4
257.24719	5.9
262.43924	0.6
280.11172	5.5
298.27664	1.2
329.26907	1.5
365.26663	1.1
383.27945	100.0
384.28305	2.8
401.29004	63.8
402.29242	1.9
472.36490	0.8
532.33093	1.7
557.41510	1.6
617.38507	11.1
722.44244	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	720.5043
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.6
53.03948	2.2
54.21516	1.0
55.05517	12.0
57.03433	1.3
57.07061	3.5
61.97222	1.1
65.03936	1.6
67.05507	46.7
68.05844	1.3
69.03426	1.5
69.07068	16.7
69.21561	6.7
69.21976	3.7
71.04996	3.7
71.08641	1.9
73.06591	1.5
79.05079	1.7
79.05495	23.1
81.03432	1.6
81.07061	57.6
82.07407	3.4
83.04979	2.3
83.08625	14.1
85.06563	1.5
87.04467	2.2
89.03930	3.5
89.05992	1.4
91.05488	11.0
93.07050	25.5
93.48440	1.3
95.04933	1.5
95.08612	46.2
96.08970	2.0
97.06541	6.4
97.10176	11.4
99.08102	3.2
105.07034	8.8
107.04967	1.6
107.08604	17.3
109.10164	18.1
110.10488	1.7
111.08072	7.3
111.11720	3.6
113.09633	1.3
117.03362	6.8
119.08580	6.5
121.10155	37.5
122.10493	2.1
123.08113	1.4
123.11706	15.6
125.09628	2.6
131.08513	2.0
133.10150	16.1
135.04408	12.3
135.11697	29.8
136.12036	3.4
137.09676	2.4
137.13254	6.6
139.11200	1.8
145.02873	9.5
145.10130	2.9
147.11696	4.8
149.13260	6.6
151.11201	3.6
155.10646	1.6
159.11638	2.0
161.13309	2.9
163.03917	100.0
164.04288	3.3
173.13283	2.3
181.05008	6.3
184.07375	2.3
212.13828	1.2
215.17989	8.6
216.18344	1.4
217.19534	6.6
219.21169	3.2
233.18987	4.9
235.20584	18.8
236.20876	2.5
237.22050	4.6
251.20073	57.1
252.20442	8.2
253.21686	13.4
269.21188	13.3
270.21460	2.5
271.22342	1.5
397.23779	1.5
399.25323	2.1
415.24698	1.3
417.26328	2.0
469.40176	1.5
587.83636	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.49
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	7.4
56.99274	0.3
57.07064	0.3
64.95745	0.3
68.32114	0.3
69.07035	0.6
70.06596	0.8
70.25066	1.0
75.71079	0.4
77.03959	0.3
81.07044	0.5
81.38659	0.3
82.06575	1.9
83.04997	0.9
83.08621	7.6
83.09103	0.3
84.08161	0.6
85.06534	0.4
96.08075	0.4
97.06519	0.8
98.09694	1.1
100.07626	2.9
100.11256	49.3
101.11604	0.4
110.06034	2.4
111.04437	4.5
112.07628	1.5
117.13885	0.7
126.09149	1.1
127.08661	1.6
128.07085	3.0
132.14650	0.3
137.05945	0.3
139.08672	3.2
140.07050	1.1
151.92230	0.3
166.15964	0.6
172.18210	0.3
182.15404	15.9
192.13843	0.5
209.16487	20.9
210.14896	20.4
226.19122	7.2
227.17622	1.8
228.15976	1.2
266.01501	0.3
308.26950	0.9
326.28027	3.8
335.24399	0.8
336.22784	4.5
349.37103	0.3
417.32126	0.7
435.33304	10.3
435.39197	0.6
453.34363	100.0
454.34613	3.1
486.98495	0.4
604.13660	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46700	1.9
53.03954	12.9
55.01864	3.7
55.05244	1.7
55.05511	32.9
57.03431	6.1
57.07072	14.5
59.04995	10.3
59.99099	6.9
62.90214	1.7
65.03944	2.3
67.05505	47.7
69.03431	38.3
69.07070	44.6
69.53757	12.7
71.04992	7.1
71.08616	8.0
72.08157	3.6
73.06559	13.5
79.05492	27.0
81.03419	82.9
81.07056	64.5
83.04976	2.2
83.08150	3.3
83.08617	33.1
85.02909	30.2
85.06539	4.2
85.07667	3.2
86.06054	7.6
87.04473	2.8
89.06039	3.0
91.05473	6.2
93.07048	30.1
95.04980	5.0
95.08605	51.3
97.02298	3.3
97.02893	43.2
97.06521	5.4
97.10176	20.8
99.04450	11.6
99.08052	3.5
102.99711	2.2
105.07028	7.8
106.06553	100.0
107.08588	16.2
109.02890	33.2
109.10159	15.7
111.04440	4.3
111.08092	4.2
111.11700	5.7
119.08563	2.6
121.10160	33.4
123.11739	13.6
125.09631	2.2
127.03919	39.4
128.47928	1.7
129.05402	3.2
131.08575	2.6
132.04791	20.1
133.10146	3.6
134.05984	10.0
135.11682	25.1
137.13255	9.8
139.11221	3.3
145.05054	23.6
147.11685	2.7
149.13217	11.8
157.13353	14.9
163.14867	3.2
170.09116	2.2
175.05373	2.4
191.11771	6.7
208.05431	7.3
217.10068	21.4
217.19533	2.3
219.21074	17.6
235.20544	6.2
236.15007	5.0
237.19833	3.8
237.22128	53.5
250.10036	8.9
250.58067	1.9
255.23216	6.1
277.21631	4.6
279.23251	4.0
280.11237	8.8
295.22742	6.1
303.23169	3.1
317.24631	3.3
321.24274	4.3
327.23175	7.0
331.91556	1.9
333.24197	2.6
335.25757	2.4
345.24246	28.7
363.25317	43.5
381.26364	98.9
382.26648	3.2
390.47348	1.8
399.27377	33.0
429.89633	2.3
509.07117	1.9
615.36798	17.4
720.41833	10.5
720.56689	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	720.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.6
55.01871	6.4
55.05513	18.9
57.03424	9.7
57.07071	13.9
59.04983	6.1
60.86678	2.4
61.02927	43.3
67.05508	64.8
68.05808	3.3
69.03416	10.0
69.07082	20.5
69.25176	7.4
69.25594	15.4
71.04976	3.6
71.08637	5.2
73.02924	18.3
73.06534	2.8
79.05494	56.4
81.03421	6.0
81.06596	4.3
81.07058	73.4
83.04970	7.8
83.08614	14.0
85.02909	47.0
85.06569	14.2
85.10181	5.6
86.09709	6.0
87.04459	15.5
89.06036	2.4
91.03959	38.0
91.05484	83.4
93.06485	4.6
93.07046	69.1
95.04948	7.8
95.08611	53.3
97.02909	23.8
97.06524	11.2
97.10181	5.0
99.04441	3.0
99.08105	4.2
103.03915	2.6
103.05457	3.4
105.04516	3.6
105.07040	74.9
107.04975	3.0
107.08600	38.4
109.02878	3.3
109.06525	4.3
109.10173	19.6
115.05486	2.7
117.07018	32.3
119.08587	57.4
121.10149	40.4
123.11704	8.9
125.05950	2.6
125.09588	3.1
127.03916	14.7
128.06239	5.9
129.05482	7.1
129.07007	22.1
131.08586	41.1
133.10141	47.3
135.08105	11.6
135.11676	20.9
137.09662	2.9
137.13255	7.7
142.07797	4.3
143.08572	20.1
144.36145	3.7
145.04956	16.2
145.10152	26.7
147.08026	5.5
147.11703	23.6
149.09647	12.9
149.13239	7.6
151.14926	3.6
157.10130	18.5
159.11713	13.0
161.09625	10.7
161.13264	19.0
163.06001	27.2
163.11189	5.6
163.14833	11.3
171.11674	29.4
173.13284	8.2
175.11237	8.3
175.14777	13.2
177.16406	8.2
179.10672	2.5
184.07304	14.4
185.13245	26.3
187.14798	5.5
189.12741	10.0
189.16397	21.4
191.17967	7.3
197.13356	3.2
199.14824	10.7
201.16389	7.4
203.14310	6.0
203.17961	36.6
213.16393	7.1
215.18095	2.6
217.15811	4.4
221.15379	5.0
223.13341	3.5
227.17996	5.5
243.21066	6.1
245.22604	17.6
259.20490	3.4
259.24298	10.4
269.22650	80.6
287.23694	100.0
288.24057	4.0
305.24847	13.1
335.25848	3.5
351.56586	2.7
361.27490	15.0
379.28442	47.7
404.55545	3.2
407.62448	2.8
443.86566	2.7
458.65320	2.3
505.52939	2.9
523.32489	8.0
527.94025	2.7
720.38739	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.6
53.51387	0.3
55.01866	0.7
55.05501	1.3
57.03448	2.0
59.05001	0.7
61.02926	5.8
67.05180	0.5
67.05508	4.6
68.05824	0.4
69.03439	2.5
69.07071	0.5
71.05003	0.9
73.02913	4.0
79.05501	4.6
81.03424	2.7
81.07059	5.3
83.05007	0.6
83.08634	0.9
85.02905	6.0
85.81421	0.3
86.09776	0.4
87.04478	1.0
89.06007	1.7
91.03954	3.4
91.05487	3.7
93.07047	4.7
95.04970	1.1
95.08598	2.9
97.02902	4.7
97.06535	0.6
98.20736	0.7
99.04472	0.5
101.02406	1.0
103.03928	0.5
103.05506	0.5
105.07036	5.8
106.07375	0.4
107.08571	1.8
109.02865	0.5
109.06529	0.4
109.10180	1.8
111.04485	0.4
111.08085	0.5
115.03995	0.3
117.07018	0.7
119.08584	1.6
121.06552	0.4
121.10136	2.6
122.21809	0.3
123.08085	0.4
123.11699	0.5
124.99999	0.4
127.03925	1.1
128.38289	0.3
129.07028	0.7
131.08588	1.1
133.06425	0.3
133.08629	1.1
133.10185	1.2
135.11739	0.9
137.09624	0.4
145.05002	0.5
145.10158	0.9
147.08098	0.9
147.11714	0.9
149.09680	0.4
149.13332	0.4
157.10132	0.6
171.11700	0.4
177.11345	0.5
184.07397	1.2
185.04172	0.4
193.12283	0.5
215.18147	0.3
229.02965	0.4
243.08415	1.6
251.12506	0.9
307.22772	1.1
356.97958	0.3
396.22668	0.3
469.20462	3.0
491.26138	8.2
492.27045	0.4
514.65076	0.4
719.39758	100.0
720.40271	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	718.5312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.9
55.05506	3.0
57.03427	1.1
57.07077	29.6
59.05003	5.8
60.08154	2.6
60.70805	0.7
61.02927	0.8
67.05507	5.6
69.07065	2.9
69.14308	8.3
71.07364	1.6
71.08636	24.5
73.02914	1.9
73.06556	9.0
79.05487	2.8
81.03415	1.8
81.07053	4.9
83.04984	0.8
83.08638	3.6
83.82365	0.8
85.02908	1.2
85.10187	17.5
86.09709	12.5
87.04473	11.0
89.06033	100.0
91.05476	3.4
91.07612	1.0
93.07027	3.7
95.04984	1.0
95.08617	4.6
97.10160	3.1
98.98475	1.3
99.11746	3.4
103.07594	1.3
105.07048	1.9
107.07065	1.8
107.08563	1.9
109.10162	1.8
111.11777	1.0
113.13270	1.6
115.07610	0.8
117.09151	9.7
119.08606	2.2
121.10159	2.6
125.00008	7.1
130.08669	2.2
131.07045	3.3
133.08607	52.8
135.10182	1.6
135.11731	2.3
137.13182	1.0
147.11671	1.2
149.13275	0.9
155.17918	4.9
161.11775	1.9
163.03966	2.0
175.09715	2.8
177.11237	19.9
177.12727	1.5
180.14726	0.7
184.07346	33.2
199.20604	3.7
201.11623	0.8
216.90205	0.7
221.13864	4.7
235.20610	0.9
239.14859	1.1
243.23212	7.7
251.20187	4.0
251.22473	0.7
265.16614	1.5
274.18954	0.8
287.25818	3.5
307.22589	0.9
313.27472	1.4
335.25711	1.4
353.21698	0.7
354.69888	0.8
531.14618	0.8
547.33618	1.6
595.97656	0.7
628.46832	0.8
701.50012	1.7
718.38672	6.4
718.52423	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4882
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77593	0.6
53.03944	1.3
53.42155	0.6
53.64507	0.6
55.05273	0.8
55.05513	8.2
57.07058	0.9
65.03924	1.2
67.05505	49.1
69.07070	9.4
71.04978	1.6
79.05492	21.8
81.07056	49.2
81.14142	0.6
83.04967	0.7
83.08621	12.5
85.06538	2.7
89.03907	4.2
91.05482	11.7
92.74448	0.7
93.07046	27.3
95.04945	1.3
95.08608	45.7
96.08933	1.2
97.06517	8.5
97.10188	4.4
99.08076	2.9
105.07031	5.0
107.04980	0.8
107.08591	18.7
109.06517	1.0
109.10155	16.7
111.08091	9.8
113.09642	1.2
117.03357	4.4
117.06953	0.9
119.08578	8.2
121.10146	41.5
123.07949	0.7
123.11723	6.6
125.09628	2.6
131.08560	2.8
133.05713	0.7
133.10126	18.5
135.04428	11.1
135.11697	39.3
136.05887	0.7
137.09625	1.9
137.13251	2.6
139.11163	1.2
145.02859	6.8
145.10098	3.0
147.11658	3.9
149.13277	7.5
151.11243	3.3
155.10654	1.9
159.11696	3.4
161.13231	1.1
163.03911	47.5
169.12196	0.9
173.13274	3.1
175.14772	1.0
181.04990	2.7
181.12352	0.7
187.14854	2.1
195.13844	0.9
213.16400	0.6
215.17946	16.6
217.19499	5.0
233.19017	11.0
235.20576	25.0
249.37415	0.7
251.20068	100.0
252.20493	2.1
253.21658	7.3
269.21109	30.2
413.23474	0.8
454.86749	0.7
533.93835	0.7
542.55988	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.7
55.01884	1.8
55.05512	15.4
57.03198	1.5
57.03438	9.1
57.07077	30.6
59.05010	8.0
63.02342	1.3
65.03949	1.9
67.05508	44.7
69.03407	1.7
69.07070	17.4
71.04993	4.1
71.08636	21.6
72.08963	1.2
79.05495	31.0
81.03409	2.4
81.06590	2.9
81.07059	47.6
81.07536	2.6
81.77561	1.3
83.04983	4.2
83.08618	19.7
85.06535	3.6
85.10183	13.1
87.04489	2.4
89.03925	2.1
89.06024	12.9
90.06396	1.6
91.05471	13.8
93.06485	2.5
93.07048	38.6
95.04956	6.6
95.08614	67.9
95.16580	1.2
97.02912	2.8
97.06534	9.2
97.10170	9.4
98.20776	2.5
99.04476	3.2
99.08110	2.4
103.07605	1.6
105.04485	1.7
105.07028	10.6
107.04961	8.3
107.08598	31.1
108.00616	1.4
109.06520	1.7
109.10164	20.4
111.08088	7.2
111.11728	1.3
113.06023	1.2
117.03405	3.1
117.07016	8.4
117.09158	4.1
119.08562	13.7
121.06529	5.9
121.10148	36.7
123.11735	6.9
124.68405	1.3
125.06029	1.9
125.09647	2.3
130.07823	1.4
131.08551	1.9
133.08606	6.6
133.10121	12.5
134.08827	1.5
135.04419	5.9
135.08099	2.6
135.11697	63.1
135.74774	1.2
136.12077	1.7
137.09654	1.7
137.13249	4.3
139.07527	2.3
139.11209	2.1
143.08607	1.4
144.10258	1.8
145.02878	4.4
145.10139	21.4
147.04382	1.3
147.11674	2.2
149.13281	4.0
151.11169	2.7
159.11717	1.6
163.03906	28.1
163.11186	45.6
163.12553	2.2
177.11235	2.6
181.05058	2.7
181.12225	8.2
215.17931	10.2
217.19481	3.1
227.12794	59.0
229.09818	1.9
230.17181	1.5
233.19006	6.8
235.20535	17.7
237.15494	1.5
251.20073	60.5
252.20547	2.5
253.21640	3.6
257.24887	2.5
269.21112	17.3
283.13004	1.7
283.15399	96.8
313.27377	100.0
314.27808	3.6
447.21976	1.8
475.21161	2.7
521.38416	96.9
522.38660	5.7
531.77112	1.5
535.23199	1.7
622.27997	12.0
668.49988	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.4
55.01872	4.8
55.05511	15.0
57.03440	13.6
57.07079	27.6
59.05011	5.7
61.02924	3.3
63.98609	0.9
67.05508	33.4
69.03421	3.9
69.07066	10.2
70.62823	2.3
71.01370	1.8
71.04987	2.1
71.08633	18.2
73.02903	1.4
73.06551	1.6
79.05491	18.2
81.03419	14.3
81.07056	36.2
83.01334	6.6
83.01726	0.7
83.04983	7.7
83.08620	17.0
85.02915	8.1
85.06558	2.2
85.10181	11.0
86.06070	1.3
87.04449	1.1
89.06057	2.3
91.03969	1.6
91.05482	13.6
91.88480	0.9
93.07048	24.6
95.04980	5.3
95.08611	33.1
97.02917	5.6
97.06537	4.4
97.10175	6.3
99.04461	2.6
99.08094	1.5
103.03962	1.1
103.05481	1.0
103.07602	1.4
105.07022	10.7
106.06548	9.6
107.04964	6.3
107.08601	14.9
109.02861	2.7
109.06528	4.8
109.10158	13.3
111.04462	2.1
111.08089	3.8
111.11726	1.5
113.09683	1.0
117.03380	1.3
117.07008	5.4
119.08586	8.1
121.06521	2.1
121.10136	16.6
123.08076	5.0
123.11695	6.8
125.05977	1.6
127.03892	1.4
129.07024	1.4
131.08606	2.4
132.04849	1.4
133.10144	7.0
135.04413	1.5
135.08037	1.7
135.11699	18.8
137.09608	2.1
137.13222	1.4
139.11165	0.9
145.02844	1.2
145.04950	1.2
145.10127	10.3
147.08026	1.4
147.11710	2.0
149.13266	2.8
151.11182	1.4
153.12743	2.4
155.08588	1.4
157.13371	1.0
159.11780	1.3
161.13260	1.2
163.03900	10.8
163.11172	17.0
173.09633	2.0
181.12297	2.7
191.10687	2.1
209.11752	4.5
215.18002	3.3
217.10089	1.6
217.19553	4.1
227.12807	1.7
233.19057	3.9
235.20587	8.4
239.23715	1.7
251.20071	21.9
257.24866	1.0
269.21091	3.9
280.11124	1.6
283.15402	100.0
313.27368	80.0
343.22720	1.5
361.23849	2.6
379.24945	6.4
397.25891	1.2
521.38409	52.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.5
53.03934	6.7
55.01864	3.1
55.05266	2.6
55.05510	23.7
57.03442	8.8
57.07085	9.6
59.04987	5.5
59.99101	4.0
64.27092	1.3
65.03928	3.9
67.05508	89.3
69.03429	22.1
69.07066	23.0
69.16355	15.8
71.04980	4.8
71.08630	5.2
72.08162	2.2
73.06557	10.6
79.05497	38.7
81.03426	42.3
81.07059	100.0
83.04971	6.1
83.08167	1.7
83.08625	18.7
85.02910	17.6
85.06542	4.8
85.07668	2.1
85.10173	4.9
86.06044	4.1
87.04471	2.0
89.03874	2.3
89.05989	2.1
91.05483	27.0
93.07046	38.1
95.04963	5.0
95.08609	67.4
97.02892	22.8
97.06535	9.5
97.10180	9.9
99.04456	7.1
99.08108	11.9
103.07582	1.5
105.07040	24.4
106.06556	75.4
107.04985	1.7
107.08593	23.8
109.02881	15.5
109.06531	3.4
109.10153	27.6
111.04465	2.8
111.08089	8.1
113.09622	3.7
115.05428	1.7
115.08665	2.9
117.07003	5.3
118.50530	1.7
119.08572	16.6
121.06505	2.5
121.09342	2.9
121.10151	41.6
123.08073	4.1
123.11702	15.0
125.09619	5.4
127.03926	8.8
129.07005	2.8
131.08560	5.7
132.04779	11.6
133.10133	23.1
134.06009	4.6
135.04419	6.7
135.08005	1.7
135.11702	36.7
137.09607	4.2
137.13248	6.6
139.11227	3.5
143.08549	2.3
145.02824	5.9
145.04039	1.7
145.04999	4.7
145.10074	7.4
147.11690	10.9
149.09575	2.6
149.13242	11.5
151.07530	1.5
151.11174	5.8
151.14799	2.6
153.12689	2.9
157.13406	7.1
159.11699	5.2
161.09586	1.8
161.13243	7.5
163.03918	25.2
163.11211	3.6
165.09108	1.7
165.12816	2.4
171.11742	2.2
173.13232	3.2
175.05316	2.3
175.14848	4.3
177.12788	1.8
179.14189	1.5
181.05029	2.5
185.13281	2.2
187.14836	2.5
189.16417	1.8
191.11839	2.6
203.14395	2.0
208.05455	4.2
215.18013	14.2
217.10072	14.3
217.19508	22.4
233.19020	12.5
235.20563	37.9
247.20557	3.2
250.10051	6.0
251.20071	75.6
252.20146	1.5
253.21648	2.9
263.19943	1.8
265.21606	2.8
269.21146	17.2
271.20633	2.0
275.20203	1.6
277.21570	4.8
280.11160	5.4
283.15466	14.6
287.19733	1.7
289.21649	2.4
313.27292	14.2
315.23038	2.6
325.21588	4.5
331.22995	1.6
343.22690	13.5
361.23813	16.1
379.24799	40.8
397.25922	8.5
521.38757	9.1
546.98486	1.5
586.24554	1.5
613.35095	9.0
622.27802	8.6
718.41071	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	717.4571
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12119	0.7
53.03931	1.1
55.01876	0.8
55.05508	5.9
57.03413	1.4
57.07050	1.1
58.06587	2.3
59.04985	2.0
59.07360	1.1
65.03929	1.2
67.05506	36.4
69.07072	8.5
69.80898	3.3
71.04974	1.3
71.08636	1.2
79.05498	19.9
81.03436	0.7
81.07059	33.8
82.67783	0.5
83.04961	1.6
83.08620	12.1
85.06536	1.5
87.04470	0.6
89.03925	3.2
91.05489	11.4
93.07050	21.7
95.04957	1.0
95.08611	33.8
97.05942	0.6
97.06537	10.8
97.10161	2.9
99.08071	2.0
105.07020	7.5
107.04937	1.3
107.08603	14.4
109.06505	1.3
109.10158	16.3
111.08089	11.3
117.03385	2.4
119.08600	6.9
121.10152	25.3
123.08047	1.1
123.11716	6.6
125.09636	2.1
131.08588	3.6
131.25629	0.6
133.10138	17.4
135.04417	7.1
135.11697	18.0
137.09599	3.9
137.13261	2.3
139.11191	1.3
144.10187	1.5
145.02870	5.1
145.10156	3.5
147.11705	5.2
149.09575	0.6
149.13266	5.1
151.11182	4.9
151.14760	0.7
153.12759	0.7
155.10689	1.2
159.11708	3.1
161.13264	0.6
163.03912	36.5
165.12775	0.8
167.10565	1.1
169.12254	1.6
173.13255	3.0
181.04953	3.4
187.14848	2.5
191.17953	0.7
195.13869	1.6
197.60378	0.6
215.15872	1.4
215.17944	19.5
215.19952	1.2
233.19031	12.8
235.20592	1.2
236.14940	7.6
239.47888	0.6
249.18381	3.3
251.20074	100.0
252.20369	2.1
269.21115	16.0
287.42743	0.6
372.04166	0.6
456.36646	0.6
474.37741	1.7
509.04672	0.6
628.47919	5.9
699.48279	2.1
700.49036	0.7
717.40186	4.5
718.50732	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3822
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77035	0.3
53.03935	0.9
55.01867	0.9
55.05519	1.7
57.03435	2.7
57.07075	0.3
58.06608	0.5
59.05006	1.0
61.02923	5.1
61.80322	0.3
67.05507	5.3
67.05849	0.7
67.20502	0.4
69.03436	3.1
69.07053	1.2
71.01339	0.4
71.04987	0.5
73.02911	4.2
79.05488	5.4
79.52184	0.3
81.03419	2.8
81.07056	5.5
83.04999	0.5
83.08606	0.5
83.93308	0.3
85.02903	5.2
87.04472	0.8
91.03941	2.7
91.05476	5.4
93.07046	4.3
95.04998	0.7
95.08612	3.4
97.02882	4.3
97.06532	0.9
97.78858	0.3
99.04447	1.1
101.02389	1.5
105.07031	1.8
107.04943	0.4
107.08584	2.9
109.02859	0.9
109.06541	0.3
109.10171	1.3
111.08090	0.6
115.05449	0.6
117.07003	2.8
119.08604	1.1
121.10165	2.0
123.11678	0.5
127.03917	0.7
131.08549	0.7
133.10098	0.9
135.08049	3.8
135.11694	1.5
147.11713	0.7
159.11699	0.5
163.03900	0.6
172.31424	0.3
172.65831	0.4
183.11670	0.5
184.07365	1.2
184.57996	0.3
211.13324	0.4
212.57230	0.4
215.18117	0.4
221.07892	0.4
227.52937	0.4
229.29143	0.4
236.14935	0.6
243.08467	0.8
251.20149	1.3
298.01440	0.4
303.06946	0.6
309.24170	0.5
335.25745	0.8
411.16504	0.4
439.15747	7.1
519.29230	5.5
519.36230	0.7
520.37311	1.3
555.33679	0.5
717.38110	100.0
718.38507	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	717.3816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.8
54.56043	0.4
55.01877	0.7
55.05516	1.9
57.03432	1.6
57.56094	0.4
59.05001	1.1
61.02934	4.5
63.78518	0.3
65.03949	0.5
67.05511	6.5
69.03437	2.8
69.07063	1.5
69.29572	2.9
71.05000	0.9
73.02919	3.5
79.05498	5.5
81.03422	2.2
81.07058	5.3
83.04981	0.8
83.08620	0.9
85.02908	3.7
86.09713	0.4
87.04483	0.6
89.06043	0.9
91.03966	2.2
91.05499	2.9
93.07046	4.5
95.05003	0.7
95.08614	3.8
97.02907	3.0
97.06512	0.5
99.04473	1.1
101.02394	1.7
103.05457	0.5
105.07040	1.9
107.04961	0.9
107.08606	3.6
109.02906	1.0
109.10162	2.4
117.07060	1.7
119.08609	1.2
121.06505	0.7
121.10131	2.3
123.11678	0.5
125.01491	0.3
125.09697	0.5
127.03915	1.1
131.08586	1.4
133.10139	1.2
135.08058	2.6
135.11732	1.3
145.10132	0.8
149.09705	0.4
163.03874	0.5
163.07524	2.6
165.09410	0.4
173.13258	0.5
181.08636	0.4
184.07352	0.6
185.04305	0.8
191.06897	1.0
199.09612	1.8
221.07851	6.2
236.14912	0.7
243.08478	2.5
259.40482	0.5
266.30798	0.4
277.10471	1.7
313.27316	0.4
334.01187	0.4
350.48206	0.4
365.78830	0.5
439.15790	8.4
462.33044	1.1
509.21127	0.4
519.29333	5.4
520.37061	0.7
536.36670	0.4
555.33368	0.6
699.46210	0.6
717.38190	100.0
718.38696	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	717.3816
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03120	0.2
53.03940	0.9
55.01865	0.6
55.05519	1.4
57.03437	2.0
57.07074	0.3
59.04988	0.6
61.02927	5.2
62.40518	0.2
65.03944	0.3
67.05507	3.8
69.03429	3.0
69.07063	0.7
69.85387	0.5
69.85809	0.7
71.01346	0.7
71.04989	0.7
73.02917	3.5
79.05500	5.1
81.03413	2.3
81.07057	3.8
83.01342	0.4
83.04984	0.7
83.08605	0.6
85.02904	5.1
85.13215	0.2
86.09725	0.3
87.04481	0.4
89.06044	0.3
91.03956	3.2
91.05473	2.8
91.83434	0.2
93.07040	4.8
95.04958	0.8
95.08599	3.0
97.02895	4.4
97.06511	0.3
99.04458	0.9
99.08092	0.4
101.02380	1.5
105.07021	2.6
106.07356	0.4
107.04966	0.5
107.08593	1.5
109.02900	0.7
109.06528	0.3
109.10152	1.2
111.08153	0.2
115.03941	0.3
117.07040	0.7
119.08578	1.4
121.06492	0.3
121.10143	2.4
121.85889	0.2
123.11745	0.4
125.09651	0.3
127.03913	1.6
129.06989	0.3
131.08557	0.8
133.10147	0.8
135.08125	0.3
135.11717	1.0
137.09607	0.3
145.10136	1.2
147.11673	0.5
149.09637	0.3
149.13254	0.4
159.11729	0.4
163.11194	0.6
184.07349	0.6
185.04170	0.4
187.66086	0.3
203.05284	0.6
211.13371	0.3
236.14992	0.7
237.15329	0.3
243.08366	1.2
249.11049	0.6
283.15649	0.3
307.22751	0.7
309.24362	0.3
467.18967	3.3
491.26160	10.0
519.36786	0.3
520.36963	0.6
627.46564	0.4
717.38165	100.0
718.38477	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	716.5517
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.6
57.03431	0.9
57.07078	30.4
58.06607	4.2
59.05019	0.7
59.07388	1.1
60.08157	1.7
63.47053	0.5
67.05505	1.3
69.07076	4.3
70.09359	0.6
71.08636	30.2
73.02934	1.3
73.06561	8.7
79.01200	0.5
79.05482	0.9
81.03436	0.9
81.07045	2.3
83.08619	4.6
85.02927	0.7
85.10186	16.9
87.04470	10.3
89.06034	100.0
91.05506	0.9
91.07583	1.0
93.07069	0.9
95.08593	1.0
97.10168	5.1
97.68958	0.5
99.11745	3.2
105.07054	0.8
107.07078	1.9
111.11726	3.5
113.13281	1.3
116.18564	0.6
117.09129	9.1
121.10148	1.2
125.13290	1.6
127.14821	2.2
130.08615	2.7
131.07045	3.8
131.08604	0.6
133.08607	56.6
135.10161	0.7
139.14828	0.7
141.16386	1.2
144.10222	2.3
155.17947	0.7
161.11746	1.7
175.09700	2.0
177.09666	1.1
177.11241	23.1
184.07471	0.6
193.15936	0.6
197.22661	3.0
221.13802	4.1
223.15190	0.6
236.14937	14.9
239.14911	0.6
241.25346	1.9
251.20143	1.7
265.16516	1.6
283.17520	1.1
285.27884	6.1
309.19031	1.2
313.27295	0.8
327.20248	0.7
329.30542	3.8
428.26614	0.9
456.36761	0.7
459.28012	0.7
474.38049	2.5
503.30716	1.6
666.49438	17.0
667.49591	1.0
699.52911	2.8
716.53577	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	716.4576
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.8
53.03941	2.6
55.01863	2.6
55.05513	10.6
57.03447	8.6
57.07068	1.7
58.06591	1.2
58.58096	0.8
59.04995	3.2
61.02917	3.1
65.03941	1.7
67.05508	31.0
69.03418	2.3
69.07069	8.2
71.05006	2.1
71.08630	1.6
71.49729	1.3
73.02897	1.6
76.57227	0.9
79.05498	39.5
81.03407	1.5
81.07061	100.0
83.04967	3.4
83.08625	7.5
83.92431	0.8
85.02888	2.5
85.06537	2.2
85.10171	1.3
89.06028	1.7
91.04926	0.8
91.05480	14.9
91.90564	0.9
93.07050	28.3
95.04953	2.3
95.08607	21.6
97.02915	1.2
97.06547	7.2
97.10152	2.1
99.04389	0.8
99.08079	3.0
103.03927	1.1
105.04592	1.0
105.07032	12.9
107.08603	19.5
109.06534	5.5
109.10151	8.4
111.04445	0.8
111.08096	6.3
115.05460	1.1
117.07015	5.5
119.08595	9.4
121.10142	10.3
123.08067	2.6
123.11687	2.6
125.09575	4.1
127.07580	7.4
129.07008	1.3
131.08543	6.3
133.10150	6.8
135.04417	0.9
135.08087	6.6
135.11694	8.8
137.09592	2.0
141.09106	3.7
143.08537	1.3
145.08633	2.0
145.10095	5.0
147.11711	3.7
149.13240	3.6
153.09131	3.5
155.08519	1.4
155.10687	1.4
157.10130	1.9
159.10350	1.0
159.11710	2.9
161.13249	3.0
163.03897	2.9
163.11140	1.1
163.14815	1.0
171.11757	1.6
173.13298	2.8
183.11635	0.9
184.07306	2.2
185.11681	2.3
185.13264	1.9
187.14847	1.6
197.13353	1.0
199.14819	0.9
213.16385	1.0
215.17859	1.3
217.14384	2.1
227.12814	4.8
236.14903	2.7
239.17644	0.9
243.21152	1.8
249.18477	2.6
251.20116	2.5
259.15402	20.0
261.22220	4.3
283.15610	1.0
333.24231	1.5
335.25824	24.5
351.26575	2.5
363.25443	4.8
369.27963	5.3
395.29340	1.7
443.31519	6.2
461.32663	53.0
462.32880	1.6
475.34015	1.3
487.34229	9.8
493.35080	1.5
519.36823	28.5
520.36816	1.1
672.93372	1.0
698.47217	2.4
716.40851	1.5
717.00104	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.4583
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.1
51.51070	0.9
53.03955	4.3
55.01855	1.2
55.05513	13.2
57.03189	1.0
57.03440	9.9
57.07071	3.8
58.06583	1.3
59.05006	4.6
61.02917	3.4
64.11732	0.8
65.03938	2.0
66.83249	0.9
67.05509	90.5
68.05818	1.7
69.03416	1.8
69.07072	11.6
70.12154	0.8
70.93791	0.9
70.94118	2.0
71.04599	1.4
71.04993	19.0
71.08657	1.1
73.02898	1.2
79.05499	50.3
81.03423	5.2
81.07061	37.7
82.07407	1.1
82.44608	0.8
83.04990	5.1
83.08622	9.0
85.02897	4.1
85.06538	3.7
87.04469	1.0
89.06023	2.7
91.03962	1.3
91.05485	28.0
92.05801	2.1
93.07050	56.8
94.07380	1.4
95.04993	5.2
95.08614	24.7
96.06674	0.8
97.02885	2.6
97.06562	4.2
97.10163	2.6
99.04437	1.0
99.08068	2.9
105.04514	1.4
105.07034	13.8
107.04944	0.8
107.08605	12.8
109.06516	1.5
109.10164	58.5
111.08069	3.8
112.38866	0.9
117.07032	6.4
119.08585	19.8
121.10150	24.9
123.08102	1.4
123.11708	2.3
125.09607	2.0
127.03930	1.2
129.06943	0.9
131.08598	8.1
133.10143	7.7
135.11697	13.9
137.09625	9.2
143.08580	1.9
145.10152	6.9
145.12379	0.9
147.11725	5.0
149.09625	2.0
149.13280	2.6
151.11227	2.0
155.10674	2.7
157.10091	2.0
159.11690	3.5
161.13243	1.7
163.11191	3.8
165.09087	1.5
165.12802	1.1
169.12193	1.6
171.11703	0.9
173.11742	6.6
173.13246	2.4
181.12346	2.1
184.07362	1.4
185.13414	1.1
187.13228	1.3
187.14815	1.5
215.17949	6.0
229.14345	2.3
231.17493	1.3
233.18945	3.1
236.14905	3.0
243.15938	2.9
246.97607	1.0
255.15984	4.5
257.13867	1.3
258.14255	1.2
259.15506	1.0
287.18542	18.6
307.22699	31.7
335.25742	2.5
336.26123	1.2
337.26349	1.7
363.25089	0.9
365.95914	0.9
369.27856	1.4
443.31674	3.0
461.32654	100.0
462.33035	4.8
475.34125	2.8
487.34354	9.9
493.81665	1.0
518.35736	1.3
519.36835	89.2
520.36792	2.9
698.45685	2.6
716.48413	1.0
717.37567	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.9
53.03953	1.6
55.01858	0.4
55.05518	0.5
57.03441	0.4
59.05005	0.9
63.93777	0.3
67.05504	1.4
71.04996	0.3
72.39037	0.3
73.02921	0.6
73.06558	1.1
77.03929	0.7
79.05490	7.0
81.03424	0.7
81.07061	1.2
87.04472	5.9
89.06035	47.1
90.72832	0.3
91.05482	8.8
91.07587	0.4
91.29499	0.3
93.07061	2.5
95.04982	1.9
95.08614	0.6
98.20743	0.9
103.05466	7.1
105.07036	100.0
106.07376	1.0
107.04960	1.7
107.07092	0.9
107.08588	0.4
111.42880	0.3
115.05392	0.4
116.06257	0.5
117.06997	1.9
117.09148	0.8
119.04938	1.7
119.08582	4.7
119.84109	0.3
121.06510	17.1
121.10140	0.3
128.06210	1.2
129.07037	3.2
130.08636	0.8
131.07079	2.3
131.08571	6.5
132.05701	0.8
133.08609	29.8
133.10193	1.1
134.08981	0.3
135.08083	0.8
135.11682	0.3
145.06532	0.7
147.08055	29.8
148.08434	0.5
149.09634	7.0
163.11154	0.6
164.64783	0.3
165.07079	0.5
165.09070	1.9
166.07834	0.4
173.09657	1.0
175.09695	1.8
175.11157	0.6
177.11224	10.5
179.08487	0.4
181.10152	1.4
184.07397	0.7
191.10675	0.6
193.10100	0.3
193.12299	0.8
195.08170	0.5
208.08876	0.4
209.11752	0.9
221.13852	2.5
222.10260	0.4
223.11098	1.6
225.12743	16.6
227.12799	0.4
236.14993	0.4
239.14778	0.4
249.12727	2.6
251.14397	2.5
253.14359	0.4
255.15886	0.5
265.16449	0.5
267.13690	0.4
269.15369	3.8
271.15460	0.6
283.17438	0.3
295.16745	0.3
307.22568	0.4
309.19196	0.3
311.16409	0.4
313.17883	1.5
325.14798	0.4
327.17273	0.4
329.18991	0.3
341.19373	0.3
373.21619	5.1
379.13599	0.3
403.22958	0.5
445.25909	0.3
491.28119	1.2
519.36377	0.7
551.32294	0.5
595.35022	2.2
699.40643	0.9
716.45715	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01604	0.5
51.02380	0.8
53.03940	1.6
55.05502	0.4
56.72319	0.3
57.39547	0.3
59.04995	0.7
67.05505	1.1
69.07054	0.3
69.24745	3.1
73.06558	1.3
77.03952	0.5
79.05495	7.3
79.05922	0.7
81.03424	0.5
81.07052	1.0
83.08597	0.3
85.52379	0.3
86.09711	0.5
87.04470	7.5
89.06033	51.3
90.06353	0.3
91.05476	9.4
93.07047	3.1
95.04971	1.7
95.08610	0.9
103.05460	6.4
105.04533	1.0
105.07034	100.0
106.07381	1.3
107.04951	1.5
107.07079	0.7
109.10168	0.5
115.05467	0.6
116.06264	0.4
117.07012	1.6
117.09128	1.1
119.04937	1.9
119.08585	5.1
121.06509	17.6
122.06894	0.4
128.06198	0.7
129.07021	3.4
130.08655	0.8
131.07079	2.2
131.08554	7.1
132.05682	0.4
133.06581	0.7
133.08606	34.0
133.10204	1.5
135.08098	0.7
145.06482	1.0
145.10098	0.5
147.08051	30.6
148.08409	0.5
149.09630	6.0
149.13142	0.4
159.11667	0.4
163.07544	0.4
165.06972	0.3
165.09114	1.6
166.07809	0.5
173.09618	0.9
175.09677	1.2
175.11035	0.5
177.11237	11.8
181.10141	1.2
184.07303	0.7
191.10634	0.6
193.12257	0.7
209.11736	1.3
219.12222	0.7
221.13747	1.9
223.11128	2.2
225.12744	18.9
226.13058	0.5
236.14857	0.5
237.12657	0.6
249.12784	2.1
251.14357	2.6
255.15906	0.6
265.16589	0.5
269.15292	4.9
283.17480	0.5
313.17944	1.9
327.17374	0.4
373.21637	4.8
400.48154	0.4
403.23181	0.5
445.25690	0.5
447.25507	0.4
491.28662	1.7
519.36023	0.4
551.31738	0.5
563.35730	0.4
595.35052	1.8
698.44806	0.4
699.40424	0.9
716.44983	0.7
717.37347	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.8
53.04142	1.0
53.45348	1.1
55.01873	14.5
55.05504	2.6
55.24108	1.1
57.03413	3.3
57.84380	0.9
59.99105	6.1
61.02933	5.5
66.00811	1.1
66.14984	1.1
66.63136	1.1
68.99793	8.4
69.03432	19.8
71.04972	3.6
71.07674	2.6
72.08137	2.3
73.02921	5.8
73.06561	9.5
76.51273	1.2
79.01842	1.4
79.05514	2.3
81.03423	23.2
85.02910	44.9
85.07652	1.2
86.06052	4.6
87.00838	13.7
87.04464	1.7
88.08862	1.2
89.19347	1.2
91.03973	5.8
91.05460	1.4
95.04955	2.2
95.08598	1.5
97.02894	49.3
99.04459	10.9
101.02361	3.0
102.03757	1.9
102.99678	1.4
105.01865	4.8
106.06562	75.9
109.02879	54.2
109.10123	1.0
115.03216	1.2
115.03895	7.1
115.08709	1.4
116.67765	1.2
122.09634	1.4
124.60466	1.1
125.02357	100.0
127.03925	65.7
129.01866	1.6
132.04761	14.3
134.06024	5.8
137.05984	2.5
141.01843	12.4
141.06573	1.2
143.03404	28.6
145.05028	26.3
147.02913	2.3
151.00259	4.3
153.01833	5.1
157.13327	1.8
161.04485	2.2
163.06018	1.7
169.01337	15.9
169.04918	1.5
171.02910	8.4
175.05379	1.9
178.99826	2.6
185.04510	1.3
187.02391	11.0
189.03940	8.0
191.11777	3.1
197.00740	1.8
208.05383	3.6
213.03938	10.1
215.01901	11.5
217.10097	7.5
231.05035	15.0
233.02956	16.8
249.06029	11.4
250.10098	9.9
251.03973	1.2
261.05939	2.0
269.06955	1.3
280.11151	3.4
287.03992	1.9
297.06107	5.2
305.05042	4.7
313.05554	1.8
315.07126	10.9
331.06519	2.1
333.08044	3.3
336.20001	1.2
341.05060	12.9
359.06100	38.1
377.07117	19.9
377.11380	2.1
484.21024	3.8
549.17310	1.9
567.18158	1.4
611.17426	7.5
654.23212	3.1
716.23157	5.1
716.35681	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.2
53.03949	9.5
55.01868	8.7
55.05513	5.3
57.03438	6.7
57.96710	0.5
59.99102	3.8
61.02926	5.5
68.99800	4.0
69.03432	36.6
69.95341	3.0
71.04989	7.0
72.08153	2.0
73.02926	9.5
73.06557	27.7
75.04481	4.6
79.05506	2.9
81.03422	36.6
83.01360	1.1
83.04991	4.5
85.02908	100.0
85.07674	2.0
86.06071	2.3
87.00828	36.2
87.04472	1.3
91.03958	2.6
95.04987	1.5
97.02893	32.0
98.21433	0.7
99.04461	17.3
101.02386	1.6
103.03931	1.0
105.01870	47.1
106.06558	73.6
107.06899	0.7
109.02882	41.5
111.04453	6.6
115.08704	2.6
117.01857	5.3
127.03920	84.0
128.04309	0.6
129.01834	5.1
129.05470	4.1
132.04787	13.7
134.06015	13.7
139.03926	0.8
145.04982	40.7
147.02908	4.3
147.06537	0.8
157.13370	11.2
159.02898	26.5
175.05363	1.8
177.03949	1.9
187.06088	1.3
189.03958	2.0
191.11786	15.5
195.67152	0.6
205.07101	1.2
208.05353	4.8
213.03973	6.7
213.07683	0.8
217.10066	39.7
231.05008	38.3
237.07596	2.7
249.06049	13.6
250.10127	2.6
255.08521	0.9
273.06061	3.4
280.11191	4.2
308.85022	0.7
322.15897	5.1
341.08740	2.5
359.09747	4.9
363.15820	1.4
377.10672	1.4
535.64270	0.6
551.24194	1.8
611.20959	2.6
710.39563	0.6
716.26740	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	714.5511
Annotation	Soyacerebroside I
Peak:m/z	Relative Intensity
53.03937	1.4
55.05508	4.4
56.05043	3.9
57.07075	4.3
57.47726	0.5
58.06584	0.7
60.04517	2.5
67.05179	0.9
67.05511	10.0
68.05043	0.8
69.03427	1.5
69.07067	7.5
70.06590	1.8
70.74672	1.6
71.08631	0.7
76.04025	0.6
79.05494	9.1
80.05014	2.3
81.05819	1.4
81.07057	9.7
82.06583	6.7
83.08627	5.7
85.02898	2.4
91.05482	8.1
93.07048	8.9
94.06571	17.3
95.04952	0.9
95.07354	7.1
95.07907	0.9
95.08011	0.7
95.08604	6.7
96.08129	5.1
97.02893	0.9
97.10169	2.2
100.07624	0.6
105.07050	5.8
107.08595	5.5
108.08110	3.4
109.10169	3.8
110.09689	0.8
111.11710	0.8
118.23089	0.5
119.08590	5.1
121.10151	5.3
122.09669	1.9
123.11712	1.8
133.10158	3.7
135.10555	0.6
135.11697	3.6
136.11189	0.6
147.11681	1.6
149.13254	0.9
161.13202	0.8
163.14786	0.8
233.22649	3.8
234.22191	0.7
245.22662	3.8
249.87335	0.7
250.25276	8.5
254.24677	1.4
262.25311	100.0
263.25674	2.4
272.25897	5.5
280.26379	7.2
312.25418	0.7
325.45230	0.6
464.40671	0.7
504.47745	5.1
516.47791	30.4
517.47931	1.5
518.49249	5.0
534.41119	1.1
534.48840	16.0
571.41949	0.7
696.54120	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	715.089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24028	0.8
56.69246	0.9
63.02542	0.9
69.07982	0.8
71.48887	1.5
94.93005	5.3
100.87330	1.1
120.94603	1.4
144.93956	0.9
148.94070	1.3
192.93031	14.0
215.92220	1.1
240.96516	1.0
248.51410	0.9
256.93607	1.6
256.96158	21.2
323.48422	0.9
372.97260	100.0
373.97552	1.5
407.10040	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.5145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.8
55.01844	0.7
55.05484	2.3
57.03447	4.4
57.07080	6.7
58.06603	36.3
59.04976	2.0
59.07387	10.8
60.08170	10.3
63.55808	0.6
64.96154	0.5
65.03918	0.8
67.05505	6.5
69.07036	2.3
69.84253	2.4
71.04980	0.6
71.08643	5.0
73.02896	0.8
75.04486	2.8
77.98322	0.5
79.05484	4.1
81.03410	1.4
81.07070	4.6
83.04951	1.2
83.08577	2.2
84.08116	1.4
85.02908	2.7
85.06522	0.6
85.10168	2.6
87.04471	4.0
89.06024	1.1
90.01479	0.5
91.05482	3.2
93.07040	4.2
95.04942	1.5
95.08608	6.8
97.02939	0.6
97.06550	0.9
97.10134	1.7
101.06007	0.7
102.05537	0.8
105.05519	1.0
105.07030	7.5
106.07349	0.9
107.04926	0.6
107.08561	2.4
109.06488	0.8
109.10164	2.7
113.05972	2.0
117.06991	0.9
119.08569	1.6
121.10120	2.4
123.11665	0.9
130.08629	0.9
131.07031	1.5
131.08563	1.6
133.08592	0.7
133.10135	1.3
135.08040	0.8
135.11708	1.4
137.05891	0.7
137.09564	0.7
144.10207	18.6
145.10120	1.0
147.11676	0.6
159.11575	0.5
162.11269	5.7
163.11182	1.0
165.33524	0.6
184.07251	0.6
209.13228	0.6
218.13948	1.2
236.14941	100.0
237.15175	1.2
239.23651	0.9
313.27393	1.9
369.29913	0.8
412.37921	0.9
426.24673	1.2
444.26135	1.8
449.20856	0.6
456.36859	6.9
458.27628	2.7
466.66269	0.5
474.37927	15.0
474.44296	1.0
475.38498	0.7
476.28668	4.8
573.48962	6.9
574.50140	0.6
664.48151	1.7
682.48828	9.4
696.51007	1.4
714.51526	98.0
715.51794	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	714.4422
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02347	1.7
53.03941	5.3
55.01869	2.7
55.05511	15.4
57.03436	11.5
57.07076	2.1
59.05003	3.6
61.02922	3.3
65.03937	2.6
67.05504	43.2
69.03420	5.4
69.07071	11.1
69.69286	7.6
70.06571	1.7
71.04974	3.4
73.02905	2.1
79.05491	46.1
80.05841	1.5
81.03420	35.8
81.06595	3.0
81.07053	43.0
82.07413	2.1
83.04991	8.0
83.08617	17.3
85.02902	14.1
85.06536	1.5
86.09715	2.7
87.04453	2.3
88.07622	3.5
89.06026	1.4
91.04908	1.9
91.05476	33.1
92.05818	2.0
93.07040	44.4
94.07364	1.9
95.04969	17.8
95.08612	26.0
97.02870	3.9
97.06515	6.1
97.10204	2.5
99.08081	2.5
102.09193	3.4
103.05470	1.7
105.07029	25.7
107.04945	4.0
107.08585	17.5
107.47350	1.4
109.06522	4.3
109.10161	11.6
111.08067	7.7
115.05518	1.9
117.07014	5.6
119.08576	16.9
121.06478	1.8
121.09343	2.3
121.10148	24.6
123.08058	3.2
123.11689	4.5
125.09660	1.8
127.03873	1.8
129.06984	6.1
131.08549	11.8
133.10132	14.1
135.08023	1.6
135.11690	11.8
137.05981	2.0
137.09579	2.1
142.07758	1.9
145.10141	7.6
147.08000	1.8
147.11679	10.8
149.02347	4.7
149.09602	4.6
149.13254	5.6
151.11259	2.5
157.10150	8.6
159.11697	3.8
163.11153	3.2
165.09065	2.3
171.11752	2.1
173.13222	4.0
175.11217	8.8
183.10182	1.6
184.07338	5.7
193.04950	6.1
193.10638	2.2
193.12241	19.4
211.13312	25.7
212.13710	1.4
215.17944	10.5
227.12738	3.0
233.19008	7.6
236.14909	2.4
237.07626	2.2
257.13766	3.1
267.15924	8.6
284.15701	1.9
285.16977	41.5
307.22665	70.8
308.23099	3.4
312.32593	6.3
335.25674	2.6
336.15231	1.5
348.07242	1.6
360.50470	1.9
429.11844	4.5
499.33951	6.5
516.34265	2.2
517.35260	100.0
518.35480	6.1
714.41479	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	714.4427
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93978	1.4
53.03939	4.8
53.56211	1.5
53.63541	1.5
55.01866	6.3
55.05516	24.6
55.12122	1.9
57.03444	15.8
57.07061	6.8
58.06592	2.1
59.05011	12.5
61.02915	6.4
67.05508	53.0
69.03430	3.2
69.07066	21.8
71.04997	4.4
71.08617	4.6
71.48964	1.6
71.49406	3.3
79.05067	2.7
79.05494	31.5
81.03418	13.1
81.07060	68.0
82.07416	2.0
83.01358	8.3
83.04981	10.6
83.08615	16.9
85.02916	9.1
85.06542	3.5
86.09679	2.4
87.04453	5.2
88.93145	1.4
89.06003	3.4
91.03939	2.3
91.05489	25.3
93.07048	34.2
95.04981	10.9
95.08611	39.1
97.02879	5.8
97.06540	7.6
97.10174	5.0
98.16451	1.7
99.04446	3.3
99.08083	5.3
105.07041	25.9
107.04984	9.5
107.08594	21.1
108.54765	1.6
109.06524	2.4
109.10155	14.4
111.04443	2.3
111.08089	3.7
115.07591	1.8
117.06995	7.4
119.08586	16.8
121.06500	3.8
121.10160	14.0
123.08057	7.2
123.11686	4.8
125.09596	5.0
131.08586	5.6
133.08626	2.8
133.10161	8.5
135.08041	2.8
135.11697	18.8
137.09639	3.3
139.11122	1.9
143.08549	2.2
145.10162	11.1
147.08084	3.1
147.11708	8.3
149.09546	2.0
149.13286	4.8
153.12740	2.5
161.13266	4.4
163.11215	20.4
175.14824	2.3
181.12206	4.1
184.07355	5.1
209.11760	5.2
217.19502	8.2
227.12770	6.0
235.20609	10.1
236.14960	5.9
283.15417	100.0
284.15762	3.2
307.22845	3.0
309.24252	80.0
310.24615	2.5
356.02823	1.7
446.81409	2.0
456.97186	1.7
517.35284	71.4
518.35724	2.3
714.48657	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	714.4421
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63991	1.3
53.03939	6.3
53.46150	1.6
54.90265	1.4
55.01872	3.7
55.05513	16.0
57.03443	14.4
57.07064	2.1
59.05013	2.2
61.02906	5.6
64.64843	1.4
65.03940	3.7
67.05508	76.0
69.03444	3.4
69.06718	2.2
69.07065	15.0
71.04980	6.7
73.02904	2.4
79.05493	49.3
81.03417	52.9
81.07059	57.6
83.04990	10.3
83.08607	9.9
85.02910	20.3
87.04473	2.1
91.05482	100.0
92.05782	2.2
93.07047	69.4
95.04989	9.7
95.08613	58.4
97.02894	5.8
97.06526	4.9
99.08089	2.8
101.06013	4.2
102.09174	1.9
103.05429	1.9
105.04515	2.7
105.07034	24.0
105.91616	1.7
107.04948	3.3
107.08584	20.8
109.06518	3.3
109.10165	34.6
111.04459	1.7
111.08131	2.5
115.05459	2.2
117.07017	13.0
119.08585	98.3
121.06504	7.6
121.10143	22.7
123.08070	3.5
123.11704	4.6
129.05489	3.3
129.07002	6.0
131.08582	12.8
133.10130	10.8
135.08070	4.6
135.11668	11.8
137.09624	45.0
142.72636	1.5
143.08525	2.1
145.10100	8.9
147.08043	11.4
147.11685	9.7
149.09605	3.8
149.13287	5.0
157.10078	3.0
159.11700	5.1
161.13307	4.0
163.14832	3.8
165.07799	2.9
165.09119	45.2
173.13283	4.5
175.14748	1.9
183.10176	18.4
184.07312	2.4
187.14815	2.2
192.11511	1.6
193.04881	1.8
193.12115	2.8
201.11078	1.6
211.13361	1.8
215.18076	2.4
239.12769	16.5
243.21094	3.8
257.13846	72.1
261.22147	15.9
267.15948	5.8
285.16852	6.1
307.22675	13.5
312.32166	2.1
314.09451	1.7
317.24860	2.3
325.48145	1.7
335.25812	93.9
336.26242	3.1
404.40759	2.0
407.29504	3.1
425.30396	2.3
457.14484	1.6
499.34119	14.8
517.35260	66.0
518.35394	3.4
539.31537	1.5
661.75342	1.8
714.41492	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	714.4424
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.6
53.03945	5.2
55.01860	3.5
55.05511	12.8
57.03441	15.5
57.07061	4.0
58.06587	3.6
59.04993	3.4
60.20449	1.3
61.02914	3.3
65.03947	1.8
67.05508	55.8
69.03418	2.1
69.07077	15.1
71.04992	4.6
71.08614	1.5
73.02896	1.5
79.05499	39.2
81.03424	36.7
81.06598	2.8
81.07060	43.9
83.04974	4.0
83.08615	5.1
85.02906	15.3
85.06529	1.5
86.09704	2.1
87.04477	1.7
88.94843	1.4
91.05482	74.5
92.05831	1.6
93.07048	55.4
94.07398	1.6
95.04989	7.0
95.08614	43.6
97.02882	4.6
97.06532	2.8
99.08121	1.5
105.04516	1.9
105.07036	18.1
107.04985	2.0
107.08588	17.6
109.06503	2.1
109.10159	25.2
111.08082	2.7
117.07062	7.9
119.08589	79.5
120.08928	2.0
121.06487	5.8
121.10164	17.1
123.04449	1.6
123.08071	4.8
123.11707	3.2
125.00000	1.6
125.09644	2.7
129.06995	3.6
131.08533	8.3
133.10107	7.7
135.08064	5.2
135.11713	10.1
137.09625	37.9
140.72160	1.3
144.10201	2.3
145.10155	6.8
147.08044	8.5
147.11688	6.0
148.51538	1.4
149.13255	4.5
155.08727	1.4
159.11668	4.5
161.13406	2.1
163.14832	2.1
163.27901	1.9
165.09119	38.1
165.10504	2.2
171.11615	1.7
173.13205	4.9
181.10078	1.5
183.10210	18.1
184.07315	3.7
188.65752	1.4
199.09607	2.3
233.19017	2.0
236.14903	8.7
239.12779	16.5
243.21002	3.6
255.12248	3.3
257.13864	64.6
261.22131	11.4
307.22574	1.9
317.24762	3.6
327.98074	1.6
335.25821	83.6
336.26144	5.8
425.30402	3.4
443.31451	1.8
474.37967	2.5
499.34271	15.3
517.35260	100.0
518.35669	4.5
696.46417	5.1
714.47192	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	714.4426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.1
55.01872	3.8
55.05515	21.9
57.03444	17.0
57.07078	2.7
59.04994	1.6
61.02934	6.2
64.81178	0.8
65.03931	2.7
65.18050	0.9
67.05509	56.0
68.70848	1.2
69.03433	4.7
69.07070	11.4
70.38660	3.2
71.05001	6.5
73.02925	2.5
79.05498	63.8
81.03425	50.6
81.07061	49.3
83.04986	12.9
83.08157	1.3
83.08627	20.1
85.02905	21.6
85.06541	3.5
86.09724	0.9
87.04478	1.7
89.06017	3.1
91.03958	2.5
91.05487	46.1
93.07048	55.9
95.04971	19.0
95.08614	32.2
95.09135	0.7
97.02901	5.1
97.06523	3.3
97.10162	3.3
98.20808	1.0
99.08103	3.6
103.05492	1.3
105.04522	1.7
105.07034	35.8
107.04971	5.0
107.08608	19.3
109.06535	3.9
109.10159	13.3
111.04449	2.4
111.08086	8.7
113.06003	2.0
113.09683	1.8
115.05478	1.9
117.07038	6.6
119.08586	21.1
121.06491	2.7
121.10155	31.1
123.08075	2.6
123.11723	5.8
125.09634	1.9
125.86040	0.9
128.06274	1.2
129.05492	1.0
129.07001	10.7
131.08594	15.4
133.06461	2.8
133.08609	1.5
133.10138	15.8
135.08012	2.1
135.11685	15.7
137.09613	3.8
142.07762	1.7
143.08501	1.9
145.10127	9.0
147.08084	3.4
147.11702	16.1
149.09651	5.3
149.10622	0.9
149.13242	5.4
157.10139	11.9
159.11731	5.3
161.13258	2.5
163.11163	1.8
163.14879	1.3
165.12761	1.5
173.13277	5.0
175.11180	10.6
176.38033	0.9
183.11650	1.2
184.07329	2.6
185.13257	1.0
193.12253	34.9
194.12495	1.1
196.18553	1.1
211.13300	45.9
215.17966	16.2
227.12825	1.7
233.18999	12.3
239.12833	2.6
249.14940	1.1
267.15906	13.0
285.16980	61.3
286.17422	0.9
289.21585	1.6
307.22687	99.3
308.22900	2.9
309.92252	1.0
334.68326	1.0
335.25742	3.0
354.50421	0.9
371.20023	1.2
407.29160	1.6
425.30237	1.1
499.34247	10.7
503.47797	1.2
517.35297	100.0
518.35907	5.7
647.53479	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.9
54.23986	0.7
55.01861	2.8
55.05511	9.2
56.05830	0.7
57.03447	7.6
57.07071	3.6
58.06586	1.1
59.04757	0.6
59.04999	5.0
61.02909	3.0
65.03923	2.2
67.05511	70.2
69.03415	1.7
69.07066	7.0
69.41784	1.3
69.42185	5.1
70.72179	0.8
71.04985	2.4
71.08633	1.3
73.02928	1.5
79.05077	1.3
79.05502	18.7
81.03416	0.9
81.06598	1.4
81.07066	25.2
83.04956	1.9
83.08627	6.6
85.02905	3.3
85.06550	4.5
85.07009	0.7
85.10177	1.0
89.05994	1.4
91.03978	1.2
91.05489	29.5
93.07053	21.8
95.04973	3.9
95.08616	16.1
97.02888	2.1
97.06531	3.1
97.10161	1.4
103.03946	1.0
105.07038	25.0
106.07369	1.1
107.04919	0.8
107.08584	10.5
109.10167	58.8
111.08115	3.6
117.07017	8.1
119.08588	24.2
121.06556	1.0
121.10152	9.1
123.08051	2.5
123.11703	2.0
125.09620	1.8
129.05470	2.3
129.07005	5.0
131.08565	11.3
133.10132	13.6
135.08052	2.8
135.11699	4.3
137.09627	3.6
137.13283	1.7
143.08559	5.4
145.10162	7.5
147.07979	0.8
147.11684	6.1
149.09631	2.4
149.13264	2.3
155.10664	5.4
157.10153	5.1
159.11662	3.9
161.09697	1.6
161.13239	5.3
163.11198	1.8
163.14836	1.6
169.10075	1.0
171.11714	7.7
173.11789	21.1
173.13257	3.3
175.11191	1.7
175.14848	4.5
177.12811	1.0
177.16426	1.9
184.07243	1.6
185.13290	4.7
187.14801	2.5
189.12857	1.4
189.16374	5.5
189.48898	0.8
191.17966	1.5
199.14859	3.9
201.16374	2.4
203.14398	1.7
203.18001	16.2
213.16440	1.7
221.15469	1.5
227.18022	1.2
229.14369	100.0
230.14711	2.5
236.14984	1.0
239.18085	0.8
241.19489	1.2
245.22681	1.5
250.18161	0.8
254.58240	0.9
255.15930	1.8
259.20575	1.6
259.24234	2.9
262.25311	1.5
269.22644	18.5
287.23727	21.2
335.25961	4.0
361.27417	23.5
362.27957	1.0
396.41296	0.8
467.89813	0.8
515.37378	19.3
533.38538	2.2
712.47821	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	0.9
53.03955	3.9
53.04164	0.9
55.01873	9.7
55.05278	0.8
55.05513	10.5
57.03161	1.1
57.03436	17.3
57.07062	2.2
59.04967	0.9
61.02933	6.4
65.03933	2.4
67.05505	49.0
69.03420	2.5
69.07069	11.9
69.28912	1.5
69.29322	5.3
71.04991	1.2
73.02896	1.6
77.03920	1.0
79.05493	60.0
81.03425	9.3
81.07057	40.0
83.01343	7.1
83.04962	2.5
83.08619	4.6
85.02907	6.9
85.06544	2.0
91.03934	2.9
91.05482	70.9
93.07042	51.0
94.07324	0.8
95.04955	3.7
95.08609	31.8
97.02911	4.3
97.06553	4.1
97.07082	0.7
97.10175	1.9
99.04436	1.1
99.08098	1.3
103.05447	1.5
104.12877	0.8
105.04492	1.8
105.06396	1.2
105.07031	14.4
107.04950	7.6
107.08595	40.1
109.02872	1.5
109.06522	3.5
109.10159	13.0
111.04413	1.3
111.08123	1.9
115.05463	6.4
117.07020	51.8
119.08575	14.4
121.06462	1.6
121.10142	15.2
123.08059	1.7
123.11734	5.2
125.05945	1.9
125.09615	2.6
127.98118	0.8
129.06993	1.3
131.08571	9.0
133.10132	7.7
135.08052	55.7
135.11670	9.1
137.06003	1.0
137.09602	3.6
137.13246	1.5
143.07022	2.1
143.08597	1.5
143.74283	0.8
145.06519	1.2
145.10118	8.0
147.08127	0.8
147.11720	5.5
149.13268	6.4
153.09129	3.7
153.12766	0.8
157.10115	1.2
159.11690	6.5
161.08157	1.1
161.13261	5.0
163.07539	11.1
163.11227	0.9
163.14813	3.7
165.09137	1.1
170.37489	0.8
171.11627	1.2
173.13264	5.8
175.14886	1.8
177.16403	1.7
181.08578	3.9
185.13274	1.0
187.14819	3.1
195.11739	0.8
199.09645	7.0
199.14714	0.9
201.16443	1.2
206.10805	0.7
233.15280	0.9
233.22600	1.5
237.11385	0.9
239.12624	1.5
240.99426	0.7
241.19563	1.0
241.37770	0.8
243.21078	6.6
255.12271	100.0
256.12607	0.9
259.20459	2.2
261.22150	15.2
299.23807	3.8
317.24893	3.9
333.23962	2.2
335.25806	81.3
336.26093	2.3
343.22672	1.1
399.25455	1.6
405.27731	2.2
423.28839	3.4
441.30038	1.9
487.34091	1.0
497.32721	5.3
515.33722	39.0
516.33813	2.9
533.34558	2.2
712.47168	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.1
55.01865	5.2
55.05513	10.5
57.03434	10.5
57.07064	1.7
61.02918	1.6
65.03925	2.7
67.05505	41.3
69.03405	2.9
69.07069	8.8
70.66740	1.3
70.67093	2.0
71.05015	4.7
73.02897	1.2
75.17058	0.8
75.44209	0.8
75.81626	0.8
79.05494	46.2
81.03413	2.3
81.06595	2.0
81.07055	30.4
83.04969	2.6
83.08607	3.9
85.02894	3.0
85.06548	1.6
91.05479	25.2
93.07043	37.9
95.04937	2.8
95.07996	1.2
95.08608	23.5
97.02878	8.8
97.06501	2.5
97.10162	1.2
99.00843	1.6
99.04456	12.2
103.05463	1.9
105.07033	9.3
107.04961	14.5
107.08596	46.7
109.06524	2.2
109.10159	10.6
111.04435	2.3
111.08089	1.5
115.05468	3.4
117.07022	30.1
119.04929	0.9
119.08590	8.3
121.06494	10.7
121.10154	9.5
123.11697	2.8
125.09641	3.6
131.08560	5.6
133.10139	4.2
133.63908	0.9
135.08057	59.6
135.11678	5.2
137.09654	1.3
145.06509	4.8
145.10126	3.9
147.11684	3.9
149.13245	3.6
152.54935	1.1
153.09094	7.7
159.11673	2.9
161.13229	2.5
163.07544	52.9
163.14821	2.0
173.13199	2.3
175.14828	1.1
181.07126	1.1
181.08614	12.3
184.07382	3.3
187.14856	1.5
199.09659	77.1
200.09921	1.2
243.21101	6.0
255.12279	100.0
256.12506	2.6
261.22141	15.0
273.92929	1.0
277.48157	1.0
317.24713	2.6
335.25806	66.4
336.26120	2.5
441.29767	1.3
515.33704	51.8
516.33508	3.0
533.34204	1.3
712.45276	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12006	0.7
53.03938	2.7
55.01877	3.6
55.05278	1.0
55.05514	12.7
57.03442	10.5
57.07067	2.1
59.05001	0.9
61.02923	1.5
65.03934	1.7
67.05510	41.2
69.03421	1.5
69.06727	0.9
69.07068	10.3
69.83755	1.1
69.84156	2.1
71.04976	2.8
73.02911	1.4
79.05500	43.8
81.03422	3.2
81.07063	37.7
81.29122	0.6
83.04977	2.7
83.08230	0.7
83.08633	7.5
85.02902	2.2
85.06525	2.0
88.69240	0.6
91.03977	0.6
91.05488	19.2
91.83971	0.7
93.07051	54.5
95.04970	6.7
95.08615	38.5
97.02895	3.9
97.06568	3.4
97.10149	1.4
98.21546	0.9
99.04446	2.4
99.08078	1.2
103.05479	1.2
105.04530	1.7
105.07029	13.0
107.04971	7.2
107.08599	28.1
109.06516	2.5
109.10174	9.1
111.04421	1.5
111.08077	1.9
113.69592	0.6
115.05466	1.3
117.07024	9.2
119.08582	10.9
121.06535	4.3
121.10149	21.7
123.08091	1.0
123.11697	2.5
125.00018	0.8
125.05997	1.5
125.09612	1.6
130.07762	1.1
131.08557	5.9
133.10155	8.4
135.08026	3.3
135.11700	37.6
136.12050	1.2
137.09602	0.9
139.11177	0.8
143.08688	0.9
145.10133	21.6
147.08173	0.7
147.11705	2.6
148.88052	0.6
149.09682	1.2
149.13251	4.5
155.48262	0.7
157.10287	0.6
159.11685	3.8
163.11197	41.5
173.13306	3.1
181.12224	6.8
184.07347	1.9
184.72208	0.7
187.14742	1.1
189.16252	0.6
194.94107	0.6
205.19453	1.0
209.11649	1.5
215.17972	8.2
219.01588	0.6
226.92691	0.6
227.12798	50.3
228.13211	0.8
233.19032	10.4
238.11131	0.7
255.12347	2.8
282.85660	0.7
283.15414	54.3
284.15833	1.0
303.58514	0.6
307.22687	100.0
308.22934	2.3
335.25864	1.8
423.28934	0.9
515.33740	77.0
516.34290	2.9
519.64233	0.7
533.34161	1.0
646.43225	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.7
55.01881	6.7
55.05273	1.9
55.05515	25.6
57.03437	17.5
57.07064	2.9
59.05006	3.9
61.02930	9.5
65.03925	2.0
66.04587	1.2
66.36240	1.4
67.05507	50.7
69.03438	2.4
69.07067	9.4
70.61720	2.4
71.04990	5.3
73.02921	2.1
79.05495	58.2
81.03432	11.4
81.06593	2.5
81.07058	47.4
82.07376	1.5
83.01329	7.4
83.04990	12.2
83.08617	13.1
85.02918	8.7
85.06532	4.1
86.50870	1.5
91.03916	2.9
91.05486	31.6
93.07043	63.6
95.04964	9.4
95.08614	29.7
97.02904	8.2
97.06516	5.8
97.10162	3.9
99.04476	1.6
99.08078	4.1
105.07031	18.6
107.04983	3.9
107.08594	25.8
109.06506	7.4
109.10152	10.2
111.04450	2.7
111.08086	2.6
117.07020	15.6
119.08591	13.2
121.06441	2.0
121.09327	2.1
121.10141	23.9
123.08092	7.5
123.11694	5.0
125.09621	4.5
127.41039	1.3
129.06966	3.2
130.07767	1.6
131.08562	15.6
133.10130	14.7
135.08067	2.8
135.11693	31.5
137.09596	4.1
140.43753	1.4
143.08675	1.7
145.10127	20.2
147.08090	2.0
147.11684	7.6
149.13281	11.1
153.12746	1.8
159.11682	6.6
163.11168	20.5
163.13136	1.5
171.11732	2.3
173.09654	2.0
173.13271	8.7
177.12753	1.7
181.12253	4.1
187.14801	1.9
189.11185	2.0
191.10667	3.0
191.14267	1.5
205.19647	3.0
209.11752	7.8
213.16435	2.0
215.17984	18.7
227.12743	8.4
233.18996	24.1
271.20575	3.0
283.15405	100.0
284.15793	3.0
289.21378	1.5
307.22681	99.0
308.23138	3.0
383.08063	1.3
405.28110	1.7
423.28900	3.6
430.85449	1.4
491.05380	1.4
497.32788	3.2
515.33710	60.8
516.33771	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	712.245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.6
55.01865	2.4
57.03428	1.2
61.02917	2.7
69.03436	9.1
69.07096	0.9
71.04994	1.6
71.48541	0.9
71.48909	0.8
73.02919	1.9
79.05497	1.2
81.03426	8.9
81.07059	1.5
82.27020	1.0
84.04497	0.9
85.02443	1.5
85.02917	21.0
87.00835	8.7
91.03979	1.0
91.05493	1.5
95.08633	1.2
97.02901	6.6
97.06522	1.0
99.04439	1.9
103.05482	1.3
105.01872	3.6
105.07048	5.1
107.05035	0.8
107.08575	0.8
109.02883	7.4
113.96034	0.8
115.05469	1.3
119.04977	1.0
119.08579	1.6
122.02826	1.0
125.10986	0.8
127.03945	11.3
131.04927	2.4
133.06490	2.7
134.05304	0.8
137.05994	22.8
137.44978	0.8
143.04927	1.0
145.04951	2.7
146.03644	2.5
151.03865	1.2
151.07550	2.1
159.02869	3.6
161.06000	34.8
163.07545	3.5
166.61404	1.0
175.07558	20.0
187.07582	0.9
194.07210	0.9
195.08046	0.8
201.09177	1.2
205.06490	1.1
205.10066	1.9
207.08206	1.0
209.09604	1.6
215.08549	1.2
218.07304	1.5
219.08235	1.1
219.10173	3.2
221.05998	1.5
221.09584	0.9
222.06747	1.7
223.07591	0.9
231.05118	1.1
232.08923	1.3
233.09589	4.4
234.10333	0.9
235.07526	3.2
236.08331	0.9
237.05519	1.1
237.09151	3.4
239.10713	1.1
247.07843	0.8
249.05762	0.9
250.06279	2.1
250.09958	2.0
252.07826	1.5
253.08463	1.0
261.09213	6.0
262.09821	1.1
263.07147	1.5
264.07816	1.9
265.08624	14.5
265.12131	2.5
267.10190	2.8
269.08063	1.2
277.08398	1.4
278.09375	3.8
279.10065	1.9
283.13370	1.3
284.10553	1.3
293.11740	8.7
296.10443	1.1
297.11304	4.3
299.12662	2.0
303.10077	1.1
310.11902	0.9
311.12802	55.9
312.13101	1.5
325.14267	2.0
335.12823	1.4
343.15439	100.0
344.15768	2.4
353.14093	1.1
355.15503	1.0
367.15436	1.6
385.16626	1.3
393.51941	0.9
409.16495	1.5
433.16528	1.1
451.17535	1.4
468.09241	1.7
518.28577	0.9
550.30286	1.3
555.19135	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.0
51.53712	0.4
53.03952	1.5
55.01874	0.7
55.05512	1.6
58.86026	0.4
60.88345	0.4
65.03936	2.9
67.01901	0.5
67.05505	3.1
68.34044	0.4
68.99794	5.0
69.07083	0.6
71.49106	0.6
77.03930	1.1
79.05496	2.5
81.03426	1.8
83.04984	3.2
85.71529	0.4
87.00392	0.4
87.00836	2.4
89.03915	3.1
91.05486	1.1
93.03407	5.5
95.04970	11.1
97.06544	6.6
98.06898	0.6
99.04453	0.6
103.05492	0.5
105.01906	0.9
105.03404	1.3
105.04514	1.1
107.04955	7.4
109.02888	1.9
111.00811	1.5
111.04442	6.0
112.98171	0.4
115.05468	0.8
115.32684	0.4
117.03365	2.6
119.04934	0.8
121.02873	9.7
123.04433	100.0
124.04750	0.7
127.03922	65.6
128.04288	0.8
129.07002	0.4
131.04933	1.7
135.04417	61.9
136.04701	0.6
137.02364	2.3
137.05978	3.8
138.06331	0.6
139.03908	26.4
141.06972	0.6
143.04852	0.5
145.02864	2.9
145.06480	0.6
147.04416	2.5
149.02376	1.9
149.05959	1.7
150.73143	0.5
151.03900	3.2
153.01814	3.2
155.04918	0.7
157.04980	4.4
157.06380	0.7
159.04445	2.4
160.42688	0.4
161.05963	1.1
163.03909	80.6
164.04279	1.5
165.01859	1.1
165.07045	0.7
167.03445	3.2
167.04688	0.6
169.06563	1.5
173.02344	3.1
173.05951	2.4
174.03117	0.8
175.03914	1.2
177.05457	1.5
181.05040	1.0
181.06503	1.6
183.04451	1.0
185.05992	1.7
187.03891	4.4
187.07559	0.7
189.01875	0.9
189.05460	0.6
189.09157	0.5
191.03441	3.3
191.24171	0.4
193.06467	0.6
197.05991	3.3
199.07503	0.6
201.05507	3.1
203.07025	1.1
205.04903	1.0
205.06529	1.0
207.02837	1.4
211.03865	0.6
211.07518	0.4
213.05457	3.3
215.03432	2.0
215.07079	2.2
219.02924	0.6
221.05981	1.9
223.07738	0.5
225.03642	3.3
225.05565	2.2
227.06796	0.5
229.04953	3.5
231.06516	5.5
233.11671	4.5
234.12105	1.8
237.05449	2.8
239.07083	0.7
241.04842	0.8
243.04599	7.1
243.06868	2.3
247.06029	5.7
249.05449	0.7
250.14417	4.2
251.07184	0.9
251.14717	1.7
253.04979	4.7
255.06482	2.2
257.04483	1.6
259.05945	0.7
261.07654	3.7
265.04871	2.4
266.06009	0.7
267.06494	1.4
269.04544	0.6
271.06009	14.2
279.06689	2.0
281.04504	2.4
283.06009	7.1
285.07578	1.3
287.05569	1.5
289.07080	13.5
290.07596	0.6
293.04349	0.8
295.06039	4.3
297.07458	0.6
298.04483	0.5
299.05508	34.0
311.05515	12.7
313.07089	1.9
323.05493	1.5
325.07043	1.8
329.06558	3.3
341.06628	0.9
391.08194	0.5
394.23141	0.5
403.07755	0.4
405.09323	5.2
433.08990	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.4
55.01866	1.2
56.25821	0.3
60.51350	0.3
65.03941	1.0
66.83628	0.3
67.05512	1.1
69.03426	0.5
69.07070	19.1
70.03918	1.4
70.07381	0.5
79.05488	3.3
81.07051	0.5
85.02862	0.3
86.09722	0.4
91.05486	16.4
97.06535	21.9
98.06863	0.6
103.72983	0.3
107.05016	0.5
109.06538	1.0
119.04949	11.3
122.11777	0.4
123.04381	0.4
126.23078	0.4
133.10080	0.4
135.04417	0.7
136.05228	1.9
137.05983	100.0
138.06294	2.3
139.06453	0.5
149.05988	1.3
163.03923	2.0
173.06001	0.5
195.13843	0.7
197.09505	0.5
215.10735	1.3
233.11729	83.8
234.12062	2.8
235.12453	0.7
245.15230	0.4
250.14394	56.5
251.14694	1.6
253.66727	0.3
272.51828	0.4
359.93259	0.4
520.84900	0.4
687.77161	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.8
54.30509	3.8
55.05506	13.3
57.07068	6.9
58.06602	5.7
59.05009	35.2
61.73880	4.1
63.27197	3.9
67.05511	52.4
69.03429	5.9
69.07077	13.3
69.38538	11.4
69.38957	20.8
79.05493	49.0
81.03430	13.8
81.07053	45.0
83.04980	14.3
83.08602	5.6
85.06545	5.6
89.06046	7.3
91.05489	100.0
93.07043	36.2
95.04996	5.8
95.08598	33.3
105.07035	55.7
107.04963	9.7
107.08620	21.0
109.10152	15.1
117.07012	16.4
117.09146	5.6
119.08583	23.6
121.10172	13.4
123.11753	5.7
131.08580	13.6
133.10123	35.4
135.08107	4.4
135.11702	13.0
137.05959	5.7
141.15227	4.4
143.08527	4.7
144.56732	4.8
145.10107	7.7
149.09634	10.6
149.13284	5.2
157.10228	6.8
159.11824	6.2
161.09654	16.4
179.10675	13.9
182.78793	4.4
184.07359	12.0
236.14984	8.4
243.21091	4.6
248.38803	4.7
251.12856	6.3
253.14378	78.2
261.22137	14.6
313.27408	11.4
335.25800	46.7
425.34415	3.8
513.35779	82.7
710.47687	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	709.4799
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54930	3.6
53.03933	3.6
55.05502	18.7
57.07080	48.8
59.04991	9.3
59.15155	3.8
67.05507	44.8
69.07076	20.6
69.57491	23.1
71.04984	4.4
71.08629	26.1
74.60764	3.8
79.05488	19.8
81.07053	44.2
82.12685	3.5
82.23902	4.0
82.46873	3.5
83.08623	14.0
85.10179	12.8
89.06039	5.4
91.05488	35.6
93.06551	4.0
93.07038	23.8
95.08622	34.7
97.10148	11.8
105.07035	32.8
107.08578	14.1
109.10132	17.3
111.08040	3.9
113.00020	51.5
115.05473	5.6
115.97421	3.9
117.07031	30.4
119.08589	31.4
121.10123	12.0
123.11681	6.0
128.06209	4.0
129.06999	18.4
131.08594	49.7
133.10126	13.5
134.98193	6.9
135.11676	4.7
137.13222	4.9
141.06970	9.0
143.08533	15.4
145.10114	39.8
147.11661	8.2
155.08537	8.0
157.10124	15.4
159.11682	24.7
161.13171	5.5
161.76379	3.8
168.15106	3.8
169.02628	32.1
169.10155	10.1
171.11702	12.8
173.09625	6.1
173.13239	19.9
175.14806	6.3
183.11690	8.2
185.13206	15.3
187.11119	6.8
187.14822	20.1
197.13208	8.4
199.14873	5.2
201.16389	15.0
211.14906	7.8
225.16380	5.1
239.23587	5.8
241.19547	8.1
243.21098	26.5
257.22754	8.2
262.34174	3.9
267.21112	56.2
268.33994	5.0
269.22729	5.5
285.22116	84.3
313.27368	92.0
323.23511	4.1
341.24615	34.4
359.25711	8.9
597.48755	100.0
709.47742	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	708.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.3
55.01876	1.6
65.03950	0.5
66.05205	0.2
66.08572	0.2
67.05501	0.9
68.33177	0.3
69.03459	0.3
69.07070	19.2
71.38522	0.5
77.03917	0.2
79.05501	3.9
81.07049	0.5
83.05031	0.3
91.05485	15.1
95.04976	0.4
97.06535	22.7
105.07027	0.5
107.05002	0.3
109.06523	1.0
119.04949	11.6
119.08577	0.3
121.06497	0.5
133.10170	0.4
135.04408	0.7
135.11647	0.3
136.05211	1.9
137.05984	100.0
138.06323	1.2
147.04411	0.3
149.06001	1.4
149.35736	0.2
157.97437	0.3
163.03906	2.7
163.07457	0.3
164.06885	0.3
166.08704	0.4
171.55580	0.2
173.05940	0.5
175.14764	0.5
186.06705	0.4
187.11145	0.3
206.04465	0.5
215.10619	1.5
233.11731	84.1
234.12012	1.6
250.14394	54.9
251.14665	1.0
370.17346	0.4
406.97049	0.2
407.18427	0.3
708.31738	0.3
723.63080	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01589	0.2
51.02378	0.3
53.03953	0.9
55.01865	0.2
55.05501	0.5
56.05020	0.1
57.22928	0.1
58.06599	1.8
60.08165	0.2
60.51489	0.1
69.03426	0.5
71.07461	0.2
71.07823	0.2
72.08160	1.2
72.93748	0.1
73.02923	0.3
73.04019	0.3
73.06554	0.6
77.03922	0.4
78.04699	0.2
79.05488	1.7
81.03419	0.8
85.02902	1.2
86.06075	0.2
87.00825	0.5
90.09197	0.3
91.05459	0.2
94.06567	2.3
95.04982	0.6
97.02879	1.0
99.04448	0.2
105.01875	0.4
105.04518	0.4
106.06554	100.0
107.06877	1.1
109.02877	1.1
115.08712	0.1
116.07095	6.9
120.01162	0.3
127.03919	1.1
128.94824	0.1
132.04448	0.9
132.95798	0.3
134.05988	0.6
136.97275	0.1
137.06007	0.6
138.03722	0.2
145.04935	0.2
153.99919	0.2
158.97426	0.3
159.02988	0.2
175.14372	0.3
179.11801	3.1
179.13356	0.2
189.09128	0.2
191.11794	10.0
192.07684	0.7
216.98000	0.1
223.09123	0.2
231.05099	0.4
233.11859	0.2
234.12360	2.7
234.98903	0.6
259.05826	0.2
285.03690	0.4
288.17142	0.1
294.18079	0.4
306.18121	4.4
306.21518	0.3
307.18405	0.1
319.01147	0.3
344.11032	3.1
345.11285	0.1
459.17249	0.3
707.37939	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.5087
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
55.05510	7.4
57.03436	0.5
57.07076	2.9
67.05504	11.3
68.58646	0.3
69.03426	0.4
69.07066	12.8
70.27628	1.1
71.04990	1.4
71.08613	1.1
79.05492	4.7
81.03417	0.8
81.07056	18.3
83.04977	0.3
83.08617	11.5
85.06525	1.2
85.10174	0.6
86.09697	0.7
87.00938	0.3
89.03921	4.3
91.05479	2.9
93.07043	5.2
94.56127	0.3
95.04985	0.6
95.08604	17.4
97.06534	1.7
97.10169	9.6
99.08072	1.2
105.07030	2.3
107.04945	1.2
107.08591	3.1
109.10152	8.9
111.08081	1.3
111.11726	3.7
113.09663	0.3
117.03382	4.7
117.07011	0.5
119.08569	2.2
121.10139	5.8
123.08025	0.4
123.11703	3.6
125.00015	0.3
125.09672	0.9
125.13252	2.1
127.03919	0.3
131.08569	0.6
133.10133	3.2
135.04414	11.7
135.11696	5.0
137.09598	0.8
137.13240	2.4
139.11180	1.0
139.14803	0.7
145.02850	9.0
145.04008	0.5
147.11693	2.5
149.13255	1.0
151.11186	0.9
151.14825	1.6
153.12770	0.8
155.10619	0.4
157.12164	0.3
159.11685	0.3
160.03667	0.3
161.13316	1.8
163.03900	100.0
163.14816	0.3
164.04247	1.3
165.12756	1.1
165.16438	0.4
169.12305	0.4
171.13826	0.5
175.14792	0.8
179.14296	0.6
181.04916	2.0
184.07416	2.0
186.05536	0.4
189.16273	0.3
193.15839	0.3
193.19566	0.6
202.06412	0.3
208.14833	0.3
217.19510	6.3
221.22673	0.4
235.20575	7.7
236.14886	0.3
239.23727	1.4
245.57950	0.3
253.21625	16.8
257.24747	6.2
271.22687	6.2
410.08347	0.4
415.24872	0.9
419.27795	1.4
433.25824	1.0
461.43951	0.3
707.40186	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
66.87751	0.4
70.14486	1.8
75.45567	0.4
78.58134	0.4
82.99874	1.9
86.83244	0.4
94.99830	0.7
97.02897	0.8
98.20835	0.6
101.00880	6.1
109.02912	0.5
110.01362	0.7
110.03206	0.4
113.00885	1.5
113.50954	0.4
119.01146	0.8
119.01923	8.1
122.01385	1.8
127.02425	1.9
128.01372	1.5
129.00360	0.6
131.01926	5.8
131.51906	0.8
137.01904	2.5
137.02899	0.7
137.52005	0.9
139.02388	0.6
143.01906	22.1
144.08286	0.5
145.03493	5.9
147.01418	1.1
149.01886	1.3
152.02425	1.8
155.01891	11.8
157.03444	3.7
158.02393	0.8
161.02966	11.9
164.02521	0.8
167.01897	9.9
169.03445	2.6
171.05057	2.0
173.02957	14.0
173.53105	1.1
175.04527	0.8
179.01862	3.9
182.03481	1.0
185.02962	30.3
186.03011	0.7
187.04575	3.3
191.03908	0.4
193.64194	0.5
194.03531	0.5
197.02963	13.4
199.04581	0.8
203.03979	11.5
203.54124	0.8
209.02946	1.3
215.04012	6.5
221.02974	0.5
224.04555	1.6
227.04007	8.9
233.05064	0.5
235.46574	0.4
245.05084	100.0
246.05341	2.4
254.05556	0.9
257.05075	5.3
263.06149	10.0
270.03079	0.5
275.03119	0.6
275.06149	11.1
284.06659	3.3
284.56848	1.2
293.07251	2.8
305.07184	11.7
317.07129	0.5
330.37143	0.5
335.08221	3.8
347.08112	1.1
365.09317	48.1
365.59323	0.7
366.09232	0.8
383.10342	2.2
403.43787	0.5
425.11444	34.9
426.11554	1.2
437.11673	2.1
455.12579	1.6
485.13016	0.7
700.57550	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15882	0.4
53.91278	0.5
59.32726	0.4
69.03452	0.5
69.21351	0.6
69.21648	4.7
77.65197	0.5
81.03396	0.5
82.99870	1.4
85.02901	0.8
87.31785	0.4
89.62096	0.4
91.45631	0.4
97.02911	0.7
101.00889	6.8
109.02850	0.5
113.00871	1.3
117.63329	0.5
119.01937	8.4
122.01374	2.9
122.51519	0.8
127.02405	1.5
128.01361	0.7
131.01903	5.3
131.51991	0.6
137.01892	1.5
139.02420	0.6
143.01901	20.0
143.51974	1.2
145.03493	7.1
147.01407	1.0
149.01932	1.2
152.02475	1.3
155.01894	10.6
157.03510	2.9
161.02954	11.1
161.04185	0.9
163.04562	0.7
164.02348	0.6
167.01907	8.8
167.03149	0.9
169.03493	3.7
171.05061	2.0
173.01451	0.7
173.02979	14.4
173.53055	0.5
179.01915	3.5
185.02968	32.1
186.03035	0.8
187.04530	2.5
191.03989	0.7
197.02969	13.2
199.04446	0.6
203.03983	10.1
203.54123	1.2
209.02998	1.2
215.04005	6.7
221.05048	0.9
224.04584	1.0
227.04016	7.1
233.05109	0.7
245.05087	100.0
246.05293	2.8
254.05635	1.2
257.05075	5.3
263.06152	12.9
275.06128	9.8
284.06662	3.4
284.56906	1.3
293.07126	1.8
305.07193	10.6
335.08267	3.4
347.08145	1.1
365.09348	44.0
366.09515	2.1
383.10367	1.5
407.10675	0.6
410.11337	0.5
425.11447	34.6
426.11597	0.9
437.11218	2.1
455.12540	1.6
485.13855	0.6
559.02985	0.5
715.52094	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.3
53.73322	0.4
54.51660	0.4
55.01855	1.8
55.05511	3.2
57.03427	1.1
57.07062	0.7
59.04988	1.7
59.99108	2.5
61.02943	0.6
64.16157	0.4
65.03934	1.2
66.18948	0.5
67.05187	0.8
67.05506	8.7
68.99792	1.3
69.03428	5.1
69.07070	3.6
71.04985	0.8
71.08624	7.4
71.48706	0.8
72.08135	1.0
73.02911	1.1
73.06551	4.1
79.01836	0.8
79.05495	3.7
81.03418	9.6
81.07050	3.7
83.04964	0.6
85.02911	4.3
86.06052	2.4
89.05981	0.5
91.05485	3.3
93.03408	0.8
93.07045	3.2
95.04970	3.8
95.08609	3.1
97.02290	0.9
97.02892	11.4
97.06531	0.5
99.04435	1.7
99.08087	5.5
102.00098	0.7
104.99869	0.5
105.07018	2.2
106.06557	29.0
107.01311	2.6
107.04978	2.5
107.06916	0.5
107.08595	1.7
109.02884	5.4
109.06535	0.8
109.10159	7.6
115.08673	0.7
117.07014	0.7
117.09076	0.5
119.08616	2.9
121.02870	6.3
121.06454	0.7
123.04437	1.5
125.02318	1.9
127.03915	8.2
131.07498	0.5
131.08551	1.8
132.04788	7.6
133.06496	0.6
133.10103	0.6
134.05975	2.2
135.04453	0.9
137.02333	9.5
137.09619	9.9
145.04977	2.2
149.02347	6.6
149.09605	2.2
151.03955	0.5
151.11211	1.3
157.13339	2.9
159.04445	0.7
159.08049	1.2
161.09615	1.0
162.33301	0.5
163.03873	0.9
167.03413	3.3
175.05362	0.6
177.09108	25.8
179.10628	3.5
191.11757	0.8
195.10179	3.8
197.11668	0.6
205.08592	6.6
206.73763	0.5
208.05379	2.3
217.10069	2.8
223.09653	100.0
224.09991	1.5
229.14334	0.6
241.10661	3.3
247.13177	0.7
250.10078	2.2
280.11188	1.7
287.12698	0.5
295.11777	1.1
303.12326	0.6
321.13330	10.9
331.12012	0.8
339.14279	1.4
349.12772	8.5
367.13889	22.1
379.15195	3.6
385.14874	3.3
396.17816	1.4
484.21054	2.2
516.19525	0.6
541.27869	0.5
601.24255	2.8
608.87109	0.6
665.21106	0.6
706.29706	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	1.2
53.03938	1.5
55.05513	1.1
56.96539	1.2
59.04998	1.4
61.02905	1.0
67.05489	3.4
69.03382	1.0
69.07060	0.7
71.04967	1.0
73.02903	0.8
73.06541	2.1
74.75344	0.7
75.13734	0.7
76.76524	0.8
77.03882	0.9
79.05487	6.9
81.03403	1.4
81.07040	3.5
83.08571	1.1
85.02886	1.2
87.04466	6.4
89.06031	88.2
89.48506	0.9
91.05476	7.2
93.07027	3.5
95.04964	1.1
95.08588	2.2
103.05463	14.2
105.07031	100.0
107.07050	1.9
107.08565	2.1
107.95692	0.9
109.10133	1.1
113.18789	0.8
117.07062	0.9
119.08553	1.4
121.10123	1.6
123.11748	1.1
124.99903	1.0
128.06197	0.8
129.06990	2.3
131.07019	3.3
131.08554	2.9
133.08606	34.1
135.04445	1.0
135.11630	0.9
145.02916	0.9
153.94666	0.8
163.03908	4.7
164.04353	1.1
171.08015	1.2
177.11230	21.9
179.08601	0.9
184.07336	2.6
193.10196	1.0
195.08032	1.0
206.10950	1.0
207.07976	0.8
207.11678	2.9
221.09525	2.0
221.13699	0.8
223.11024	5.0
225.13687	0.9
229.09892	1.1
234.10498	1.2
237.13803	1.5
249.12753	13.6
251.08997	0.8
251.14258	1.0
265.16229	1.3
267.13873	0.8
271.15536	0.9
275.25830	0.8
283.17462	1.1
301.15897	3.4
316.08820	0.8
317.40158	0.8
327.17441	17.0
353.18982	0.9
371.20059	2.2
375.21365	0.9
405.22144	35.0
406.22406	2.0
435.70386	0.8
458.58368	0.9
458.76282	0.7
461.19046	1.3
461.25354	15.8
475.26440	1.7
501.88150	0.8
552.22552	1.1
565.31653	45.4
566.32043	1.8
567.25751	0.9
594.23950	1.8
654.26459	16.2
669.37769	12.1
686.28400	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	703.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05437	1.0
59.04908	1.1
59.42387	0.7
67.05382	2.8
69.06976	1.3
69.29114	2.9
69.29544	3.1
69.50065	0.7
70.70092	0.7
79.05358	2.5
79.05819	1.4
80.94489	0.8
81.06912	2.6
81.07375	1.3
83.04892	1.0
87.04336	0.9
89.05899	1.8
91.05372	1.5
93.06889	2.2
93.07435	0.8
95.08494	1.6
98.21520	1.4
105.06878	4.2
106.06450	0.7
107.08466	1.7
107.09102	0.8
109.10050	1.1
111.07943	0.8
118.06406	0.7
119.08460	1.3
120.08019	1.2
121.10033	1.2
122.09473	0.7
124.55957	0.7
125.13825	0.7
130.06320	0.8
132.08009	1.4
133.08490	0.7
133.09961	0.8
135.11578	0.8
144.07950	1.0
145.07484	1.3
159.09062	1.3
163.03763	2.1
172.07465	0.9
173.06940	2.1
177.07660	2.6
177.11034	0.9
180.10092	1.1
181.04713	0.7
183.09090	1.2
184.07225	0.7
185.07039	0.7
187.08475	2.1
196.09787	1.1
197.10509	2.0
201.06432	2.6
207.08932	0.9
208.09596	2.2
208.11301	1.0
209.10530	3.2
210.11360	3.0
211.08476	0.8
211.12276	3.8
212.12981	1.0
215.08070	1.7
219.11259	1.2
221.10512	1.2
222.11113	1.1
222.12822	1.7
223.12106	5.5
224.13036	6.7
225.06566	1.1
225.13885	5.3
226.14526	1.4
229.05902	2.0
233.12823	1.0
234.11119	0.7
235.12247	1.6
236.12938	1.4
237.10020	1.2
237.13878	11.6
238.14650	7.1
239.15439	6.0
240.16162	1.7
243.07602	1.3
250.10867	0.9
251.11641	1.7
252.12372	1.6
253.13393	3.6
261.12030	0.9
265.13416	6.3
266.14124	4.7
267.14957	5.7
271.10837	0.8
272.09213	1.1
275.10175	1.7
276.15756	0.7
286.13171	1.0
290.16299	1.0
297.12277	1.5
299.10156	1.6
300.14963	1.4
301.15579	1.2
302.16388	0.9
305.16071	0.9
309.15811	3.1
314.16327	2.0
315.09763	1.2
315.17218	0.9
316.17984	1.1
317.11249	2.0
325.15518	4.4
326.16351	1.0
327.16916	2.1
328.18018	1.5
337.15646	0.8
352.18164	0.9
365.18176	0.8
366.15939	1.1
367.15710	0.8
369.16901	1.3
373.18185	1.0
374.18600	1.3
382.18820	1.1
383.18457	1.6
385.19559	0.9
386.18381	1.5
387.19455	1.3
388.20126	3.6
389.20786	0.9
393.17267	1.2
396.16431	1.0
397.16373	1.2
402.21674	2.4
403.22556	1.1
404.23141	2.6
406.18228	1.1
408.16364	0.9
410.18704	0.9
411.17993	1.1
412.18695	1.2
421.16211	1.3
425.20203	0.8
427.21237	3.1
430.21289	1.8
437.19757	1.0
440.18237	0.9
451.20508	0.9
453.20786	0.9
455.20422	2.3
456.22113	0.8
462.20532	1.1
467.20523	1.2
468.22183	2.0
470.23349	1.6
480.22769	1.5
481.22385	1.0
482.21725	1.0
485.25464	1.6
490.23257	4.7
491.23956	2.8
495.24142	1.7
496.22073	1.6
497.24347	2.8
498.23294	4.7
499.23141	2.2
506.20444	0.8
508.21420	0.8
509.22311	0.9
512.23828	1.5
513.25439	5.0
514.25488	5.0
523.23151	4.5
524.22913	2.3
527.23169	1.5
541.24707	8.7
542.25037	2.1
551.22809	3.6
552.21069	1.6
555.25446	1.1
556.25488	1.3
565.31567	0.9
569.24023	7.2
573.27008	1.0
583.25171	3.7
584.25543	2.1
601.26581	10.8
611.15002	1.1
611.24933	22.5
612.25659	1.1
613.27045	0.8
626.24615	0.8
629.26093	21.4
630.26227	1.0
639.24475	1.6
643.27637	33.4
644.27686	1.8
653.26526	0.9
657.26007	1.1
661.28448	6.2
671.27124	100.0
672.27441	3.3
703.29718	25.4
704.29962	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.5358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.2
55.05503	4.5
55.19117	1.1
57.03414	1.4
57.07076	47.6
58.06606	3.8
59.04984	3.3
59.96821	1.1
67.05514	8.2
69.03439	1.9
69.07070	8.2
69.26895	1.1
71.08633	48.5
71.49295	1.7
73.02917	1.5
73.06570	5.7
79.05484	4.2
81.03381	1.4
81.07044	7.7
83.08621	4.9
85.10186	31.4
86.09739	2.4
87.04466	13.8
89.06033	100.0
91.05481	4.2
93.07065	4.2
95.08612	7.5
97.10181	4.6
99.11711	7.5
105.07024	8.0
105.45889	1.2
107.07105	1.2
107.08615	2.9
109.10160	1.8
111.11716	4.5
113.13278	4.5
117.06939	1.1
117.09117	8.8
119.08591	1.8
121.10129	3.7
123.11710	1.3
125.13248	1.8
127.14846	3.9
130.08611	1.9
131.07040	4.5
131.08595	1.8
133.08606	63.6
135.11679	3.0
144.10204	1.3
161.11737	3.4
163.03902	2.0
164.04332	1.4
175.09674	1.8
177.11223	27.3
183.21111	2.0
184.07343	7.6
221.13838	6.6
224.46022	1.1
227.23695	2.5
235.20636	1.6
236.14940	8.8
237.15370	1.2
251.20111	2.6
252.20309	1.5
265.16379	1.6
271.26410	2.0
313.27579	1.7
315.28964	2.3
338.66553	1.3
371.08411	1.2
404.80911	1.1
417.29468	1.4
503.30511	2.7
573.49042	1.5
666.49023	3.8
684.45923	2.7
685.50958	5.8
702.39093	1.6
702.51501	6.5
703.40277	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57886	0.4
54.78407	0.4
55.05511	1.0
57.03429	0.5
57.48950	0.4
59.04996	1.3
67.05496	2.3
67.23634	0.4
69.03409	0.7
69.07075	1.0
70.93571	0.8
78.36393	0.4
79.05504	2.3
81.03433	1.0
81.07063	2.8
83.05009	0.5
83.08629	0.4
85.06583	0.5
87.04453	0.5
89.06032	0.5
90.44337	0.5
91.05489	1.6
93.07053	1.6
94.07410	0.4
95.08590	2.1
97.06542	0.7
105.07029	2.1
107.08623	1.2
117.06988	0.5
118.06569	0.7
119.08629	0.8
121.10165	1.4
122.09668	0.7
131.08649	0.5
133.10162	0.8
135.11745	1.0
144.08092	0.6
145.10168	0.6
147.37607	0.4
163.03902	2.3
164.04265	0.5
168.08197	0.7
169.10185	0.4
172.07639	1.2
177.07867	0.9
183.09235	0.5
184.07491	0.6
193.09015	0.5
194.09818	0.5
195.09198	1.7
196.09946	1.2
197.07164	1.1
197.10791	0.8
207.09213	1.2
208.09860	0.9
209.10712	7.7
210.11552	1.9
211.08746	1.0
211.12411	1.3
221.10638	2.1
222.11459	3.6
223.08716	1.2
223.12270	6.1
224.09470	0.9
224.13080	5.6
225.06677	1.6
225.13867	5.7
226.14549	0.6
232.09734	0.8
233.10796	0.6
235.08655	1.2
235.12358	1.8
236.09470	0.6
236.13144	1.4
237.10306	3.0
237.13866	15.6
238.14655	6.0
239.08224	4.7
239.15506	1.7
248.10808	0.5
249.10332	0.5
249.13930	0.6
250.11153	1.5
251.08301	0.5
251.11858	2.0
251.20093	0.8
252.12665	1.7
253.09822	1.3
253.13470	2.0
255.11252	0.5
257.09424	0.5
263.08197	1.9
265.10483	0.7
265.13373	8.9
265.16052	0.8
266.14148	3.2
267.07666	5.0
267.14917	0.8
269.09314	1.3
271.10739	0.7
275.15518	0.6
281.09262	2.7
285.08762	0.7
297.08621	0.6
297.12506	1.2
298.13388	0.6
299.10336	3.2
301.11905	0.6
309.08838	1.2
312.14914	0.9
313.11908	1.9
313.15445	0.5
325.15509	4.1
326.16412	0.8
341.11346	6.9
342.12045	0.5
352.18198	0.5
356.14102	0.6
401.21396	0.6
405.17545	0.8
406.18491	0.9
407.19141	0.6
417.16727	0.8
419.15192	0.5
420.15790	1.2
421.15997	0.9
421.20807	0.7
433.16663	1.6
434.17703	1.4
435.18561	1.4
447.18781	0.8
448.19147	0.9
449.19733	1.5
451.21536	0.7
458.17218	0.6
459.18103	0.9
461.16333	1.4
462.16635	0.8
463.17065	0.7
463.21872	0.7
474.18906	0.6
475.17264	1.0
476.18866	1.8
477.18964	2.1
478.19867	0.9
480.22067	0.5
490.20758	0.7
491.21164	2.5
492.21628	0.8
505.22305	1.5
507.19781	0.8
508.21396	1.2
509.21802	0.6
517.19427	0.6
519.20074	1.1
522.22968	0.8
523.23853	3.3
533.22101	2.1
534.22742	0.6
535.20148	1.0
537.21686	1.4
538.25531	1.0
547.23083	1.2
549.24030	0.9
550.22681	1.9
551.23218	4.6
565.24353	3.8
566.25378	4.8
570.21936	0.5
576.21362	0.8
578.21521	0.7
579.21899	0.6
593.24017	12.2
594.24200	1.1
611.25012	5.0
621.23395	2.1
625.25220	3.9
635.24976	1.8
653.26080	100.0
654.26318	4.4
667.27051	0.5
685.28851	11.1
703.39691	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.5147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.5
55.01868	0.9
55.02148	0.4
55.05480	1.2
57.03444	3.8
57.07080	5.2
58.06604	28.3
59.04976	0.9
59.07389	8.6
60.08170	7.5
67.05516	4.0
69.03394	0.4
69.07079	2.3
69.21097	3.3
71.04967	0.4
71.08639	3.2
73.02905	0.8
75.04478	2.4
79.05505	2.4
81.03423	4.9
81.07065	4.2
83.08619	2.1
84.08128	0.8
85.02898	2.2
85.10224	1.7
85.10593	0.4
87.04476	3.5
89.06030	3.7
91.05453	1.5
92.79358	0.4
93.07059	2.1
95.04945	1.4
95.08627	3.6
97.06511	0.5
97.10177	0.8
100.11257	0.4
102.05527	0.8
103.03882	0.6
105.07021	2.6
107.04949	0.4
107.08562	1.3
109.10124	1.4
111.11665	0.5
113.06001	0.5
117.09142	0.6
119.08543	1.1
121.10128	1.3
123.08055	0.4
123.11707	0.8
130.08646	0.8
131.07021	1.7
131.08543	0.8
133.08620	2.1
133.10077	1.0
135.11708	0.9
144.10207	13.7
147.11716	0.6
158.24168	0.4
162.11252	4.5
163.03920	0.7
164.04185	0.5
177.11256	0.7
187.91428	0.4
200.12814	0.7
218.13866	1.1
236.14946	83.1
237.15266	1.4
251.19998	1.8
252.20424	0.6
313.27444	1.4
366.26492	0.6
393.39542	0.5
410.25360	3.3
412.37814	1.0
428.26575	5.8
439.87503	0.4
456.36862	7.5
474.37964	14.8
475.38330	0.8
476.67593	0.4
612.44727	1.2
666.49445	100.0
667.49725	4.9
684.50305	0.5
702.49994	1.8
703.30176	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.4939
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.2
54.64843	0.7
55.05519	8.7
57.03436	1.1
57.07075	1.5
59.05000	6.0
60.06344	0.7
65.03934	2.2
67.05508	53.2
68.79932	0.8
69.06726	1.2
69.07072	12.0
69.92934	3.7
71.04974	2.1
79.05497	23.3
81.07060	48.2
81.74142	0.7
83.08621	15.9
85.06524	3.8
87.04468	1.1
89.06038	3.9
91.05488	22.9
93.07053	30.9
94.07340	0.8
95.04967	1.1
95.08613	57.4
97.06540	8.5
97.10190	5.0
98.05081	0.7
99.08101	3.8
103.80389	0.7
105.07040	7.2
107.08605	17.7
109.06517	1.3
109.10161	21.9
111.08086	11.2
113.09706	1.0
117.07068	0.8
117.09100	1.2
119.04949	20.7
119.08582	7.4
121.10152	45.0
122.10458	1.1
123.11721	9.6
125.09617	2.1
128.99615	0.7
131.08571	2.7
133.08606	1.6
133.10143	19.7
135.11700	37.5
137.09601	2.5
137.13274	3.2
139.11174	2.0
145.10167	4.7
147.04420	64.3
147.11708	4.6
148.04651	0.8
149.09627	0.9
149.13258	8.7
151.11238	4.5
153.12700	0.9
154.00223	0.7
155.10712	1.2
159.11713	4.3
161.13226	1.3
165.05486	3.4
169.12259	0.8
173.13278	2.5
175.14905	1.2
184.07454	2.1
185.88002	0.7
187.14861	1.9
194.03867	0.9
195.13864	1.1
215.17966	15.9
217.19540	3.7
233.19019	11.1
235.18230	1.1
235.20587	22.3
246.35356	0.8
251.20085	100.0
252.20457	1.7
253.21626	6.4
267.52753	0.7
269.21136	25.1
275.21967	0.8
359.15720	0.7
424.16757	0.7
485.19855	0.8
573.48792	1.8
596.08777	1.0
652.28094	1.8
670.29199	3.4
671.11554	0.8
702.32104	10.6
703.31775	1.3
729.79822	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.4935
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91792	0.6
53.03930	1.5
55.05512	8.7
57.03433	1.7
57.07063	1.4
59.05003	5.9
65.03924	2.0
67.05505	46.4
69.06730	0.8
69.07067	8.9
69.16602	7.2
71.04977	1.9
71.08613	1.1
78.31845	0.6
79.05492	21.2
81.07056	42.4
83.04969	1.4
83.08155	1.0
83.08617	12.1
85.06540	1.6
87.31552	0.6
89.06008	1.7
90.47105	0.6
91.05482	19.7
93.07045	26.1
95.04966	1.1
95.08606	45.4
97.06535	8.5
97.10193	4.0
99.08089	3.1
102.31667	0.6
105.07030	6.6
107.08592	14.5
109.10155	17.9
111.08081	9.0
113.09620	0.9
115.07562	1.0
117.06989	1.3
117.09156	1.1
119.04942	13.5
119.08595	6.9
121.10144	40.3
122.10481	1.0
123.08023	0.8
123.11697	7.4
125.09595	2.2
130.27435	0.7
131.08571	2.1
133.08595	1.6
133.10123	16.4
135.11696	34.5
137.09604	1.7
137.13255	2.9
139.11148	2.0
145.10146	4.1
147.04408	47.4
147.11685	4.0
148.04768	0.8
149.13257	7.1
151.11189	3.5
151.14745	0.9
153.12730	0.7
159.11665	2.8
161.13203	0.9
163.03876	1.0
164.48788	0.7
165.05472	6.2
173.13254	2.4
175.14890	0.8
177.12785	0.8
187.14926	1.3
194.65028	0.7
195.13846	1.2
196.06914	0.6
215.17969	15.1
216.18314	0.8
217.19522	2.8
233.19012	9.3
235.20575	24.3
251.20065	100.0
252.20363	3.6
253.21620	6.5
269.21106	25.6
544.19995	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.4427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	5.1
55.05305	4.7
55.05513	44.5
57.03442	16.7
57.07076	13.7
58.02584	3.9
58.06592	7.8
59.04995	12.9
60.08183	4.4
61.02914	4.8
67.05514	72.2
68.05827	4.6
69.03427	9.3
69.07075	18.9
69.37125	16.4
69.37543	17.6
71.05013	4.6
71.08627	11.6
74.79979	4.3
79.05498	47.2
81.03432	12.4
81.07068	63.6
83.05013	9.3
83.08621	37.6
85.10208	6.0
85.35200	4.9
86.09717	16.7
87.04478	10.0
89.06024	17.8
91.05501	23.9
93.07048	54.7
95.04973	6.9
95.08615	49.2
97.02895	6.6
97.06569	4.6
97.10190	56.3
98.21542	7.4
105.07069	26.1
107.08622	38.0
109.10156	28.3
111.08118	4.3
115.28871	4.3
117.06986	11.2
119.08580	12.4
121.10170	25.2
123.11734	6.7
125.00007	8.7
125.09641	61.1
131.08611	7.2
133.08649	6.6
133.10152	11.5
135.08105	8.3
135.11713	17.9
140.13878	4.5
144.10176	5.5
145.10085	12.8
147.11717	6.4
149.13301	10.4
153.09134	6.1
159.11717	5.4
161.13255	5.6
163.03883	5.7
164.04288	4.7
171.10239	6.8
184.07365	39.8
189.11296	38.2
227.12791	69.1
227.20056	38.0
236.14922	16.7
245.13867	100.0
251.20085	6.3
261.22211	27.9
317.24689	5.2
335.25827	89.3
468.37854	4.7
487.34012	5.4
505.35312	58.1
627.23206	4.6
666.45496	8.0
670.25812	8.5
684.45313	12.4
702.27802	11.8
702.47833	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	702.4427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	5.1
55.05305	4.7
55.05513	44.5
57.03442	16.7
57.07076	13.7
58.02584	3.9
58.06592	7.8
59.04995	12.9
60.08183	4.4
61.02914	4.8
67.05514	72.2
68.05827	4.6
69.03427	9.3
69.07075	18.9
69.37125	16.4
69.37543	17.6
71.05013	4.6
71.08627	11.6
74.79979	4.3
79.05498	47.2
81.03432	12.4
81.07068	63.6
83.05013	9.3
83.08621	37.6
85.10208	6.0
85.35200	4.9
86.09717	16.7
87.04478	10.0
89.06024	17.8
91.05501	23.9
93.07048	54.7
95.04973	6.9
95.08615	49.2
97.02895	6.6
97.06569	4.6
97.10190	56.3
98.21542	7.4
105.07069	26.1
107.08622	38.0
109.10156	28.3
111.08118	4.3
115.28871	4.3
117.06986	11.2
119.08580	12.4
121.10170	25.2
123.11734	6.7
125.00007	8.7
125.09641	61.1
131.08611	7.2
133.08649	6.6
133.10152	11.5
135.08105	8.3
135.11713	17.9
140.13878	4.5
144.10176	5.5
145.10085	12.8
147.11717	6.4
149.13301	10.4
153.09134	6.1
159.11717	5.4
161.13255	5.6
163.03883	5.7
164.04288	4.7
171.10239	6.8
184.07365	39.8
189.11296	38.2
227.12791	69.1
227.20056	38.0
236.14922	16.7
245.13867	100.0
251.20085	6.3
261.22211	27.9
317.24689	5.2
335.25827	89.3
468.37854	4.7
487.34012	5.4
505.35312	58.1
627.23206	4.6
666.45496	8.0
670.25812	8.5
684.45313	12.4
702.27802	11.8
702.47833	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	702.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.7
53.03942	1.2
55.05507	1.9
57.03423	1.2
57.07070	2.7
58.06606	6.1
59.05005	3.6
59.07383	1.9
60.08150	1.9
67.05508	7.9
68.05846	0.8
69.07058	1.8
69.44327	0.5
71.08640	2.5
74.09705	0.5
77.03934	0.5
79.05073	0.7
79.05499	10.1
80.05835	0.7
81.03416	1.6
81.07053	6.6
82.07391	1.1
83.08614	1.7
85.06531	0.8
85.10183	1.1
86.09739	0.7
87.04472	13.2
89.06030	10.5
91.05479	4.4
92.05862	0.5
93.07038	5.2
94.07392	0.9
95.04990	2.3
95.08617	7.1
96.08968	1.3
97.06526	1.1
97.10165	1.2
103.03948	30.7
103.05445	5.3
103.07574	1.1
105.07034	100.0
106.07401	2.3
107.04957	0.9
107.07146	0.5
107.08607	2.5
109.06581	0.5
109.10165	2.5
110.10516	0.5
111.08104	1.2
113.06036	0.4
117.06982	0.7
117.09131	0.8
119.04955	0.5
119.08583	1.9
121.06512	6.2
121.10155	4.3
122.10493	1.1
129.06998	0.7
130.08589	0.6
131.07036	7.0
131.08496	2.4
133.06520	0.8
133.08595	4.9
133.10136	1.8
135.04460	0.6
135.08046	3.7
135.11693	4.5
136.12021	1.1
144.10172	2.9
145.10173	0.8
147.06541	2.7
147.08041	1.9
147.11716	0.6
149.09651	1.3
149.13295	0.6
151.92047	0.4
162.11211	0.6
163.03918	3.1
163.09618	0.5
164.04195	0.6
165.01117	0.5
165.09137	2.1
175.09680	2.6
177.09198	0.7
177.11252	1.1
179.10703	1.5
184.07346	0.9
191.09091	2.5
207.12225	0.8
209.11646	0.9
209.13330	1.6
215.18001	1.3
216.18320	0.5
221.11736	1.8
225.12773	2.4
227.12709	0.8
233.19029	0.9
235.11707	2.8
235.20590	1.2
236.14925	15.1
237.15250	0.9
241.14355	6.4
251.14302	2.5
251.20064	6.7
252.20454	3.4
269.15430	2.6
271.15323	0.7
295.17078	0.6
309.16895	3.4
313.17978	1.1
313.27209	0.8
327.17947	1.4
329.19019	1.4
345.20029	0.5
373.18466	13.3
373.22507	1.0
409.20288	1.2
410.25552	0.8
456.37061	0.9
474.37720	2.2
477.24698	7.1
555.26044	0.6
556.27295	0.6
598.27850	0.7
599.28815	2.3
643.27423	1.0
666.49463	14.4
685.28571	1.6
702.29242	0.8
702.50421	4.0
703.29523	1.7
703.40607	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.7
53.03942	1.2
55.05507	1.9
57.03423	1.2
57.07070	2.7
58.06606	6.1
59.05005	3.6
59.07383	1.9
60.08150	1.9
67.05508	7.9
68.05846	0.8
69.07058	1.8
69.44327	0.5
71.08640	2.5
74.09705	0.5
77.03934	0.5
79.05073	0.7
79.05499	10.1
80.05835	0.7
81.03416	1.6
81.07053	6.6
82.07391	1.1
83.08614	1.7
85.06531	0.8
85.10183	1.1
86.09739	0.7
87.04472	13.2
89.06030	10.5
91.05479	4.4
92.05862	0.5
93.07038	5.2
94.07392	0.9
95.04990	2.3
95.08617	7.1
96.08968	1.3
97.06526	1.1
97.10165	1.2
103.03948	30.7
103.05445	5.3
103.07574	1.1
105.07034	100.0
106.07401	2.3
107.04957	0.9
107.07146	0.5
107.08607	2.5
109.06581	0.5
109.10165	2.5
110.10516	0.5
111.08104	1.2
113.06036	0.4
117.06982	0.7
117.09131	0.8
119.04955	0.5
119.08583	1.9
121.06512	6.2
121.10155	4.3
122.10493	1.1
129.06998	0.7
130.08589	0.6
131.07036	7.0
131.08496	2.4
133.06520	0.8
133.08595	4.9
133.10136	1.8
135.04460	0.6
135.08046	3.7
135.11693	4.5
136.12021	1.1
144.10172	2.9
145.10173	0.8
147.06541	2.7
147.08041	1.9
147.11716	0.6
149.09651	1.3
149.13295	0.6
151.92047	0.4
162.11211	0.6
163.03918	3.1
163.09618	0.5
164.04195	0.6
165.01117	0.5
165.09137	2.1
175.09680	2.6
177.09198	0.7
177.11252	1.1
179.10703	1.5
184.07346	0.9
191.09091	2.5
207.12225	0.8
209.11646	0.9
209.13330	1.6
215.18001	1.3
216.18320	0.5
221.11736	1.8
225.12773	2.4
227.12709	0.8
233.19029	0.9
235.11707	2.8
235.20590	1.2
236.14925	15.1
237.15250	0.9
241.14355	6.4
251.14302	2.5
251.20064	6.7
252.20454	3.4
269.15430	2.6
271.15323	0.7
295.17078	0.6
309.16895	3.4
313.17978	1.1
313.27209	0.8
327.17947	1.4
329.19019	1.4
345.20029	0.5
373.18466	13.3
373.22507	1.0
409.20288	1.2
410.25552	0.8
456.37061	0.9
474.37720	2.2
477.24698	7.1
555.26044	0.6
556.27295	0.6
598.27850	0.7
599.28815	2.3
643.27423	1.0
666.49463	14.4
685.28571	1.6
702.29242	0.8
702.50421	4.0
703.29523	1.7
703.40607	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.7
56.32055	0.5
57.03437	0.5
61.02911	0.5
64.55373	0.5
65.10181	0.4
69.03409	1.0
71.02599	0.6
77.42660	0.4
78.70527	0.5
79.05488	0.9
81.03406	0.7
84.04496	0.7
85.02521	0.4
85.02905	4.9
85.04892	0.4
91.05477	6.6
93.75130	0.4
94.04182	0.9
95.04987	1.1
97.02866	2.1
97.06532	2.4
103.05454	0.8
105.07016	1.0
106.71989	0.5
107.04942	1.9
109.06522	1.3
115.05451	0.5
117.07060	0.6
119.04946	6.4
121.06493	1.7
122.03648	1.2
127.03928	0.9
129.07019	4.3
130.54643	0.4
131.04907	1.5
131.08591	0.5
133.06450	0.6
135.08037	1.5
136.05196	1.2
137.05978	28.6
145.04942	1.0
145.06482	1.2
147.04416	0.9
149.05959	5.0
151.03911	0.7
151.07545	35.4
157.06485	3.7
161.05949	5.2
161.09581	1.1
163.03897	0.7
163.06183	0.8
163.07529	10.1
165.07008	1.3
165.09105	1.8
167.08546	3.3
174.06747	2.0
175.07512	2.2
177.09117	4.5
178.07704	0.9
189.09106	13.4
193.06514	2.4
193.08380	0.6
193.10150	1.9
195.08054	6.8
197.05890	0.7
199.07863	0.4
203.08582	0.5
206.07188	0.5
207.08351	0.6
207.10143	3.1
209.09624	1.7
210.06784	0.9
211.07549	0.6
212.08357	1.3
219.10078	0.5
221.06055	2.5
221.09607	3.4
221.11699	1.0
222.06627	0.5
223.07506	3.2
224.08331	0.8
225.05476	0.4
225.09050	3.2
227.10669	13.7
233.11790	2.4
235.07436	0.6
237.09081	1.0
238.06294	1.4
239.10513	0.6
240.07733	1.2
241.12079	0.7
249.09114	2.5
250.14352	1.3
252.07809	1.0
253.08650	5.0
253.12230	6.8
254.09328	0.6
255.10150	12.3
264.16177	0.9
267.10220	2.4
269.08185	1.2
269.11533	0.9
270.08969	0.8
272.10452	1.3
281.11716	2.8
284.10382	0.6
285.11179	7.8
287.12781	20.7
299.12732	1.3
301.14450	0.6
311.12735	0.6
313.11581	0.4
313.14310	17.7
331.15396	100.0
332.15793	2.5
343.15347	3.4
408.10358	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.4621
Annotation	Desacetylnyalolide
Peak:m/z	Relative Intensity
53.03942	2.5
55.01892	1.0
55.05510	12.4
57.07065	1.6
65.03930	2.6
67.05506	64.9
67.49068	0.9
69.07067	12.9
71.04985	1.6
79.05497	28.6
81.07058	62.1
83.04973	1.3
83.08620	14.6
83.86314	0.9
85.06528	3.3
89.03909	3.9
91.05480	14.3
93.07047	39.6
95.05003	1.0
95.08610	62.4
97.06529	11.4
97.10162	6.2
98.20702	2.0
99.08079	3.0
100.35637	0.9
105.07035	8.3
107.04932	1.1
107.08596	20.6
109.10161	25.2
111.08089	13.4
113.09631	1.3
115.07568	1.5
117.03394	5.7
119.08586	10.4
121.10149	51.6
123.11717	10.1
125.09631	1.3
131.08592	2.3
133.10133	20.6
135.04433	11.6
135.11691	46.8
137.09593	3.7
137.13242	5.0
139.11188	2.2
145.02844	7.5
145.10141	4.2
147.11717	5.6
149.13254	10.6
151.11195	5.1
153.12845	1.3
159.11696	2.8
163.03912	42.1
166.96338	1.2
173.13263	2.3
175.14818	2.0
176.75049	0.8
181.04942	4.6
187.14790	2.6
195.13791	1.4
215.17963	18.5
217.19534	5.3
229.07793	1.0
233.19041	11.3
235.20570	17.6
251.20073	100.0
252.20345	1.9
253.21634	3.8
269.21088	11.8
269.23679	1.5
286.68607	1.0
396.91702	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96484	0.7
54.76171	0.7
55.05510	1.4
57.03430	1.0
57.07069	1.9
58.06595	0.7
59.05008	5.8
67.05503	3.5
69.07073	3.0
71.05002	0.9
71.08624	1.9
76.15478	0.7
79.05482	3.8
81.07062	4.1
83.08600	1.6
89.06052	2.1
91.05481	1.8
93.07050	1.9
95.08608	4.2
101.06001	1.0
105.07060	1.7
107.08588	0.9
109.10205	1.4
117.09167	1.9
121.10162	2.2
131.08618	0.9
133.10138	1.5
135.11710	2.3
151.24130	1.0
154.04436	0.7
163.03967	1.1
215.17992	1.1
223.12154	0.8
236.14984	1.0
237.13879	1.2
238.14722	1.6
239.15520	1.2
251.20131	4.8
269.21021	0.8
289.17075	1.0
301.56918	0.8
393.20743	1.2
405.16943	1.1
421.20303	1.6
423.21756	6.7
435.21939	2.3
436.22791	1.0
437.23706	3.7
438.24326	1.3
447.22000	1.2
448.18878	1.1
461.19839	1.3
463.21411	2.7
465.23538	1.3
475.21347	1.7
479.24347	2.0
480.21732	1.2
481.22620	1.1
491.20734	1.4
493.22739	1.4
495.23666	1.4
505.22375	1.4
523.27362	4.6
524.27881	2.6
525.25250	1.1
551.26416	2.7
553.24542	1.4
561.24774	1.1
567.25671	1.2
577.24426	1.6
578.24835	1.1
579.25574	4.0
589.24500	1.2
591.24890	1.0
605.24219	1.1
609.27032	1.4
610.27112	1.8
611.28674	8.0
637.26538	2.8
651.28137	10.9
655.28033	1.5
669.29205	26.8
670.28912	3.7
701.31830	100.0
701.50677	3.0
702.32025	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	701.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73613	0.7
53.03951	1.0
55.05503	1.5
57.03432	0.8
57.10262	0.9
59.05003	6.9
67.05507	4.6
67.05936	0.6
69.07076	1.7
71.49627	1.3
71.59832	0.8
79.05484	3.6
81.07059	5.3
83.08633	1.6
85.10174	0.8
87.04482	1.5
89.06032	1.5
90.81704	0.7
91.05482	1.2
93.07050	4.1
95.08605	4.7
97.06522	0.8
103.07646	0.7
105.07088	1.6
106.52885	0.7
107.08601	2.3
109.10207	1.7
111.08096	1.4
111.72926	0.7
115.07586	1.0
117.09126	1.5
119.08592	0.7
121.10172	3.2
133.10158	2.5
135.04416	0.7
135.11742	2.4
140.65399	0.7
145.10118	0.8
149.13329	0.8
163.03954	2.4
173.13153	0.8
193.08180	0.8
197.12978	0.7
215.18076	1.3
235.20581	1.5
236.14786	0.8
237.13878	1.3
239.15581	1.0
249.14066	0.9
250.14574	0.7
251.20094	7.3
269.21222	0.8
275.15515	0.7
277.13391	0.8
313.27502	0.8
317.15860	0.8
379.19302	0.9
408.19763	0.8
409.20447	1.7
423.21979	5.9
437.23486	3.2
438.24185	1.2
452.22321	0.8
461.20508	0.8
461.84067	0.9
465.22516	1.0
469.25839	0.9
475.21686	1.8
477.19284	1.4
491.20938	2.1
492.21460	1.0
493.22827	1.0
498.26837	1.0
511.27231	1.2
522.25745	1.1
523.26685	2.2
525.25275	1.0
529.28918	1.0
539.26495	1.2
540.27795	0.8
542.42786	0.7
551.26691	3.0
551.64862	0.8
567.26239	1.7
572.48022	1.1
579.25800	4.4
581.25378	0.9
595.25787	1.6
610.27240	1.0
611.28693	6.0
627.27692	1.4
641.28778	0.8
655.27759	1.9
669.29193	17.9
670.29840	2.0
701.31824	100.0
702.32159	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	700.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02395	0.4
53.03958	0.5
55.01866	0.4
55.55338	0.3
57.03424	0.7
58.58725	0.4
61.02913	0.4
69.03429	1.2
69.07078	0.6
70.06594	0.6
71.49033	0.5
79.05480	1.8
81.03423	0.5
81.07072	0.6
85.02916	4.1
91.05489	2.9
94.04179	2.1
95.04963	0.4
97.02893	1.3
97.06535	6.4
99.04469	0.4
103.05484	0.8
105.07030	4.2
107.04943	1.0
109.06533	1.8
115.05463	1.6
117.07022	0.9
119.04957	1.2
119.08581	1.6
121.06569	0.4
122.03622	3.3
123.04531	0.6
125.73204	0.4
127.03899	0.8
128.06241	1.5
129.06993	1.3
131.04930	1.3
132.05704	1.1
133.06499	5.4
135.04437	0.4
137.05983	100.0
138.06355	1.1
141.06917	0.5
143.04893	0.4
144.05708	0.8
145.04968	0.7
145.06494	0.8
146.03613	0.4
147.04413	2.2
147.08047	1.7
149.05994	1.2
151.07555	1.1
155.04916	1.3
157.06552	0.6
159.08025	2.4
160.05211	0.8
161.05991	13.3
161.07288	0.9
163.03830	0.5
163.07562	0.9
165.07088	0.5
172.05161	1.5
175.07555	21.9
177.09160	0.5
179.07036	1.3
184.05240	0.6
187.07550	9.0
189.07089	0.5
189.09100	1.4
190.07768	2.2
191.08574	8.7
199.07556	4.0
202.07782	1.3
203.08658	2.9
205.06432	0.6
205.08354	0.5
205.10176	0.6
207.08087	0.8
208.08878	1.0
217.08621	2.1
218.07266	1.7
219.08063	12.9
220.08815	1.9
231.08020	3.8
232.08839	0.8
233.09612	0.9
233.11739	6.3
235.07462	1.0
236.08308	2.4
247.07561	5.4
248.08330	2.2
249.09201	0.7
250.14398	7.6
251.10680	22.1
252.10991	0.6
253.08511	0.6
259.07520	2.1
260.08328	0.9
261.09222	1.9
263.10654	2.1
264.07880	1.8
265.08572	0.7
276.07822	1.1
277.08606	1.3
279.07089	0.9
279.10184	16.5
280.10883	1.0
281.08170	1.1
291.10205	5.7
292.10959	1.9
293.08136	0.6
295.13211	0.7
296.10449	1.4
308.10333	1.0
311.12793	53.7
312.13202	1.2
313.14319	1.5
323.12808	17.8
324.12924	0.9
325.14127	0.5
341.13812	8.2
401.35156	0.5
473.18143	0.5
485.17911	0.6
503.19061	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	699.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72018	0.2
60.50055	0.2
67.05502	0.7
69.32874	1.8
74.29758	0.2
79.05495	0.6
81.03446	0.2
81.07056	0.7
81.88985	0.2
91.05489	0.4
93.07060	0.5
98.21463	0.5
105.07034	0.5
109.47334	0.2
117.07062	0.3
119.08566	0.4
126.21372	0.3
133.10129	0.3
137.06062	0.2
146.24547	0.2
168.48398	0.2
183.36739	0.2
185.04297	1.1
301.20319	0.7
347.09711	1.0
352.32758	0.3
375.24344	0.3
421.12796	0.4
537.30359	18.0
538.30963	0.6
617.20490	0.9
649.23260	0.3
667.24158	0.8
698.31793	0.4
699.35596	100.0
700.35840	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.4835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00270	0.4
53.03924	0.5
55.01852	0.6
55.05513	1.7
56.05012	0.3
57.03438	4.8
57.07081	4.3
58.06599	35.9
58.07011	0.9
58.42550	0.2
59.04977	0.9
59.07381	9.8
60.08162	9.8
63.01031	0.3
67.05503	2.9
69.03397	0.3
69.07033	1.2
69.94283	0.4
69.94685	0.9
71.08633	3.1
73.02878	0.9
75.04478	3.1
79.05457	1.3
81.03405	0.6
81.06589	0.3
81.07047	3.5
83.04954	0.5
83.08625	1.9
84.08099	0.8
85.02905	2.4
85.10178	2.0
86.09681	0.6
87.04462	3.8
89.05983	0.9
91.05491	1.9
91.05923	0.4
93.05505	0.5
93.07051	1.4
95.04946	0.4
95.08598	1.9
97.02876	0.5
97.06500	0.7
97.10151	0.7
98.21414	0.5
99.00803	1.8
100.11219	0.6
102.05522	0.6
103.03909	0.5
105.05511	0.7
105.07040	3.3
107.04927	0.7
107.08572	0.8
109.02834	0.9
109.06464	0.5
109.10114	1.3
113.06001	1.5
118.12296	0.4
119.08567	0.6
121.06464	0.5
123.11681	0.6
125.09525	0.3
130.08604	0.8
131.07050	1.5
131.08539	0.5
133.10101	2.2
142.12146	0.4
143.08531	0.5
144.10190	14.5
147.77911	0.3
151.11133	0.9
161.09572	0.7
162.11250	5.8
184.07346	0.7
200.12857	0.7
218.13885	1.2
236.14920	98.5
237.15344	0.7
313.27386	1.2
314.27719	0.3
319.05972	0.3
369.30130	0.4
398.25351	0.5
412.37946	0.9
442.24323	4.1
456.36801	6.1
460.25385	7.2
474.37918	13.1
534.46484	0.3
680.47198	0.4
698.48328	100.0
699.48920	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	696.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65921	1.8
53.03943	2.9
55.01870	2.0
55.05516	12.4
57.03430	5.8
57.07076	8.9
59.04996	4.0
61.02931	25.9
65.03937	2.7
67.05508	61.9
69.03434	4.7
69.07070	21.7
70.54350	4.0
70.54691	2.1
71.05000	2.6
71.08622	4.9
73.02926	10.5
73.06529	1.8
77.15663	1.6
79.05492	24.0
81.03418	4.4
81.07060	80.4
83.04932	1.6
83.08624	14.7
85.02905	29.2
85.10176	2.3
86.09708	2.0
86.37617	1.3
87.04472	3.8
89.06037	11.9
89.38885	1.4
91.03961	25.2
91.05482	19.5
93.07045	24.3
95.04965	2.3
95.08608	71.1
97.02892	13.1
97.06532	7.0
97.10175	9.2
97.10709	1.5
99.04459	3.5
99.08094	3.4
103.05483	3.1
105.07034	36.3
106.07324	1.7
107.08595	14.7
109.02889	2.8
109.10156	34.4
109.10854	2.9
111.08060	4.5
111.11708	2.3
115.04006	2.1
119.08597	12.4
121.10153	20.6
123.08149	2.7
123.11723	18.0
125.09614	2.8
127.03916	7.4
131.08591	3.2
133.08594	5.4
133.10126	13.9
135.11697	14.7
137.13246	7.2
139.11180	1.5
141.12776	5.0
145.04961	12.9
145.10144	3.3
147.04491	2.2
147.11673	12.4
149.13258	10.1
151.14830	6.7
153.12775	2.1
155.14381	2.2
157.10042	1.7
161.13271	12.7
161.14401	2.2
163.06024	19.1
163.14857	10.4
165.12779	2.2
165.16400	6.3
175.14851	10.2
177.11267	2.5
179.17876	7.7
184.07312	4.7
189.16385	4.1
245.22656	64.6
249.12636	2.0
263.23715	100.0
264.23886	2.1
265.25266	2.7
307.22745	3.5
308.23099	3.0
327.17398	1.9
337.27380	47.7
343.15445	2.2
355.28397	6.9
377.87836	2.1
403.62207	1.8
499.33334	1.6
646.10364	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	2.2
55.05275	1.7
55.05513	22.1
57.03435	6.7
57.07080	11.4
61.02652	2.4
61.02930	30.6
62.46589	1.8
65.03938	2.4
65.53016	2.0
67.05508	87.6
68.05823	2.5
69.03417	6.7
69.07075	32.1
69.84208	8.1
71.08630	4.1
73.02928	9.9
79.05499	32.0
81.03414	4.3
81.07059	95.1
83.04993	4.2
83.08621	24.3
85.02916	29.2
85.06552	3.4
85.10180	3.8
89.06021	2.5
91.03968	20.5
91.05482	21.9
93.07050	32.4
95.04974	3.8
95.08614	81.6
97.02888	19.1
97.06520	6.9
97.10161	15.1
98.21680	1.8
99.04457	3.7
99.08114	4.4
105.07036	16.1
107.08605	22.0
109.02877	2.2
109.06540	2.3
109.10162	46.3
111.08079	5.7
111.11740	4.2
117.07040	2.7
119.08570	18.8
121.10152	25.6
123.08047	2.3
123.11717	21.7
125.09631	3.2
127.03921	9.3
131.08601	2.0
133.10149	19.8
135.11676	13.1
137.09599	2.6
137.13252	7.9
141.12741	3.7
145.05002	10.9
147.11711	11.7
149.09653	2.4
149.13301	8.9
151.11171	1.8
151.14815	6.5
155.14270	4.3
161.13269	14.6
163.06024	18.4
163.14819	15.1
165.12672	2.3
165.16380	8.2
175.14819	12.8
177.16473	2.6
179.14296	2.2
179.17955	7.1
189.16388	7.8
193.15788	1.9
203.18068	2.7
217.19588	1.9
218.27699	2.0
245.22665	69.7
263.23721	100.0
264.24167	2.9
265.25336	2.2
281.24692	3.4
307.22818	2.1
337.27396	74.3
338.27728	2.8
355.28403	12.5
357.34433	1.8
462.33057	5.6
499.32532	6.0
517.91962	2.0
537.28918	1.9
696.45197	2.0
717.84662	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.6
55.01867	0.9
55.05318	0.8
55.05512	9.7
57.03443	5.8
57.07061	3.8
58.30656	0.9
61.02929	24.4
65.03940	2.1
67.05508	54.8
69.03429	3.5
69.07068	10.3
69.80443	3.6
69.80817	1.7
71.04984	2.1
73.02920	11.8
75.04482	1.5
79.05499	37.6
81.03416	2.5
81.07059	72.6
83.04969	1.0
83.08625	5.6
85.02906	33.0
85.06528	1.6
87.04455	0.9
91.03419	1.8
91.03956	26.8
91.05481	20.1
93.07047	54.2
95.04952	2.5
95.08613	48.4
95.71158	0.9
97.02893	14.6
97.06540	3.2
97.10159	3.8
98.21415	1.2
99.04443	1.1
99.08086	2.1
103.03972	0.9
105.07037	16.3
107.08598	33.7
109.06483	1.2
109.10163	29.6
111.08061	1.7
111.11649	1.1
112.10218	1.0
113.09661	1.1
115.03953	1.4
117.07027	9.8
119.08585	14.2
121.10146	33.5
123.08133	1.3
123.11723	14.5
125.09632	1.5
127.03928	8.0
129.06993	0.9
131.08577	21.1
133.10139	12.8
135.11697	23.7
137.09596	1.7
137.13258	7.8
139.11154	1.3
145.04947	12.5
145.10139	13.5
147.11676	11.0
149.09607	0.9
149.13248	21.0
151.11137	1.5
151.14812	2.6
159.10487	1.3
159.11711	17.2
161.13242	10.1
163.06013	20.3
163.14833	14.1
165.12738	2.5
173.13268	11.9
175.14859	3.2
177.16376	6.5
179.14275	3.6
187.14856	8.7
191.14322	1.9
201.16370	3.8
205.15862	2.2
215.17944	1.6
219.17464	1.6
233.22624	3.5
243.21088	32.8
261.22147	100.0
262.22397	2.2
263.23685	2.6
279.23187	2.3
335.25812	19.1
353.26871	47.1
354.26913	1.5
497.30920	1.3
694.34497	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.6
53.03943	3.0
55.01854	2.0
55.05519	6.3
55.48705	0.8
56.81657	0.9
57.03442	1.6
57.07056	1.9
58.44807	0.9
59.99111	5.0
64.53321	0.9
65.03941	5.4
67.05503	10.1
69.03425	9.4
69.07068	5.1
71.08628	8.9
71.49590	1.5
72.96745	0.9
73.02921	2.0
73.06564	7.1
77.03916	0.9
79.01846	1.0
79.05490	12.4
81.03420	4.9
81.07053	19.5
83.08607	2.2
85.02921	5.0
86.06079	4.9
87.04469	1.3
89.06012	2.3
91.05482	13.4
93.03400	3.5
93.07046	10.6
95.04966	14.1
95.08597	1.9
97.02293	1.8
97.02891	21.3
99.00822	2.2
102.03774	2.0
105.04495	1.4
105.07030	8.2
106.06557	73.1
107.01313	5.2
107.04959	15.8
107.08585	6.9
109.02827	5.6
109.10143	1.7
110.61249	1.0
111.04443	2.2
115.08713	1.3
117.07024	4.4
118.10907	0.8
119.04957	1.3
119.08569	3.5
121.02864	69.6
121.06506	7.1
121.10151	3.1
123.04403	1.3
123.08119	1.1
123.11696	8.6
125.02349	25.0
127.03880	5.1
130.07735	1.0
131.08586	1.0
132.04787	11.4
133.06490	1.3
133.10178	1.5
134.05988	4.8
135.04408	6.2
135.08031	3.4
135.11702	7.1
139.03899	38.2
143.03441	1.0
145.04338	3.7
145.06575	0.9
145.10117	8.1
149.05980	5.4
149.09648	2.4
153.05481	1.9
157.13376	10.2
163.11180	14.5
165.12830	2.2
173.09634	2.3
175.05312	1.6
184.07332	1.2
187.39343	0.9
191.10651	64.5
204.12260	1.1
208.05316	6.0
209.11723	95.5
210.12155	1.4
217.10040	9.2
227.12779	100.0
228.13124	1.0
245.14854	0.9
250.10155	6.2
280.11191	6.3
335.14883	4.7
353.15994	17.1
371.16968	13.4
379.10846	0.9
379.15421	3.4
415.92282	1.0
455.23871	2.4
484.21060	4.9
527.29718	2.2
587.26117	4.7
692.32056	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	692.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52358	0.3
55.01877	1.3
65.03949	0.7
67.05506	1.8
69.07068	14.7
70.06589	0.8
71.48417	0.3
71.48758	0.3
77.03927	0.3
79.05491	5.4
81.07056	0.4
83.04985	0.5
89.03940	0.4
89.83821	0.3
91.05483	17.4
95.04973	0.3
97.06529	33.0
98.06851	0.5
107.05003	0.6
109.06524	1.3
119.04941	11.5
121.06520	0.7
123.04442	0.5
135.04440	1.1
136.05234	1.0
137.05978	100.0
138.06346	0.8
147.04414	1.2
149.05988	1.3
161.53481	0.3
163.03934	1.9
173.06050	0.7
177.05461	0.5
189.09126	1.2
199.02032	0.3
205.89134	0.4
215.10683	1.5
233.11722	86.9
234.11980	1.7
241.90979	0.4
250.14381	61.1
251.14700	1.0
350.17001	0.4
391.95764	0.3
431.82581	0.3
692.19958	1.7
693.55719	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	2.1
53.03947	8.8
55.01876	12.2
55.05273	1.8
55.05513	23.9
57.03437	6.9
57.21403	1.1
59.05002	8.1
59.99113	6.5
64.97786	1.3
65.03938	2.7
67.05511	17.4
69.03086	2.3
69.03432	21.7
69.07059	4.6
71.01331	1.5
71.04988	7.1
71.24551	2.1
72.08143	1.4
73.02902	1.5
73.06557	10.7
77.03905	1.4
79.05071	2.3
79.05497	28.2
81.03420	70.4
81.06590	2.0
81.07060	28.2
83.01352	11.8
83.04984	14.4
83.08624	18.7
85.02910	16.5
85.06522	1.9
85.07665	1.8
86.06054	5.8
87.04429	1.5
89.06040	1.5
90.79558	1.3
91.05482	21.1
93.07049	36.3
95.04956	11.0
95.08617	9.7
97.02905	23.1
97.06510	7.8
97.10159	1.4
99.04459	11.2
102.99715	1.3
105.06381	1.8
105.07037	14.3
106.06561	78.7
107.04960	11.4
107.08592	18.0
109.02886	33.3
109.06533	12.3
109.10168	3.9
111.04434	4.2
111.08057	2.7
115.08690	1.9
117.07021	12.3
119.08579	11.7
121.06499	5.0
121.10152	13.3
123.08064	11.1
125.06012	2.1
125.09615	2.5
127.03922	37.2
128.06192	1.9
129.06964	2.6
131.08569	5.3
132.04799	10.4
133.10139	5.0
134.06020	5.7
135.08011	3.0
135.11688	19.0
137.09592	1.8
143.08574	1.9
145.04109	2.3
145.04977	6.1
145.10141	24.0
145.94382	1.5
147.08044	3.4
147.11667	1.4
149.09567	2.2
153.12762	4.6
155.08560	2.6
157.13387	10.1
157.69099	1.5
163.11192	54.1
173.09589	7.9
175.05392	2.1
181.12181	6.4
191.10527	6.2
193.79567	1.6
208.05418	4.2
209.11736	69.4
217.10065	17.0
227.12793	81.8
250.10149	6.4
269.14117	2.1
269.17218	1.5
280.11188	5.2
281.13602	2.1
299.14893	3.6
317.13901	1.4
335.14899	5.5
353.15948	100.0
354.16205	1.4
371.17020	28.8
406.62888	1.3
444.91187	1.4
463.30515	4.6
527.29639	2.2
587.26154	8.7
692.31598	5.0
693.33917	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	691.5144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	0.8
53.03946	1.6
53.16336	0.6
55.01869	0.7
55.05512	11.9
57.03433	2.2
57.07084	4.2
59.05007	1.3
59.23556	0.6
60.08168	1.4
65.03935	1.3
67.05512	18.0
69.03432	1.5
69.07069	19.6
71.04981	2.6
71.07382	0.8
71.08627	2.2
77.27885	0.6
79.05488	9.7
81.03415	4.6
81.07062	26.4
83.04969	2.7
83.08621	13.2
85.02921	1.6
85.06558	2.3
85.10173	1.1
86.09722	4.2
87.04485	1.6
89.06025	4.4
91.05489	13.2
93.07043	10.9
95.04959	2.9
95.08614	24.6
97.02884	1.5
97.06525	2.4
97.10179	11.7
98.98466	1.3
99.08116	1.7
101.98200	0.7
103.03936	0.9
105.07037	17.7
106.07357	2.2
107.04951	1.2
107.08613	6.5
109.09467	1.1
109.10168	13.3
111.04459	1.3
111.08105	2.2
111.11728	4.5
116.37811	0.7
117.07008	1.9
119.04949	16.7
119.08596	4.3
121.06503	0.7
121.10139	9.0
123.11705	6.1
125.00017	3.0
125.09619	1.4
125.13245	2.3
127.03951	0.8
129.06970	0.9
131.08577	2.1
133.06511	0.8
133.08618	1.7
133.10127	5.1
135.11703	6.9
137.09602	0.9
137.13239	2.6
139.11194	1.6
143.08521	0.8
145.10139	2.0
147.04419	100.0
147.11684	3.6
148.04771	1.6
149.13274	1.7
151.11221	1.6
151.14796	1.9
153.12836	0.9
155.08458	0.9
157.10051	0.8
159.07973	0.8
159.11690	2.2
161.13268	2.0
163.11063	1.0
165.05458	3.6
165.12750	1.8
175.14897	1.0
184.07349	13.4
185.07727	2.4
193.19548	0.8
209.11734	3.2
217.19527	5.8
227.12822	0.7
235.20581	7.6
239.23685	1.4
253.21649	18.7
257.24777	8.3
261.22189	0.9
271.22681	4.3
344.69415	0.8
399.25406	1.4
403.28418	2.0
417.26343	0.9
459.63013	0.7
501.35358	1.1
519.36847	3.5
529.35535	1.0
548.28418	0.7
673.29028	0.9
673.42224	1.2
691.41302	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	691.4045
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	3.4
53.03942	18.4
55.01877	16.9
55.05514	31.6
57.03434	12.2
57.07064	6.1
57.66421	3.5
59.04998	13.4
60.30241	2.6
62.71482	3.0
65.03934	9.1
67.05139	3.6
67.05504	74.8
69.03434	44.4
69.07053	15.0
69.79964	2.7
70.15895	11.9
71.01356	4.0
71.04992	11.2
71.57513	2.9
79.05493	100.0
81.03416	76.7
81.07054	58.5
83.04981	25.4
83.08603	14.4
85.02898	8.6
85.06554	6.4
86.09705	8.0
87.04486	4.4
91.05485	70.2
93.07042	96.6
95.04964	19.5
95.08600	32.4
97.02884	23.0
97.06543	14.9
97.10174	4.1
99.04464	11.5
99.08097	6.6
103.05477	4.7
105.04521	5.2
105.07032	46.7
107.04968	22.5
107.08592	35.7
109.02882	16.9
109.06515	10.0
109.10146	14.2
111.04440	27.9
111.08079	7.0
115.05419	4.1
116.06324	2.8
117.06999	25.2
119.08591	30.5
121.06523	11.8
121.10148	52.1
123.04446	4.3
123.08089	6.4
123.11742	4.1
125.00014	4.4
125.09626	7.1
127.03917	21.1
128.06206	4.0
129.07004	11.6
131.08528	28.1
133.10135	22.0
135.08031	10.4
135.11678	32.8
137.09666	5.0
139.07602	3.7
141.06958	3.6
143.08554	7.7
145.06502	5.8
145.10115	28.0
147.08080	8.8
147.11713	9.7
149.09639	11.5
149.13280	4.5
151.11133	4.4
152.53288	2.8
153.12733	15.9
155.08589	5.5
157.10147	8.6
159.08151	3.7
159.11705	11.9
161.09613	9.8
163.11205	34.2
165.09142	4.4
169.10115	6.7
171.11707	9.4
173.04446	8.9
173.09621	10.0
173.13269	4.3
175.11250	4.7
178.41360	3.1
181.12192	14.7
181.27798	3.2
184.07310	19.6
185.13280	3.6
187.11284	4.8
191.10635	21.3
197.13329	3.8
203.10789	3.0
209.11732	21.7
215.17969	8.9
223.13339	11.2
225.15950	3.8
227.12779	34.5
233.19006	7.3
241.14336	26.7
257.19019	3.4
273.18695	3.3
283.15323	8.7
307.22714	6.4
315.18164	6.0
326.52249	3.1
335.25882	4.2
341.21091	4.4
353.15863	18.5
359.22470	7.0
377.23224	4.2
433.26102	5.1
467.92682	3.3
515.33417	3.8
547.36194	4.5
641.37433	4.0
655.37250	3.5
659.37787	10.5
691.40332	73.2
692.41339	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	691.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.8
58.44883	0.4
59.04990	0.6
61.35395	0.4
62.22646	0.4
67.05507	1.9
69.03444	0.8
69.07070	1.0
71.50079	0.8
79.05499	1.2
81.03425	1.6
81.07067	1.3
83.04959	0.5
85.02919	1.1
89.06047	0.4
91.05486	1.5
93.07052	1.4
95.08617	1.2
97.02898	1.2
97.06583	0.5
103.03955	2.6
105.07054	1.0
107.05009	0.5
107.08573	0.9
109.02900	2.1
109.10168	0.7
117.07081	0.5
119.08562	0.7
121.10129	0.6
127.03930	1.3
128.24744	0.5
133.06491	0.5
133.10175	1.0
143.08575	0.7
145.10202	0.7
159.11760	0.5
163.03963	0.5
193.05052	0.6
213.47665	0.4
386.13806	0.6
400.15488	1.3
401.16443	0.6
414.17227	0.8
416.14352	0.6
427.18164	0.9
428.14514	1.2
429.15140	0.9
430.16428	3.2
431.17288	1.0
441.15506	0.5
442.12134	0.6
443.17242	2.5
444.18454	2.1
445.18704	0.9
455.17490	0.9
456.19022	0.6
457.18915	3.5
458.12650	0.6
458.19400	2.7
459.21326	2.5
467.17111	0.9
469.19745	0.6
470.12177	1.3
471.16544	0.8
473.18304	1.0
477.21777	0.5
483.12054	0.6
483.17044	1.5
484.12952	3.8
485.13733	1.0
485.19296	0.7
486.19394	0.5
495.16406	0.6
497.13931	1.1
497.19247	1.1
498.14761	2.0
499.16315	2.7
510.19534	0.5
511.16162	2.3
512.17053	4.4
513.17480	6.0
514.18597	3.7
515.18402	0.6
523.15314	2.2
525.17670	2.9
526.18420	0.9
527.19983	2.1
529.20709	0.7
539.16663	0.6
544.20868	0.5
545.23907	1.6
555.19641	0.4
569.20453	0.8
571.18384	1.1
573.23730	2.1
585.20325	0.9
599.21667	1.0
600.22156	4.0
601.22894	10.3
602.20642	1.0
617.22693	1.5
632.24414	1.3
659.23187	0.6
661.21564	0.6
673.25281	0.6
676.24084	0.7
691.26093	100.0
692.26392	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98908	1.0
55.05516	1.9
57.07080	5.4
59.05000	2.9
67.05482	2.6
69.03406	2.0
69.07069	1.2
70.66718	1.6
70.67056	1.8
71.08627	5.6
73.02075	2.4
73.02510	2.9
73.02926	10.0
79.05483	3.2
81.03404	2.2
81.07048	4.0
83.08590	1.3
84.87714	1.1
85.10170	3.5
87.04465	2.8
89.06027	16.0
91.05475	3.7
93.07034	2.5
95.04971	1.5
95.08578	2.4
95.43752	0.9
97.06499	1.2
97.10173	1.0
105.03383	1.5
105.07042	10.5
106.07395	1.1
107.04951	1.2
107.08549	1.9
109.10134	1.1
117.07026	1.6
117.09119	1.8
119.08563	1.6
121.06503	1.1
121.10119	1.6
131.08598	1.0
133.08601	9.7
133.10088	1.6
133.22653	1.0
144.17273	1.0
147.08043	1.4
149.06017	1.7
157.10133	1.2
161.13277	1.1
177.11226	3.8
184.07352	3.7
211.37735	1.2
269.21994	1.0
384.12201	2.5
385.12906	5.8
386.14017	2.5
397.12726	1.2
398.13733	8.0
399.14459	12.4
400.15375	21.6
401.16440	2.0
411.14609	1.6
412.15469	8.4
413.16055	18.0
414.16925	12.4
416.14456	2.5
418.17526	2.2
425.16495	1.6
426.16772	3.7
427.18201	13.8
428.18652	16.7
429.19614	9.3
437.16397	1.2
440.14508	1.3
441.14606	8.5
442.16269	11.2
455.17145	34.1
456.17664	19.4
457.18506	1.5
458.15778	3.8
459.16629	6.2
460.16476	2.7
469.14981	4.2
471.16531	2.1
472.17224	2.2
481.15143	1.8
482.15457	1.5
483.16641	29.3
484.16742	15.3
486.18991	1.3
487.15732	3.6
487.20642	1.4
488.16196	3.2
499.16333	7.8
500.16473	2.8
511.19720	1.8
515.18817	1.5
516.19653	2.4
523.16010	3.3
524.16235	1.5
527.15546	25.5
528.15900	26.3
537.17535	1.8
538.18353	2.1
539.19122	12.2
543.22424	20.6
555.18311	1.6
570.19775	1.1
571.21893	100.0
572.22064	5.3
573.19708	1.5
574.24426	7.6
586.20624	2.3
587.21210	2.8
601.23151	8.6
602.23706	35.3
603.24207	2.7
615.20459	6.7
617.26105	3.1
629.22327	33.8
630.22717	88.1
631.22412	6.3
633.24988	1.7
657.21936	64.2
658.21490	3.9
661.24677	4.1
664.52405	1.3
689.24615	20.8
689.37366	1.7
689.41455	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.421
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.6
53.03944	1.4
59.04989	0.7
59.11469	0.3
63.85732	0.3
67.05523	1.3
69.65128	0.8
69.65541	0.6
73.06565	0.5
77.03924	0.9
79.05497	5.8
81.03432	0.3
81.07054	0.5
86.09723	0.4
87.04475	3.4
89.06035	22.8
91.05479	1.8
92.33272	0.2
93.07044	2.1
95.04973	1.2
95.08583	0.5
98.20734	0.3
103.05470	4.8
105.07034	100.0
106.07359	1.0
107.08622	0.4
109.10158	0.7
119.04943	0.5
119.08609	0.5
121.06509	10.2
129.07048	0.6
131.07053	1.1
131.08571	2.5
133.08607	14.6
145.06570	0.3
147.08029	2.0
149.09616	0.6
152.24556	0.3
165.09131	3.0
166.07831	0.4
175.09727	0.6
175.11125	0.3
177.11223	6.1
177.12718	0.5
179.08510	0.4
184.07440	1.2
209.11714	1.0
209.13348	0.8
221.13876	0.9
223.11288	0.5
225.12772	4.0
227.12756	0.3
230.14743	0.3
236.14926	0.5
251.14330	3.9
253.15919	0.8
267.27667	0.3
269.15356	4.3
271.15326	1.9
313.17932	1.6
315.18082	0.8
327.17450	0.7
329.19016	2.2
336.26114	0.4
338.19003	0.3
359.20627	12.1
373.21576	2.1
375.21829	0.6
419.24503	0.8
445.57028	0.3
463.26941	18.6
464.27225	0.3
477.27902	0.9
491.36377	0.5
567.33203	2.9
596.83087	0.3
688.50037	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.421
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.6
53.03944	1.4
59.04989	0.7
59.11469	0.3
63.85732	0.3
67.05523	1.3
69.65128	0.8
69.65541	0.6
73.06565	0.5
77.03924	0.9
79.05497	5.8
81.03432	0.3
81.07054	0.5
86.09723	0.4
87.04475	3.4
89.06035	22.8
91.05479	1.8
92.33272	0.2
93.07044	2.1
95.04973	1.2
95.08583	0.5
98.20734	0.3
103.05470	4.8
105.07034	100.0
106.07359	1.0
107.08622	0.4
109.10158	0.7
119.04943	0.5
119.08609	0.5
121.06509	10.2
129.07048	0.6
131.07053	1.1
131.08571	2.5
133.08607	14.6
145.06570	0.3
147.08029	2.0
149.09616	0.6
152.24556	0.3
165.09131	3.0
166.07831	0.4
175.09727	0.6
175.11125	0.3
177.11223	6.1
177.12718	0.5
179.08510	0.4
184.07440	1.2
209.11714	1.0
209.13348	0.8
221.13876	0.9
223.11288	0.5
225.12772	4.0
227.12756	0.3
230.14743	0.3
236.14926	0.5
251.14330	3.9
253.15919	0.8
267.27667	0.3
269.15356	4.3
271.15326	1.9
313.17932	1.6
315.18082	0.8
327.17450	0.7
329.19016	2.2
336.26114	0.4
338.19003	0.3
359.20627	12.1
373.21576	2.1
375.21829	0.6
419.24503	0.8
445.57028	0.3
463.26941	18.6
464.27225	0.3
477.27902	0.9
491.36377	0.5
567.33203	2.9
596.83087	0.3
688.50037	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.8
55.01874	7.1
55.05276	0.7
55.05516	10.9
57.03439	7.2
57.07048	1.1
59.04995	3.0
60.99306	0.6
61.02916	3.7
65.01584	0.7
65.03932	1.0
67.05508	8.0
68.75858	0.5
69.03419	2.1
69.07075	3.7
70.17811	2.4
71.01311	0.8
71.05002	2.9
73.02898	1.7
79.05501	13.5
81.03426	11.0
81.06599	0.7
81.07063	13.0
83.01345	5.9
83.04987	8.6
83.08620	8.5
85.02911	6.8
85.06528	0.8
89.02362	0.6
91.03956	1.3
91.05476	9.6
93.07050	18.8
93.07629	1.1
95.04994	4.9
95.08619	5.4
97.02885	2.6
97.06540	3.0
97.10150	0.7
99.04466	2.0
105.04522	0.7
105.07040	8.0
107.04969	6.8
107.08598	9.0
109.06507	5.1
109.10155	1.7
111.04428	1.9
111.08069	1.2
117.07036	4.5
117.07718	0.8
119.08602	5.9
121.06510	2.3
121.10146	6.9
123.04452	0.7
123.08062	6.3
125.05976	1.1
125.09622	1.0
127.03924	0.9
129.06967	1.6
130.07831	1.3
131.04933	0.8
131.08569	2.9
133.10138	1.4
135.04443	0.6
135.08075	1.6
135.10719	0.8
135.11703	8.7
137.05968	0.8
137.09624	0.9
138.93945	0.6
143.08551	1.1
145.10135	12.2
147.08073	1.8
147.11652	0.7
149.09708	0.8
153.12755	1.9
155.08545	2.0
163.11195	19.4
173.09641	3.0
181.12300	1.9
191.10641	2.0
209.11731	6.6
227.12766	2.7
257.11456	0.6
283.15417	100.0
284.15848	1.6
377.88574	0.7
491.26456	48.8
492.26721	1.3
654.34235	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.4832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
55.01880	1.7
55.05514	18.8
57.03430	2.9
57.07067	3.9
57.07315	1.0
58.06597	2.5
59.04998	4.0
65.03960	1.6
67.05510	49.2
69.07072	20.5
69.93069	4.9
71.04981	1.8
71.08641	1.7
79.05499	20.1
81.03424	1.5
81.07063	70.9
83.04985	1.2
83.08624	20.0
85.06545	2.4
85.10197	1.6
89.03917	4.6
89.06029	3.6
91.05470	10.2
93.07050	22.8
95.04948	1.7
95.08616	53.4
97.06550	3.1
97.10169	13.6
98.21461	1.2
99.08075	2.4
103.05502	1.6
105.07032	13.9
106.07333	1.3
107.04983	2.2
107.08611	12.7
109.06496	1.8
109.10172	23.2
109.10910	0.9
111.08084	3.2
111.11702	4.8
115.05452	1.7
117.03403	6.2
117.07021	3.6
119.08607	8.4
121.06530	1.2
121.10154	26.0
123.04436	10.8
123.11717	16.1
125.09612	1.7
125.13268	2.5
127.03920	1.2
129.06984	2.9
131.04935	3.6
131.08553	4.1
133.08595	2.6
133.10132	7.3
135.04428	11.7
135.11702	18.5
137.05988	39.9
137.09599	1.4
137.13258	9.6
139.03880	1.3
139.11240	2.2
140.43961	1.2
141.06973	1.2
143.04932	3.2
145.02878	11.8
145.06516	6.4
145.10132	2.3
147.04436	2.5
147.11694	4.8
149.05981	8.8
149.13315	6.6
151.11127	1.4
151.14806	1.7
153.07016	2.0
153.12730	1.7
157.06494	4.1
157.12283	1.4
159.08061	4.8
159.11659	1.2
161.05994	15.4
161.13281	4.1
162.06482	1.1
163.03917	100.0
163.07545	12.9
163.14844	2.3
165.05450	1.6
165.12715	1.7
169.06578	1.4
171.07962	1.2
173.05994	13.7
173.09663	1.9
175.07582	8.0
175.14850	1.8
177.05508	11.1
177.09106	13.2
177.16389	1.5
181.04977	5.4
183.08055	2.2
184.07381	1.9
185.09743	1.1
187.07521	6.4
187.11194	1.3
189.05531	4.3
189.09149	2.7
191.07036	1.5
191.17909	1.0
195.08136	1.2
197.09654	2.9
199.07584	2.4
201.09079	5.3
203.07051	3.0
203.10663	2.0
207.06555	3.6
212.03284	1.0
213.09103	5.6
215.06938	1.1
215.10695	3.3
215.18050	2.3
217.08667	1.3
217.12082	1.5
217.19510	8.5
219.06538	4.2
219.21075	5.3
225.09143	1.3
227.10692	2.6
229.14330	1.8
230.15427	1.0
233.19133	1.5
235.20589	12.3
236.14920	4.2
237.22131	9.3
241.12247	1.1
251.20163	4.3
253.21606	19.9
255.13918	1.1
255.23349	1.7
269.21249	1.4
271.22617	5.7
307.90799	1.3
336.26453	1.0
339.23135	7.6
353.24683	6.3
355.26318	5.8
357.24277	11.4
363.23300	2.5
371.25827	2.5
373.27481	4.2
381.24228	23.6
395.22519	1.4
399.25363	46.4
401.26743	1.9
415.24707	1.8
417.26294	4.4
489.43240	2.0
533.43030	1.6
542.04541	1.0
585.95056	1.2
607.69415	1.1
633.45154	3.0
651.46924	5.8
687.46942	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	3.5
57.07071	3.2
59.05000	5.4
67.05508	9.4
69.07072	3.2
69.66392	6.8
79.05499	8.2
80.05813	1.5
81.07076	10.4
82.07399	1.9
83.08648	3.2
87.04485	5.1
87.05025	1.3
89.06046	3.8
90.26063	1.5
91.05479	3.9
93.07064	6.0
94.07420	1.3
95.08604	9.4
96.08958	1.6
98.20773	2.8
105.07037	17.4
106.07367	2.3
107.08607	2.7
109.10172	2.6
117.03342	1.7
119.08595	1.7
121.10170	5.3
123.04446	1.8
129.07039	1.5
132.08887	1.6
133.08604	2.2
133.10152	2.9
135.04449	1.9
135.11697	4.1
137.05974	14.4
138.06322	2.7
145.06509	1.5
147.11703	2.2
148.64149	1.3
151.28571	1.5
161.06023	3.3
161.13309	2.3
163.03903	14.2
163.07597	2.3
164.04294	3.2
173.05923	2.5
173.21896	1.3
177.05490	2.0
177.09096	2.2
180.33803	1.2
186.79410	1.3
208.11107	1.4
215.18062	1.7
223.12488	2.8
235.45071	1.4
236.15071	1.8
237.13982	2.4
239.15398	2.0
249.14082	1.6
251.15388	1.8
251.20131	2.5
340.17844	2.2
353.17773	2.7
355.19211	1.6
365.18033	3.3
366.18851	1.9
367.19345	4.0
376.17188	1.4
377.17609	2.7
379.19455	2.5
381.16907	2.5
381.21021	3.3
390.15039	2.0
393.20871	2.9
394.17773	2.0
395.18826	4.7
396.19864	1.5
404.19794	1.6
405.17325	5.4
407.18466	2.6
408.19614	3.3
409.20193	6.0
410.21271	6.4
411.22000	8.5
420.19424	3.8
421.20676	2.8
422.21167	3.1
423.21902	4.2
437.23715	4.3
447.22235	2.5
448.18896	13.9
449.19736	2.7
451.21521	1.7
453.23315	2.6
461.19910	1.7
464.22714	1.6
465.23773	2.4
466.23950	2.5
468.25574	10.4
469.16489	1.6
469.26160	1.8
475.17746	4.7
479.24765	2.0
480.21414	16.8
481.21921	2.8
483.23608	1.6
493.18219	2.8
494.19403	2.4
496.24832	7.3
497.25821	10.3
498.26428	17.6
505.18369	1.4
506.19791	2.9
507.22760	1.5
508.21216	2.9
511.26895	4.2
512.27563	2.8
520.20453	2.3
524.24335	5.0
525.24890	9.9
534.22748	3.3
535.23480	2.0
539.27057	6.4
540.27271	6.9
550.23621	2.0
551.23242	1.5
552.23621	2.8
553.24188	4.5
554.25299	1.9
563.23035	4.8
566.24799	1.6
567.26056	12.1
580.23279	3.8
584.26605	6.6
585.27216	10.1
594.24847	18.1
595.25562	4.8
596.08386	1.4
599.28662	6.0
609.26788	3.2
612.25940	30.0
613.26477	9.0
627.28162	37.1
628.27838	1.7
637.26520	7.4
655.27625	56.2
686.48151	2.5
687.30249	100.0
688.30768	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.7
59.04976	1.0
65.31649	0.7
67.05514	1.8
69.07069	0.7
70.10952	2.4
72.49770	0.7
79.05507	2.3
81.07061	2.1
89.65281	0.7
91.05504	2.1
93.07047	2.3
95.08618	1.6
103.95846	0.8
105.07053	2.2
107.08617	1.1
109.10249	0.8
119.08540	0.7
121.10171	0.7
144.08087	1.3
147.04451	2.1
172.07632	0.8
185.07019	0.7
196.09843	0.9
197.10812	1.4
199.08702	0.9
208.09824	1.4
209.10707	6.0
210.11530	2.1
211.12302	3.1
213.06648	1.0
213.10237	1.3
221.10776	1.1
222.09660	0.8
222.11646	2.4
223.08746	1.8
223.12305	6.9
224.13033	3.9
225.13908	4.0
226.14638	1.0
227.08224	1.9
232.09543	0.8
235.12335	1.7
236.09467	0.9
236.13062	0.9
237.10216	3.5
237.13879	14.5
238.14667	7.3
239.11887	0.9
239.15424	3.5
241.09810	1.9
251.08022	1.4
251.11949	1.3
253.13499	2.5
255.07649	1.3
255.11256	1.1
265.13434	9.4
266.14124	4.4
267.15024	3.5
269.09512	0.9
273.12311	1.3
285.12949	0.8
286.13287	0.9
287.14169	0.8
293.12900	1.3
297.12451	3.0
299.10364	1.0
300.14941	1.2
301.12180	0.9
302.16464	0.9
309.16058	1.7
311.14218	0.8
312.15121	1.1
313.16153	0.7
314.16492	1.1
315.13483	3.7
316.14722	1.2
316.18152	1.0
325.15414	8.0
326.16354	1.3
327.17160	2.7
328.14584	1.5
328.18365	0.9
335.13925	0.9
340.14615	1.1
342.16312	1.0
343.13077	1.3
344.17712	0.8
381.21036	0.9
386.18939	1.5
388.20703	1.8
389.20905	1.2
395.18738	1.0
400.16632	1.7
401.21228	1.6
402.22000	1.6
404.23334	1.0
405.17450	1.1
406.18649	1.0
407.19086	1.3
408.19928	0.8
409.20398	1.7
411.18039	0.8
414.18158	1.4
419.18637	2.2
433.20322	1.3
437.19833	2.1
438.20239	1.1
439.21713	1.0
447.17896	1.0
451.21622	1.0
460.19919	1.1
461.19946	1.3
475.21497	1.1
481.22681	1.5
482.23318	1.3
490.22983	2.0
491.24954	1.4
493.22385	1.4
497.25650	3.8
506.23380	1.6
507.24054	3.8
508.22159	1.2
509.22525	1.3
510.22943	1.1
511.24167	1.1
517.22345	1.5
521.25470	2.5
522.25330	1.0
524.24146	1.5
525.25153	5.3
535.23224	1.5
539.25970	1.1
540.27026	1.7
549.24762	3.4
552.23633	1.2
553.24658	2.9
567.25494	2.8
568.26575	2.7
577.24689	1.1
583.25732	0.8
595.25439	4.2
608.22693	1.5
609.26984	14.0
611.28564	1.1
613.26727	1.6
623.25055	4.7
627.28156	31.6
628.28198	1.4
637.26697	5.7
651.24298	1.1
655.27625	100.0
656.27850	3.9
669.25922	1.0
687.30115	5.1
687.40472	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.5415
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.4
55.05527	2.7
56.78556	0.4
57.03423	0.6
57.07079	31.5
58.06603	0.7
59.05011	3.6
64.96050	0.4
67.05509	1.2
69.07073	4.5
71.08635	28.2
73.06181	0.7
73.06564	9.3
78.52212	0.6
79.05486	0.6
80.70240	0.4
81.07076	1.0
83.08623	5.0
85.09672	0.6
85.10187	18.1
87.04468	7.9
89.06036	100.0
90.06360	0.7
91.05463	0.6
91.07615	1.1
93.07057	0.9
95.08595	1.4
97.06531	0.4
97.10181	6.5
99.11752	2.9
101.05992	0.6
103.07646	0.5
105.07062	0.6
107.07071	1.2
109.10186	0.6
111.11703	2.8
112.90324	0.4
113.13287	1.9
115.07607	0.4
117.09140	7.6
125.13287	2.0
127.14850	1.3
130.08669	1.9
131.07072	2.5
133.08614	50.1
135.10187	1.1
138.86739	0.5
141.16434	0.9
155.17955	0.9
161.11684	2.3
175.09714	1.3
177.09680	1.0
177.11238	19.5
194.20441	0.5
211.24260	1.8
219.12300	0.7
221.13855	4.3
236.14899	2.5
237.80847	0.4
239.14769	0.9
255.26891	1.8
265.16534	1.1
283.17563	0.9
299.29410	5.1
309.19061	0.7
327.20065	1.1
343.32016	3.0
371.22787	0.7
415.25562	0.8
459.28244	2.3
581.46832	0.5
654.49536	0.6
655.27899	0.7
669.51495	3.7
686.53174	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	686.4469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.2
55.05514	13.0
57.03439	12.3
57.07067	2.1
59.04984	3.6
61.02909	4.2
65.03941	1.9
67.05505	100.0
68.05813	1.3
69.03436	1.6
69.07064	8.7
69.92831	4.7
71.04977	3.2
73.02896	1.1
79.05074	1.4
79.05493	18.5
81.03402	2.0
81.07058	39.5
82.07359	1.0
83.08624	8.4
84.04621	0.8
85.02892	3.9
85.06528	2.7
85.51171	0.9
91.03958	1.1
91.05474	12.5
93.06481	1.7
93.07041	24.6
93.31998	0.9
95.04985	1.5
95.08610	27.8
97.02882	1.5
97.06525	2.5
97.10143	2.0
99.08089	1.7
103.05402	1.1
105.07029	16.0
107.08601	16.3
109.02857	1.0
109.10160	72.6
111.08089	2.5
111.25486	0.9
117.07014	2.2
119.08583	11.8
121.10148	12.3
123.08031	1.7
123.11693	3.2
125.09596	1.7
131.08553	4.8
133.10153	5.9
135.11690	7.4
137.05957	3.3
137.09615	3.9
137.13257	1.9
138.63858	0.9
145.10117	3.4
147.11687	4.2
149.13251	5.1
155.10632	8.5
159.11707	2.9
161.13235	2.2
163.03876	5.1
163.14838	2.8
173.11787	16.8
173.13258	3.2
175.14693	1.1
177.16356	1.1
187.14789	2.6
201.16444	1.1
227.12735	5.0
229.14357	98.3
243.21053	4.2
261.22147	15.6
275.39053	1.0
309.24130	1.0
317.24695	3.7
335.25806	66.6
336.25949	1.0
379.29816	1.5
397.30881	1.5
415.32239	1.4
471.34683	1.6
489.35721	38.4
507.36755	2.1
509.03992	1.0
534.67816	1.0
632.44360	1.2
686.46887	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
54.72484	0.8
55.01877	0.9
55.05271	1.1
55.05512	13.4
56.49493	0.7
57.03162	0.9
57.03438	13.6
57.07068	3.3
59.05010	5.8
61.02936	4.3
65.03920	2.6
67.05505	100.0
69.03406	2.0
69.07071	8.8
69.86710	3.4
71.04984	3.2
71.08633	1.6
71.48980	0.7
73.02919	1.7
79.05492	23.6
81.03410	2.1
81.07057	37.1
83.04982	2.4
83.08621	8.8
84.03909	0.8
85.02904	3.7
85.06535	3.5
87.04443	0.9
91.03949	1.6
91.05475	15.4
93.07045	27.8
95.04956	2.1
95.08610	28.5
96.08875	1.0
97.02892	2.2
97.06527	1.8
97.10171	2.3
99.08134	0.8
105.07024	15.2
107.08595	15.8
109.06549	0.8
109.10156	73.9
111.08089	3.5
117.07003	2.7
119.08584	11.2
121.10149	12.4
123.08055	0.8
123.11720	3.3
125.09614	1.4
129.06950	1.3
131.08557	6.4
133.08563	1.1
133.10110	5.3
135.08047	0.8
135.11688	8.4
137.06030	1.2
137.09627	2.4
137.13271	1.0
145.10121	3.4
147.11687	4.0
149.13249	4.5
155.10669	8.2
159.11681	3.8
161.13246	2.6
163.03911	2.5
163.14825	2.2
164.04182	1.0
173.11778	16.1
173.13269	3.0
184.07298	1.5
187.14821	2.3
227.12793	3.3
229.14349	79.3
236.14915	2.5
243.21068	4.9
245.46860	0.8
257.36121	0.8
261.22113	15.0
317.24680	2.3
335.25800	71.4
397.30847	1.5
402.11108	0.9
449.74997	0.9
471.34802	1.3
489.35770	53.0
490.35910	1.4
507.36664	2.2
686.46075	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	685.4671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.5
55.01874	1.1
55.05511	10.3
57.03428	1.0
57.07069	1.0
58.06589	0.6
59.04987	1.4
65.03934	2.1
67.05505	59.2
69.03439	0.5
69.07068	12.1
69.93410	0.5
71.04996	2.2
71.08639	1.0
79.05493	24.8
81.07056	54.1
83.04971	1.5
83.08154	1.0
83.08620	14.8
85.06557	4.1
91.04901	1.1
91.05473	20.2
93.07043	34.7
95.04971	1.3
95.08607	56.1
97.06530	10.0
97.10178	4.8
99.08099	2.7
105.04523	0.5
105.07023	7.2
107.08591	18.9
109.06533	0.8
109.10155	23.1
110.67743	0.5
111.08078	13.8
113.09680	1.3
117.07006	1.4
119.04949	14.8
119.08567	8.2
121.10145	45.8
122.10473	0.6
123.08035	1.0
123.11706	9.0
125.09624	2.6
131.08566	3.0
133.09126	1.0
133.10129	18.3
135.11694	41.0
137.09572	2.9
137.13245	3.6
138.83813	0.5
139.11165	1.7
145.10101	5.8
147.04411	49.0
147.11699	5.0
148.04762	0.8
149.13266	7.8
151.11205	4.8
151.14819	0.6
153.12798	1.0
155.10645	1.6
159.11662	2.7
161.13249	1.2
163.11095	0.8
165.05484	8.0
165.12758	0.7
169.12233	1.2
173.13275	2.7
175.14937	1.0
187.14787	2.3
195.13823	1.4
215.17960	19.6
217.19536	4.5
233.19019	12.7
235.20573	19.0
236.14943	2.0
237.67036	0.6
251.20062	100.0
252.20403	1.6
253.21591	4.6
269.21109	13.4
312.56238	0.5
685.28778	0.7
685.50391	2.0
712.38965	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.1
55.05515	8.1
57.03425	1.5
57.07076	3.1
58.06601	1.0
59.04992	1.3
65.03934	2.0
67.05508	39.1
69.07071	11.6
69.65396	5.6
71.08628	1.3
77.03926	0.9
79.05496	21.8
81.03419	1.7
81.07059	41.9
83.04974	1.8
83.08618	9.6
85.06551	1.9
89.03914	6.2
89.06025	1.9
91.05482	13.5
93.07050	25.5
95.04958	3.0
95.08613	37.5
97.06515	5.0
97.10181	4.4
99.08076	2.6
103.05479	2.7
105.04521	1.0
105.07035	15.7
107.04956	2.5
107.08604	13.7
109.06529	2.5
109.10158	13.2
109.28155	0.8
111.08072	4.4
111.11707	1.9
113.09535	0.8
115.05440	2.4
117.03378	6.8
117.07005	4.7
119.08580	8.6
121.06536	1.7
121.10152	26.1
123.04435	10.6
123.11721	6.2
125.09572	1.1
128.06195	0.9
129.07022	3.1
131.04933	5.8
131.08574	6.1
133.08620	1.4
133.10152	9.6
135.04417	13.7
135.08046	1.4
135.11710	23.1
137.05989	54.8
137.09676	1.3
137.13243	2.7
139.03876	2.1
139.11116	1.8
141.06992	1.3
143.04924	2.3
145.02834	10.4
145.06451	4.1
145.10109	3.8
147.04419	2.0
147.08046	1.8
147.11690	4.5
149.06003	8.0
149.13242	4.5
151.07516	1.1
151.11122	2.4
153.12793	1.1
157.06502	3.5
157.10126	1.3
159.08083	4.4
159.11702	1.7
161.05991	14.1
161.09576	1.1
161.13260	2.5
163.03912	100.0
163.07555	14.2
164.04210	1.1
165.05461	1.7
171.08063	2.6
171.13789	1.0
173.06035	7.5
173.09521	1.7
173.13251	1.3
175.03883	1.2
175.07558	7.5
175.14961	1.0
177.05515	11.1
177.09132	11.3
181.05006	4.9
181.06450	1.5
183.07991	2.0
185.09711	1.6
187.07568	3.5
187.11192	1.3
189.05478	3.5
189.09148	2.4
191.06993	1.2
191.10643	1.1
195.08043	1.2
197.09723	1.3
199.07523	2.5
201.09105	3.4
203.07060	2.9
203.10634	2.6
207.06552	1.8
211.11208	1.0
213.09116	2.8
215.10699	1.9
215.17929	3.6
217.12212	1.9
217.19502	5.1
233.18945	1.5
235.20558	10.7
236.14932	2.0
249.18503	2.3
251.20084	11.7
253.21602	4.5
269.21210	2.2
309.20703	1.0
322.53220	1.0
341.24765	6.7
353.24945	1.7
355.22729	2.3
357.24188	2.1
359.25833	1.9
369.24323	1.6
373.27557	0.9
379.22583	1.7
381.24258	8.9
397.23773	9.0
399.25327	12.5
415.25009	1.9
517.11267	0.9
523.87909	1.0
613.42114	3.6
631.43384	5.6
649.44275	3.8
685.28174	3.9
685.50159	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.6
55.01874	5.7
55.05517	14.8
57.03443	14.4
57.07071	4.1
58.06608	1.4
59.05006	1.7
61.02924	3.4
64.77676	1.0
65.03924	2.2
67.05508	48.1
67.56749	1.0
69.03427	1.7
69.07083	12.6
71.01341	2.3
71.04998	4.7
71.48875	1.1
71.49332	1.4
73.02950	1.4
79.05499	53.9
81.03414	3.6
81.07063	34.3
83.04989	10.2
83.08619	5.2
85.02912	3.7
85.06544	4.6
89.06052	1.4
91.05486	24.5
93.07049	61.4
95.04984	6.2
95.08612	22.8
97.02895	1.6
97.06541	8.9
97.10204	6.9
99.04493	0.9
99.08102	3.1
105.04534	1.3
105.07035	14.8
107.04941	1.5
107.08602	32.4
109.10166	12.0
111.08083	3.6
114.69410	0.9
114.85712	0.9
117.07011	7.7
119.08598	11.4
121.06528	1.2
121.09251	1.3
121.10146	26.8
123.11714	3.3
125.09655	3.0
130.15303	0.8
131.08569	8.9
133.08624	1.3
133.10129	8.5
135.08057	1.1
135.11700	44.9
135.12730	2.4
137.09547	1.3
145.10121	11.4
147.11681	4.2
149.13255	7.3
153.12740	6.2
159.11723	4.2
161.13226	1.2
163.11177	5.9
171.11700	1.6
173.13275	4.0
181.12259	12.5
184.07404	2.2
187.14803	1.4
199.13344	2.0
205.19530	1.8
215.17969	15.2
233.19000	12.5
236.14940	1.9
253.14278	2.2
255.15924	73.1
289.21588	2.1
307.22684	68.2
308.23114	1.6
325.32996	1.1
340.00952	1.2
377.28293	1.0
395.29208	1.3
487.34201	100.0
488.34540	3.8
505.35669	1.7
666.45221	2.0
684.45197	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	684.323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.1
53.83259	0.5
55.01867	1.8
57.03428	0.7
58.41200	0.5
64.12305	0.5
65.03954	0.7
67.05496	1.4
69.07073	18.6
69.17491	3.5
69.17915	1.9
71.05011	0.7
71.98511	0.5
73.06561	1.1
79.05498	7.7
81.03418	0.8
81.07067	1.0
91.05482	14.3
97.06537	83.7
98.06881	0.7
107.05018	0.6
109.06548	0.7
115.07564	2.4
117.07092	0.6
119.04950	9.6
121.06493	0.7
123.04429	1.4
133.06483	0.9
135.04451	1.5
137.05983	100.0
138.06345	1.5
147.04420	4.4
149.05986	2.2
161.05954	0.6
161.09625	0.5
163.07576	1.5
173.06026	0.7
189.09120	12.6
191.10606	0.9
205.12236	1.0
215.10690	1.5
220.41725	0.6
233.11736	80.6
234.12209	0.8
236.59648	0.5
250.14401	99.6
251.12785	32.9
251.14774	1.5
264.15897	0.8
268.15451	6.9
302.17636	0.6
303.04984	1.6
303.17853	1.3
304.05435	1.2
343.92456	0.6
418.09247	1.2
554.83313	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.4315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.9
55.01867	2.2
55.05511	14.4
57.03164	3.4
57.03440	65.1
57.07070	4.9
58.06589	4.9
59.04991	5.2
59.07389	2.0
61.02929	3.7
65.99691	1.9
67.05183	2.9
67.05509	38.7
67.93619	1.6
69.03409	2.8
69.07071	10.8
70.39337	3.9
71.08643	3.3
73.02928	2.4
79.05497	77.7
81.03422	3.8
81.07057	58.6
83.04977	4.4
83.08614	5.1
85.02907	5.4
87.04450	2.6
89.06044	6.8
91.03985	1.9
91.05479	20.9
93.07048	30.4
95.04969	4.9
95.08610	28.2
97.06541	4.5
97.10175	4.3
105.07037	39.6
106.07342	2.8
107.04950	2.3
107.08596	42.2
109.06480	2.6
109.10178	14.9
111.08099	3.4
112.61964	1.6
115.05387	1.8
117.07005	7.0
117.07806	1.5
119.08569	12.0
121.10155	12.7
123.08057	2.5
123.11700	5.3
125.09648	24.8
127.47886	1.9
131.08617	8.1
133.06538	2.1
133.08594	3.8
133.10126	9.1
135.08055	12.9
135.11740	9.9
137.09563	2.0
143.08507	2.6
143.18404	1.9
144.10185	2.2
145.10146	5.5
147.11671	4.2
149.13245	5.3
153.09123	16.9
159.11674	6.1
161.13307	3.8
163.14815	2.1
171.10144	3.6
173.13254	4.3
187.14854	2.8
191.45970	1.7
195.06493	1.7
209.13110	1.7
225.11101	2.9
225.16757	2.0
227.12798	100.0
236.14937	12.7
243.21082	5.9
261.22165	19.0
310.62360	1.9
314.27948	1.8
335.25839	42.9
377.28391	2.1
395.29269	3.5
469.32782	2.4
487.34161	32.9
505.35162	3.8
635.96570	2.0
666.48871	4.0
684.46765	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	684.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88208	0.9
51.21175	1.0
52.28156	0.9
53.03953	6.0
55.01875	5.4
55.05515	55.0
55.66888	1.0
57.03440	1.5
58.99800	0.9
59.99121	5.4
66.83039	1.0
67.05501	4.0
68.99781	5.3
69.03432	9.2
69.47385	8.0
71.04988	1.6
72.08184	1.1
73.02943	1.2
73.06562	7.5
79.05482	3.4
81.03422	15.9
81.07063	2.5
83.08627	100.0
83.75140	1.0
85.02909	16.3
85.07635	0.9
85.10190	1.2
86.06073	5.4
87.00838	14.8
90.19647	0.9
93.07009	1.5
95.04953	3.4
95.08622	9.7
95.58171	1.0
97.02899	35.3
97.10156	1.6
99.04451	4.9
102.99654	1.3
105.01911	6.4
105.07050	6.3
105.21203	1.0
106.06563	77.5
107.08572	1.4
109.02889	31.8
109.10218	1.2
115.11215	76.0
117.96449	0.8
121.02849	1.1
123.08065	5.8
125.09652	12.8
127.03924	36.2
129.56390	1.1
132.04797	11.0
132.10738	1.1
133.06535	1.4
133.10141	1.5
134.06000	4.5
141.05403	1.2
143.10680	3.1
145.05107	10.7
157.13356	7.5
169.04988	2.1
169.08607	4.5
175.05280	1.2
183.02869	1.4
183.10208	2.2
191.11894	1.6
195.02924	2.7
201.11252	4.6
208.05455	6.3
213.03955	25.2
217.10081	6.8
231.05016	91.6
232.05153	1.1
249.06105	14.3
250.10143	6.6
260.43039	1.0
269.13858	7.3
280.11166	4.7
287.14838	9.6
327.14514	6.1
331.13943	17.4
335.94788	1.2
345.15485	6.4
355.06699	1.5
503.23898	4.4
579.25745	6.2
608.29858	1.9
640.96277	1.1
684.31427	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.4
55.01874	1.8
55.05523	4.8
55.63508	0.6
57.03438	2.7
57.07082	5.6
59.04999	1.7
59.51015	0.5
67.05510	11.3
68.05836	1.1
69.03437	3.0
69.07068	2.7
70.94054	1.3
71.04985	1.8
71.08626	4.3
72.96091	0.5
77.44177	0.7
79.05494	8.0
81.03426	8.0
81.07071	9.4
83.01122	1.2
83.04972	2.8
83.08631	2.4
85.02923	1.1
85.10185	2.6
88.45390	0.6
89.06023	1.1
91.05492	10.3
92.05833	1.9
93.07050	7.3
95.04960	2.3
95.08614	7.5
96.08952	1.0
97.02900	3.4
97.06539	1.3
97.10207	1.6
99.04477	1.7
99.08124	0.8
105.07037	7.5
106.07358	0.8
107.04952	1.8
107.08592	3.7
109.02871	1.7
109.06548	0.9
109.10162	4.2
111.04255	2.8
111.08157	0.9
113.03042	0.7
117.07037	1.1
119.08601	2.2
121.06529	0.8
121.10159	3.4
123.04396	0.7
123.08116	1.1
123.11778	0.8
125.05813	0.6
125.09680	1.0
127.03793	3.7
131.08586	2.2
133.10141	7.2
134.10490	2.5
135.08022	0.9
135.11679	3.0
139.07199	0.8
143.08597	1.0
145.10155	2.4
147.04472	0.9
147.08130	0.6
149.09619	1.3
153.12764	1.6
155.06854	3.8
157.10190	0.9
161.09605	1.1
163.11212	3.4
169.08424	0.8
171.06297	3.1
173.04466	1.4
173.09738	0.7
181.12271	1.7
183.09875	0.8
191.10678	1.9
199.09480	2.7
209.11699	4.1
211.13535	0.7
227.12866	3.5
239.23817	1.0
243.12225	2.0
253.14406	3.9
254.14761	2.5
259.11566	1.1
271.15341	1.1
283.15442	0.9
287.14609	1.5
303.14319	0.8
307.22675	5.0
308.03381	0.6
308.23044	4.7
310.49362	0.6
313.27533	2.0
331.17261	1.8
353.16202	1.2
419.22821	1.3
427.19623	0.9
435.22171	1.1
438.50266	0.6
448.70053	0.6
474.99594	0.7
485.32745	1.1
486.33051	6.2
539.39020	1.2
557.29614	0.8
582.23065	0.7
597.32440	7.1
606.74493	0.7
683.43414	100.0
684.43634	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	682.4884
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77211	0.4
55.01852	1.0
55.05483	1.2
57.03436	4.4
57.07073	4.3
58.06602	32.1
59.04985	0.8
59.07381	9.3
60.08166	8.0
64.41785	0.4
65.84574	0.4
67.05472	1.5
69.07046	0.6
70.07300	1.5
71.08636	2.3
73.02898	0.5
75.04480	2.1
79.05477	1.3
81.07056	2.6
82.62941	0.4
83.04965	0.8
83.08593	1.3
84.08128	1.0
85.02895	2.3
85.10145	1.3
87.04457	3.1
91.05446	1.4
91.25842	0.5
93.07018	1.2
95.08588	2.0
96.30648	0.4
97.06516	0.5
100.11248	0.4
105.05456	0.6
105.07019	0.6
107.08496	0.5
109.10106	0.9
113.05974	1.6
127.16798	0.4
130.08632	0.6
131.07028	1.6
135.11719	0.4
144.10194	13.0
146.47780	0.4
161.09404	0.4
162.11276	4.6
163.11143	1.2
163.55542	0.4
188.73265	0.5
195.54651	0.4
218.13818	1.3
225.04282	0.4
236.14929	76.9
237.15257	1.6
245.60373	0.4
313.27377	0.6
412.37881	0.8
426.24884	4.4
444.25937	7.0
456.36838	5.2
457.76166	0.5
474.27628	0.5
474.37909	13.2
475.38260	0.5
641.17584	0.5
664.47821	1.7
682.48871	100.0
683.49225	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	682.4887
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	0.6
55.05484	1.3
57.03434	3.0
57.07080	3.8
58.06604	29.7
59.04970	1.0
59.07384	8.5
60.08170	8.4
67.05509	2.5
68.93068	0.5
69.07029	1.1
69.53286	2.6
71.08627	2.1
73.33601	0.4
73.71676	0.4
75.04488	2.2
79.05459	1.5
79.35538	0.4
81.07060	2.5
83.04961	1.3
83.08592	1.0
83.63229	0.4
84.08109	1.7
85.02922	1.9
85.10149	1.2
87.04471	2.1
91.05476	0.9
93.07032	2.4
95.04973	0.4
95.08595	2.8
97.06517	0.7
97.10107	0.4
101.05982	0.4
102.05538	0.9
105.05423	0.6
105.06991	1.4
107.04898	0.4
107.08558	1.1
113.05984	1.2
117.07018	0.4
119.08497	0.5
121.06472	0.4
121.10121	1.1
130.08611	0.8
131.06996	1.0
135.11714	2.1
144.10199	11.4
145.10092	1.7
147.11688	1.0
148.45775	0.4
162.11259	4.3
163.11197	1.9
186.90338	0.4
200.12865	0.9
218.13887	1.1
227.12794	1.4
236.14935	70.7
237.15237	1.0
305.92242	0.4
313.27283	1.0
314.96243	0.4
337.02390	1.8
352.45587	0.4
369.30023	0.4
372.61966	0.4
393.08633	0.7
412.37735	0.9
426.24796	3.1
444.25974	8.2
456.36798	5.5
468.15408	0.5
474.37909	11.6
525.17706	0.6
581.24030	1.4
637.30609	2.9
682.48895	100.0
683.49286	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	680.5093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.4
55.01828	0.6
55.05515	1.7
55.45898	0.3
56.05015	0.4
57.03436	4.5
57.07078	3.8
58.06601	33.0
59.07383	9.0
60.08163	7.6
65.03919	0.4
67.05505	3.4
69.07035	1.6
69.92493	1.8
71.08633	2.5
73.02918	0.4
75.04478	1.8
79.05491	2.9
81.03416	0.7
81.07059	3.0
83.04956	0.8
83.08584	1.2
84.08099	1.3
85.02900	2.6
85.10154	1.4
87.04482	4.0
88.41756	0.3
91.05489	2.4
93.07053	2.2
95.04921	1.1
95.08611	2.9
97.06514	0.4
97.10143	0.5
98.20853	0.6
100.11205	0.9
101.06025	2.4
102.05506	0.9
103.03905	0.5
105.05546	0.8
105.07012	1.2
107.08558	0.7
109.10143	0.8
113.06023	1.8
117.09073	0.4
119.08535	1.3
121.06487	0.4
123.11661	0.5
130.08621	0.6
131.06992	1.0
133.10083	0.4
144.10201	14.4
145.10219	0.4
162.11259	5.0
171.11710	0.5
194.72752	0.4
200.12849	0.7
210.56839	0.4
218.13972	1.3
236.14931	87.1
237.15144	0.7
313.27280	1.0
369.29944	0.5
398.58847	0.4
412.37762	0.9
424.26822	3.8
442.27917	7.2
456.36737	6.9
474.37918	13.2
497.42639	0.5
680.50940	100.0
681.51233	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	679.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.0
55.01870	0.8
55.05508	2.2
57.03426	0.4
57.07062	0.6
61.02915	0.4
62.76048	0.4
67.05505	2.6
68.68287	0.4
69.03433	7.5
69.07070	2.9
69.72790	1.9
69.73226	0.7
71.04990	1.6
73.02942	0.5
79.05482	2.3
81.03430	2.7
81.07065	4.8
83.04969	0.6
83.08635	1.6
85.02918	4.1
85.06549	100.0
87.00837	2.1
91.05477	3.3
93.07053	5.5
95.04950	0.6
95.08612	7.2
97.02914	1.5
97.06538	1.6
97.10202	0.7
98.87684	0.4
99.04467	0.8
99.08092	3.4
105.01852	0.6
105.07034	5.6
106.06589	0.9
107.08604	8.1
109.02891	1.8
109.06535	0.5
109.10155	4.9
111.08091	19.7
113.09617	0.5
115.05453	0.5
117.07038	0.9
119.08581	6.3
121.10153	5.0
123.08075	0.5
123.11695	2.6
125.09628	1.3
127.03923	3.3
128.06181	0.7
129.07007	0.7
131.08595	2.6
131.09419	0.4
133.10136	5.5
135.11682	3.8
137.09637	0.7
137.13271	3.5
138.42493	0.4
143.08591	1.6
145.04971	1.0
145.10112	4.6
147.11690	5.0
149.09619	0.6
149.13269	4.1
151.11220	1.0
151.14801	0.6
155.08588	0.7
157.10100	2.1
159.02840	1.0
159.11708	3.9
161.13266	3.3
163.11203	0.6
163.14841	1.5
165.12753	0.5
169.10164	1.3
171.11667	2.2
173.13300	3.5
175.11273	0.6
175.14864	1.5
177.12895	0.8
177.16463	1.1
183.11746	1.2
185.13361	1.4
187.14897	2.4
189.12790	0.4
189.16460	1.7
191.14355	1.2
191.17987	1.6
193.15869	0.5
197.13332	1.0
199.14893	1.8
201.16389	3.2
203.17969	2.8
205.15982	0.6
205.19571	0.8
211.14900	0.7
213.16420	1.8
215.17863	2.0
217.15846	0.8
217.19577	1.5
221.15385	0.5
225.16493	1.2
227.18051	1.2
229.15973	0.7
229.19524	2.0
231.05026	0.8
231.17471	0.6
243.17490	1.2
243.21150	0.6
245.19099	1.3
253.19600	0.6
255.21002	0.5
257.19046	0.5
259.20746	0.4
267.21152	0.6
269.22641	2.9
271.20740	0.7
281.22980	0.5
287.23743	3.7
299.27386	0.6
309.26047	0.6
319.38937	0.5
327.27032	1.0
347.38980	0.5
355.30081	1.2
377.32321	0.7
395.33124	5.2
413.34146	5.3
431.35318	0.6
582.62616	0.5
632.35449	0.5
679.30902	0.6
679.41473	0.9
680.32367	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41068	3.9
53.03938	14.6
54.92625	3.8
55.01871	8.9
55.05511	22.3
57.03439	13.2
57.07063	13.9
58.39740	3.7
59.04984	4.5
65.03922	7.0
67.05507	82.7
69.03445	7.8
69.07072	31.1
71.04996	9.3
71.08619	5.6
71.49094	5.4
79.05493	74.2
80.65689	3.6
81.03424	100.0
81.06604	4.7
81.07062	79.0
83.04990	6.5
83.08610	14.8
83.50080	3.8
85.02895	6.7
85.06557	5.4
89.06037	5.2
91.05486	92.8
93.07053	99.7
95.04960	19.1
95.08616	54.5
97.06538	8.6
97.10180	6.2
103.05424	6.4
105.04491	5.3
105.07029	44.8
107.04953	10.2
107.08611	32.9
109.06526	11.9
109.10188	24.0
115.05468	8.6
117.07024	19.2
119.08575	50.5
120.08839	3.7
121.06540	17.7
121.10133	26.3
123.04429	13.1
123.08108	9.5
125.09695	4.7
127.03903	3.6
128.06276	6.1
129.07016	13.0
131.04860	4.4
131.08566	17.6
133.06503	4.8
133.08647	3.6
133.10155	18.2
135.04471	8.7
135.08041	10.0
135.11688	19.9
135.43568	3.5
135.44855	3.4
136.01524	3.9
137.09631	25.2
141.06972	4.6
143.08566	9.2
145.06517	4.9
145.10146	13.4
147.04431	12.1
147.08084	12.3
147.11679	12.8
148.08821	6.0
149.05998	8.5
149.09634	6.3
149.13306	5.3
157.06483	5.5
157.10179	5.5
159.04399	10.4
159.07997	4.2
159.11679	12.0
161.02359	5.8
161.06010	9.3
161.09596	4.7
161.13258	6.9
163.03915	65.5
163.07445	5.9
163.11267	5.3
163.14864	4.4
165.05479	8.0
165.09164	21.7
171.11671	4.8
173.02357	28.1
173.06010	7.0
173.13284	7.4
175.03906	5.6
175.07654	5.0
175.11209	4.6
177.07858	49.7
178.08182	16.7
181.06403	5.4
183.07999	5.2
183.10138	5.5
184.07428	3.8
185.06075	6.7
187.03889	19.5
189.05521	7.9
191.03358	6.6
193.10091	4.8
193.12143	3.9
197.09613	7.8
199.03941	21.4
201.05679	5.7
209.09659	7.2
211.07622	5.8
211.13362	3.5
213.05478	4.4
213.09210	3.8
215.17938	3.8
219.08102	4.2
220.04703	3.8
221.09671	5.3
225.05380	5.6
225.09059	4.6
229.04887	4.1
237.08966	4.3
239.06911	6.2
239.10664	41.1
259.20578	5.0
261.22223	6.6
283.09692	8.2
283.13147	9.0
309.11227	10.2
327.12308	43.6
329.13666	5.8
334.63321	3.8
335.25812	16.9
337.14615	4.4
345.13257	5.2
355.15088	5.0
401.16058	28.6
403.17474	10.3
403.22522	4.6
429.19202	5.4
455.55493	4.1
519.53369	5.1
538.34344	4.6
569.32947	7.2
587.33435	16.4
605.34509	13.9
617.42590	35.8
643.36108	5.9
651.38672	17.6
661.36108	41.1
661.45331	11.9
679.38153	80.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.4789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.9
55.05504	2.0
57.07081	22.3
62.57282	0.8
65.18509	0.8
69.07070	2.9
69.38416	2.6
69.38840	3.7
71.08638	42.3
73.06548	3.4
77.34709	0.9
77.64213	0.8
79.05487	1.7
81.07042	0.9
85.10192	22.5
87.04478	21.2
89.06039	100.0
91.05475	8.9
93.07066	7.3
95.04965	1.2
95.08604	1.0
103.05460	1.7
105.04509	1.0
105.07027	4.0
107.04952	3.3
107.08589	3.9
117.07034	2.5
119.04920	2.1
119.08560	3.2
121.06510	17.8
121.10121	1.4
123.08073	1.0
127.14887	1.6
130.08638	1.0
131.07069	8.8
131.08546	2.3
132.09357	1.1
133.08618	66.2
135.08072	3.6
135.11714	1.2
136.05222	2.2
145.10075	1.6
147.08070	8.1
149.09642	5.5
149.13304	1.4
159.11734	1.7
163.11171	3.3
164.08302	1.7
165.09134	8.3
167.10692	1.0
175.09674	5.1
175.11139	2.1
177.11263	22.3
177.12712	1.9
184.07352	1.8
184.20317	1.0
191.10641	3.8
193.12244	2.2
209.11743	3.7
211.13257	2.0
221.13843	4.1
235.13316	2.2
247.20595	12.6
255.15923	2.0
265.16461	1.4
273.22125	3.5
279.16049	1.4
289.25305	1.8
291.23230	28.6
309.19119	1.7
310.58163	1.3
316.21121	1.1
317.24536	2.1
335.25787	7.0
380.27271	1.0
535.31262	1.8
661.45178	7.0
678.47913	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	678.4067
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.3
53.03951	3.0
55.01870	2.7
55.05515	5.7
56.05032	3.4
57.03439	2.6
57.07075	2.1
60.04530	2.3
62.29644	1.1
65.03958	1.4
67.05514	14.9
67.05853	1.8
69.03445	6.8
69.07072	4.2
69.51039	8.2
70.06608	2.2
71.04989	3.4
78.54193	1.1
79.05496	14.7
80.05012	2.6
80.56221	1.1
81.03418	8.4
81.05791	2.2
81.07063	15.8
82.06594	3.5
83.04971	1.7
83.08635	2.6
85.02910	5.1
85.06525	1.1
87.00844	2.3
87.04459	2.3
88.07631	1.9
91.03945	1.5
91.05477	9.4
92.05829	1.4
93.07048	21.9
94.06580	14.7
94.07162	1.5
94.07417	1.0
95.04983	3.9
95.08622	20.9
96.08165	1.3
97.02901	3.8
97.06548	5.4
97.10194	2.0
98.21572	1.2
105.07038	14.3
106.07365	1.5
107.07363	2.7
107.08582	2.5
109.02886	3.6
110.09696	9.5
111.08100	13.0
117.07016	1.7
119.08580	2.5
121.06488	1.5
121.10177	3.2
122.09682	28.5
123.08078	25.3
127.03938	3.3
128.10732	30.6
131.08545	2.0
135.11670	1.3
140.10715	100.0
141.09128	11.7
145.10188	1.5
158.11807	7.7
163.03853	1.6
175.18111	1.2
184.07442	1.5
193.05028	2.3
194.40240	1.3
201.05350	1.2
217.05075	1.4
228.64075	1.0
256.26398	3.3
257.26730	1.5
272.25800	8.0
317.33737	1.4
321.28021	1.4
364.32208	2.2
382.33270	8.6
394.33237	21.9
412.34253	79.3
413.34711	1.4
516.33820	2.2
589.89893	1.4
674.17047	1.4
678.38800	2.0
678.55078	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	678.4787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.8
57.07081	21.3
59.05013	1.0
69.07055	1.4
69.16303	11.4
71.08639	37.2
73.06542	3.1
79.05494	1.3
85.10191	21.8
87.04474	20.6
88.08456	1.0
88.33778	1.3
89.06037	100.0
91.05490	9.9
93.07047	6.2
95.05003	1.2
103.05445	1.6
105.07039	3.1
107.04973	3.6
107.08616	1.9
117.07046	2.5
117.09083	1.3
119.04994	1.9
119.08581	4.1
121.06513	20.8
127.14826	1.8
131.07059	9.6
131.08537	1.8
133.08615	65.7
135.08058	5.9
135.11752	1.3
136.05273	1.2
147.08069	9.3
149.09605	6.8
149.13210	1.0
150.06781	2.5
163.11185	4.8
164.08372	1.3
165.09132	8.1
167.10707	1.6
175.09673	5.9
175.11084	1.5
177.07811	1.6
177.11256	26.0
177.12726	1.4
184.07426	1.2
191.10657	4.3
193.12245	2.2
195.98631	1.0
200.38432	1.1
209.11766	3.9
211.13304	2.5
221.13908	4.7
235.13280	2.9
247.20589	17.7
253.14600	1.1
255.15874	1.9
265.16507	3.3
273.22150	5.0
289.25223	1.6
291.23218	29.9
317.24817	2.3
335.25797	6.9
353.21790	1.5
437.32153	1.1
535.31104	2.1
661.44965	8.2
678.47278	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	677.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	20.2
53.43168	4.2
55.01887	7.8
55.05516	26.5
57.03429	14.4
57.07075	4.6
57.29366	3.6
59.04987	5.5
61.02925	6.7
62.99698	3.6
65.03931	6.6
67.05506	100.0
69.03433	31.7
69.07072	26.7
71.04996	10.4
73.02918	5.6
79.05495	71.9
81.03419	46.5
81.06593	5.7
81.07055	78.1
83.04976	17.3
83.08615	15.2
85.02897	21.3
85.06520	7.3
87.04459	5.4
89.06027	24.7
91.05484	71.8
93.07050	71.9
95.04968	21.0
95.08602	48.4
97.02885	23.5
97.06528	10.6
97.10169	7.8
99.04469	12.5
103.05468	9.2
105.07030	97.8
105.07706	7.8
106.07345	6.5
107.04948	8.2
107.08594	37.7
109.02882	15.6
109.06511	12.3
109.10175	30.0
111.04436	14.9
111.08104	6.8
115.05432	4.7
117.07030	28.0
119.05000	4.0
119.08589	38.0
121.06502	12.8
121.10152	31.7
123.04457	4.8
123.08084	10.3
123.11724	10.1
125.09606	9.3
127.03910	11.5
128.06198	5.0
129.05492	5.7
129.06998	18.6
131.08559	32.1
133.06464	12.5
133.08588	9.5
133.10117	36.0
135.08102	18.8
135.11681	28.6
137.05952	6.2
137.09596	6.0
137.11404	4.4
141.06978	7.3
143.08549	10.5
145.06479	5.8
145.10147	25.1
147.08034	10.3
147.11720	20.8
149.09645	21.1
149.13263	5.4
151.11218	5.2
155.08583	10.0
157.10078	9.3
159.08041	7.6
159.11729	15.0
161.06026	4.8
161.09546	6.4
161.13385	6.1
163.07462	4.8
163.11191	14.4
169.10129	7.4
171.11726	14.4
173.04472	5.2
173.09619	7.3
173.11777	4.8
173.13159	4.6
175.11166	8.3
177.11259	5.1
177.12788	4.2
180.40308	4.1
181.10179	7.1
185.13298	8.3
187.14775	4.4
189.11243	5.2
189.12816	4.2
191.10635	7.7
193.04898	5.0
193.12180	4.9
197.13368	4.7
199.09445	3.9
199.11197	6.1
203.03410	5.3
209.11694	24.8
211.11243	5.1
213.16373	4.2
215.17883	7.9
217.04970	4.4
223.11353	4.1
223.15005	4.3
227.12679	9.3
227.16344	8.9
229.14333	7.6
233.19131	5.2
243.17484	5.0
245.18925	6.2
256.26352	6.6
261.18579	5.1
265.19867	4.3
273.18405	3.9
283.15387	11.3
287.20035	4.6
308.09555	4.2
353.13855	6.0
362.17120	4.0
405.27621	7.2
423.29153	6.4
453.92169	4.0
491.33987	9.9
497.32544	13.8
515.33740	65.4
533.34485	13.4
641.36725	10.0
659.37762	15.7
677.38269	61.2
680.76678	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	677.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.7
54.71535	2.2
55.01846	2.9
55.05521	19.2
57.03429	5.2
57.07071	5.3
61.02930	14.7
65.03937	3.9
67.05509	79.8
69.03428	5.8
69.07072	14.9
70.65063	2.3
71.04967	3.5
73.02921	8.7
79.05504	45.5
79.80498	2.1
81.03428	5.8
81.07062	100.0
83.04977	3.0
83.08610	6.8
85.02903	15.9
85.06542	3.6
91.03974	15.5
91.05491	29.1
93.06483	4.4
93.07049	60.4
95.04970	5.7
95.08613	75.5
97.02883	14.2
97.06525	7.8
97.10142	5.1
98.20758	7.9
105.07050	19.5
107.08600	38.2
109.02943	2.8
109.10162	42.9
111.08044	4.9
117.07018	11.2
119.08606	21.3
121.10151	36.5
123.11718	20.0
127.03905	8.2
131.08569	20.8
133.10149	15.5
135.11705	25.8
137.09589	3.6
137.13258	7.4
139.11211	2.7
141.18642	2.4
145.04944	6.2
145.10107	11.4
147.11684	15.8
149.09642	3.0
149.13243	23.8
159.11690	12.6
161.13332	13.3
163.06067	9.2
163.14870	12.1
163.15988	2.3
165.12848	2.4
173.13257	14.4
175.14786	4.4
177.16412	5.8
187.14798	8.7
229.38748	2.7
231.90871	2.3
233.22496	3.6
242.05728	4.6
243.21097	33.8
261.22141	96.5
279.23196	5.2
325.14310	5.4
335.25790	27.5
353.13608	10.9
353.26926	29.0
358.16287	4.8
427.17490	4.8
479.29742	3.9
497.31201	7.6
677.25824	2.9
677.35938	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	677.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	17.6
55.01877	13.4
55.05267	2.9
55.05513	32.1
57.03440	15.6
57.07071	6.1
59.04996	5.0
61.02922	2.7
65.03955	5.0
66.25406	1.6
67.05508	64.8
69.03429	28.7
69.07081	16.9
71.01326	1.9
71.05000	14.3
71.08633	4.3
73.02899	2.1
79.05499	70.4
81.03423	100.0
81.07056	54.2
83.04978	28.6
83.08619	16.4
85.02926	13.0
85.06557	5.0
86.09715	2.1
87.04458	3.9
89.06029	6.1
91.05486	46.7
93.07050	67.6
95.04963	14.4
95.08613	31.9
95.09192	3.4
97.02893	28.6
97.06532	10.6
97.10171	11.0
98.21552	4.0
99.04453	11.2
99.08093	3.1
103.99249	1.6
105.04500	2.3
105.07036	48.3
107.04979	9.7
107.08600	33.3
109.02879	22.6
109.06532	6.7
109.10176	17.3
111.04454	26.3
111.08099	11.0
115.05472	3.7
117.07017	20.2
119.04910	2.9
119.08587	29.4
120.08898	1.7
121.06497	5.2
121.10147	30.2
123.04523	2.9
123.08067	3.7
123.11736	4.9
125.05994	1.8
125.09643	13.3
127.03937	20.7
128.06180	4.5
129.05501	5.0
129.07013	12.1
131.04921	2.2
131.08556	20.1
133.06499	3.2
133.08640	2.1
133.10139	19.9
135.08054	8.2
135.11697	31.2
137.06024	2.9
137.09630	2.7
139.07544	1.9
141.07016	5.8
142.07759	1.8
142.60893	1.7
143.08572	8.7
145.06514	4.5
145.10132	27.8
147.08047	4.5
147.11661	14.2
149.09654	6.2
149.13261	5.3
151.11235	1.7
153.07068	2.3
153.09177	1.6
153.12753	24.6
155.08585	9.2
157.10155	9.1
159.08113	2.3
159.11670	13.4
161.05878	2.5
161.09599	4.1
161.13310	5.2
163.11186	28.3
164.07030	2.1
167.08543	3.0
169.10147	6.2
171.08228	2.0
171.10391	1.8
171.11713	9.7
173.04472	26.2
173.09641	5.8
173.13257	11.0
175.11191	3.1
177.07834	5.0
181.10103	4.1
181.12257	20.8
183.11705	6.6
184.07397	4.7
185.13210	4.3
187.14845	5.0
189.09361	1.5
189.11160	7.8
189.12732	2.1
189.16432	2.2
191.10670	18.3
193.12285	3.7
195.11758	3.0
197.13319	4.6
197.23459	1.6
199.11165	2.8
201.12782	2.1
205.19525	1.9
209.11661	10.6
211.13164	2.5
213.16452	5.1
215.17975	11.9
221.13466	2.0
225.12767	2.3
227.12772	49.2
227.14915	2.5
227.17920	1.9
231.17470	5.9
233.19009	8.2
245.13885	2.5
245.18973	2.0
253.19473	2.5
271.20612	6.3
272.48743	1.7
273.18680	3.0
283.15347	20.7
289.21613	3.8
301.16501	5.1
303.17822	2.3
307.22687	30.8
307.25964	3.1
323.20059	2.0
325.21622	2.3
341.21005	4.6
345.24792	2.0
353.16055	7.5
395.22894	1.7
405.28165	4.0
415.24683	2.3
423.29041	5.3
427.19489	9.2
433.25488	3.0
441.30112	3.2
459.30783	2.5
487.34363	4.7
497.32471	9.6
515.33759	40.0
533.34613	7.8
623.35767	3.2
633.45642	11.2
641.36639	2.4
659.37396	13.5
677.38599	28.4
677.48242	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.371
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59102	0.3
53.03944	0.4
55.01854	0.3
55.05508	0.7
67.05511	1.5
69.07049	0.4
71.22000	0.5
71.22321	0.4
73.02924	0.3
76.50822	0.3
79.05492	1.2
81.03422	0.9
81.07069	1.5
83.05001	0.4
83.08627	0.3
85.02916	0.4
87.04486	0.4
88.07636	0.3
89.06015	0.7
91.05482	1.2
93.07044	0.6
95.04989	0.4
95.08602	0.9
105.07047	2.5
107.08653	0.6
111.04490	0.3
117.07014	0.4
119.08615	0.7
121.10152	0.5
131.08588	0.5
133.10138	0.4
135.08043	0.4
145.10100	0.4
147.08046	0.6
185.04224	0.7
191.03404	0.3
202.42563	0.3
215.03419	0.4
256.26364	0.4
259.07938	0.5
333.24701	0.5
347.09467	1.3
351.86118	0.3
371.14835	0.4
515.31952	23.5
516.32501	0.8
659.36804	0.4
677.37146	100.0
678.37494	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	677.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.8
57.57982	0.7
59.04987	0.8
62.52933	0.7
67.05504	0.9
69.03452	1.2
69.39542	3.0
69.39947	1.5
69.91253	0.6
78.28818	0.6
79.05520	1.1
81.03435	0.9
81.07072	1.5
85.02924	1.1
85.06511	0.7
91.05486	1.5
93.07056	1.4
95.08644	1.0
107.08567	0.9
110.09651	0.6
119.08540	1.0
121.06540	0.6
121.10130	0.9
123.08082	0.6
130.40094	0.6
132.38060	0.6
133.10229	0.7
135.93567	0.6
140.10696	0.8
166.01067	0.6
216.11858	0.6
275.57150	0.6
367.15503	0.9
374.13937	0.8
376.15491	1.3
382.17593	0.8
388.15485	1.4
389.16205	2.1
393.16498	0.7
393.31577	0.8
399.14847	1.1
402.17386	1.4
403.13220	0.9
403.17712	2.7
404.18820	1.4
408.19232	0.9
410.32669	0.9
411.33136	1.6
413.16440	1.1
415.18030	1.7
416.14969	1.7
417.15411	5.0
421.18738	1.2
427.13824	1.0
428.14847	1.1
429.15811	7.5
429.28348	2.4
430.16846	0.8
431.17642	5.6
432.18588	3.0
441.16260	0.8
442.16504	3.1
443.17355	3.3
444.18204	8.1
445.18979	2.8
455.13196	3.5
456.14447	1.0
457.27383	0.7
458.11841	1.1
459.16547	4.0
460.13458	1.4
470.15961	22.9
471.16684	5.7
472.13889	1.1
473.13626	0.8
475.19839	1.3
477.21533	0.9
482.12408	1.1
483.16953	1.3
485.13406	0.7
486.15570	1.2
487.16193	6.5
488.17142	2.1
489.17828	0.9
490.22357	2.6
497.14447	11.3
498.15302	2.2
499.16232	3.0
500.12851	0.7
501.18597	3.4
502.18564	33.1
503.19113	2.9
511.16757	1.6
515.15442	8.9
516.16608	2.2
518.21716	4.4
528.17175	1.3
529.17505	2.4
530.17859	3.8
546.21271	1.8
573.32343	0.7
574.20709	2.4
575.21442	1.3
576.22089	2.9
585.20282	1.2
589.22955	2.0
591.33972	1.8
602.20557	1.0
603.20337	0.8
606.23267	1.5
616.21704	10.2
617.22156	1.2
618.24036	0.9
631.24036	3.2
633.34900	3.4
634.22668	18.6
635.23584	27.0
636.24304	1.0
677.24530	100.0
677.33484	4.9
678.24988	3.1
696.07935	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
66.92316	0.3
69.22626	0.5
69.23024	2.2
85.49216	0.3
93.07026	0.3
93.73395	0.2
94.28996	0.2
100.84290	0.3
105.22037	0.2
196.67487	0.3
253.83023	0.3
291.87250	0.3
316.46216	0.3
399.14825	0.5
400.15506	0.4
412.15408	0.3
413.15961	0.5
416.14828	0.5
425.16812	0.5
426.17313	0.5
428.19061	0.6
429.15735	1.1
430.16489	0.9
439.13901	0.4
440.19168	0.4
441.20172	1.7
442.16672	0.7
443.17328	1.3
444.18021	1.2
445.18814	2.7
453.15793	0.5
454.16879	0.5
455.12653	0.4
455.17633	0.9
456.18509	0.7
457.15115	2.0
467.13364	1.2
467.18024	0.7
468.14236	0.9
469.15277	2.5
470.15912	1.1
471.16550	3.4
472.17526	1.2
473.18192	0.4
480.14050	1.5
481.14856	3.4
482.15738	3.1
483.16666	4.6
484.17508	0.9
485.18555	3.6
486.19086	0.4
494.15836	0.4
495.16660	10.5
496.17514	5.3
497.18253	10.2
498.19330	1.7
499.16330	1.0
499.21161	0.4
500.16898	0.8
502.18564	0.5
503.19659	0.4
510.19400	0.4
511.19983	1.1
513.17645	1.5
514.18109	0.5
515.19397	0.7
527.19318	0.5
528.16162	0.4
529.20813	1.0
542.17908	0.8
545.24420	0.3
555.18628	10.8
556.19617	0.9
557.20410	0.8
569.19946	0.3
573.23926	3.4
583.21790	0.7
585.22919	0.6
601.22791	0.5
616.21887	0.3
617.22388	3.1
618.23761	0.3
627.21625	0.3
643.23920	3.5
644.24384	1.2
645.21942	2.5
657.25409	0.7
660.24353	5.4
661.24829	0.3
675.26636	100.0
676.26862	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	675.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
68.87064	0.3
69.69721	1.9
88.95993	0.3
98.21407	0.7
220.48965	0.4
231.55182	0.4
358.13483	0.4
413.16269	0.5
430.16885	0.4
445.18964	0.5
453.15707	0.5
454.16827	0.6
455.13431	0.6
456.14374	0.6
467.12494	0.6
467.18054	0.8
468.14325	1.4
469.14728	6.1
470.16025	1.5
471.16739	1.4
472.17566	0.4
481.14609	1.9
482.15854	8.4
483.16620	9.2
484.17450	2.3
485.18362	0.8
495.16858	2.9
496.17480	4.5
497.18271	33.0
498.18900	4.0
499.19928	0.7
500.16968	0.7
510.18896	1.3
511.19958	4.4
512.21057	0.9
515.19403	1.0
528.16602	1.4
529.21112	0.4
538.20599	0.5
541.17529	0.8
542.18079	2.0
555.18768	4.2
556.19592	3.7
557.20264	2.6
569.20020	0.8
585.23730	0.5
617.22260	0.9
629.22388	0.6
643.24133	5.8
644.24854	6.1
645.24268	1.1
657.25665	5.3
658.25073	0.7
660.24213	1.1
675.26654	100.0
676.26880	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	674.5051
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54259	0.4
55.05510	0.6
57.03440	5.8
59.01302	0.4
59.05003	100.0
60.05334	0.4
67.05509	2.6
69.03425	0.5
69.07085	0.7
69.75399	2.3
79.05495	1.8
81.03426	0.7
81.07067	1.9
83.08634	0.6
85.02926	0.6
87.04491	0.8
87.08158	0.4
89.16540	0.5
91.03960	0.5
91.05499	1.7
93.07062	1.3
95.08627	1.0
97.06551	1.0
97.10149	0.6
99.08126	2.0
100.07611	0.5
101.09701	1.4
103.05493	0.6
105.07018	1.0
107.08610	0.5
109.10176	0.7
113.99860	0.4
115.07575	3.7
117.07034	0.9
117.09136	34.0
119.08631	0.7
121.06524	0.4
121.10201	0.6
131.04927	0.5
131.08603	0.5
133.10156	0.8
137.06055	0.7
145.06470	0.5
147.11705	0.6
149.05991	1.4
159.11758	0.5
161.13306	0.5
163.03975	1.2
163.07683	0.8
173.11795	0.5
175.07649	0.6
175.13306	14.1
175.14732	0.9
184.07474	0.5
213.16417	0.4
233.17537	4.8
291.21860	1.0
299.11325	0.5
330.86789	0.4
388.28690	0.8
660.19104	0.5
674.34833	1.1
674.37054	0.9
674.49927	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.5047
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66279	0.5
55.05511	3.5
55.35721	0.4
57.07077	32.6
58.07407	0.5
59.05009	4.2
67.05499	1.3
69.00050	0.5
69.07063	2.5
69.35094	3.3
71.08633	26.3
73.02918	1.2
73.06181	0.8
73.06561	9.1
75.01746	0.5
79.05488	1.3
81.03416	0.6
81.07052	2.1
83.04977	0.7
83.08614	2.4
85.10182	18.8
86.09689	0.9
87.04474	9.4
89.06032	100.0
91.05495	1.4
91.07578	0.7
93.07034	1.5
95.08580	1.5
97.10172	3.2
99.11749	3.7
101.06011	0.6
103.07574	0.8
105.07055	2.3
107.07046	1.4
107.08574	0.8
111.11716	0.8
113.13297	1.5
115.07584	0.6
117.09139	8.4
119.08592	0.9
121.10139	0.8
124.99975	0.5
130.08650	1.6
131.07039	3.1
133.08609	45.6
134.58281	0.5
135.10182	1.6
135.11714	0.6
145.10085	0.7
155.17964	4.5
161.11766	1.9
174.85213	0.6
175.09717	1.9
177.11229	19.5
184.07402	1.7
199.20581	3.4
221.13823	4.5
223.07527	0.5
239.14841	0.9
243.23186	7.8
265.16458	1.1
283.17508	1.0
287.25800	5.0
307.22638	0.6
309.19073	0.9
327.20239	0.5
363.15878	0.5
371.22452	0.5
400.38861	0.5
461.98331	0.6
503.30951	1.4
657.47974	3.1
674.48248	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.4112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.0
55.01868	4.2
55.05515	12.2
57.03441	13.8
57.07076	2.8
59.05008	4.2
61.02922	4.3
64.69765	1.3
67.05509	41.7
69.07074	98.0
73.06565	9.8
79.05496	49.4
81.03426	5.1
81.06593	2.8
81.07058	40.6
83.08624	5.3
85.02901	3.1
87.04456	2.5
89.06025	9.1
90.06396	2.2
91.05486	16.9
93.07052	30.5
95.04993	3.7
95.08620	31.5
97.06539	34.7
103.05457	2.0
105.07040	26.8
106.07361	11.1
107.04959	3.6
107.08601	19.6
109.10150	13.9
115.07574	6.6
117.07024	6.1
119.08601	9.9
121.06548	2.4
121.10146	15.2
123.08100	1.8
123.11719	5.0
125.05095	1.6
125.05995	28.8
131.08549	9.2
131.43811	1.7
133.08623	6.8
133.10114	7.4
135.11665	10.8
143.07053	72.4
145.10114	7.1
147.08037	3.4
147.11705	4.5
148.08354	2.0
149.13271	5.3
153.09125	2.9
159.11670	5.9
161.08096	12.5
161.13271	5.1
163.14810	4.5
173.13278	5.9
184.07370	2.4
187.14897	4.3
199.09666	38.0
217.10721	100.0
225.12767	2.0
226.13113	2.2
236.15079	2.4
243.21072	10.0
261.22144	25.8
279.23135	2.4
305.20734	1.6
317.24835	3.1
335.25824	83.1
353.26831	4.9
361.23807	1.9
459.31018	4.5
477.32291	28.6
495.32919	2.0
513.15900	1.7
615.23126	2.0
642.22736	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	673.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40075	3.2
55.05514	7.2
57.03432	3.2
57.07073	11.5
59.05011	18.1
67.05515	16.4
69.07082	9.0
71.04981	3.5
71.08627	9.3
71.49403	4.4
79.05497	14.5
81.07054	18.1
85.10208	3.9
86.09658	3.4
87.04483	4.9
89.06030	28.4
90.06396	3.8
91.05515	16.5
93.07050	17.2
95.04973	12.5
95.08626	17.2
97.06530	4.1
98.44655	3.3
99.08118	3.9
105.07030	45.8
106.07386	14.5
107.08585	17.3
109.06524	4.2
109.10175	3.7
117.07044	4.0
117.09087	4.4
119.08600	9.3
121.06520	4.7
121.10150	9.1
123.11634	3.8
125.09648	6.0
131.08556	6.4
133.08609	13.8
133.10156	12.2
135.11661	6.2
136.76891	3.2
159.09125	5.3
159.11710	3.7
162.43689	3.3
195.41743	3.3
201.16457	3.1
209.10747	6.5
214.08636	5.9
221.15430	7.2
223.12218	5.4
225.13892	12.4
226.24435	3.3
237.13895	6.9
238.14737	13.7
239.15382	3.9
250.13400	3.7
251.15440	4.5
253.17087	8.5
253.76897	3.5
254.17651	4.7
258.12576	3.5
262.13757	3.2
297.42249	4.0
300.15820	10.7
315.17688	4.9
316.18228	5.0
326.16437	4.8
341.18958	3.5
360.97165	3.4
377.17682	6.5
378.18503	3.6
379.19479	3.9
395.18454	4.8
405.16977	6.2
406.18240	5.5
407.18710	5.8
409.20224	6.8
411.22284	4.4
420.19733	4.4
421.19788	5.8
422.21234	5.1
423.21820	8.2
436.22980	4.0
438.20627	4.3
447.21536	4.6
448.19009	13.6
453.22867	5.4
455.24887	4.9
461.23581	4.1
462.19989	3.9
466.19861	9.2
468.25241	4.2
480.21582	12.7
483.23920	3.6
484.22882	3.6
496.24048	4.3
499.25989	4.9
507.23270	3.7
509.25620	7.3
519.23877	4.6
525.27814	6.0
527.27460	4.7
551.26373	8.6
552.25470	5.1
554.24567	6.8
569.27411	14.2
579.25934	4.0
585.28351	3.8
587.28601	12.1
594.24780	19.5
595.25513	96.1
596.25537	6.9
597.26965	4.5
598.25824	3.9
601.30060	12.7
605.23950	9.6
609.27094	57.8
610.27490	5.0
611.28632	21.4
612.26190	15.4
613.26355	8.7
614.27179	9.2
623.24780	6.4
629.29773	100.0
631.27435	12.3
637.26947	17.0
655.27374	18.8
673.28741	72.1
673.41534	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	674.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	3.2
55.05512	46.9
57.03440	14.5
57.07074	4.2
59.04993	4.8
61.02918	5.9
65.03940	2.0
67.05504	45.6
69.03427	6.2
69.07061	11.0
70.41624	1.8
71.04971	2.3
71.08628	2.9
72.82040	1.0
75.29446	0.9
78.64557	0.9
79.05493	45.3
81.03434	1.5
81.07053	39.6
83.04977	2.9
83.08620	28.8
83.29934	1.0
85.02891	4.7
85.06524	3.2
86.09690	1.6
87.04462	1.7
89.06057	1.7
89.36818	1.0
90.75811	1.0
91.03960	2.1
91.05483	16.8
93.07047	41.4
95.04983	2.0
95.08605	22.3
97.02906	2.7
97.06520	2.8
97.10169	57.6
99.08070	2.3
105.04489	1.1
105.07029	12.3
107.04954	1.1
107.08593	31.6
109.10164	15.4
109.10870	1.9
111.08057	2.4
113.09669	1.1
113.11582	1.1
117.07021	7.2
119.08581	8.4
121.10144	21.6
123.08063	1.2
123.11710	5.6
124.99916	1.7
125.09629	52.7
129.07031	1.5
131.08580	6.7
133.08649	1.9
133.10147	8.0
135.08087	5.8
135.11688	19.7
141.14040	1.0
143.10677	2.1
143.32838	1.0
145.10107	7.6
147.11688	5.6
149.09615	2.0
149.13269	9.0
151.11214	1.2
153.09105	3.6
154.16217	1.0
159.11714	6.1
161.13240	1.8
171.10202	7.1
173.13268	4.9
184.07352	5.9
189.11230	36.4
205.19557	2.8
215.17967	22.2
227.12784	62.5
233.19020	31.0
245.13852	100.0
251.19969	1.9
289.21811	2.1
307.22672	89.7
308.23087	1.3
313.27280	2.3
314.27759	2.1
315.28067	2.0
459.30991	5.5
477.32147	54.3
478.32446	2.9
495.33218	2.1
596.25690	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.5256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.4
55.05517	2.8
57.03430	0.7
57.07079	31.2
58.06604	3.3
59.05015	2.5
59.07376	1.1
60.08151	0.8
67.05505	1.6
69.07063	4.4
71.08634	30.3
71.49110	0.5
73.02910	0.6
73.06174	0.7
73.06561	9.5
79.05502	0.6
81.07058	1.8
83.08633	4.1
85.10187	17.9
87.04473	7.9
87.42226	0.4
89.06036	100.0
91.05457	0.7
91.07591	1.1
93.07007	0.6
95.08620	0.8
97.10176	6.3
99.11746	2.9
105.07037	0.9
107.07082	1.6
107.08604	0.4
111.11730	3.7
113.13291	1.7
117.09146	8.6
125.13291	1.9
127.14822	1.8
130.08653	2.1
131.07062	2.7
133.08612	52.7
135.10173	1.1
141.16389	1.2
144.10234	1.5
151.09644	0.4
155.17998	0.7
161.11760	1.7
175.09688	1.4
177.11238	20.0
197.22664	2.2
205.76221	0.4
221.13818	4.3
236.14938	6.8
237.15256	1.6
238.15453	0.7
239.14926	1.0
241.25237	1.5
241.44904	0.4
265.16364	0.5
283.17508	1.8
285.27893	5.6
309.18814	0.7
329.30447	3.2
353.21600	0.5
371.22668	0.7
392.69940	0.4
415.24890	0.9
459.27896	2.1
474.37613	0.5
475.38666	0.5
541.27496	0.9
568.26196	0.6
590.19464	0.5
628.28595	1.0
640.47491	1.1
655.49835	3.6
672.50110	10.3
673.25745	1.6
673.35992	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.411
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.4
53.03944	1.3
55.01874	0.4
57.03451	0.4
59.05005	0.5
67.05498	0.7
73.02922	0.4
73.06553	0.7
77.03933	0.8
79.05495	6.4
81.03419	0.8
81.07062	0.7
85.31146	0.4
87.04019	0.3
87.04473	6.2
89.06032	44.0
91.05483	6.6
93.07053	2.9
95.04964	2.0
95.08610	0.8
103.05464	5.5
105.07034	100.0
106.07374	1.0
107.04951	1.0
107.07098	0.6
107.08578	0.4
117.07019	0.8
117.09142	0.4
119.04926	1.3
119.08579	3.4
121.06511	19.9
128.06245	0.7
129.06993	2.4
130.08640	0.7
131.07051	1.3
131.08569	5.8
132.05737	0.5
133.08606	29.5
135.08089	0.6
135.79556	0.4
145.06474	0.9
147.08052	24.2
149.09610	5.6
155.08495	0.3
163.11162	0.4
165.09106	2.5
173.09637	0.6
175.09724	0.8
175.11137	0.7
177.11223	10.5
181.10129	1.0
184.07382	0.4
191.10606	0.7
193.12288	0.6
207.11674	0.4
209.11737	1.0
221.13843	2.3
223.11195	2.0
225.12744	12.7
227.12778	0.4
241.91554	0.3
249.12779	2.0
251.14301	2.5
253.14403	0.5
255.16066	0.4
265.16354	0.7
269.15387	4.9
271.15427	0.5
311.16541	0.5
313.17969	1.8
315.18057	0.8
327.17303	0.4
329.19153	0.5
353.22638	0.4
359.20569	0.8
373.21680	4.6
374.22327	0.4
402.92249	0.3
403.23419	0.4
404.68289	0.4
447.25879	2.6
551.24384	0.6
551.32080	4.0
596.88861	0.3
613.22784	1.4
655.38037	1.1
672.42969	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.3
55.01865	0.3
55.05511	0.3
57.03432	0.3
57.38606	0.3
58.22721	0.3
58.66428	0.3
67.05497	0.8
69.07066	0.3
71.49734	0.3
73.29665	0.3
79.05487	0.6
81.07075	0.8
85.02927	0.5
91.05490	0.7
93.07042	1.0
95.08634	0.3
98.09647	0.3
104.85584	0.2
105.07035	0.4
137.06001	0.3
145.10088	0.3
172.79013	0.3
173.75194	0.2
185.04219	0.8
203.05304	1.2
259.07983	1.3
273.17093	0.5
347.09531	1.1
351.18640	0.3
365.10684	2.8
421.13239	1.0
471.61688	0.3
509.27234	16.0
510.27655	0.7
539.19769	0.3
627.40588	0.6
671.32483	100.0
672.32916	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	672.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	0.5
51.02374	0.8
53.03938	1.5
55.01872	0.5
59.04992	0.7
61.78711	0.3
67.05505	0.8
70.09345	0.8
70.09708	0.8
73.06552	0.8
77.03954	0.7
79.05493	4.8
80.21976	0.3
81.03413	0.6
81.07066	0.7
87.04475	6.8
89.06033	43.9
91.05476	8.2
93.07063	2.3
95.04975	1.6
95.08612	0.4
98.21404	0.5
103.05463	6.6
105.07032	100.0
106.07372	0.7
107.04961	1.5
107.07066	0.6
107.08598	0.5
114.32960	0.4
115.05482	0.5
116.06216	0.4
117.07035	1.1
117.09137	0.9
119.04954	1.5
119.08575	3.7
121.06506	18.7
128.06210	0.9
129.06987	2.5
130.08647	0.6
131.07031	1.5
131.08565	6.5
132.05722	0.7
133.08606	31.4
135.08041	0.4
135.11667	0.4
137.06020	0.4
145.06508	1.4
147.08052	27.2
149.09618	6.0
163.07523	0.5
163.11205	0.5
165.06973	0.4
165.09099	2.7
173.09605	0.5
175.09679	1.3
177.11227	10.7
179.08626	0.6
181.10150	1.0
191.10573	0.4
193.12376	0.6
209.09993	0.3
209.11778	1.8
221.13858	2.2
222.10487	0.5
223.11221	2.0
225.12744	15.6
227.12779	0.6
235.13136	0.5
249.12782	2.3
251.14261	2.7
255.15877	0.4
265.16446	0.9
267.13828	0.6
269.15305	4.5
309.19177	0.4
313.17957	1.9
315.18097	1.2
359.20483	0.5
373.21640	3.8
403.23227	0.6
407.96936	0.4
447.25717	2.9
463.27032	0.5
507.29794	0.8
551.32233	4.4
576.69629	0.5
640.28802	0.4
654.26019	0.4
655.38452	0.9
672.41919	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07235	0.7
55.05492	0.8
58.06598	1.1
59.04996	1.5
67.05503	1.8
68.17414	0.5
74.85658	0.6
79.05479	1.1
81.07059	1.9
89.06017	0.9
90.62759	0.6
90.92961	0.6
91.05495	1.3
93.07040	1.2
95.04983	0.8
95.08608	1.2
98.20746	1.6
103.05475	0.7
105.07037	12.7
117.85324	0.7
121.06482	0.8
133.08611	1.3
139.47684	0.6
139.99522	0.7
147.08105	0.7
159.97563	0.7
163.14935	0.6
200.66650	0.7
201.96275	0.6
236.15054	1.7
367.19171	1.3
377.17941	0.9
379.19489	1.0
381.21237	1.0
391.19672	0.8
393.21436	0.8
394.21841	0.7
395.18622	0.9
396.20276	0.8
405.20828	1.1
406.17993	1.1
409.20602	1.0
410.21094	1.0
418.18246	0.8
419.18829	1.0
420.43405	0.7
421.20444	1.2
422.20721	1.1
423.17896	1.2
425.23734	1.3
435.22342	1.0
436.23187	0.9
437.23611	1.1
438.20435	4.2
439.21530	1.8
445.20258	1.4
446.21173	1.3
448.22882	1.1
449.18939	0.8
449.24307	0.9
453.22867	8.9
454.23413	1.5
459.21732	1.1
460.22534	1.4
461.23801	1.1
462.20544	1.0
464.22598	0.8
465.22940	2.0
467.24747	0.8
469.26071	1.7
474.24341	1.3
476.22318	2.1
477.22906	2.7
479.20966	2.6
483.24100	2.1
489.23236	0.9
490.23547	1.0
493.22256	0.7
495.24298	0.9
497.25543	4.5
501.22327	0.8
502.23947	0.9
503.20822	2.3
507.23923	2.0
512.27789	2.7
520.25043	1.2
521.21765	0.8
523.19733	1.5
524.24335	0.7
525.25323	3.1
533.25482	1.9
535.27167	1.0
536.24518	1.3
537.25055	1.2
538.25671	2.8
539.26202	1.2
540.27386	6.9
545.25598	1.6
551.26672	2.7
561.24823	1.5
563.26471	2.6
564.23822	1.0
565.24622	0.9
579.26086	2.0
589.24377	2.7
593.28076	1.6
607.25824	1.2
611.28546	3.1
639.27991	8.3
640.27698	1.1
671.30725	100.0
672.30707	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	671.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54536	0.6
54.08288	0.6
55.05526	0.8
56.53891	0.5
57.07069	0.7
57.16472	0.6
58.06582	0.7
59.04998	2.2
60.45101	0.6
61.78069	0.5
67.05493	1.8
69.07059	0.8
69.84444	3.4
73.15104	0.6
79.05499	1.3
81.03430	0.7
81.07063	1.7
89.06033	0.7
89.24052	0.6
91.05495	1.3
93.07052	1.3
95.08617	1.0
105.07045	4.5
107.08610	0.6
131.07350	0.6
131.08571	0.7
145.06616	0.7
180.21623	0.6
223.12462	0.8
225.13971	0.9
233.55206	0.6
235.12326	0.7
236.14961	1.9
241.75958	0.7
243.11218	1.1
261.13739	0.7
263.11801	0.6
286.13651	0.7
304.14371	0.9
333.14874	0.9
333.52533	0.6
363.16135	0.7
365.17816	1.5
367.19260	1.8
378.18674	0.7
379.19388	1.4
381.17026	1.1
389.17282	0.9
395.18906	1.8
406.22372	0.7
407.18530	1.0
409.20691	1.3
410.21069	1.5
421.20358	1.7
422.20905	1.4
423.17902	1.3
425.23535	1.1
431.18555	1.5
437.19482	1.8
438.20374	2.9
439.21341	1.7
445.20401	2.0
446.21231	0.9
447.17429	1.0
447.22330	1.0
449.19803	2.0
450.20352	0.8
451.21130	1.7
453.22766	6.6
454.23544	1.3
459.21677	1.2
460.22849	2.2
462.20386	1.1
463.21658	1.4
465.23276	1.3
469.25916	2.3
473.23611	1.4
474.24066	2.4
475.21088	1.4
476.22443	1.5
477.23578	2.9
479.20953	1.9
480.24927	0.7
483.23935	1.6
491.20914	0.9
493.22144	1.6
497.25217	4.9
501.23566	0.9
502.24457	3.2
503.20959	2.2
505.18973	0.8
507.24469	1.5
508.24344	0.7
509.22943	0.6
512.27771	2.9
521.23212	1.1
522.22845	2.6
523.20325	0.9
524.24323	1.7
525.24829	4.1
529.22601	1.0
530.23303	0.9
533.25885	3.6
534.25720	0.8
536.24249	1.1
537.25146	1.2
538.25623	2.0
540.27301	8.7
545.25647	2.4
551.22089	4.2
552.23999	1.5
561.24731	2.3
563.26526	1.6
567.26135	1.4
579.26178	1.2
589.24188	5.8
593.27252	1.6
595.27362	1.0
607.25659	2.5
609.26892	1.0
611.24786	11.3
621.27509	1.2
627.28510	3.8
639.27319	11.8
653.29980	1.4
671.30688	100.0
672.31055	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	670.4014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.1
55.05517	21.1
57.03446	9.6
57.07076	8.0
59.05000	2.4
61.02929	14.9
64.68543	2.1
65.03947	5.0
67.05513	46.0
69.03439	3.2
69.07073	26.3
69.79832	5.5
69.80241	4.9
71.05006	4.5
71.08636	3.8
72.48824	2.0
73.02910	3.4
79.05500	34.9
81.03428	55.6
81.07062	47.6
83.04993	4.9
83.08626	19.4
85.02921	13.2
85.06537	2.8
91.03960	11.8
91.05493	42.1
93.07049	40.1
95.04971	6.0
95.08617	42.3
97.02916	9.6
97.06546	7.9
97.10181	12.7
105.07030	14.7
107.04966	5.6
107.08603	13.3
109.06538	3.4
109.10159	18.0
111.08168	2.4
111.11724	2.5
115.07502	2.5
117.07052	7.3
119.04983	4.7
119.08609	18.1
121.06532	10.4
121.10153	26.9
123.04465	10.9
123.08099	3.0
123.11727	9.2
125.06054	2.4
125.09723	2.4
127.03960	5.6
128.06335	1.9
129.07027	5.1
131.05000	2.0
131.08578	6.7
133.06503	3.7
133.10139	7.6
135.04445	5.4
135.11705	17.6
137.05986	37.7
137.09631	13.8
137.13254	4.9
145.05003	6.0
145.06473	2.4
145.10184	2.7
147.04411	10.1
147.08047	7.1
147.11711	6.0
149.06006	4.7
149.13283	8.4
161.06071	10.2
161.13348	2.0
163.03911	8.9
163.06064	7.6
163.07426	2.8
163.14867	3.3
165.09152	14.1
173.06018	7.6
173.09750	1.9
175.07610	5.6
183.10274	3.6
187.07629	4.0
199.07643	2.6
219.21129	20.5
229.12288	3.0
237.22159	40.3
255.23177	11.3
257.11813	8.4
261.21884	2.4
274.14398	3.0
301.14447	6.5
307.22818	6.4
311.25845	42.4
318.17056	11.3
319.15729	6.0
329.26895	30.3
335.25931	6.9
358.16638	3.4
374.19659	2.5
375.18347	2.5
391.60892	2.2
392.20685	23.6
410.22021	2.6
461.46698	2.2
626.40790	3.1
652.42072	4.5
670.43158	100.0
671.42767	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	670.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.4
55.01872	3.8
55.05517	29.4
57.03431	9.5
57.07074	10.4
61.02931	22.9
65.03929	4.8
67.05508	61.0
69.03429	5.5
69.07070	37.7
69.87005	8.0
71.04974	3.4
71.08641	6.7
73.02925	8.4
79.05074	3.8
79.05498	41.0
81.03426	33.6
81.07063	68.5
83.04977	6.9
83.08621	40.7
85.02913	24.2
85.06557	2.6
85.10194	3.2
86.09726	3.5
87.04478	4.0
91.03961	24.4
91.05492	35.0
93.07047	49.4
95.04969	7.2
95.08617	53.1
95.09191	4.5
97.02899	10.7
97.06554	16.3
97.10170	20.2
99.04443	3.1
105.07021	14.8
107.04994	3.3
107.08601	29.7
109.06530	2.8
109.10151	18.1
111.08045	5.3
111.11727	4.5
117.07068	6.7
119.05045	4.5
119.08569	19.3
121.06512	7.0
121.10150	55.1
121.11050	2.9
123.04488	5.9
123.08047	3.8
123.11734	10.2
125.09647	4.2
127.03915	7.4
129.07024	4.7
131.08607	9.2
133.06517	4.6
133.10162	4.8
135.04436	4.1
135.11702	36.0
137.05977	35.7
137.09621	9.8
137.13286	11.1
139.11238	3.5
140.15054	2.2
145.04985	10.4
145.10133	3.5
147.04433	8.8
147.08093	7.6
147.11797	3.1
149.05991	9.3
149.13275	13.9
157.06590	2.7
157.10112	3.8
159.11684	3.0
161.06001	10.7
161.13307	2.6
161.65237	2.3
163.03947	7.4
163.06102	11.1
163.07372	3.5
163.14865	3.6
165.09166	7.9
171.08063	2.8
173.06029	6.8
175.07603	3.8
183.08183	2.4
183.10226	4.0
184.07513	3.4
187.01067	2.7
187.07643	2.9
199.07658	2.5
199.11317	2.6
214.10222	2.3
219.21103	44.8
224.30179	2.3
229.12279	2.8
237.22150	82.2
240.55138	2.3
255.23196	19.6
257.11826	9.3
275.12860	3.5
279.17126	2.2
287.23724	2.4
301.14352	5.4
307.22870	4.1
311.25836	61.9
311.29239	4.1
318.17151	9.6
319.15524	5.4
329.17596	2.6
329.26862	49.3
335.25684	11.5
336.93643	2.9
374.19574	3.3
392.20718	16.0
402.06509	2.4
473.31442	4.0
537.17224	2.3
593.24103	2.7
626.40790	2.8
652.42090	7.2
670.43195	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03971	8.3
53.05465	1.6
55.01877	9.9
55.05510	5.9
57.03426	5.8
59.99101	7.0
61.00031	1.5
61.02918	5.9
62.72928	1.6
67.05515	2.6
68.99787	11.2
69.03436	25.4
69.07087	2.1
70.79567	1.6
71.04983	5.1
72.08149	2.4
73.02917	7.7
73.06558	7.3
79.05492	4.4
81.03427	31.3
81.07053	1.9
81.09911	1.8
83.04993	2.3
83.08605	2.0
85.02911	66.3
86.06077	4.6
87.00837	44.6
87.04440	1.7
91.03961	5.4
91.05474	2.8
95.04958	3.4
95.08594	4.7
97.02310	3.2
97.02903	53.5
99.04463	12.2
102.99670	2.1
105.01873	31.2
105.07028	3.5
106.06563	80.5
107.08596	1.9
109.02886	44.7
115.24606	1.7
119.08611	2.3
121.10157	2.0
123.08057	4.8
125.09654	16.8
127.03928	74.7
129.01837	2.3
132.04805	13.2
134.06065	3.8
137.02402	1.6
141.01886	2.0
141.06601	1.7
143.10698	4.8
145.05019	42.4
151.03885	3.6
157.13411	4.2
159.02888	6.0
169.05005	2.3
183.02858	3.3
184.30148	1.6
191.11819	3.0
193.50409	1.6
195.02913	7.0
206.14961	1.6
208.05428	5.4
213.03961	23.9
217.10020	7.7
231.05016	100.0
249.06073	54.9
250.10054	6.7
269.13925	8.2
272.08997	1.8
280.11279	4.4
287.14899	15.5
331.13849	8.9
380.10562	1.8
503.24197	5.2
565.24756	8.3
606.62866	2.0
608.30005	8.1
670.29535	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	670.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	8.3
57.12840	1.5
57.90200	1.9
59.04988	2.3
61.61020	1.6
62.67631	1.7
69.03432	22.2
69.07074	3.0
69.56806	11.8
85.02904	14.5
87.04479	11.9
91.05453	3.6
97.02906	18.3
97.06532	5.6
115.03921	22.5
115.05482	4.0
119.04980	2.8
122.03600	3.6
129.07034	2.5
131.04945	3.1
133.04979	18.2
137.05986	92.0
143.04953	9.0
145.29608	1.8
147.04491	2.1
150.07556	1.9
153.05455	3.0
157.06494	4.2
160.05171	11.7
163.03996	2.1
163.07545	3.4
174.06689	2.2
175.07562	100.0
176.07945	1.6
177.05385	1.7
187.07568	35.0
189.09152	8.2
205.08592	24.9
211.07468	2.1
217.08669	5.2
231.08063	2.2
233.11737	14.6
234.12122	1.7
235.07295	1.8
235.09682	35.6
250.14417	13.3
251.14748	2.5
271.09622	3.6
291.10138	4.2
311.12891	2.8
323.12720	5.6
341.13806	11.0
405.39026	2.1
637.22498	2.0
641.85883	1.9
650.45862	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.7
55.05317	1.0
55.05516	12.3
57.03438	7.8
57.07083	9.9
61.02928	23.7
65.03932	1.5
67.05508	57.0
69.03421	4.0
69.07072	15.9
70.82602	3.0
70.82944	1.7
71.04990	3.2
71.08629	3.6
73.02921	8.5
79.05495	20.1
81.07061	66.9
83.04996	2.9
83.08623	11.1
85.02908	26.8
85.06543	3.6
85.10188	1.9
89.58567	1.4
91.03963	22.3
91.05487	16.1
93.07054	20.6
95.04972	3.7
95.08613	63.6
96.08897	1.5
97.02896	13.0
97.06558	7.3
97.10172	7.1
99.08089	7.3
105.07036	10.7
107.08595	10.6
109.02844	1.4
109.06507	2.1
109.10163	21.4
111.08095	3.2
111.11700	1.5
113.09651	7.3
119.08595	15.9
121.10146	16.2
122.98840	1.5
123.04379	1.5
123.08064	1.9
123.11688	11.8
125.09629	2.0
127.03909	8.3
127.11180	5.4
133.10130	19.5
135.11711	17.6
137.09650	2.5
137.13272	17.2
139.11177	2.0
145.04987	11.8
147.11685	11.9
149.05945	1.3
149.13307	7.0
151.11171	2.5
151.14815	12.3
153.12721	1.7
161.13307	10.5
163.06018	16.1
175.14833	5.5
176.24892	1.6
189.16406	3.8
191.17863	1.6
217.19521	75.5
235.20580	100.0
253.21619	2.8
266.20151	1.4
309.24252	43.6
327.25281	12.2
400.08713	1.3
404.16098	1.5
471.29492	7.2
650.40887	1.6
668.40497	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47419	0.7
54.56328	0.8
55.05514	1.0
57.03441	0.8
59.04992	1.3
67.05508	3.5
69.07082	1.3
69.81475	0.6
69.81888	0.7
79.05513	2.6
80.05032	0.7
81.03430	1.0
81.07069	3.0
89.06057	1.1
91.05495	3.2
93.07059	0.9
95.04984	1.5
95.08615	1.8
105.07042	3.0
106.06592	1.2
107.08644	1.0
109.10187	1.3
109.44361	0.8
117.07071	0.8
118.06520	1.0
120.08134	0.8
121.10216	0.8
124.65626	0.8
133.10211	1.0
134.06032	0.7
134.51755	0.7
146.06070	2.1
159.09242	0.9
174.05544	4.5
192.06610	3.4
195.09261	1.8
196.09892	1.1
198.09210	0.9
202.05016	11.9
209.10851	1.8
210.11691	1.1
219.09254	1.0
220.06108	1.6
221.10727	1.6
222.11581	1.6
223.12312	1.2
233.10886	1.8
234.07632	14.5
235.08551	0.7
235.12411	2.0
236.15068	0.8
237.10252	1.2
247.12329	1.3
249.10370	1.1
251.11894	0.8
260.11938	1.0
262.13501	1.3
272.12018	1.1
274.13538	3.0
284.11865	1.0
285.12759	0.9
286.13394	4.1
287.14032	1.5
288.15039	2.8
298.13748	1.0
300.11700	1.2
300.15063	4.8
302.16544	7.1
313.12082	0.9
314.13046	1.1
314.16403	0.9
316.18231	2.3
326.12772	1.3
328.14789	3.7
328.18063	1.0
330.16061	1.6
332.62189	0.8
340.14844	1.4
342.16165	1.6
354.15994	1.0
356.17514	1.3
374.18472	0.9
375.16156	1.1
383.12921	1.2
389.17429	1.3
390.18930	0.9
401.17810	1.7
402.18280	6.1
403.19510	4.3
404.20102	1.3
405.21390	1.0
407.22308	1.6
413.17758	0.8
414.18625	1.8
415.19702	3.7
416.20108	5.4
417.21069	5.1
418.21469	2.9
419.22543	1.4
428.20264	1.0
429.21051	2.7
430.21664	5.9
431.22662	2.6
432.15988	1.0
434.17722	0.8
435.21902	1.5
443.18750	1.2
444.19324	1.3
445.20233	3.2
447.22098	2.4
448.18997	0.8
457.20291	1.6
459.21909	3.0
461.19839	1.2
463.21625	1.5
468.19574	0.8
471.22180	1.1
473.19626	1.3
474.20886	0.8
475.17233	1.0
486.21045	0.9
487.21323	2.9
488.22321	1.3
489.19073	5.2
490.19525	1.6
491.20090	6.0
493.18750	1.7
494.20688	1.2
499.21817	0.8
501.23114	5.2
503.20950	1.4
504.43152	0.9
505.22394	1.5
507.20355	8.7
508.21347	1.1
517.22290	1.6
518.23212	0.9
519.24030	1.1
521.21814	9.2
522.21332	0.9
529.22217	1.4
531.23944	2.3
533.25397	2.5
535.23389	3.1
547.19745	0.9
549.21796	2.6
559.23486	8.4
561.25391	9.3
563.22778	9.8
564.23828	8.7
576.24536	1.2
577.24469	3.0
578.24957	1.1
579.22687	1.5
587.22540	1.1
591.25952	2.9
593.27612	2.4
594.24847	2.0
605.24243	4.8
607.22186	1.0
619.25568	37.4
620.25970	5.4
622.24457	4.9
636.25391	1.3
637.26617	58.3
638.26904	1.6
651.28186	100.0
652.28717	4.0
669.28680	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.4571
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32346	1.9
53.03950	4.8
53.48713	2.0
55.01886	4.2
55.05516	32.3
57.03443	4.5
57.07071	5.9
59.05011	14.1
65.03962	3.9
67.05508	78.7
69.07074	30.8
70.56828	7.1
70.91999	1.9
71.04993	4.2
71.08640	4.5
72.27272	2.3
79.05499	57.6
81.03423	5.9
81.07061	100.0
81.76505	2.5
82.07389	2.5
83.05000	2.9
83.08624	20.4
85.06566	3.6
87.04473	2.6
89.03914	4.9
89.06046	5.6
91.05483	40.6
93.07050	58.0
95.04972	6.1
95.08611	69.2
97.06544	7.4
97.10174	11.6
99.08112	2.5
103.05470	3.9
105.07046	31.0
107.04990	6.1
107.08594	32.7
107.57250	2.3
109.06602	2.4
109.10167	28.8
111.08087	8.7
111.11723	4.2
115.05493	5.3
117.03407	6.7
117.07011	10.9
117.09158	3.5
119.08595	21.3
121.06532	4.1
121.10152	52.4
123.04441	12.6
123.08107	2.4
123.11738	9.8
125.09633	5.5
128.06239	4.3
129.07014	9.3
131.04944	7.3
131.08546	13.8
133.06516	6.5
133.10139	21.1
135.04411	14.0
135.08055	2.4
135.11714	41.1
137.05983	13.7
137.09628	3.3
137.13269	4.3
139.11209	3.6
141.06999	3.3
143.04932	4.7
143.08598	6.1
145.02856	8.3
145.06499	12.7
145.10141	10.6
147.04443	5.0
147.08073	6.6
147.11717	13.4
149.05994	16.1
149.09557	3.9
149.13300	8.4
151.07582	3.1
151.11191	4.6
153.06963	3.6
155.07216	2.5
155.08566	5.0
157.06471	11.1
157.10138	8.3
159.04442	2.6
159.08044	6.6
159.11716	5.8
161.06001	28.2
161.09622	3.8
161.13263	3.5
163.03912	77.8
163.07532	13.9
165.05522	6.6
165.12749	3.0
167.08614	5.8
169.06563	3.8
169.10167	3.6
171.08049	7.2
171.11638	3.0
173.05981	30.3
173.13310	3.6
175.04016	3.2
175.07579	19.4
177.05499	19.1
177.09142	4.4
181.05026	18.2
181.06448	3.3
181.10188	3.1
183.08073	8.3
185.09647	6.8
185.13245	2.2
187.07578	20.5
187.14799	4.0
189.05476	9.1
189.09123	9.3
189.16364	4.4
195.08055	5.1
197.09537	11.3
199.07596	9.5
199.11176	3.0
201.05450	2.4
201.09155	12.2
203.07083	6.5
203.10640	3.9
205.16289	2.1
209.09656	3.5
211.07588	5.2
211.11305	2.9
213.09193	11.7
215.10771	5.7
215.18059	10.9
217.12331	2.6
217.19498	9.9
219.06534	3.3
220.41835	2.1
223.11203	4.3
225.09340	2.8
225.12755	3.5
227.10593	5.2
229.12274	3.1
233.19150	3.9
235.20633	13.8
237.09189	2.6
251.20174	12.2
253.21790	4.3
275.19986	2.7
337.21609	15.4
339.23300	5.5
341.24841	6.9
353.24850	9.7
355.22653	9.8
363.23245	4.2
369.24368	6.0
379.22678	13.0
381.24362	20.7
395.22205	5.2
397.23724	47.4
399.25351	26.9
469.40576	2.9
487.41571	5.8
495.32733	2.4
585.43103	5.9
587.44354	3.9
595.42151	4.8
603.44147	10.7
605.45435	6.5
613.42523	19.5
621.44861	3.7
631.43652	44.1
649.44757	18.0
667.43323	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.4417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	11.5
55.01862	5.9
55.05521	20.5
57.03431	10.0
57.06829	5.0
57.07078	52.7
59.05000	6.0
67.05508	45.8
69.03425	25.0
69.07066	14.9
71.04996	9.9
71.08629	39.3
71.49907	4.0
79.05495	27.2
81.03423	89.4
81.07059	53.7
83.04980	15.5
83.08623	27.6
83.30802	2.8
85.02905	13.5
85.06528	5.2
85.10171	21.1
89.06044	5.4
91.05479	33.7
93.07052	31.5
95.04988	20.3
95.08621	42.4
97.02880	19.7
97.06535	5.5
97.10157	7.6
99.04487	8.4
99.44826	2.7
101.03428	3.0
105.07030	37.1
107.04966	6.6
107.08595	14.1
109.02874	21.2
109.06525	3.3
109.10161	21.5
111.04465	12.1
111.08091	6.6
117.07048	8.9
119.08579	19.2
121.06523	6.0
121.10172	12.7
123.11725	7.2
127.03917	18.2
129.07007	16.4
131.08595	13.1
133.10149	13.2
135.11700	6.3
145.10161	7.6
147.04462	3.6
147.11630	18.8
149.09657	9.1
157.10153	10.6
163.03947	3.8
163.11195	5.3
165.12808	7.3
175.11266	8.1
191.10677	3.5
193.12227	43.7
211.13286	55.0
211.15024	4.6
232.58594	3.0
239.23738	11.5
267.15988	13.6
279.51132	3.4
283.15460	3.9
313.27399	38.1
355.17480	11.6
383.28064	4.7
411.20026	9.6
505.38800	6.2
523.40002	15.0
565.24640	3.6
576.79028	3.0
649.43835	3.7
667.31372	12.4
667.44116	100.0
668.44659	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.5
53.11946	0.4
55.01861	1.0
56.14062	0.3
57.03419	2.0
60.44085	0.3
61.02911	0.9
68.52824	0.3
68.99775	0.9
69.03429	5.8
69.07055	0.6
70.06582	0.5
71.04983	0.3
71.48753	0.4
73.02905	2.5
79.05473	0.5
81.03416	5.1
83.04955	0.7
85.02903	8.5
87.00832	3.1
87.04463	0.5
91.05458	1.1
92.41953	0.4
95.04996	0.4
97.02898	4.0
97.06526	5.1
98.84862	0.4
99.04457	2.0
102.67254	0.4
105.01865	2.1
107.04989	0.4
108.08125	0.5
108.31819	0.4
109.02885	5.5
111.00777	0.6
117.01871	0.4
119.04941	0.6
121.02819	2.0
121.06509	0.5
123.04488	0.5
125.02412	0.4
127.03915	6.9
127.51144	0.3
129.01801	0.7
133.02823	0.5
137.05978	5.2
138.06308	0.6
138.09100	1.4
145.04948	3.2
147.02911	1.0
147.04382	1.3
151.03944	0.4
153.01854	2.7
159.02940	2.9
165.01791	1.3
183.02904	0.5
189.03963	0.5
213.05518	0.8
231.05005	1.4
233.11705	4.4
234.12036	1.2
241.05005	0.5
250.14417	4.8
251.14706	1.2
261.08722	1.6
277.08228	0.7
287.05499	100.0
288.05826	1.9
305.11493	0.6
307.05444	0.5
329.06509	0.8
649.24487	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58080	2.5
53.66454	2.3
55.05516	6.1
57.07074	5.5
58.06596	5.3
59.05006	3.6
67.05495	9.5
69.07067	4.8
71.08625	7.0
71.49420	4.4
72.63493	2.7
79.05486	9.4
81.03432	4.7
81.07053	10.7
88.44262	2.4
91.05483	9.0
93.07039	6.8
95.04961	2.8
95.08613	6.6
97.53423	2.3
99.08128	3.1
105.07017	12.5
107.08628	5.7
109.06536	2.4
109.10182	6.2
111.80490	3.5
113.06010	2.8
117.06977	3.4
119.08595	3.8
121.58884	2.8
143.08551	3.8
157.06419	3.5
220.04652	2.6
233.28023	2.6
236.14948	10.0
342.34439	2.7
385.14172	2.8
390.18378	5.7
391.19418	10.8
398.15067	4.0
405.20767	12.6
417.21381	3.9
419.22516	6.9
420.23041	3.5
428.16376	3.0
433.19928	6.2
435.17874	5.2
447.21982	6.2
449.19812	5.9
450.20392	3.1
457.16745	3.1
461.19922	3.9
463.21457	5.4
464.21774	3.3
465.23035	11.7
473.19662	3.9
477.19208	2.8
479.20898	4.1
487.20978	3.0
493.22162	40.0
501.19522	8.4
505.22922	4.4
515.20966	8.1
516.21802	3.6
519.24396	6.5
521.25525	11.1
533.21942	4.4
537.25000	4.0
547.23480	7.4
551.27130	12.8
565.24628	27.5
575.23169	9.5
576.24243	4.0
579.26080	23.6
580.26813	100.0
589.24176	4.2
591.19269	3.0
607.25531	51.5
635.25055	39.8
636.24591	3.1
639.28687	6.1
649.26569	12.4
666.49475	8.2
667.27612	89.5
667.51257	4.3
668.28308	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	666.5305
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03688	1.2
53.03940	3.2
55.01873	3.5
55.05512	8.5
57.03453	7.8
57.06799	1.9
57.07077	35.2
61.64282	1.3
65.03927	2.0
67.05508	21.8
69.07076	10.1
69.15321	15.7
70.15163	1.3
71.04988	2.9
71.08632	32.3
71.15634	1.5
72.70358	1.3
76.76589	1.4
79.05500	16.8
80.50391	1.5
81.03445	1.6
81.06670	1.5
81.07064	20.7
83.04976	5.0
83.08625	7.5
85.06526	2.3
85.10184	12.4
89.06039	2.3
91.05481	25.9
93.07034	13.5
95.04961	4.3
95.08611	21.8
97.06528	5.2
97.10159	5.2
99.08081	7.6
103.07536	1.7
105.06371	2.5
105.07030	14.5
107.04938	2.0
107.08608	7.5
109.06509	2.1
109.10177	6.8
115.05437	4.1
117.07018	23.0
117.09135	1.5
119.08566	9.9
121.06458	2.1
121.10151	5.1
123.08070	2.5
123.11682	3.3
128.06201	3.5
129.05481	1.8
129.06989	16.7
131.08548	12.9
133.06451	2.8
133.10085	3.3
135.08060	9.3
139.11191	3.3
139.40613	1.5
141.07007	11.3
141.12700	4.0
141.26003	1.4
142.07669	1.7
143.08585	9.4
145.10129	8.4
147.08026	3.5
149.09647	2.1
153.06953	2.2
154.07680	2.1
155.08528	8.6
157.10095	7.4
159.08099	2.1
159.11694	4.7
161.09634	2.4
166.07716	1.9
167.08539	2.5
169.10112	10.8
171.11690	5.4
173.13295	3.0
175.14815	1.9
181.10085	4.1
183.11710	6.1
185.13243	5.9
187.11214	5.7
195.11769	3.3
199.11200	2.3
199.14845	1.9
201.12730	9.5
203.14346	3.1
212.74188	1.5
217.15892	1.9
239.18059	1.6
239.23701	4.1
255.21196	1.9
257.24802	2.6
265.19333	3.8
283.20624	10.4
293.17523	6.9
301.21591	7.6
313.27371	100.0
329.70273	1.4
341.26837	2.2
361.45261	1.5
375.24942	2.7
471.83762	1.4
483.41104	1.7
531.40454	18.6
613.47845	3.7
666.48938	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	666.4944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.3
55.05502	1.5
57.03447	4.7
57.07085	5.3
58.06314	1.4
58.06606	28.8
59.04994	2.1
59.07384	7.8
59.36845	0.7
60.08175	8.0
67.05499	4.3
69.07069	2.1
69.58775	3.5
71.08635	3.1
75.04479	2.8
79.05513	2.2
81.03408	4.0
81.07076	4.0
83.08604	1.8
85.02923	2.3
85.10179	2.5
85.59285	0.7
87.04478	3.0
87.92034	0.8
89.06057	1.4
91.05474	1.3
93.07043	1.1
94.60308	0.7
95.04982	1.9
95.08612	3.0
95.83318	0.7
97.10160	1.8
103.04002	0.7
105.05541	1.0
105.06995	1.1
107.08618	1.3
109.10161	1.8
113.06007	1.8
117.07105	0.9
118.48038	0.8
119.08589	1.5
131.08598	1.0
133.10202	1.0
144.10202	12.7
162.11269	4.5
190.16864	0.9
218.13857	1.3
236.14944	87.6
264.91946	0.7
291.19608	1.7
313.27426	1.5
341.26944	1.2
363.23492	0.9
369.29971	0.8
410.25433	3.6
428.26523	8.2
456.37006	6.4
474.37918	17.8
520.13672	1.1
587.95648	0.8
666.49463	100.0
667.49768	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.5303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	5.0
55.05523	11.2
57.03438	11.3
57.07081	30.7
59.04991	4.0
59.36372	2.1
63.19130	2.9
67.05508	24.8
69.07078	18.1
71.04987	2.1
71.08638	22.4
71.49489	2.8
72.35911	2.2
79.05507	18.3
81.03433	11.0
81.07059	21.6
83.04967	4.1
83.08614	10.3
85.10179	10.9
89.06051	6.2
89.67719	2.8
91.05493	34.9
93.07026	13.8
95.04979	9.5
95.08614	22.5
97.06523	4.5
97.10172	5.6
105.07052	21.2
107.04956	3.1
107.08618	5.7
109.10150	7.7
111.11710	2.5
117.07016	14.7
119.08603	14.1
121.10161	5.4
123.11692	4.1
124.95365	2.3
128.06221	4.6
129.05476	2.6
129.07021	9.3
131.08583	11.5
133.02811	2.7
133.10132	10.1
135.11696	2.6
141.29388	2.2
143.08611	6.7
145.06537	2.6
145.10139	5.4
147.08049	10.0
151.43440	2.4
157.10124	6.5
161.09630	8.3
171.11691	3.1
185.09695	3.6
193.93382	2.4
195.11786	3.3
199.11227	3.2
199.14796	4.2
213.12881	2.3
217.15942	5.3
239.12802	9.8
239.23615	4.5
253.14381	7.1
255.21095	4.0
283.20590	8.4
291.31204	2.7
301.21594	6.2
313.27377	100.0
375.25424	5.9
477.35358	3.3
491.37418	19.4
492.22528	2.3
638.28961	3.0
666.48608	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	666.4943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91143	0.4
55.05486	1.2
57.03437	4.8
57.07078	4.2
58.06602	29.1
59.05004	10.8
59.07381	7.6
60.05293	0.5
60.08168	7.3
61.59646	0.4
62.17341	0.4
67.05169	0.6
67.05504	4.2
69.07040	1.6
70.67329	1.0
71.04975	0.6
71.08633	2.6
73.02889	0.9
75.04475	2.5
79.05489	2.3
81.07056	3.8
83.04967	0.6
83.08591	1.5
84.08118	1.2
85.02868	1.2
85.10152	1.3
87.04480	3.2
89.05994	1.3
91.05499	2.2
93.05488	0.5
93.07001	1.3
95.04938	0.7
95.08598	2.9
97.06516	0.8
97.10130	0.6
102.05534	1.1
103.03919	0.6
105.05450	0.4
105.07001	2.2
107.08642	0.6
109.10156	2.4
113.05939	1.2
115.07584	0.5
117.09126	2.8
118.30795	0.4
119.08598	0.6
121.10102	0.5
123.11600	0.4
130.08653	0.6
131.07045	1.2
131.08521	0.8
133.10092	0.7
144.10207	14.2
162.11284	4.6
167.65771	0.4
175.13298	1.4
218.13857	0.8
229.14368	0.9
233.17471	0.6
236.14935	72.0
237.15273	0.7
241.16777	0.5
270.35513	0.5
313.27396	1.8
315.28009	0.7
332.77884	0.5
410.25360	4.0
412.37930	0.7
428.26483	9.6
456.36823	5.3
469.37952	0.8
474.37891	10.8
474.44226	0.7
515.56360	0.6
666.49408	100.0
667.49689	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	666.3698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.6
55.01870	3.4
55.05512	9.4
57.03443	7.3
57.07089	4.3
61.02932	30.3
65.03940	2.1
67.05509	60.5
69.03427	3.0
69.07076	9.8
70.40659	5.8
71.04992	4.4
73.02919	10.4
77.03936	2.4
79.05501	50.3
81.03419	4.5
81.06590	3.7
81.07061	58.2
83.04965	4.5
83.08624	7.4
85.02914	36.1
85.06547	7.8
91.03968	23.0
91.05490	26.5
93.07050	58.4
95.04969	3.8
95.08615	46.1
97.02890	14.3
97.06522	5.3
99.08109	6.7
105.07046	18.8
107.08600	34.9
109.06507	2.8
109.10159	28.9
111.08065	2.0
113.09644	5.1
115.41115	1.9
117.07046	11.3
119.08597	17.4
121.10152	44.9
121.11037	2.7
123.08067	2.0
123.11716	22.6
125.09664	3.6
127.03934	12.4
131.08569	23.9
132.73303	1.8
133.10162	23.1
135.11708	46.8
137.09641	4.2
137.13272	5.9
145.04991	16.9
145.10126	20.8
147.11687	15.1
149.09630	3.1
149.13254	28.3
151.11221	5.6
159.11699	20.7
161.13289	3.0
163.06038	21.0
163.11183	3.3
171.11732	2.6
173.13268	19.6
175.14836	3.5
177.12724	4.1
187.14906	8.5
189.16254	2.0
191.14491	2.4
205.19562	6.3
215.17969	75.0
233.19025	100.0
251.20047	2.8
307.22687	31.1
325.23773	36.5
396.38962	2.0
417.97229	1.8
469.27814	4.8
476.51953	2.1
664.14417	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.4619
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64930	0.8
55.01871	1.1
55.05506	7.2
57.03199	1.1
57.03443	13.4
57.07082	21.6
58.06614	3.7
59.04758	0.7
59.05010	8.1
60.08154	2.1
61.02927	5.2
65.03944	1.6
67.05508	64.6
69.03435	2.1
69.07062	6.2
70.13694	3.0
71.04987	2.9
71.08634	14.9
73.02928	2.1
75.04518	0.9
79.05501	3.8
81.07059	15.6
83.08617	9.8
85.02904	4.1
85.06541	2.5
85.10185	7.8
87.04450	2.0
89.06039	2.9
91.03946	1.5
91.05466	5.1
93.07053	4.0
95.08609	16.8
97.02892	2.5
97.10165	2.7
99.08085	0.9
99.11728	0.8
101.06013	1.6
103.07558	0.9
105.07045	3.2
107.08564	2.0
109.10159	60.9
111.08097	2.9
117.09131	1.7
119.08604	3.8
121.10201	1.1
123.11693	2.6
131.08559	1.2
133.08678	1.1
133.10147	1.1
137.00873	0.7
137.09624	3.2
137.13251	1.3
144.10179	1.7
145.10098	1.4
147.11667	1.1
155.10660	6.6
157.10106	0.9
159.11722	1.3
171.11768	1.0
173.11743	16.4
189.80360	0.7
213.75940	0.9
221.38652	0.7
229.14363	100.0
230.14885	0.8
236.14929	11.3
238.89354	0.7
239.23636	1.5
257.24603	0.9
299.26913	0.9
313.27374	80.9
314.27557	1.5
426.24829	1.3
467.37347	62.4
468.37613	1.6
474.37946	1.6
553.87183	0.8
628.48193	0.7
664.37695	1.2
664.47864	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	666.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17371	0.9
55.01858	1.8
67.05500	1.5
69.03424	0.8
69.07076	9.4
69.62846	0.7
70.31321	2.0
70.31702	1.6
74.10127	0.8
77.18414	0.7
79.05494	8.4
86.33251	0.8
86.95984	0.7
91.05484	8.6
95.04993	1.0
97.06534	91.3
98.20882	0.8
109.06470	0.9
111.63063	0.8
119.04941	7.0
120.08141	1.3
125.35030	0.8
127.08672	1.0
135.04420	1.2
137.05988	61.6
145.06076	2.1
147.04388	4.3
149.06017	1.8
161.05998	1.0
187.91225	0.8
189.09094	8.5
215.10762	1.0
233.11736	100.0
234.12071	0.8
250.14395	90.3
251.14777	1.7
269.11945	0.7
273.74924	0.9
288.17072	0.9
475.37671	0.8
569.32098	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.4411
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02348	1.9
53.03931	6.5
55.01846	2.0
55.05513	15.6
56.05020	2.1
57.03445	9.8
57.07079	19.1
57.30021	1.8
59.05013	13.5
65.03939	3.2
67.05508	67.1
69.03428	2.7
69.07076	13.6
69.39885	13.3
71.04982	5.9
71.08642	12.8
75.04470	7.7
79.05504	28.1
81.03409	3.3
81.07061	67.5
81.83833	1.8
83.04966	2.4
83.08620	10.6
84.04499	2.0
85.06525	5.8
85.10172	6.2
87.04458	3.7
89.06040	3.0
91.05485	33.2
92.06258	2.0
93.06487	3.5
93.07051	47.7
94.07825	3.4
95.04969	17.2
95.08614	100.0
97.02888	3.1
97.06522	5.1
97.10152	4.8
101.05988	1.8
103.05501	3.3
105.04527	2.5
105.07038	86.3
106.07805	1.6
107.08607	47.7
108.09418	3.4
109.06527	8.4
109.10162	59.0
111.08084	4.5
115.05483	3.6
117.07034	11.3
117.09217	2.2
119.08586	43.1
121.06505	8.5
121.10142	16.1
123.08074	7.0
123.11727	3.7
125.09653	8.7
128.06235	3.0
129.07001	7.7
131.08585	23.2
133.06422	2.0
133.10136	26.3
135.08047	4.9
135.11726	12.2
136.08856	8.5
137.09659	9.1
137.13226	4.4
139.07501	3.5
139.11226	9.7
141.06989	4.8
142.07800	9.4
143.08583	21.8
144.09354	2.6
145.10126	26.2
147.11702	16.1
149.09604	7.5
149.13246	4.5
151.11247	2.7
155.08542	6.4
155.10675	4.3
156.09395	2.8
157.10141	40.0
159.08110	2.0
159.11707	23.7
161.09590	3.3
161.13260	11.5
163.11162	3.1
163.14760	3.5
169.10118	5.5
171.11708	16.5
173.09578	3.0
173.11729	9.2
173.13264	15.0
175.11182	3.1
175.14902	2.7
177.12820	2.3
179.14339	1.8
183.11716	6.4
185.13252	5.9
187.11223	3.7
187.14792	6.8
189.16351	5.1
197.13274	5.0
199.14873	16.2
201.16380	8.1
203.14229	2.4
203.17966	2.1
205.15776	2.2
207.17429	3.3
213.16364	17.3
214.17143	4.0
215.14449	2.2
215.17891	9.2
217.15836	7.2
225.16394	4.4
229.14363	49.8
231.17506	3.0
233.15422	3.8
234.18561	2.5
236.14793	4.4
241.15817	2.6
243.17459	27.3
260.20279	2.3
261.18430	5.5
278.21292	11.2
313.27383	55.1
349.18530	1.9
426.24481	2.0
467.37372	51.5
481.80145	1.7
623.09259	2.0
664.47192	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	664.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.6
52.11571	0.3
52.13709	0.4
53.03957	2.2
55.01855	0.9
55.05494	1.0
55.05948	0.4
57.03164	0.4
57.03435	6.6
59.99118	2.4
61.02922	0.4
65.03934	1.3
67.05508	8.0
68.99780	1.4
69.03438	3.5
69.60972	2.2
71.04977	1.2
72.08149	0.7
73.02919	0.6
73.06187	0.3
73.06554	3.9
77.03917	0.8
79.01838	0.4
79.05493	6.4
81.03418	5.1
81.07036	1.6
85.02913	4.1
86.06054	2.0
87.04391	0.4
89.02407	0.5
91.05488	1.9
93.07073	0.5
95.04972	23.2
97.02899	11.4
98.20841	0.7
99.04465	1.6
102.00099	0.4
102.99692	0.5
103.03949	0.4
105.04485	1.1
105.06992	0.4
106.06560	28.2
107.01331	3.0
107.04955	5.5
109.02880	5.7
109.06517	4.3
113.06045	0.4
115.08694	0.7
119.04953	0.4
119.86264	0.3
125.02380	0.5
127.03925	7.3
132.04793	7.7
134.06012	1.7
135.04420	36.0
137.02365	1.2
137.05988	3.1
140.27158	0.3
145.05130	3.1
153.05492	5.0
157.13377	2.4
163.03900	12.3
163.82130	0.3
175.05428	0.7
181.04961	100.0
182.05331	0.6
191.11838	0.9
197.04483	0.7
199.05991	4.2
208.05399	2.1
217.10094	2.8
223.06139	0.5
241.98042	0.4
250.09995	1.6
253.07042	1.2
261.07648	1.0
279.08627	9.9
280.11127	1.5
285.08664	0.5
289.06995	0.4
297.09760	0.8
307.08118	7.2
325.09192	22.4
326.09695	0.4
343.10223	3.1
379.15479	2.9
419.05569	0.4
456.13391	0.6
464.01877	0.4
484.21164	2.0
559.19672	2.9
635.33862	0.4
664.25061	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.4536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.6
57.07078	51.8
59.04969	2.1
66.71655	0.5
69.07040	0.6
70.09401	2.1
71.08601	0.8
77.03581	0.7
79.05444	0.7
87.04437	1.6
89.06006	1.1
91.05483	7.5
93.07012	0.6
95.04939	1.0
105.06988	2.2
117.06978	0.9
119.08547	1.2
132.09421	0.8
143.08568	0.7
147.11687	6.7
152.06183	0.9
152.74220	0.5
153.07019	3.7
175.01447	0.7
212.48628	0.6
228.09381	1.3
229.10089	1.3
233.03592	5.3
251.04691	18.8
307.10895	1.7
327.07813	100.0
328.08154	2.0
383.14069	75.4
384.14328	1.8
439.20343	65.4
440.20801	1.3
495.26605	79.6
496.26736	2.2
551.32849	99.6
552.33215	3.0
592.01654	0.7
607.39099	65.9
608.39417	2.5
663.45349	13.2
664.45605	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	1.7
51.02361	1.1
53.03958	7.2
55.01867	4.1
55.05514	17.6
57.03441	10.1
57.07075	3.2
59.04976	4.1
61.02916	1.9
65.03928	4.0
67.05508	55.4
69.03436	15.0
69.07076	16.2
69.46078	9.4
71.04987	4.8
73.02910	3.1
73.06596	1.5
75.04465	4.1
79.05498	46.9
81.02986	2.2
81.03423	23.0
81.07063	57.2
83.04989	18.7
83.08619	12.8
85.02906	7.1
85.06537	3.1
85.84047	1.1
87.04462	5.6
89.06040	14.1
91.05487	34.8
93.06495	2.8
93.07055	44.7
95.04980	9.1
95.08615	29.7
97.02888	10.3
97.06525	8.8
97.10172	3.2
99.04460	3.9
99.08073	3.0
103.05477	4.8
105.04517	2.1
105.07040	100.0
106.07382	14.5
107.04952	3.0
107.07831	1.6
107.08606	22.5
109.02906	6.0
109.06488	4.6
109.10149	14.8
111.04444	4.1
111.08084	4.0
113.06010	1.2
115.05457	2.4
117.07024	11.9
119.04920	1.4
119.08599	20.2
121.06493	4.0
121.10147	20.3
123.08035	4.0
123.11693	5.0
127.03917	4.2
128.06221	2.2
129.05490	8.8
129.07008	7.0
131.08597	14.8
133.06525	2.7
133.08620	5.6
133.10143	13.2
135.08037	5.1
135.11700	14.4
137.09619	2.2
141.06992	2.4
143.08551	5.4
145.06509	2.8
145.10120	10.5
147.08087	4.7
147.11711	10.6
149.09634	3.6
149.13258	12.0
155.08528	3.0
157.10139	3.8
159.08089	2.0
159.11690	13.4
161.09604	1.7
161.13260	4.6
163.11182	1.8
163.14749	1.4
165.12770	3.1
167.08546	2.3
167.10703	1.5
169.10091	3.4
171.11699	5.9
173.09587	1.7
173.13231	4.8
175.11214	2.6
177.11339	1.7
177.12785	4.6
179.14359	1.7
181.10075	1.9
183.11688	4.3
184.07355	2.0
185.09598	1.4
185.13272	3.8
189.12741	2.4
193.10158	1.8
195.11938	1.3
195.13788	6.1
197.13196	1.8
201.12788	2.4
209.13318	1.9
215.17952	5.1
219.13977	1.6
225.12712	1.5
227.18051	1.5
229.14366	5.9
230.14656	2.3
231.17496	2.1
233.18982	3.8
249.18607	1.9
251.14107	1.6
251.20097	1.5
253.19658	1.4
267.15833	3.5
269.17551	14.0
273.18457	1.7
293.17633	1.3
307.22696	18.6
309.24304	3.7
311.25879	2.9
312.26212	4.3
313.21814	1.4
341.21194	2.4
359.22238	1.9
409.31149	2.2
413.21597	3.8
433.25787	2.4
451.27005	2.7
466.36124	3.8
501.35776	33.9
519.36926	1.7
570.46094	1.7
609.38037	2.0
627.38409	2.8
645.40259	6.7
663.46069	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	1.7
51.02361	1.1
53.03958	7.2
55.01867	4.1
55.05514	17.6
57.03441	10.1
57.07075	3.2
59.04976	4.1
61.02916	1.9
65.03928	4.0
67.05508	55.4
69.03436	15.0
69.07076	16.2
69.46078	9.4
71.04987	4.8
73.02910	3.1
73.06596	1.5
75.04465	4.1
79.05498	46.9
81.02986	2.2
81.03423	23.0
81.07063	57.2
83.04989	18.7
83.08619	12.8
85.02906	7.1
85.06537	3.1
85.84047	1.1
87.04462	5.6
89.06040	14.1
91.05487	34.8
93.06495	2.8
93.07055	44.7
95.04980	9.1
95.08615	29.7
97.02888	10.3
97.06525	8.8
97.10172	3.2
99.04460	3.9
99.08073	3.0
103.05477	4.8
105.04517	2.1
105.07040	100.0
106.07382	14.5
107.04952	3.0
107.07831	1.6
107.08606	22.5
109.02906	6.0
109.06488	4.6
109.10149	14.8
111.04444	4.1
111.08084	4.0
113.06010	1.2
115.05457	2.4
117.07024	11.9
119.04920	1.4
119.08599	20.2
121.06493	4.0
121.10147	20.3
123.08035	4.0
123.11693	5.0
127.03917	4.2
128.06221	2.2
129.05490	8.8
129.07008	7.0
131.08597	14.8
133.06525	2.7
133.08620	5.6
133.10143	13.2
135.08037	5.1
135.11700	14.4
137.09619	2.2
141.06992	2.4
143.08551	5.4
145.06509	2.8
145.10120	10.5
147.08087	4.7
147.11711	10.6
149.09634	3.6
149.13258	12.0
155.08528	3.0
157.10139	3.8
159.08089	2.0
159.11690	13.4
161.09604	1.7
161.13260	4.6
163.11182	1.8
163.14749	1.4
165.12770	3.1
167.08546	2.3
167.10703	1.5
169.10091	3.4
171.11699	5.9
173.09587	1.7
173.13231	4.8
175.11214	2.6
177.11339	1.7
177.12785	4.6
179.14359	1.7
181.10075	1.9
183.11688	4.3
184.07355	2.0
185.09598	1.4
185.13272	3.8
189.12741	2.4
193.10158	1.8
195.11938	1.3
195.13788	6.1
197.13196	1.8
201.12788	2.4
209.13318	1.9
215.17952	5.1
219.13977	1.6
225.12712	1.5
227.18051	1.5
229.14366	5.9
230.14656	2.3
231.17496	2.1
233.18982	3.8
249.18607	1.9
251.14107	1.6
251.20097	1.5
253.19658	1.4
267.15833	3.5
269.17551	14.0
273.18457	1.7
293.17633	1.3
307.22696	18.6
309.24304	3.7
311.25879	2.9
312.26212	4.3
313.21814	1.4
341.21194	2.4
359.22238	1.9
409.31149	2.2
413.21597	3.8
433.25787	2.4
451.27005	2.7
466.36124	3.8
501.35776	33.9
519.36926	1.7
570.46094	1.7
609.38037	2.0
627.38409	2.8
645.40259	6.7
663.46069	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87513	0.3
53.03936	0.6
55.01871	0.7
55.05505	1.4
57.03443	1.9
59.05011	0.5
60.80281	0.3
61.02932	6.1
67.05505	6.6
68.05847	0.3
69.03428	2.6
69.07059	1.4
71.04999	0.6
73.02917	4.5
75.04501	0.5
79.05492	4.9
81.03438	2.0
81.07056	5.0
83.05004	0.8
83.08639	0.8
84.04513	0.6
85.02904	4.5
87.04444	0.4
91.03962	2.8
91.05479	3.0
93.07044	4.5
95.04972	0.8
95.08598	2.5
97.02894	4.1
97.06516	0.6
99.04449	0.9
101.02372	1.8
103.03976	0.6
105.07050	2.5
105.80228	0.3
107.08604	1.4
109.02879	0.9
109.06523	0.5
109.10157	3.9
117.07021	0.9
117.08289	0.3
119.08580	1.9
121.10139	2.2
127.03899	1.8
131.08586	1.0
133.10149	1.0
135.11714	1.0
137.09631	0.4
145.10121	0.7
147.11758	0.5
155.10704	0.5
159.11743	0.7
171.11688	0.4
173.11803	1.0
179.07056	0.4
184.07355	0.8
185.04167	0.5
195.09952	0.8
202.80630	0.4
203.05214	0.5
221.15414	0.4
224.59819	0.3
229.54395	0.4
243.08307	1.5
273.28949	0.4
298.08414	0.3
307.22717	0.8
331.09769	0.3
380.58856	0.3
385.14563	0.3
399.22766	0.3
413.17953	3.2
488.82120	0.4
491.26141	8.7
549.56927	0.4
663.37134	100.0
664.37500	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	663.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77117	0.4
53.03937	1.0
54.29325	0.4
55.01854	0.6
55.05496	1.5
56.35502	0.5
56.53605	0.4
57.03442	2.3
57.07079	3.1
59.05003	0.7
61.02923	4.8
67.05509	5.8
69.03439	2.9
69.07070	1.2
73.02933	2.8
79.05499	4.8
81.03429	2.4
81.06593	0.9
81.07058	15.7
83.04978	0.9
83.08617	1.2
85.02911	5.0
87.04472	23.7
88.04796	3.0
89.06023	0.9
91.03964	2.6
91.05491	3.0
93.07038	3.9
95.04961	1.1
95.08608	3.1
97.02896	4.0
97.10180	0.5
99.04454	1.0
99.08112	0.7
101.02369	1.7
103.03906	0.5
105.07024	2.6
107.08562	2.5
109.02910	1.0
109.06485	0.8
109.10176	1.3
111.23496	0.4
117.07019	1.4
119.08594	1.2
120.19579	0.4
121.06512	1.6
121.10152	1.9
122.06876	0.5
123.08044	0.7
123.11698	0.9
126.51080	0.4
127.03894	2.0
127.07555	1.8
129.05519	0.6
131.08591	1.2
133.08569	0.5
133.10129	1.4
135.08049	0.6
135.11607	0.5
145.08585	0.6
145.10110	0.7
147.08026	0.6
149.13263	0.8
157.10135	0.6
159.11749	1.1
165.09097	0.6
167.06845	0.4
184.07335	0.6
201.11232	0.9
219.12404	0.6
236.14989	1.0
243.08426	1.1
277.21817	1.2
278.22079	0.7
303.06842	0.6
348.96875	0.5
385.14645	8.0
495.92191	0.5
519.29376	5.3
663.37061	100.0
664.37402	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	662.297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07064	6.4
57.55412	3.2
59.91234	3.3
65.87226	3.7
67.03983	3.2
70.74553	7.9
76.50507	3.0
87.04464	41.0
93.07076	4.1
121.20694	3.3
158.25401	3.1
160.34862	3.2
162.66080	3.2
163.65527	3.1
166.92297	3.1
245.03333	4.2
291.96713	3.2
403.19168	4.6
431.18243	4.5
433.23907	9.1
444.19452	5.3
445.20047	5.9
446.16959	5.0
447.18042	4.9
459.21722	57.4
460.22400	10.1
461.23584	9.9
475.21289	14.1
487.25058	6.5
519.23840	6.9
531.23877	4.7
533.21448	4.1
546.25903	5.1
547.27155	30.0
593.23834	7.4
605.26544	5.9
606.28406	100.0
607.27893	7.5
622.27893	55.8
662.29517	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	661.4519
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.6
55.01879	1.8
55.05504	4.1
57.03442	1.2
57.07076	19.9
58.06579	1.1
59.04995	4.7
65.03951	1.3
66.99662	0.9
67.05508	8.9
69.03426	4.5
69.07071	4.5
69.14430	10.4
71.04987	1.6
71.08634	35.6
72.08970	1.1
72.43570	0.9
73.02898	1.1
73.06550	2.8
79.05500	11.5
79.18340	0.9
81.03425	7.4
81.07057	11.7
83.04979	3.1
83.08617	2.2
85.02907	2.9
85.10185	17.5
87.04473	21.8
89.06033	100.0
91.05485	23.1
93.07041	15.1
93.26582	1.0
95.04964	4.2
95.08606	8.0
97.02885	2.6
97.06537	2.9
97.10195	2.0
103.05472	2.7
105.07029	11.0
107.04959	4.5
107.07076	1.3
107.08596	7.7
109.02898	1.7
109.06528	1.4
109.10139	4.5
117.07034	4.7
117.09141	2.4
119.04927	1.8
119.08574	14.1
121.06509	22.2
121.10128	4.9
123.08070	1.7
123.11698	1.2
127.03875	1.2
128.06197	0.9
128.27777	1.0
129.07025	2.1
130.08600	1.9
131.07051	5.3
131.08549	4.7
133.08607	53.9
133.10161	3.5
135.08064	6.7
135.11697	3.8
137.05957	1.5
137.09659	2.4
145.06456	1.2
145.10141	3.0
147.08041	8.8
147.11703	2.3
149.09607	7.0
149.13290	1.4
150.06775	2.6
152.15810	1.1
157.10135	2.6
161.09711	1.3
161.13312	1.0
163.07469	1.4
163.11192	3.4
164.08368	1.4
165.09094	11.2
173.09557	1.8
173.13260	1.5
175.09624	3.3
175.11127	1.9
177.07889	1.7
177.11232	12.9
183.10199	2.2
183.11688	1.7
184.07362	1.5
185.13432	1.3
187.10983	1.3
191.10677	3.6
193.12202	2.8
199.09789	1.4
207.13806	1.2
209.11746	3.7
211.13249	2.3
235.13373	1.5
236.14954	3.4
247.20589	13.9
267.69836	1.1
273.22101	2.1
291.23227	22.6
317.24600	1.4
335.25653	3.1
383.13147	1.4
465.84778	1.0
661.35474	10.3
661.45941	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	2.7
53.03949	12.6
53.78941	2.6
55.01867	8.0
55.05514	31.1
57.03445	7.6
57.07069	3.3
59.05001	4.8
65.03945	6.7
67.05511	59.3
68.89826	2.2
69.03432	33.4
69.07059	15.3
69.20837	22.0
70.33817	2.4
71.04998	10.8
71.08633	3.1
75.04492	2.9
77.03928	3.2
79.05499	86.7
81.03422	100.0
81.07063	57.8
83.04980	18.9
83.08620	23.7
85.02905	21.3
85.06570	3.5
86.36842	2.1
87.04487	3.7
89.06052	4.8
91.05485	65.2
93.03324	2.1
93.07047	80.4
94.42867	2.6
94.97420	2.3
95.04974	38.9
95.08614	31.7
97.02908	16.1
97.06544	11.1
97.10172	6.7
99.04466	8.3
99.08081	4.4
103.05499	3.8
105.04514	2.9
105.07037	55.4
107.04959	9.6
107.08592	25.8
109.02888	11.4
109.06520	6.9
109.10181	11.8
111.04454	15.6
111.08102	12.9
113.05999	3.4
115.05482	5.1
117.07018	15.4
119.08594	35.3
121.06534	6.7
121.10154	42.0
123.08076	5.5
123.11739	4.8
125.09631	4.1
127.03930	10.6
129.07022	16.6
131.08582	27.5
133.06538	6.6
133.08589	3.7
133.10136	21.1
135.08080	3.6
135.11700	15.1
135.86188	2.7
137.06007	3.9
137.09618	4.7
141.07045	3.6
142.07738	4.1
143.08534	8.6
145.06485	3.1
145.10112	15.3
147.08064	5.1
147.11696	19.7
149.09630	10.6
151.11179	3.6
153.12735	2.5
155.08643	4.1
157.10144	13.6
159.11729	10.3
161.09583	4.4
163.11198	9.8
169.10149	2.8
171.11642	4.0
173.09671	6.2
173.13306	6.4
175.11159	17.6
191.10712	5.6
193.12260	57.0
211.13284	68.3
215.17961	6.6
227.12691	5.6
229.14413	2.8
231.17523	2.9
233.19034	5.2
267.15808	4.4
285.17090	8.1
289.21793	3.9
307.22885	5.3
319.15454	2.6
323.20084	4.4
337.16388	4.0
341.21069	6.5
355.17493	10.0
359.22015	4.9
411.19928	4.7
433.25955	4.5
499.34351	2.5
517.35022	5.9
625.37030	4.5
643.37927	6.5
661.39307	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	661.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
55.05507	1.4
57.03429	2.7
59.04992	2.3
61.02920	3.3
67.05513	3.9
69.03443	2.0
69.07094	1.6
71.49492	1.7
73.02917	1.8
73.71877	0.8
75.04488	0.9
79.05490	6.5
81.03420	4.0
81.07054	4.0
83.04974	2.2
85.02923	3.8
85.06558	1.2
89.06023	1.4
91.03961	2.4
91.05484	9.9
93.07024	4.9
95.04964	2.3
95.08613	2.6
97.02907	3.0
97.06544	1.3
99.10105	1.0
101.02441	1.2
105.07035	7.1
107.08611	2.8
107.15763	0.8
109.02909	1.1
109.06523	1.2
109.10146	1.0
117.07030	2.1
119.08572	4.9
121.10175	1.8
127.03916	1.0
131.08607	1.8
133.10153	4.1
135.08064	1.7
135.11717	1.0
143.08591	1.5
145.10094	1.3
147.08148	1.4
147.11745	1.1
149.09644	2.3
149.68530	1.0
161.09619	1.3
169.10152	0.9
171.11774	1.0
243.08426	1.8
356.23056	0.9
383.86929	0.9
437.17691	7.9
465.21051	3.8
661.31946	100.0
662.32074	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04890	0.6
67.05489	1.4
69.03427	0.9
69.42344	5.3
79.05502	1.0
81.07040	1.4
84.29417	0.7
91.05489	1.9
93.07042	1.4
97.02870	0.8
119.08559	1.5
125.97775	0.7
133.06534	0.8
145.10132	1.0
183.49799	0.6
201.12688	0.6
201.53801	0.8
374.14868	1.4
387.14581	1.9
388.15659	1.9
389.16324	0.8
392.16171	2.0
400.15894	0.8
401.16309	6.9
404.18793	1.5
405.15656	1.3
412.15179	0.8
413.16272	1.2
415.13632	2.7
415.18475	7.0
416.14410	6.1
417.19547	1.5
418.17001	0.9
419.17297	3.0
425.16263	1.3
426.16934	0.8
428.14944	2.2
429.15631	12.3
430.16043	5.1
431.17282	31.2
432.18158	1.7
433.18903	1.3
439.14307	0.9
440.18970	1.7
442.12308	1.6
443.12894	5.5
443.17264	10.4
444.18591	10.3
445.14301	1.2
445.19489	1.5
447.16672	1.8
453.15604	2.6
454.16690	1.8
455.16986	1.2
456.14297	2.2
457.14993	38.2
458.15250	3.8
459.16785	1.0
461.18442	0.9
462.18814	1.5
467.17316	2.0
468.18381	5.5
469.18793	2.5
471.16589	14.5
472.17493	19.4
473.13638	0.9
473.18484	2.2
474.14938	2.0
475.20245	6.9
481.14972	1.2
482.15735	3.5
483.16873	2.3
485.14426	2.0
488.17026	3.1
489.17743	3.9
494.15836	0.8
495.16757	1.3
496.17517	3.8
497.18301	9.4
499.15277	3.6
500.16858	1.9
503.19717	3.3
504.20059	2.3
513.17810	1.7
514.18591	2.2
515.19708	1.0
517.20685	3.5
524.16833	5.2
528.20050	2.8
529.21075	1.0
530.21484	0.8
531.22046	4.0
547.21722	0.8
553.21454	1.0
555.18793	1.2
556.19647	4.8
557.20313	0.9
558.21136	5.5
559.22113	1.4
560.22784	2.4
569.20160	4.2
586.20642	1.6
587.21234	2.7
590.23712	6.2
597.19800	7.3
601.22876	1.3
618.23248	53.5
619.23962	35.0
620.24127	2.0
629.22461	42.4
630.22174	1.6
661.24945	100.0
662.25262	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	661.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	0.5
55.89299	0.4
59.04954	0.4
67.05502	0.8
69.03407	0.7
71.50053	0.8
72.79309	0.4
79.05454	0.8
81.03396	1.4
81.07018	1.0
85.02887	0.7
91.05450	1.1
93.07045	1.0
93.95717	0.4
95.08598	0.4
96.72355	0.4
97.02856	0.5
97.06487	0.6
105.07031	0.7
106.02329	0.6
119.08575	0.8
127.04025	0.5
239.64885	0.4
263.77411	0.4
387.14719	1.1
388.16086	1.1
389.17114	0.7
401.16263	2.6
404.19107	0.5
406.17905	0.8
414.13382	0.9
415.13916	1.8
415.17993	1.6
416.14630	1.5
416.19315	0.9
417.15790	0.9
417.19275	0.7
419.17480	1.5
420.15286	0.6
428.14886	1.4
429.15536	10.2
429.20465	0.8
430.16461	4.4
431.17267	9.8
432.17978	1.4
434.19162	0.6
435.18466	0.8
439.13785	0.6
441.15549	1.9
442.16452	1.9
443.17920	6.0
444.18182	11.2
445.19406	3.2
447.16736	1.0
453.15836	1.4
454.16547	4.5
455.17258	3.1
456.18832	3.2
457.14490	23.5
458.15494	1.7
459.16479	1.1
461.18402	1.0
464.18097	0.6
467.17334	1.6
468.18082	1.7
469.19012	5.3
470.16104	1.1
471.16312	10.7
472.17444	32.2
473.18201	4.7
474.20059	0.6
474.38474	0.5
475.20200	0.8
481.14636	0.6
482.15286	2.2
483.16531	1.3
484.17911	1.0
485.18903	1.5
486.15140	0.6
488.16672	0.7
489.17819	0.7
490.18817	0.8
493.45959	0.5
496.17496	1.3
497.18369	5.8
498.18549	0.7
499.20184	0.7
500.16788	2.6
501.17612	2.8
503.19751	1.4
513.18457	0.9
514.18549	0.7
515.19073	2.7
516.20166	2.0
517.20587	1.0
524.17084	1.4
527.19348	0.8
528.20129	0.9
530.21649	1.8
531.22571	11.5
532.22156	0.5
541.20770	0.5
549.47949	0.5
556.19537	4.3
557.20319	0.6
558.20892	1.4
559.21930	59.1
560.22064	4.0
569.20355	0.7
587.21356	4.8
590.23792	1.4
597.20374	1.5
618.23285	9.3
619.24030	100.0
620.24127	6.1
629.22388	7.3
643.24213	1.2
661.25067	89.5
662.25262	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	661.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11384	1.5
67.28989	1.5
68.72189	1.5
71.47878	1.8
81.03443	1.7
82.99841	1.8
93.79272	1.7
94.93004	2.9
94.99815	1.7
97.02899	3.7
101.00877	17.0
109.02892	2.0
113.00861	4.1
117.03365	2.1
119.01912	21.0
123.94810	1.9
127.02417	5.8
129.03958	1.8
130.90930	1.5
131.01921	14.6
135.04395	6.0
139.02393	2.3
143.01894	29.0
145.03616	11.0
149.02925	2.0
155.01898	44.3
157.03493	8.4
161.02977	17.1
163.03905	98.0
167.01958	10.6
169.03470	4.3
171.04985	2.3
173.02974	69.0
179.01840	3.9
185.01202	3.4
185.02954	51.1
187.04504	4.5
197.02960	15.1
199.01073	2.1
199.04480	2.0
203.01917	8.0
203.04015	15.5
209.02928	5.1
212.85316	1.8
215.04054	14.6
217.01787	2.3
221.02965	94.7
227.04005	9.0
229.05591	2.0
239.04031	13.6
245.02896	11.7
245.05098	74.3
247.04544	7.0
256.97946	3.4
257.02887	3.3
257.05121	24.4
261.29880	1.8
263.04016	33.3
263.06262	6.0
265.05588	3.9
273.04568	6.9
275.03900	11.5
275.06525	18.5
281.05066	100.0
282.05420	2.7
291.05582	6.7
293.04950	6.0
293.07697	2.1
299.06293	14.8
301.04330	2.0
304.06506	1.9
305.07416	10.0
307.06586	2.9
311.06143	12.1
317.05023	6.0
318.90137	4.5
319.02478	9.3
323.06137	33.7
325.07446	2.4
335.06085	5.2
341.07318	1.9
347.06052	3.2
353.07135	3.5
365.06992	51.2
379.05090	24.8
383.08246	51.3
391.05042	6.3
397.06180	4.5
409.05997	3.3
421.06375	3.4
439.07202	9.9
481.08530	8.9
499.09155	15.2
545.13495	12.5
547.53760	2.2
615.63983	1.8
661.14575	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	660.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.4
55.05499	1.2
57.03424	0.9
57.07069	0.9
59.04996	1.7
67.05496	2.4
69.07047	1.4
69.28864	7.5
71.08617	0.8
73.06580	1.4
79.05492	6.6
81.03411	1.0
81.07043	2.4
83.08615	1.0
85.02905	1.1
87.04475	3.1
89.06035	65.8
90.16930	0.9
91.05480	6.2
93.07056	2.4
95.04982	1.9
95.08620	2.5
97.06568	1.0
103.05469	10.2
105.07038	100.0
106.07417	1.3
107.07034	1.0
107.08591	1.1
109.06519	0.9
109.10151	1.2
117.06999	1.4
117.72171	0.8
119.08593	1.5
121.10146	2.2
128.06235	0.9
129.07010	3.6
131.07048	2.4
131.08583	2.4
133.08612	52.9
143.08569	1.1
145.06499	1.1
145.10077	1.0
147.08107	0.9
155.08521	1.0
159.11670	1.3
171.08047	1.8
177.11261	5.4
179.08586	1.8
184.07372	2.5
192.09268	1.0
195.08144	1.0
200.41206	0.9
206.10945	0.9
207.08125	1.3
207.11716	3.4
209.13239	1.4
220.08826	1.1
221.13759	2.9
223.11150	4.0
227.08810	0.8
234.10480	1.3
249.12761	14.4
301.15903	3.6
325.15958	1.1
327.17462	15.6
371.19839	0.9
405.22171	42.6
417.22751	13.5
477.82565	0.8
488.41101	1.7
507.27112	1.2
521.29071	48.4
522.29456	1.5
625.35236	17.0
660.22217	1.4
660.42340	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	660.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.4
55.01868	4.0
55.05513	5.2
55.05735	1.0
57.03430	4.3
57.07080	19.0
59.04993	4.8
65.03939	1.4
67.05508	16.7
69.03416	1.3
69.07069	4.5
71.04996	1.5
71.08631	11.3
77.66799	0.9
79.05497	16.6
81.03422	22.7
81.07069	19.9
83.04988	3.4
83.08624	4.6
85.02874	1.3
85.06551	2.4
85.10195	5.6
87.04481	7.4
89.06027	8.4
91.05489	25.9
93.07034	11.7
93.38586	1.0
95.01327	1.2
95.04972	4.2
95.08615	13.0
97.06564	1.7
97.10184	2.4
103.05456	3.3
105.03391	3.0
105.07032	51.2
106.07369	1.5
107.04959	6.9
107.08595	6.9
109.06532	5.3
109.10152	6.8
115.05495	2.8
115.84316	0.9
117.07019	14.0
119.04926	6.0
119.08583	4.2
121.06516	5.5
121.10163	2.9
123.04425	3.1
123.11703	1.2
127.07520	1.4
129.05396	1.2
129.07005	5.6
131.04948	2.1
131.08562	12.8
133.06487	12.1
133.08626	3.8
133.10081	2.0
135.04420	8.6
135.08049	11.4
137.05989	29.5
141.06889	1.0
143.08563	1.8
145.06516	1.6
147.04449	8.0
147.08051	2.9
149.05978	9.3
149.09633	6.3
151.07605	1.5
155.08559	1.2
157.06497	2.5
159.08038	7.4
160.05214	1.2
161.06007	19.1
161.09586	2.0
162.05443	1.1
163.07585	4.7
164.07060	1.6
171.08095	2.3
173.05995	8.1
175.07538	6.8
177.07852	12.1
177.09171	11.9
177.10590	1.5
177.11264	1.1
179.07104	2.3
179.08670	1.2
187.07539	3.1
189.05463	1.1
190.08560	1.1
191.07079	1.7
195.10223	2.6
199.07570	1.6
201.09254	1.3
202.15846	2.5
203.07022	10.0
207.10201	1.0
211.07564	3.5
217.08766	1.2
220.09831	1.2
227.10826	1.4
228.10245	1.6
229.14470	2.2
236.15021	2.5
239.10634	1.4
241.12277	1.3
251.10635	1.9
253.13042	1.0
267.13870	2.0
269.11719	10.3
286.14420	1.7
287.12866	4.3
295.13373	3.7
300.13614	2.6
309.24265	2.4
311.16492	2.3
312.15912	1.8
313.14386	6.1
313.27405	16.1
314.27856	1.0
325.14600	1.4
330.16870	10.4
331.15363	8.8
369.17203	1.9
377.82269	1.1
386.19540	3.3
387.18109	4.1
399.14569	1.7
399.21698	2.3
404.20779	15.6
413.16183	2.7
414.16983	3.6
422.21677	2.0
427.17767	3.3
428.18411	5.8
442.20090	4.0
443.20837	2.7
463.33942	2.5
495.16797	2.4
509.18246	1.4
525.21399	9.4
555.22302	2.7
557.23920	24.2
558.24487	2.7
574.24158	3.5
601.22974	8.0
616.42596	1.6
642.43671	14.6
643.41870	4.9
660.24640	4.0
660.44733	100.0
661.23126	1.3
661.44861	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	660.286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14174	0.3
55.01871	1.6
57.03438	0.9
65.03912	0.5
67.05513	1.3
69.03418	0.8
69.07069	8.4
69.64686	2.4
79.05075	0.6
79.05498	7.6
91.05485	8.2
95.04977	0.4
97.06532	74.7
107.04965	0.7
109.06583	0.8
119.04945	6.4
121.06453	0.6
131.04979	0.4
133.06493	1.1
135.04424	0.9
137.05981	56.4
138.06317	0.4
147.04424	3.0
149.06000	2.2
161.09628	0.6
163.07545	1.5
167.07019	0.5
185.73813	0.4
186.06825	0.5
189.09096	11.1
191.06932	0.4
191.10706	0.7
205.12231	0.9
215.10687	1.4
233.11728	100.0
234.12097	1.0
250.14389	79.8
251.14648	0.5
424.15320	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2349
Annotation	Xyloccensin T
Peak:m/z	Relative Intensity
55.05504	4.2
56.29587	1.4
59.05011	1.9
67.05521	8.2
69.07052	1.3
70.19649	6.1
70.28885	1.3
79.05496	6.9
81.03403	2.7
81.07070	9.4
85.02878	1.6
86.09764	1.6
87.04447	1.7
91.05473	6.5
93.07045	6.0
95.04921	1.7
95.08619	3.9
97.06540	2.2
105.07009	6.2
107.04965	2.3
107.08575	4.6
109.06537	1.5
109.10160	5.0
117.07064	1.8
119.08594	4.1
121.10136	3.4
129.07008	1.5
131.08539	4.1
133.10161	3.6
135.11674	2.2
143.08568	2.6
145.10109	2.4
147.11710	1.6
163.03761	1.8
184.07306	3.2
200.06700	1.7
229.14388	3.6
233.18875	1.5
307.22614	3.1
308.23001	1.8
385.12869	1.9
399.14355	3.6
400.15173	6.6
409.12766	1.9
410.14627	1.8
412.15494	2.0
413.15698	4.4
414.16873	2.7
421.13193	3.2
422.13794	7.3
423.14621	8.4
424.15610	2.5
425.47830	1.6
427.18124	2.2
428.17975	2.2
429.19305	3.9
435.14627	3.9
436.15378	5.2
437.16119	12.3
438.16888	2.1
441.15427	2.6
450.16824	4.7
451.17590	6.0
452.18024	4.8
456.17438	3.1
457.18451	1.7
463.14468	2.1
464.14438	2.5
465.15295	5.2
465.19943	2.8
467.17340	3.1
469.15118	3.2
477.15372	2.0
478.16394	3.6
479.17026	4.5
480.17761	6.0
481.14264	1.9
482.15738	4.6
483.16449	4.7
484.16934	7.6
493.19263	10.4
494.14941	2.8
495.16666	6.4
496.17300	5.4
498.15103	2.9
506.15714	3.1
507.16614	3.6
508.17526	8.1
509.18036	6.1
511.19778	2.7
512.16626	21.3
513.17157	1.8
516.23438	2.2
521.18359	13.0
522.15460	5.0
524.16858	2.3
525.17981	2.8
535.15778	1.6
539.19275	3.3
540.19696	7.8
543.22552	2.1
553.20978	22.0
571.21838	3.0
572.22339	11.4
581.20398	61.7
582.20581	2.5
599.21155	28.9
600.21338	10.9
609.20184	1.9
613.22980	26.8
615.27826	2.2
622.23065	3.5
631.23688	4.3
641.22467	100.0
642.22516	5.3
659.23431	37.8
659.35474	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	658.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.4
55.01871	0.7
55.05516	5.3
57.03441	7.7
57.07071	1.4
61.02924	2.1
65.03909	1.2
67.05511	14.8
69.03422	0.6
69.07076	4.2
70.61785	0.9
70.62113	0.5
71.05024	0.7
71.08618	1.1
73.02934	0.5
79.05497	20.8
81.07059	100.0
83.04973	1.3
83.08623	2.0
85.02908	2.8
85.06569	0.5
91.03970	0.8
91.05479	6.9
93.07046	12.7
95.08616	14.0
97.02899	1.5
97.06555	1.0
97.10177	0.5
99.08104	4.1
103.03963	0.7
105.04434	0.5
105.07027	4.5
107.08592	7.6
109.06535	1.9
109.10174	6.0
111.08067	0.7
115.07542	0.5
115.24056	0.6
116.03226	0.5
117.07039	1.0
119.08596	3.5
121.10130	6.0
123.11748	2.5
127.07565	11.3
131.08588	3.4
133.10123	2.2
135.11688	4.0
136.93112	0.5
137.09601	0.5
137.13290	0.6
143.07034	0.8
145.08626	3.1
145.10071	2.6
147.11717	2.2
149.13255	3.6
159.11676	2.5
161.08202	0.5
161.13304	1.7
163.14859	1.9
173.13281	1.8
174.62759	0.5
175.14853	0.9
177.16402	0.5
187.14891	1.2
199.09708	2.0
201.11229	58.2
212.76016	0.4
219.17467	0.7
221.21689	0.5
222.51176	0.5
233.22659	0.6
243.21115	3.8
254.88277	0.5
255.05409	0.5
260.90158	0.4
261.22177	12.0
317.24854	1.4
335.25809	44.3
336.26260	1.3
351.27008	0.6
369.27856	1.4
443.31787	1.3
461.32666	15.0
462.33273	1.1
479.33893	1.8
480.91531	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.1
53.76340	0.8
55.01844	1.3
55.05508	12.9
57.03193	1.2
57.03434	13.3
57.07059	2.7
59.04988	4.2
61.02932	6.1
65.03921	2.9
67.05505	100.0
68.05827	1.1
69.03414	1.4
69.07074	6.4
69.80279	3.7
69.80678	2.1
71.04989	5.2
71.77498	0.9
73.02903	1.6
79.05492	32.2
81.07056	43.3
83.04968	1.7
83.08613	7.9
85.02907	5.8
85.06551	4.7
87.01754	0.8
91.03931	2.6
91.05482	16.8
93.07044	36.2
95.04947	3.0
95.08605	23.2
97.02881	3.6
97.06512	2.4
97.10162	1.3
98.20903	1.5
99.08081	2.8
105.07037	9.1
107.08604	13.8
109.06554	1.5
109.10155	77.1
111.08067	4.6
117.07018	4.1
119.08582	13.9
121.10149	20.5
123.11687	3.9
125.09605	2.6
131.08612	7.0
133.10126	8.7
135.11699	17.0
137.09654	4.7
137.64555	0.9
145.10124	7.4
147.11653	4.2
149.13223	7.4
155.10664	8.7
159.11690	6.1
163.11145	1.8
173.11722	18.5
173.13263	5.6
182.50598	1.1
187.14781	2.2
194.62732	1.0
205.19438	1.6
210.98822	0.8
215.17955	20.0
227.12762	3.0
229.14354	100.0
230.14632	1.4
233.19020	23.7
289.21585	1.4
307.22684	84.4
308.23026	2.1
335.25800	6.1
369.27853	1.9
387.28815	1.3
443.31317	1.1
461.32639	63.7
462.32791	2.7
479.33890	2.2
535.13525	1.0
615.34534	1.2
658.21545	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.4
53.03934	1.0
55.01869	0.9
55.05492	0.7
57.03405	0.5
57.07069	1.9
59.05001	4.0
60.77040	0.4
67.05510	1.6
69.07057	0.8
71.08626	1.8
71.49741	0.6
79.05495	5.8
81.07059	1.0
83.04989	0.5
85.10188	1.9
87.04466	9.3
89.06039	10.2
91.05491	3.2
93.07042	1.3
95.04975	1.9
95.08610	1.3
97.06557	1.2
103.03945	19.7
103.05452	4.1
103.07616	0.9
105.07034	100.0
106.07372	1.4
107.08604	1.4
109.06532	1.2
109.10179	0.6
117.07014	0.5
119.04881	0.6
119.08578	1.1
121.06505	6.6
131.07025	2.9
131.08577	1.2
133.06511	0.9
133.08614	5.7
135.08061	4.0
135.11734	0.5
147.06560	2.3
147.08063	0.9
149.09581	2.2
159.08049	0.9
165.09142	1.8
177.09169	1.5
177.11237	1.5
179.10725	1.0
191.09109	1.3
197.11731	7.1
207.12234	0.6
209.11694	1.0
209.13333	2.4
225.12807	1.3
227.12746	1.1
235.11682	2.2
236.14935	1.0
251.14349	1.4
265.14349	4.3
269.15393	0.7
281.15475	0.7
283.15433	3.6
301.17896	0.4
313.18054	0.9
329.15952	23.4
369.20490	0.9
387.21786	1.1
419.24429	0.6
433.22296	6.2
440.44107	0.4
461.32724	1.6
515.35577	0.4
597.27240	1.4
658.28961	1.3
658.47711	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	1.0
53.03940	1.4
55.01863	1.0
55.05497	0.8
57.07077	2.9
58.06593	0.6
59.04999	3.9
60.26953	0.4
62.60227	0.4
67.05496	1.2
68.19659	0.4
69.07064	0.8
71.08637	2.7
71.22781	0.9
71.92390	0.4
73.06568	0.6
79.05494	5.9
81.03438	0.5
81.07049	1.7
83.08582	0.6
85.10194	1.3
87.04469	9.3
89.06036	11.8
91.05485	2.5
93.07037	2.0
95.04964	1.9
95.08625	0.9
97.06532	2.0
103.03946	20.2
103.05436	3.8
103.07554	0.6
105.07032	100.0
106.07356	1.5
107.04968	0.6
107.08608	0.8
109.06504	1.1
109.10149	0.6
117.06986	0.7
117.09138	0.9
119.08585	1.2
121.06508	6.4
121.10120	0.6
125.06005	0.6
129.06999	0.4
131.07071	2.7
131.08569	1.1
133.06525	1.1
133.08611	4.4
133.10121	0.6
135.08061	4.9
135.11754	0.4
136.01683	0.3
147.06540	1.8
147.08075	1.3
149.09636	1.7
159.08066	1.0
163.09659	1.0
165.09114	2.2
177.09171	1.9
177.11252	1.9
179.10684	1.0
191.09183	1.5
191.10756	0.5
197.11737	6.2
206.57730	0.4
207.10043	0.5
207.12125	0.7
209.11696	0.9
209.13336	2.4
221.13768	0.5
223.11218	0.6
223.13213	0.5
225.12843	1.2
227.12852	1.2
235.11626	1.9
236.14992	1.1
251.14336	1.8
253.15843	0.7
265.14371	4.2
269.15347	0.7
281.15421	0.8
283.15372	4.4
313.17926	0.8
327.17487	0.9
329.15933	27.1
337.27402	0.9
347.17096	0.6
369.20648	0.5
387.21707	1.1
433.22260	7.0
459.28482	0.6
461.32993	1.1
517.57434	0.4
535.26770	0.6
537.28168	0.7
552.91803	0.4
597.26886	0.9
598.27393	0.4
658.28314	2.0
658.47339	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13751	1.5
59.04992	3.6
63.92506	1.2
69.35249	1.2
69.35556	12.3
88.42123	1.5
134.10555	1.4
188.22562	1.5
209.10686	2.0
223.12305	1.9
235.12282	1.8
237.13899	2.3
247.12379	1.8
249.14026	2.3
261.13889	2.8
273.13788	2.1
274.13504	1.7
275.15405	2.4
332.17648	2.0
351.16116	1.7
352.17740	2.1
363.16351	2.0
364.17462	3.0
365.17792	3.8
366.19348	2.0
376.17291	2.0
377.17706	4.5
379.19196	4.8
380.20465	2.4
381.20837	2.5
391.19366	7.8
392.19855	4.2
393.16666	2.4
393.20969	3.9
394.17938	2.1
395.22607	2.0
405.16672	2.1
405.21286	2.5
406.21655	3.9
407.18579	5.4
407.22537	4.9
408.19507	5.4
409.20444	7.9
419.18240	2.5
421.20139	5.6
421.24332	5.5
422.20898	5.8
423.21967	23.3
424.22424	2.3
434.21106	2.8
435.22275	11.7
436.22372	6.1
437.23358	5.9
446.21008	3.5
449.23090	4.7
450.20090	1.7
450.24844	2.1
451.21384	4.9
454.20291	4.3
461.23697	10.6
462.21259	2.7
462.41931	1.5
463.21167	4.5
464.22211	2.0
465.22598	6.6
466.22549	2.5
467.24377	6.5
468.25064	3.2
476.21555	1.7
477.23151	8.8
478.23547	2.6
479.24133	6.0
481.22305	3.2
491.20694	2.8
493.21487	9.4
494.27231	7.8
495.23581	15.1
496.24677	6.9
505.22293	1.7
507.08893	2.0
507.23639	3.3
508.24725	21.2
509.25745	16.6
510.26324	14.6
511.27216	17.1
516.24585	3.5
519.23859	4.1
521.25854	9.8
522.25867	4.4
523.23395	6.2
525.28613	4.4
526.28955	3.5
537.25073	24.2
538.25653	15.3
539.25385	1.8
549.24554	2.3
551.22729	3.4
553.28284	13.4
555.26147	2.7
565.24274	4.8
566.24695	1.8
570.27942	6.6
581.27582	33.4
582.25269	2.1
583.25305	8.3
595.28644	3.6
597.27124	63.2
598.27856	11.2
607.25757	3.5
613.30157	83.0
614.30438	3.4
625.26563	100.0
626.26550	4.9
644.78900	1.6
657.28894	5.8
657.65723	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.1
55.01873	6.4
57.03423	5.8
57.04008	2.2
58.30252	1.9
61.02946	4.3
68.99784	4.9
69.03436	11.1
69.36806	8.1
69.37229	10.4
72.01007	2.4
73.02906	5.2
73.94189	2.1
79.05480	2.5
81.03423	16.4
85.02910	48.1
87.00833	19.3
91.05477	10.3
97.02898	21.1
97.06520	9.8
98.20713	2.2
99.04446	5.2
103.03940	12.0
103.05470	11.6
105.01860	7.9
105.07030	6.3
107.04960	4.9
109.02915	13.1
112.47687	2.1
113.70720	2.1
119.04958	9.8
121.06507	7.3
122.03632	4.4
127.03925	22.9
129.01849	5.2
131.04942	34.1
133.02850	2.8
133.06482	5.3
137.05983	66.8
145.04953	10.8
145.06425	3.7
147.02901	3.0
147.04410	6.5
149.05980	24.2
151.03880	5.9
153.05551	3.0
154.99197	2.4
159.02878	6.4
159.04413	9.1
160.05199	4.1
161.06000	85.9
162.06723	6.1
163.07561	33.7
165.07114	2.6
169.06500	7.3
171.02863	2.7
171.04439	2.9
173.05977	5.9
174.06818	3.5
175.07542	19.9
176.04797	2.6
177.05440	6.0
179.07033	7.5
187.07527	8.9
188.04646	5.1
189.03897	13.7
191.07051	100.0
193.06538	4.0
193.08511	4.7
195.06549	5.4
197.05968	4.0
201.09160	4.0
203.07042	79.7
205.08652	10.0
209.08061	2.6
215.07040	12.4
221.05951	7.5
221.08104	29.6
225.05478	3.0
225.09044	7.2
227.06885	2.9
229.08621	23.9
233.08125	41.8
233.11641	12.6
237.09065	3.4
245.08154	11.2
247.09686	2.5
250.14403	13.3
251.06937	3.4
251.12730	4.6
253.08563	10.7
257.08102	20.8
258.30020	2.5
263.09238	4.5
265.08578	6.2
267.10190	4.0
275.08966	10.7
277.08682	3.0
285.11237	29.9
293.10165	3.7
295.09775	2.9
297.11182	6.5
303.77203	2.5
325.10699	6.5
327.12280	32.0
328.12433	2.5
339.12329	4.0
345.13303	21.5
357.13394	7.7
361.09125	6.0
369.13300	7.0
371.22501	2.4
379.10330	24.0
417.13309	2.2
433.11118	2.8
541.91382	2.2
554.67120	2.3
557.16998	2.7
607.25336	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	657.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07778	0.7
57.03441	1.3
57.07076	2.4
57.27587	0.8
59.05005	9.9
65.82537	0.8
67.05476	0.7
69.07064	1.4
79.05502	1.1
81.07044	1.4
83.08613	1.1
86.53552	0.7
87.04447	1.0
89.06020	2.6
91.05458	1.8
93.07050	1.2
95.08568	1.8
98.20737	2.2
101.05991	1.7
105.07043	1.0
115.07577	1.4
117.09140	2.1
119.08643	0.7
131.07256	1.0
131.08545	0.8
133.08527	1.0
144.08125	0.9
146.06027	1.2
158.09662	1.2
195.09113	1.1
197.10858	0.9
209.10727	1.3
211.12323	1.0
220.09898	1.4
221.10756	1.8
223.12354	1.1
232.10014	1.1
233.10587	1.1
235.12335	2.4
236.13057	1.1
237.13849	1.9
238.14749	0.9
239.11943	1.2
246.11444	1.3
247.12335	2.1
249.13802	2.1
251.15311	0.8
259.12430	1.0
261.13849	3.3
263.11627	0.8
273.13828	3.0
274.13504	1.3
276.11475	0.7
287.15018	1.0
288.15875	1.5
292.14566	1.1
302.12820	1.3
302.16333	1.5
304.14752	0.9
311.13998	1.0
312.14832	1.1
313.15778	0.9
314.16406	1.4
316.14331	1.3
318.16064	1.6
324.14676	1.3
328.18173	0.9
332.13840	0.8
336.14627	1.1
338.16794	1.0
340.18100	1.8
350.16284	1.5
351.16663	1.0
352.18066	2.2
353.18585	1.1
353.48599	0.9
354.19675	2.0
363.16232	2.4
364.17508	2.6
365.17728	2.8
366.18967	1.7
374.16406	1.1
375.16425	1.6
376.17001	2.8
377.17847	3.2
378.19281	1.9
379.14966	0.9
379.19492	5.9
380.16806	1.2
380.20990	0.9
381.20923	1.4
388.18015	1.4
389.17599	1.7
390.18762	1.9
391.19650	4.9
392.19983	3.0
393.16870	3.3
393.20990	3.2
394.17307	1.3
394.21857	1.6
395.22333	2.1
405.16501	2.0
405.20721	3.0
406.21945	2.4
407.17877	3.6
407.22528	3.0
408.19574	5.5
409.20206	6.8
412.19720	1.0
417.16882	1.7
417.86713	0.8
418.18658	1.2
419.18552	3.4
421.19833	7.5
422.21384	4.9
423.21939	21.4
424.21973	1.6
431.18524	1.0
433.20551	1.5
434.20926	3.2
435.22125	7.7
436.22980	5.5
437.24084	6.2
444.22595	1.0
446.21350	1.9
447.21606	3.2
448.21918	1.1
449.23328	4.5
450.19418	1.1
450.24539	2.0
451.20728	4.4
452.22836	1.3
453.22852	2.2
454.20041	3.6
456.22760	1.2
461.23660	9.5
462.20233	1.9
463.21570	5.1
464.22061	2.9
465.23309	4.2
466.20721	1.5
467.25464	4.4
468.25034	3.3
476.21954	3.0
477.23154	6.3
478.24155	3.7
479.25327	7.0
480.22260	1.6
481.22745	3.6
491.20499	1.5
492.21844	0.9
493.21603	8.1
494.26254	3.5
495.23755	15.2
496.24774	6.1
504.24048	0.8
505.22269	2.6
507.23819	2.9
508.24762	19.6
509.25781	13.6
510.26306	14.1
511.27225	16.6
516.24994	2.0
519.23273	2.1
521.25464	6.5
522.26666	4.0
523.23425	6.0
524.23920	1.0
525.28723	1.5
526.29199	1.4
536.24792	1.2
537.25098	19.8
538.25873	10.4
539.26465	1.2
549.24664	1.7
551.22968	3.2
553.28680	9.3
555.25922	2.2
563.26959	1.1
565.24457	4.6
566.24939	2.3
570.28345	4.5
581.27576	24.3
582.25604	1.6
583.25568	7.0
595.28259	1.0
596.27100	2.2
597.27148	56.5
598.27655	9.3
607.25317	2.8
613.30237	69.4
614.30383	3.3
625.26587	100.0
626.27014	3.8
639.28613	1.4
657.28943	7.5
657.51538	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	656.5092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64800	0.6
55.05485	2.5
57.03439	4.3
57.07077	7.2
58.06603	32.6
58.39390	0.6
59.04994	4.4
59.07385	9.1
59.88361	0.6
60.08168	7.5
67.05511	4.3
69.07027	2.7
71.04994	0.8
71.08631	4.9
71.10408	1.4
75.04454	2.0
78.06529	0.6
79.05458	2.2
79.62152	0.7
79.69689	0.6
81.07059	5.9
83.08586	1.8
83.59099	0.6
84.08132	1.0
85.02883	2.3
85.10149	2.3
87.04485	4.4
89.06036	4.7
91.05468	1.5
93.07021	1.6
95.08612	5.0
97.06484	0.8
97.10129	1.0
100.11217	0.8
105.07018	1.9
107.08566	1.0
109.10155	1.0
113.06051	1.1
115.07565	0.7
117.09097	0.9
119.08579	0.8
121.10092	0.7
131.07057	1.1
133.08580	1.9
133.39464	0.6
144.10214	15.2
144.11345	0.9
147.11641	0.9
162.11292	5.1
164.45164	0.7
177.11131	1.0
218.13881	2.2
236.14938	93.4
313.27533	1.1
382.25937	1.8
400.26947	6.1
418.28000	4.9
456.36807	7.4
473.52371	0.7
474.37958	16.9
638.49719	8.4
656.50983	100.0
657.51886	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.01881	0.5
55.05505	2.3
58.74441	0.3
65.03934	0.6
67.05508	17.3
69.07063	3.1
71.04981	1.0
79.05496	13.9
81.07060	21.4
83.04976	0.4
83.08627	3.4
85.06542	1.2
89.03925	5.3
91.05484	9.3
93.07050	12.7
95.04956	0.8
95.08611	15.3
97.06550	2.0
97.10136	1.0
99.08078	1.3
105.07037	6.8
107.04959	2.0
107.08600	6.7
109.10136	4.0
111.04489	0.4
111.08075	1.6
117.03390	7.5
117.06978	0.6
119.08588	6.0
121.10147	17.7
123.11687	1.3
125.09623	1.4
131.08582	0.7
133.10143	6.6
135.04419	14.6
135.11697	11.7
137.13280	0.6
139.11143	0.9
145.02853	12.8
145.04001	0.6
145.10132	0.8
147.04399	0.4
147.11690	10.6
149.13268	3.9
159.11702	1.0
161.13263	17.3
163.03908	100.0
163.14827	3.3
164.04245	1.0
165.12784	1.6
173.13257	0.4
175.14850	4.7
177.16409	0.7
178.75897	0.3
179.14311	2.4
181.04961	18.0
183.13779	0.3
187.14732	0.7
194.61737	0.4
207.62775	0.3
233.04393	0.7
243.21085	10.1
261.22150	19.8
279.23190	2.4
283.06046	0.5
325.07132	0.5
343.08148	0.4
508.24365	0.5
596.26569	0.6
656.27783	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	656.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
55.05510	4.8
59.05008	1.6
62.45565	1.1
67.05511	22.7
69.07066	5.7
71.48882	1.7
71.76345	1.1
73.02959	1.1
79.05502	21.4
81.07064	26.5
83.08628	3.9
85.06533	1.6
89.03915	5.6
91.05492	11.7
93.07056	15.9
95.04957	1.9
95.08618	21.0
97.06518	2.1
97.10184	2.6
98.93168	1.1
99.08128	1.1
105.07042	10.5
107.04932	2.6
107.08615	8.6
108.98411	1.2
109.10158	4.9
111.08075	2.1
117.03389	6.9
117.07012	1.5
119.08594	7.0
121.10154	22.6
123.11732	2.2
125.09624	2.3
131.08600	1.4
133.10156	8.2
135.04411	19.0
135.11713	15.4
145.02858	13.9
147.04431	1.3
147.11679	13.9
149.09615	1.5
149.13239	5.9
160.65358	1.0
161.13274	19.6
163.03918	100.0
163.14818	4.3
165.12775	3.4
173.13095	1.2
175.14836	7.5
179.14330	3.7
181.04961	15.8
184.07353	1.5
243.21100	14.2
243.67111	1.2
261.22150	23.9
279.23260	3.4
368.43781	1.1
554.97760	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.9
53.51608	1.1
55.01862	3.9
57.03429	3.5
61.02927	2.6
65.03959	1.6
68.99783	2.4
69.03434	8.5
69.07058	7.9
69.63271	4.9
69.63687	2.0
71.04964	1.6
73.02908	2.4
79.05478	3.7
81.03419	9.2
85.02451	1.6
85.02912	28.7
87.00835	10.8
91.03944	1.5
91.05481	22.1
95.04954	3.8
97.02892	16.1
97.05932	2.5
97.06535	41.9
99.04453	3.8
102.04659	3.7
102.68678	1.4
103.00635	1.4
103.03934	4.3
103.05466	8.1
105.01865	7.0
105.07054	6.1
107.04951	1.7
107.19434	1.2
107.52732	1.3
109.02878	9.1
109.06512	1.8
115.05437	3.6
117.01921	1.4
117.06979	1.4
119.04238	1.9
119.04954	19.9
121.06492	4.4
122.03651	3.5
123.04435	2.7
124.05214	2.2
127.03918	10.7
129.01903	3.2
130.04108	3.4
131.04926	16.5
132.62791	1.3
133.02855	12.8
133.06494	7.0
135.04414	3.5
137.05983	100.0
141.06952	1.7
143.04930	2.3
145.02844	2.0
145.04964	6.8
145.06427	3.6
147.02867	2.7
147.04414	20.2
149.06000	11.1
150.06793	8.9
151.03896	3.0
151.07549	3.2
157.20769	1.2
158.03651	2.2
159.03004	2.9
159.04428	7.6
160.05212	2.4
161.05946	12.2
162.06743	15.7
163.07535	15.4
165.05420	2.3
169.06520	2.6
171.02913	2.2
173.05975	8.8
175.03928	3.8
175.07559	3.0
176.04703	3.8
177.05489	12.1
179.07030	4.7
180.07823	2.0
183.04323	1.6
186.03090	1.9
187.07507	4.0
189.03899	7.5
189.05435	2.5
189.09123	5.4
191.07036	52.4
193.04965	3.6
195.06470	1.5
197.05977	3.5
201.05466	45.5
201.09052	2.2
203.07016	13.2
204.04129	3.2
205.06555	1.9
205.08659	2.9
207.06418	3.1
213.05379	1.5
215.07010	5.3
219.06487	14.5
229.08629	8.2
231.06725	6.6
233.05902	2.2
233.08153	16.3
233.11711	45.2
237.09117	1.9
243.06493	4.3
247.07535	1.5
247.09676	1.3
250.14389	53.6
251.12801	20.8
257.08057	7.3
264.07593	1.7
265.08578	3.1
268.15439	6.2
275.09247	6.0
277.08328	2.0
293.07803	2.2
293.20078	1.3
307.09793	3.2
317.10199	1.6
323.09167	9.8
324.09171	1.6
325.10675	13.5
337.10614	3.0
343.11743	7.3
355.11771	8.8
361.08884	3.0
379.10300	14.3
433.13065	1.5
536.16107	1.4
573.16010	2.2
603.38660	1.4
612.16644	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.6
55.01874	4.3
57.03428	2.5
61.02922	2.6
68.99798	1.5
69.03417	9.5
69.97519	3.7
71.04988	1.2
73.02924	1.8
79.05458	2.3
81.03414	7.9
85.02903	22.6
87.00837	10.4
91.05477	11.8
95.04955	2.1
97.02892	15.1
97.06517	5.4
98.21482	1.4
99.04432	4.1
102.04688	1.9
103.03939	3.8
103.05453	9.6
105.01871	6.0
105.07051	3.6
107.04964	2.1
109.02872	9.5
111.04398	1.3
115.05458	3.6
117.01810	1.3
117.03410	1.3
117.07016	2.7
119.04928	11.6
122.03634	2.4
127.03907	11.9
129.01825	2.6
130.04146	3.7
131.04921	21.3
133.02867	9.7
133.06464	5.6
134.03564	1.2
135.04417	2.1
137.05969	49.2
141.07042	1.1
143.04941	3.8
145.02863	4.1
145.04935	6.5
145.06479	5.0
146.03571	1.4
147.02960	2.3
147.04414	13.3
149.05981	7.2
150.06755	4.4
150.65303	1.1
151.03899	3.4
151.07506	3.4
158.03636	5.8
159.02904	4.0
159.04410	5.3
160.05209	3.3
161.02394	1.6
161.05974	10.1
162.03050	1.5
162.06783	11.2
163.07533	17.4
165.05544	1.2
169.06487	3.3
171.04381	1.8
173.05989	17.4
175.03862	5.6
175.07510	4.8
176.04733	2.3
177.05470	16.4
179.07021	3.4
183.04330	1.2
186.03131	6.1
187.07582	3.3
188.04602	1.8
189.03944	7.1
189.05461	2.0
191.07025	46.3
193.04988	2.1
195.06583	1.9
197.05995	4.2
199.07510	1.2
201.05461	100.0
202.05876	2.0
203.07025	18.6
203.08795	1.8
205.06485	3.3
205.08578	2.9
207.06432	1.9
207.50609	1.2
211.07541	1.9
213.05544	1.6
214.06346	1.3
215.07092	6.7
219.06523	18.1
221.05881	1.2
222.06726	2.6
225.59409	1.5
227.07011	1.8
229.08582	8.7
231.06706	8.2
233.05945	4.8
233.08109	13.5
233.11716	5.6
234.06732	2.9
237.09082	3.5
239.07054	1.6
243.06512	5.0
249.09172	1.7
250.06339	1.7
250.14420	5.6
251.07133	2.0
257.08084	10.0
261.05374	1.4
262.06198	2.2
264.07751	1.6
264.15912	1.4
265.08536	8.0
265.11084	1.1
267.06586	1.9
275.09076	6.7
277.08621	3.0
289.45111	1.3
292.07391	3.6
293.07840	7.0
294.08624	1.5
297.11105	1.5
305.07990	5.7
307.09689	4.4
308.09439	1.3
323.09103	7.9
325.10693	26.7
337.10803	6.1
343.11765	9.2
349.10623	1.6
355.11694	19.3
361.09167	3.1
367.11777	1.6
379.10168	12.9
543.44861	1.2
659.88751	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3902
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	3.6
56.44381	0.6
57.03429	5.4
57.07080	37.7
58.08366	0.8
61.02926	7.7
67.05512	11.8
69.07069	8.3
71.08636	29.0
73.02909	2.6
75.04486	2.7
79.05486	1.2
81.07061	12.8
83.08626	10.2
84.08113	1.4
85.02918	8.2
85.10187	18.1
89.06027	1.0
91.03966	8.5
93.07051	0.8
95.08611	22.1
97.02894	5.3
97.10177	3.8
99.11778	0.9
100.11221	1.9
105.07020	1.6
109.10159	9.8
111.11732	1.2
111.51444	0.6
120.04430	1.8
123.11731	5.0
125.13279	1.0
127.03936	3.0
129.84782	0.7
137.13255	2.3
139.14864	1.1
145.04982	3.6
163.06013	4.6
171.18791	0.8
175.72589	0.7
179.98291	0.6
221.22655	1.4
231.11288	1.2
239.23701	29.1
257.24789	4.2
257.27097	0.7
313.27380	100.0
314.27759	2.5
331.28482	12.6
475.32687	3.2
655.27142	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	656.212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.6
53.03711	0.9
53.03951	11.9
54.00496	0.4
55.01866	1.4
55.05513	1.3
57.03437	1.3
59.99115	4.4
61.02930	1.8
67.01855	2.5
68.99787	2.3
69.03432	22.2
70.02274	1.7
71.04990	3.1
72.08167	0.6
73.02927	1.8
73.06555	3.1
73.41432	0.4
79.05521	1.0
81.03422	35.8
81.07052	0.6
83.01350	1.1
85.02912	11.6
86.06064	4.3
87.00831	20.4
91.03969	0.5
94.11443	0.4
94.39947	0.4
95.05000	0.7
97.02897	26.3
98.61803	0.4
99.03852	0.7
99.04457	10.4
102.03785	0.5
102.99659	0.9
105.01872	13.1
106.06559	41.4
107.06906	0.6
109.02885	62.4
117.01856	1.9
125.02379	1.1
127.03922	100.0
129.01851	2.1
132.04791	5.5
134.06044	2.6
141.01881	0.6
145.04955	4.3
147.02898	1.2
153.01805	0.7
157.13406	1.5
159.02910	8.1
164.18007	0.4
173.43298	0.5
183.02904	0.6
187.06046	1.4
191.11835	1.2
195.02890	1.1
208.05385	2.6
213.03952	19.4
217.10033	2.4
231.05016	40.4
232.05325	0.5
249.06027	0.9
250.10100	3.3
280.11136	2.3
291.07156	0.5
299.04010	2.7
317.05048	22.3
318.83313	0.5
335.06097	8.5
400.80890	0.4
551.15411	5.4
656.21124	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	655.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07079	0.4
70.08466	0.9
75.04443	0.4
79.05484	0.4
83.04994	0.4
89.06032	0.3
91.05473	0.5
93.07022	0.5
97.06461	0.3
105.07011	0.7
142.16367	0.3
181.02603	0.4
200.66066	0.3
335.26105	0.3
377.17780	0.5
379.19037	0.3
381.30682	0.4
390.18546	0.4
391.19235	1.2
392.19675	0.4
393.20755	0.6
404.20642	0.3
405.16467	2.0
406.17249	0.7
406.22006	0.5
407.22464	4.3
408.23154	0.4
418.17456	0.4
419.18228	3.3
420.19135	1.8
421.20007	1.1
433.20657	5.2
434.21033	4.2
435.21860	7.9
436.22403	0.8
446.21301	0.7
447.17783	1.5
447.22116	1.5
448.17874	1.5
449.19186	2.3
451.21152	0.4
461.19724	2.0
462.20288	4.6
463.21060	3.5
464.22452	0.3
475.21356	1.6
476.22012	1.1
477.23117	1.7
478.23743	0.4
479.20270	0.8
481.25833	0.4
489.22684	1.0
493.22141	1.0
494.23383	0.5
495.23538	1.7
507.19312	0.6
508.24664	2.1
509.25687	1.8
520.24799	0.4
521.25677	11.4
522.25684	0.5
535.26508	0.6
547.26703	0.6
549.25000	18.4
550.25220	0.6
553.24664	1.1
563.26471	2.7
564.26886	0.5
565.27252	0.3
567.26251	0.6
577.24225	0.5
580.26788	0.3
581.27417	3.1
595.29248	9.3
596.29272	0.4
600.53748	0.3
607.28931	0.5
609.27081	10.7
610.27478	0.5
623.28210	1.3
655.30945	100.0
656.31403	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	655.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.2
55.05280	1.3
55.05510	14.9
57.07077	18.2
59.04974	2.3
63.57981	1.3
67.05473	2.3
69.07045	1.3
69.24998	1.8
69.43386	10.7
71.04988	3.3
74.74355	1.3
79.05485	2.2
81.07049	1.7
83.04982	64.6
83.15736	1.4
87.04441	2.2
89.05997	5.1
91.05464	7.3
93.07021	2.6
93.31306	1.3
95.04952	1.9
95.08587	1.6
98.98415	4.7
103.05434	1.7
105.07033	21.1
107.04920	1.3
119.08549	2.6
121.06473	2.5
128.06194	4.5
129.07010	11.0
131.08543	2.2
133.08577	3.7
146.23216	1.4
147.07967	5.6
147.11717	10.9
150.10837	1.5
151.01538	1.5
157.07562	3.2
159.08018	1.9
169.07506	1.6
175.00177	2.2
175.01573	38.6
181.02611	60.2
187.01387	1.9
215.39819	1.4
223.12224	2.8
225.12692	1.4
227.04720	18.7
231.07744	1.5
235.12230	2.2
237.13655	3.8
238.14453	2.2
247.12227	1.7
251.15372	3.7
257.05792	7.0
260.11951	1.4
261.13828	1.8
272.09521	1.3
279.14981	1.6
283.10803	4.3
289.47021	1.3
313.11942	33.9
316.95923	1.5
331.12793	2.6
363.15805	1.9
369.18201	18.8
377.17548	2.5
391.14984	2.0
403.19250	2.2
404.19888	1.8
405.16568	1.7
405.21222	1.9
407.18347	1.9
417.20633	3.1
418.21613	2.5
419.22797	2.1
421.19983	3.1
433.23627	4.4
448.18414	1.8
449.18979	6.3
450.20139	1.9
461.19452	2.6
462.20389	2.4
463.21378	12.1
465.19089	1.9
475.21149	3.7
477.18399	11.1
479.24365	3.5
480.21503	3.0
487.12482	3.0
487.20773	2.0
491.24533	2.1
492.24854	3.8
497.24957	2.9
501.22977	9.1
502.23514	1.6
503.20474	1.8
508.20285	2.1
514.25256	2.5
525.24487	3.9
529.28070	2.9
533.25836	7.1
535.22992	6.2
536.23383	3.0
543.11554	2.2
543.19055	27.8
550.25146	6.3
551.26178	7.0
553.23767	4.3
561.24329	2.8
565.28119	57.3
577.23651	2.3
578.24811	2.5
579.26251	8.3
583.28430	6.0
585.27100	15.7
593.27429	8.6
595.25476	27.3
599.25366	70.4
609.27118	17.8
611.28217	6.6
613.26648	31.5
623.25232	10.4
630.43134	1.6
637.27014	6.3
655.27747	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2763
Annotation	Karajinone A
Peak:m/z	Relative Intensity
53.45678	0.7
55.05512	3.5
57.07080	3.3
59.05006	0.8
63.92891	0.6
67.05485	1.0
69.84166	1.2
69.84565	3.2
71.04986	1.1
81.07088	0.7
83.04980	12.7
91.05486	1.5
93.07021	1.0
95.08591	1.1
98.98470	1.2
102.51138	0.7
102.51817	0.8
105.07048	1.7
129.07036	1.5
132.71188	0.7
147.08099	0.8
147.11708	2.3
156.48470	0.6
157.07683	0.8
171.09302	1.0
175.01572	7.5
181.02609	9.7
209.10835	1.6
221.10751	1.4
222.11555	1.3
223.12350	2.9
224.13133	1.4
225.13936	1.8
227.04712	5.4
227.18832	0.8
235.12340	2.3
236.13092	2.3
237.13869	5.6
238.14726	3.1
239.15511	2.1
241.87051	0.7
246.11707	1.2
247.12340	1.1
249.13882	2.9
251.15504	4.7
253.17072	3.1
253.75949	0.7
257.05927	1.1
261.13882	7.1
262.14786	0.9
279.14957	2.0
280.15546	1.0
283.11111	1.5
291.30219	0.8
300.15311	0.7
313.11942	6.8
340.18051	1.7
348.13425	0.8
350.15894	0.8
351.16739	0.9
352.17636	1.5
353.18259	1.4
364.17758	0.9
365.17911	1.0
366.19290	1.3
367.19437	3.1
369.18097	3.7
377.17941	4.2
378.19214	0.9
379.15213	1.1
379.19519	2.0
380.16360	1.5
380.20911	1.0
381.20975	2.1
391.19373	2.3
392.20932	1.1
393.21466	1.4
394.17725	1.2
395.18488	3.5
396.19476	1.5
405.17035	3.2
406.18469	1.2
407.18909	4.0
409.20432	1.6
411.21936	1.2
420.19955	1.3
421.20184	2.9
422.20923	2.1
423.17776	1.5
424.19333	0.8
425.20270	1.4
426.21497	1.5
435.18176	2.9
437.19955	2.0
438.20578	1.6
439.21353	2.0
441.22879	1.4
448.19138	2.4
449.19827	4.8
450.20816	1.6
451.22089	1.5
452.23859	0.9
453.23648	1.0
454.24142	1.3
455.20523	0.8
463.21524	1.6
465.18747	6.8
466.19849	0.9
469.26123	3.5
476.18484	2.5
477.19232	1.1
479.24191	3.5
480.21765	2.8
481.22406	2.8
482.23349	3.4
483.19757	1.6
492.21490	1.1
493.22818	1.4
496.25024	0.8
497.25491	6.3
498.23242	0.9
501.22757	0.9
507.24271	4.9
508.21518	3.1
509.21335	1.6
510.22763	2.6
512.25323	1.0
514.25891	4.9
521.21698	1.6
524.24408	1.1
525.25006	7.6
526.23572	0.8
529.28223	6.3
535.23627	2.8
536.23553	1.1
539.26227	1.4
542.25226	2.7
543.18939	7.1
552.24127	1.3
553.24420	5.9
557.27692	4.0
563.22791	3.0
563.31750	0.7
565.28058	2.1
567.25830	5.0
569.27747	2.0
570.24854	1.8
579.25513	0.8
581.23987	4.5
585.27118	21.1
586.27106	1.0
595.25507	100.0
596.25574	2.6
599.25330	14.3
613.26575	94.5
614.27008	2.6
623.25519	1.0
627.28400	1.9
655.30823	11.2
655.42676	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.4946
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31910	0.4
55.05510	2.9
57.03435	4.1
57.07074	4.6
58.06600	30.6
59.07380	9.1
60.08163	8.0
67.05186	0.5
67.05502	4.9
69.07072	2.9
69.45586	3.1
71.04977	0.7
71.08595	2.3
73.02897	0.6
74.09686	0.5
75.04446	2.1
79.05489	3.0
81.03407	0.5
81.07054	4.0
83.04935	1.0
83.08584	1.5
84.08120	1.1
85.02876	2.2
85.06541	0.5
85.10148	1.8
86.19838	0.5
87.04469	3.9
91.05459	2.3
93.07052	3.2
95.04929	0.7
95.08598	3.4
97.06490	0.8
97.10149	1.2
100.11233	0.7
102.05531	0.8
103.03892	0.7
103.05489	0.5
105.05481	0.7
105.07004	1.9
107.08601	2.5
109.10107	1.4
113.05991	1.7
115.35894	0.5
117.07035	0.6
119.08556	1.1
123.11707	0.6
129.06969	0.6
130.08595	0.8
131.07022	1.3
135.11647	1.8
144.10194	14.6
145.10135	0.8
147.11694	0.9
162.11256	4.5
195.74612	0.5
200.12852	0.8
206.93350	0.6
218.13881	1.6
236.14922	79.4
237.15349	0.8
244.77460	0.5
313.27386	1.0
325.12302	0.5
398.25333	4.5
412.37817	0.9
416.26532	8.4
456.36829	6.6
474.37967	12.6
475.38205	0.6
503.93463	0.5
636.47137	1.0
654.49359	100.0
655.49805	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	653.2971
Annotation	Haplophytine
Peak:m/z	Relative Intensity
55.05516	1.5
57.03439	0.8
57.07079	1.4
59.04996	3.1
64.63499	0.7
66.26627	0.6
67.05499	2.9
69.07076	1.7
71.08631	0.9
71.23187	1.3
71.23531	0.7
79.05492	4.0
81.07066	3.5
83.08630	0.7
89.06034	0.6
91.05482	2.6
91.32005	0.7
93.07044	1.9
95.05015	0.9
95.08604	3.2
97.10212	1.0
105.07047	1.9
107.08583	1.0
115.50407	0.8
117.07038	1.1
119.08598	1.7
121.10172	1.3
121.93291	0.7
129.07053	1.0
131.08611	1.0
133.10167	1.5
136.43858	0.7
141.06949	1.0
143.08554	1.0
145.10135	1.6
151.11127	0.8
159.11723	0.9
161.09830	0.7
169.10254	0.8
182.03297	0.6
200.16699	0.7
335.25882	1.0
375.16327	0.9
377.17963	0.9
389.17862	1.0
390.18430	1.7
391.19238	5.4
392.20047	2.5
404.20450	1.3
405.20737	9.1
406.21606	7.1
407.21884	0.8
417.21082	0.8
419.22354	2.7
420.23285	5.3
421.23984	10.6
433.20193	3.0
434.24649	1.3
435.18430	1.2
436.19205	2.5
445.20520	1.4
446.20517	1.2
447.21646	1.6
449.27280	1.1
450.20526	2.0
452.22589	2.0
460.22659	2.0
461.23578	0.8
465.22937	37.1
466.22815	1.0
473.19894	2.1
475.25436	1.2
477.26855	1.1
478.23706	2.1
479.24570	6.7
480.25418	3.9
487.21182	1.1
488.22009	4.4
491.20248	1.6
492.21201	1.2
501.22998	1.3
503.24448	42.8
504.24799	1.6
507.27655	2.6
535.27081	36.6
536.27838	1.2
551.26691	4.6
555.40063	0.8
561.25171	2.5
565.28693	1.0
566.28583	1.4
579.26031	35.3
593.27924	1.9
594.28326	19.2
595.28278	1.0
603.53955	0.8
610.20837	0.8
621.27228	20.5
622.26831	0.9
635.46289	1.1
653.29718	100.0
654.30151	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	653.297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.3
55.05509	1.9
55.67649	0.8
59.04994	3.7
61.07405	0.9
67.05499	3.2
69.33688	5.2
69.34113	2.6
75.60771	0.7
79.05479	2.6
81.07040	2.0
83.04971	1.3
89.06011	2.9
91.05467	3.1
93.07027	1.9
95.08601	1.3
97.06570	0.9
98.21587	1.8
105.07040	4.3
117.07035	1.4
117.09149	1.6
131.08542	1.2
133.08618	1.2
133.10130	1.0
135.11748	0.9
143.08691	1.1
146.67532	0.9
152.14951	1.1
177.68034	0.9
187.10995	0.9
209.10725	1.7
216.46732	1.0
221.10776	2.2
222.11476	1.4
223.12260	1.8
225.13847	4.9
226.14551	1.1
235.08575	1.2
235.12349	2.6
236.15044	1.4
237.10138	1.7
237.13834	3.2
249.10103	2.0
249.13937	2.4
251.08266	1.1
263.08191	1.1
265.09622	1.0
265.13150	0.9
275.15387	1.6
277.09717	1.4
312.15128	1.2
314.12875	1.2
336.11066	1.0
337.11810	2.7
352.14389	1.1
366.15973	1.5
387.15692	1.0
399.16730	1.2
402.18237	2.7
415.15317	1.3
416.16052	1.4
417.16461	1.9
417.21240	1.1
426.17920	1.2
427.15350	1.5
429.17191	2.8
430.17914	2.2
431.17734	4.4
440.16492	1.3
443.19141	2.3
444.19440	1.7
445.20114	3.7
446.20819	2.9
447.21701	3.9
454.17358	2.9
459.22513	6.4
461.23315	1.7
471.17911	1.5
472.18564	1.4
473.23969	1.9
474.20096	1.6
475.21011	3.2
487.21460	10.0
488.22043	1.6
489.22836	1.1
501.23114	4.5
515.20551	4.0
517.21893	1.9
518.23077	1.5
519.23975	4.3
524.84216	1.0
529.22205	3.8
533.25299	3.8
534.22424	1.7
546.22137	1.0
547.23041	3.4
561.24969	100.0
562.25214	3.6
589.24500	9.2
621.27075	81.9
622.26770	4.2
653.29004	2.0
653.47302	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	653.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.3
57.07076	0.9
59.05004	2.2
65.89993	0.8
67.05509	2.8
69.07064	2.3
69.49192	6.0
73.04886	0.8
79.05479	3.3
81.07056	3.9
81.34074	0.8
81.65367	0.8
87.04433	0.9
89.06043	0.8
91.05490	3.6
93.07035	2.6
95.04991	0.9
97.06514	1.1
105.07029	3.3
108.81772	0.9
109.06441	0.7
109.10163	1.7
117.07045	1.0
118.06496	1.2
119.08533	2.4
120.08080	1.1
121.10091	1.0
131.08601	1.9
133.10150	1.2
135.98549	0.9
143.08627	1.1
145.10078	0.9
156.08078	1.2
183.09317	0.9
208.09982	1.7
209.10739	2.8
210.11464	1.8
211.12317	1.5
222.11525	1.1
223.12276	3.5
224.13165	0.9
225.13794	5.9
228.52673	0.8
236.14903	1.0
237.10262	1.3
237.13823	2.3
238.14725	1.0
239.15428	1.3
247.12346	1.3
249.10185	2.9
249.13799	1.3
265.09848	1.0
270.13687	1.0
277.09680	1.6
280.08087	0.8
293.09277	1.3
301.21707	1.0
324.11374	1.1
325.12106	1.2
335.25790	1.9
337.11908	2.1
350.12970	1.0
351.13651	1.3
352.14420	1.4
366.16159	2.1
374.47629	0.9
387.16205	1.3
394.15564	1.0
396.13333	1.8
401.17694	1.5
402.18674	1.0
412.15964	1.3
415.14926	2.1
416.15564	1.1
416.20386	1.5
417.16583	1.5
424.12619	0.9
428.16483	1.0
429.17194	4.0
430.17960	1.8
431.18365	3.1
431.23187	1.7
434.20993	1.1
443.18900	1.5
444.19449	1.7
445.20261	3.6
446.20807	3.1
447.21915	4.1
454.17447	1.9
459.22226	7.4
460.22757	1.4
471.17841	1.6
472.18549	1.2
473.23770	1.5
474.20294	1.4
475.21085	2.7
487.21570	11.8
501.22513	3.5
502.19760	1.1
503.19983	1.1
515.20349	2.6
517.23291	1.0
519.23730	3.7
529.22241	3.9
531.20361	1.4
533.25696	4.3
534.22180	1.6
547.23303	2.4
561.24994	100.0
562.25256	4.4
589.24420	8.7
621.27081	95.9
622.27838	3.9
653.32782	6.8
653.47766	2.7
679.67108	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.4
57.07087	0.8
59.05001	2.4
67.05507	2.1
71.06959	1.3
71.08642	0.8
79.05518	2.3
81.03422	0.9
81.07063	2.2
84.27667	0.7
89.06039	0.7
91.05495	2.7
93.07064	1.9
94.06616	0.6
94.37648	0.7
95.08599	1.9
105.07039	1.7
107.08574	0.9
109.10177	0.9
117.07064	0.9
119.08593	1.2
120.08176	0.9
131.08563	1.0
133.10150	1.2
145.10138	0.9
149.09608	0.7
157.10168	1.2
183.09329	1.0
183.11696	0.7
207.09265	1.5
209.10860	2.1
210.11488	1.2
211.12300	1.0
221.10878	1.6
222.11612	1.3
223.08734	1.2
223.12413	1.8
225.10362	1.0
225.13911	4.1
226.14702	0.7
234.11708	0.8
235.08786	1.4
235.12328	0.9
236.15036	1.4
237.10281	1.4
237.13782	3.0
238.14517	0.7
239.15500	1.4
247.12378	1.0
249.10316	2.9
249.14011	1.2
250.11119	0.9
251.08209	0.9
263.11795	0.8
275.08527	0.7
277.09778	1.8
293.09213	0.7
312.11398	0.7
326.12814	1.1
337.12296	1.2
338.12851	1.2
340.14575	1.0
342.16064	0.9
350.12772	0.7
351.13788	0.7
352.14432	1.7
366.16156	1.9
373.14105	0.7
382.15823	0.8
396.13272	1.0
402.18747	1.0
403.19507	1.2
414.14709	1.1
415.15308	1.4
415.19922	0.9
416.16180	1.3
417.16513	1.5
417.21219	1.3
428.20145	0.9
429.16907	3.4
430.17981	2.1
431.18399	2.2
431.22681	2.2
432.18997	1.0
440.16080	0.8
443.18915	2.2
444.19354	2.0
445.20352	3.5
446.20807	3.3
447.21732	3.9
454.17731	1.4
457.16272	0.8
459.22449	4.9
460.22644	1.4
471.18015	1.1
472.19086	2.2
473.19144	1.3
473.24240	1.1
474.20154	0.9
475.21329	3.3
486.20862	1.0
487.21381	11.2
488.22018	1.1
501.23441	3.0
502.23950	0.9
503.20547	1.4
515.20746	2.3
517.22791	1.1
518.22925	1.1
519.24353	3.4
529.22510	3.8
531.20374	0.9
533.25446	5.2
534.22748	1.5
547.23584	2.3
561.24982	100.0
562.25568	5.0
589.24408	8.9
621.27081	74.0
622.27527	2.5
635.46313	0.8
653.29694	1.7
653.48126	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.2
55.05505	5.5
56.69850	1.2
57.03439	2.1
57.07067	2.6
59.04996	4.3
61.85574	1.1
62.43773	1.2
66.01321	1.2
67.05515	9.6
69.07049	3.4
71.08636	1.9
71.44173	1.3
71.49577	1.6
72.12156	1.3
75.38677	1.2
79.05494	7.6
81.07060	7.9
85.06532	1.4
91.05499	10.4
93.07048	3.9
95.04992	1.6
95.08609	5.6
97.06527	1.9
97.10229	1.8
98.78637	1.2
105.07051	6.1
106.33018	1.2
107.08593	4.1
109.06458	1.3
109.10154	2.4
111.30783	1.4
117.07024	2.6
117.09107	1.5
119.08591	4.6
121.10128	1.9
123.08064	1.5
123.11694	1.4
128.91454	1.2
129.07036	3.3
131.08551	4.2
131.98177	1.4
133.10115	3.1
135.11748	1.6
143.08546	2.4
144.07983	1.5
145.10184	3.1
147.11687	2.5
155.08522	1.8
157.10149	2.7
159.11694	2.0
163.11284	1.6
169.10074	2.1
171.11650	1.7
185.13255	1.4
199.81723	1.5
209.10786	2.1
210.11540	2.4
221.10762	2.0
223.12233	3.8
224.13168	1.4
225.13885	4.4
236.14941	1.8
237.13893	4.0
249.10184	2.1
249.13948	2.0
250.11064	1.5
251.11868	1.9
261.10059	1.4
277.09747	2.2
285.22110	1.5
293.09235	1.9
301.21613	1.6
305.09503	1.4
335.25894	1.4
337.11963	2.3
352.14706	1.4
357.61493	1.6
366.15918	2.6
392.67859	1.4
412.16699	1.4
417.21082	2.3
429.17029	2.1
430.17838	1.9
431.18521	4.2
444.19827	2.2
445.20258	4.0
446.20963	4.2
447.21686	4.4
454.17776	2.1
456.87582	1.7
459.21753	5.4
460.22418	1.6
474.20142	2.1
475.21167	3.7
486.20975	2.2
487.21451	11.8
501.22925	5.0
503.20645	1.8
515.20465	3.1
517.22278	1.5
519.23773	2.7
529.22394	4.3
533.24994	4.6
534.22272	2.3
539.37317	1.7
547.23315	3.7
561.25000	100.0
562.25116	5.1
589.24762	8.0
593.27460	1.9
603.22412	3.2
621.27136	82.2
622.26965	3.0
635.46130	4.9
653.29767	2.6
653.48163	7.5
663.20618	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.4115
Annotation	Unknow
Peak:m/z	Relative Intensity
66.77245	0.5
67.05508	0.8
69.03421	0.9
69.07064	1.0
70.06578	0.7
71.04965	0.8
71.08495	1.3
73.02930	1.1
73.06551	2.8
79.05498	0.7
82.20087	0.6
85.02908	0.8
86.09680	0.6
87.04470	14.1
89.06033	100.0
89.99533	0.5
90.97395	0.5
91.05487	2.3
91.07613	0.9
93.07066	1.2
94.06568	1.4
95.04988	0.6
95.07336	1.2
96.08142	2.3
97.06533	5.4
105.25764	0.6
107.07121	0.8
108.08106	1.8
110.09695	5.2
111.10018	0.9
117.09144	1.3
119.04958	0.7
119.09611	0.6
120.08109	3.7
121.08414	0.7
122.09740	1.2
127.08710	2.5
130.08688	0.7
131.07033	4.6
133.08607	61.8
136.07567	1.1
137.05981	11.8
138.06323	1.4
138.09148	19.3
139.09520	4.7
143.04939	0.8
146.09644	1.1
147.04405	0.6
157.13341	0.7
164.07097	2.0
165.07568	0.8
166.08611	0.6
169.13403	0.7
174.09187	1.3
175.07620	1.5
175.09651	4.0
177.11230	22.1
189.09163	1.1
191.08179	0.6
219.12267	1.1
220.09769	0.8
221.13875	3.9
230.08487	0.6
233.11700	6.7
235.10852	0.7
250.14374	5.0
251.12714	0.8
257.09238	0.7
261.08755	6.2
262.09018	4.5
265.16467	1.0
285.08597	1.2
286.08817	0.8
288.17273	1.7
309.19275	1.0
331.09460	0.8
360.90775	0.7
406.17517	0.7
453.18600	1.7
471.19592	2.2
481.18088	1.8
498.18240	0.6
499.19138	2.5
572.25989	0.9
590.27057	2.2
616.24872	2.0
635.38751	3.3
652.25354	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.2
55.01863	2.7
55.02095	0.6
55.05277	0.8
55.05514	12.9
57.03424	1.3
59.05001	0.7
59.99117	5.3
61.02922	1.4
67.05508	13.3
69.03431	7.6
69.07053	0.6
70.18703	0.7
70.19041	2.5
71.04984	1.5
72.08152	1.0
73.02900	1.6
73.06237	0.6
73.06565	6.4
79.05494	5.6
81.03422	15.3
81.07053	7.4
83.01316	1.4
83.04977	5.5
83.08623	12.7
85.02914	7.6
85.07674	1.1
86.06075	6.0
91.05468	2.1
93.07053	4.8
95.01314	0.7
95.04971	42.2
95.08611	40.2
97.02898	23.7
97.03524	1.3
97.06505	1.1
99.00821	14.2
99.01459	0.9
99.04464	3.0
101.02376	0.9
102.00098	1.0
102.03758	1.1
102.99618	1.2
105.04494	0.9
105.07040	4.8
106.06558	63.5
107.04930	2.0
107.08553	0.9
109.02883	48.8
109.06520	7.0
113.06010	9.4
115.08682	1.1
117.01856	1.7
119.08582	1.3
121.10152	0.8
123.08076	24.9
123.08974	1.4
127.03922	56.0
127.07548	2.1
132.04790	9.0
133.10097	0.8
134.06041	4.2
141.09122	0.7
145.04071	1.3
145.04930	6.5
145.10043	0.8
151.07552	36.4
157.13376	5.0
163.11134	0.7
169.08609	61.2
171.02928	1.3
175.05386	1.0
187.09659	100.0
188.10001	0.9
191.11794	1.6
208.05400	4.3
217.10030	7.8
229.10809	1.1
241.10695	4.1
250.10117	5.2
259.11792	4.8
280.11209	4.2
295.11789	15.0
313.12823	33.6
331.13882	21.3
366.07974	0.7
415.20975	1.6
462.17923	2.2
487.26743	0.7
547.23108	6.5
652.28638	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	652.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.2
55.01865	3.3
55.05511	16.8
57.03431	1.6
57.07092	0.8
59.05012	0.7
59.99113	6.0
67.05505	13.1
69.03088	1.0
69.03430	13.9
69.07039	0.7
69.87232	3.1
69.96457	0.6
71.04977	1.8
72.08144	2.1
73.02914	2.5
73.06554	7.6
77.03910	0.8
79.05496	6.3
81.03422	22.6
81.07056	6.3
83.04977	5.1
83.08620	13.8
85.02910	11.3
85.07680	0.8
86.06065	6.1
87.04478	1.3
88.36877	0.7
91.05481	2.0
93.07033	4.2
95.04970	51.1
95.08605	38.7
97.02891	44.9
99.00819	12.8
99.04459	5.6
102.03755	0.7
104.18798	0.7
105.07030	5.3
106.06555	69.3
107.04963	1.4
107.08616	1.4
109.02879	51.3
109.06513	7.4
111.36166	0.6
113.05998	9.2
113.38004	0.7
115.08720	0.8
117.01833	1.3
119.08601	1.1
121.06507	0.8
121.10136	1.4
123.04441	0.7
123.08067	26.6
127.03915	60.2
127.07572	2.4
132.04796	13.2
133.06544	1.0
134.05956	4.6
141.09119	1.4
143.08488	0.7
145.04088	1.8
145.04962	4.9
145.10150	0.9
147.07994	0.7
149.05971	0.7
151.07547	47.0
157.13359	5.5
167.07094	0.8
169.08604	66.0
171.02925	1.0
175.05367	1.9
177.59508	0.7
185.08064	1.1
187.09656	100.0
191.11797	1.7
197.92213	0.7
208.05385	5.2
213.53912	0.7
217.10062	7.6
241.10664	1.5
243.05020	1.7
250.10072	5.3
259.11688	1.1
280.11176	3.9
280.13986	0.7
295.11771	11.3
313.12805	49.6
331.13864	26.5
359.15646	0.7
379.15250	1.8
462.17966	2.3
484.21173	2.3
547.23303	7.2
652.28320	4.4
652.42889	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07459	0.3
52.97729	0.4
53.03935	0.7
55.01883	0.4
65.03938	0.6
67.05500	1.0
69.03425	0.4
70.54298	0.9
70.54639	0.3
77.55017	0.3
79.01942	0.3
79.05479	1.0
80.04996	1.1
81.03415	0.5
81.05800	0.6
81.07048	0.6
85.02922	0.4
90.76785	0.3
91.05490	0.5
93.05792	1.1
93.07047	0.5
94.06577	3.9
95.04985	0.6
95.07324	0.5
96.04495	0.6
96.08128	2.1
97.06569	0.4
98.06072	0.8
104.04977	0.5
105.07024	0.9
106.06565	3.5
107.04955	1.4
107.07346	11.4
108.04497	1.0
108.08113	0.7
110.06046	0.9
112.07600	0.3
112.96202	0.3
116.07120	0.4
120.08111	0.6
121.08891	0.5
122.06081	2.3
122.09673	100.0
123.06818	1.0
123.10025	0.8
124.03970	0.4
124.07619	2.3
124.11237	12.3
129.13724	0.4
131.08583	0.3
134.06038	1.3
135.03249	0.3
136.03947	1.6
136.07587	1.2
140.07082	1.1
147.20259	0.3
148.07582	0.8
148.11252	1.7
150.05516	6.2
150.09135	5.4
152.07085	4.3
152.10701	1.2
158.08165	0.6
160.03958	0.3
160.07639	0.7
172.07568	0.8
174.05476	0.4
175.08755	0.8
176.07079	1.0
176.09438	0.8
176.10736	2.8
177.06589	2.4
178.05013	5.4
188.07071	0.7
189.10295	0.7
191.08183	1.0
193.09792	0.4
194.08250	0.6
195.07700	0.4
196.06035	2.0
200.07088	0.6
202.08707	2.1
203.08153	9.2
204.06616	3.9
204.10213	2.9
205.09790	0.4
211.10832	1.0
213.08653	0.5
213.10399	0.5
215.08208	0.4
217.09718	5.4
219.11301	0.4
220.09698	0.7
227.08125	0.5
230.08235	1.8
231.07648	0.6
231.11397	0.4
233.09383	0.5
235.10785	23.0
241.09975	0.3
243.11200	0.6
244.09724	0.6
245.09232	8.8
246.07683	0.8
248.09219	1.7
253.11775	2.9
259.10950	0.6
261.08670	1.3
261.12460	0.7
263.10291	10.0
264.11115	0.4
265.11807	0.8
272.09183	0.9
275.14151	0.4
279.09738	1.0
287.10278	4.4
289.11713	1.7
290.10236	0.7
305.11334	12.9
307.12897	6.5
333.10770	0.7
334.15720	0.3
335.16367	0.7
364.20160	3.1
372.94012	0.3
392.19794	3.4
393.18497	0.3
410.20764	5.0
412.15091	0.7
428.21875	15.4
429.22516	0.4
430.16241	2.7
436.18808	0.6
438.20313	12.3
454.19821	4.9
456.21387	8.5
464.18195	1.2
482.19226	2.3
587.24841	0.5
605.26184	2.5
615.24176	0.8
623.27155	7.9
624.27240	0.5
633.25604	5.4
651.26434	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.4
61.33025	0.4
67.05475	0.7
70.82030	0.7
71.30561	0.3
79.05488	1.8
80.05009	0.8
81.05765	0.7
81.07083	0.6
91.05492	0.7
93.05764	0.9
93.07045	0.6
94.06567	4.7
95.07336	0.7
96.04530	0.4
96.08129	1.9
98.06078	0.6
101.87542	0.4
105.07014	0.9
106.06558	3.5
107.04959	1.4
107.07341	11.6
107.08503	0.5
108.04466	0.6
108.08134	0.7
110.06060	1.2
120.08078	0.6
122.06089	3.0
122.09673	100.0
123.06783	0.7
123.10011	0.7
124.03986	0.5
124.07612	2.4
124.11233	11.1
134.05988	1.6
136.03955	1.7
136.07574	1.4
140.07045	1.0
140.47086	0.4
148.07611	1.0
148.11169	1.9
149.71770	0.4
150.05516	5.1
150.09148	5.9
152.07074	4.5
152.10681	1.1
158.08160	0.9
174.09183	0.7
175.08728	1.0
176.07138	1.1
176.09438	1.5
176.10748	3.5
177.06622	1.4
177.64485	0.4
178.05003	5.9
188.07089	1.0
189.10239	1.1
191.08241	1.0
192.06683	0.6
193.09824	0.8
194.08221	1.0
196.06067	1.9
199.08633	0.5
200.07179	0.5
200.09239	0.4
202.07042	0.4
202.08743	1.9
203.08156	9.6
204.06635	3.4
204.10193	4.2
205.09770	0.8
211.10748	0.8
213.08617	0.8
213.10413	0.6
215.08272	0.5
217.09729	7.1
230.08134	1.6
231.07617	0.5
231.11380	0.5
233.09245	0.5
235.10783	38.3
236.11305	0.5
237.12222	0.4
243.11360	0.6
244.09816	0.5
245.09219	7.5
246.07655	1.3
247.10918	0.8
248.09210	1.4
251.10350	0.8
252.92426	0.4
253.11824	2.8
259.10745	0.9
261.08798	1.5
261.12476	1.4
263.10281	10.5
264.11121	0.5
265.11826	0.7
271.10837	0.8
272.09235	0.8
273.12329	0.5
275.13806	0.5
279.09775	1.1
287.10284	4.8
289.11862	1.5
305.11343	13.2
307.12918	6.8
322.15607	0.6
323.17758	0.5
333.10696	0.7
334.15509	0.5
335.16232	2.0
336.16925	0.4
348.17151	0.5
353.13480	0.5
364.20157	6.5
372.51059	0.4
392.19702	6.0
410.20786	6.7
412.15106	1.5
418.17770	0.5
420.19424	0.6
428.21838	15.3
429.22098	0.6
430.16220	4.2
436.18954	0.6
438.20251	19.6
439.20425	0.5
448.17407	0.6
454.19724	5.8
456.21350	9.7
464.18634	1.7
470.19992	0.5
472.28903	0.5
482.19131	2.5
484.16879	0.5
516.31152	0.4
525.85168	0.5
605.26245	4.0
615.24249	1.2
623.27124	8.3
633.25494	8.2
634.25464	0.6
651.26752	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.1
67.05507	1.7
69.41917	6.2
69.42241	1.5
70.06609	1.1
79.05492	2.2
80.04986	1.3
82.06582	1.2
88.05237	0.9
91.05473	3.3
93.07040	6.9
94.06570	8.0
95.07363	5.3
96.08125	10.8
97.06545	4.9
100.57166	0.9
103.05469	1.3
104.14360	0.8
106.06576	2.0
107.07333	3.1
108.08121	10.9
109.08904	0.9
110.09685	25.8
110.10416	1.8
119.04973	1.3
120.08105	18.9
121.08878	2.4
122.06071	5.0
122.09674	17.0
123.06804	1.3
130.34831	0.8
131.07304	2.8
134.09721	1.0
135.27826	0.7
136.07562	5.2
137.05975	3.7
138.09146	100.0
139.09532	1.1
146.09651	3.2
147.04424	1.1
162.09134	1.2
163.03851	1.1
164.07095	8.5
166.08690	5.9
167.91293	0.8
174.09140	11.0
177.06699	0.9
178.41368	0.8
181.09714	3.8
182.08049	1.7
190.08823	1.1
191.08160	2.7
192.10202	3.4
200.09366	1.1
200.41527	1.0
202.07367	3.4
202.08905	1.6
203.08072	1.5
208.13391	0.8
213.10205	1.0
217.09706	6.7
218.08170	2.7
229.09799	1.0
230.08153	1.4
231.11359	0.9
233.09296	1.9
233.11742	2.8
235.10751	1.4
236.09206	6.7
243.11290	1.1
245.09158	1.6
248.09293	1.2
250.14462	3.5
257.09290	4.1
259.10822	1.0
261.08725	40.4
264.15866	1.4
269.09131	1.1
272.09177	2.7
283.77957	0.9
285.08731	8.8
287.10318	6.5
301.11768	0.8
305.07669	3.1
305.11252	1.6
307.12936	1.2
313.08157	5.5
314.98645	1.0
315.09814	1.4
317.15182	1.1
331.09326	6.3
361.14310	1.4
363.17236	1.0
388.16653	1.1
398.17126	5.4
404.16028	2.2
406.17618	6.9
414.16650	1.4
424.18817	1.4
432.15475	1.8
434.17386	1.9
440.01712	1.0
450.16846	1.7
452.18176	17.8
468.17316	4.7
470.19305	6.9
478.16217	6.6
496.17105	8.2
543.25330	0.9
571.25470	3.0
589.26630	16.4
597.22876	1.9
607.27277	1.8
615.24585	11.2
633.25537	7.3
634.48499	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.4
55.01874	1.7
55.05514	7.9
57.03426	1.4
59.75818	0.6
59.99105	3.2
61.02928	1.6
61.79849	0.7
68.99797	2.5
69.03088	1.1
69.03431	13.8
69.33501	4.7
71.04984	2.2
72.08160	1.5
73.06560	32.5
79.05480	1.2
81.03419	25.5
85.02907	14.1
86.06065	1.3
87.00832	17.9
89.04247	2.1
97.02901	11.1
99.04452	7.7
102.99657	0.7
105.01881	8.9
106.06561	29.9
109.02892	18.3
125.02361	0.7
127.03925	38.0
129.01836	1.3
132.04797	100.0
134.06036	3.5
145.05005	11.0
147.02887	0.6
159.02942	0.9
164.98550	6.6
171.02914	0.7
191.11797	1.6
206.99550	6.6
208.05391	2.1
213.03903	5.2
217.10007	8.0
225.00581	3.9
231.05008	27.1
249.06085	1.8
250.10110	1.3
280.11032	1.3
292.99725	3.5
302.99570	0.7
311.00671	26.4
322.15894	4.3
328.97809	0.9
329.01733	18.6
349.19513	0.7
380.10181	2.1
465.15646	3.2
481.54758	0.7
545.10968	6.0
570.21143	1.2
650.15479	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.6
53.03951	4.3
55.01873	1.1
55.05509	1.8
57.03450	0.7
59.99112	3.6
65.03938	2.1
67.05495	1.2
69.03429	6.5
69.07072	0.9
72.08147	0.6
73.02918	0.8
73.06555	4.5
77.03931	1.4
78.04700	0.6
79.05495	8.7
81.03416	2.5
81.07054	21.9
85.02891	1.9
86.06081	3.1
91.04922	0.7
91.05479	8.4
93.03426	1.4
93.07047	16.4
95.04968	36.8
95.08576	0.8
97.02895	10.7
99.00829	0.6
99.04415	0.8
102.99676	1.0
103.05468	5.3
105.04507	2.1
105.07039	17.9
106.06556	54.8
107.01312	11.8
107.04956	9.2
107.08585	0.9
109.02888	2.5
115.08698	0.8
117.07049	0.5
118.21418	0.5
119.08600	0.9
121.02874	25.7
121.06505	27.9
123.08070	27.6
123.08815	0.6
125.02356	12.3
127.03913	2.7
132.04811	4.3
134.06010	2.8
137.05974	0.7
139.03902	1.3
139.07539	0.7
143.03427	0.7
145.04291	1.8
149.05980	66.6
157.13373	8.2
161.99384	0.6
167.07040	100.0
168.07341	1.0
175.05353	1.1
176.11465	0.5
185.08092	75.9
191.11794	1.1
208.05338	3.4
217.10042	4.9
250.10017	3.9
280.11102	2.0
293.10214	5.5
311.11255	14.1
329.12302	9.7
400.19577	0.9
413.19110	2.2
419.12610	0.5
460.16611	1.4
485.24643	1.7
545.21869	4.3
650.27246	3.1
650.40027	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3021
Annotation	Gnidilatidin
Peak:m/z	Relative Intensity
57.03444	0.3
57.07065	0.5
59.05014	1.7
62.04666	0.4
67.05479	0.4
71.08624	0.8
71.10037	0.7
79.05502	0.5
81.03384	0.3
81.07063	1.2
83.08587	0.4
87.04477	0.8
89.06021	0.3
91.05484	1.0
92.38563	0.3
93.07035	0.6
95.08606	0.5
101.06022	0.4
105.07029	0.6
107.08577	0.6
117.06978	0.4
119.08591	0.5
122.23758	0.3
131.08588	0.4
137.17438	0.3
165.33987	0.3
169.02545	0.4
177.93680	0.3
220.85620	0.3
233.10889	0.4
389.17752	0.4
402.18378	0.5
403.19406	1.4
404.20023	0.4
405.20627	0.7
415.19238	1.0
416.20486	0.5
417.16367	0.4
417.20972	2.7
418.21475	1.1
419.22525	1.0
429.16608	0.6
429.21518	0.6
430.17996	1.3
431.17831	3.1
431.23203	1.0
432.18875	0.7
432.23907	0.7
433.24304	2.1
443.18762	1.1
444.18860	1.5
445.20044	5.9
446.21161	1.4
447.21899	1.3
457.20615	0.6
458.21555	0.4
459.22241	5.7
460.22543	3.8
461.23544	3.2
467.47736	0.3
471.21939	0.4
473.19397	4.9
474.20621	1.0
475.25189	1.1
487.20667	2.4
489.22748	1.0
491.25085	0.6
500.22464	0.4
501.22781	0.9
502.23907	2.2
503.24722	4.8
515.24506	1.2
519.22943	1.5
529.25854	0.7
531.23883	0.7
532.24927	0.7
533.21899	0.5
537.37445	0.5
545.21973	0.7
546.26416	1.0
547.27264	9.7
548.27496	0.4
561.24707	3.4
574.26105	0.4
577.24347	0.6
589.28137	18.9
590.28857	0.6
605.24268	0.4
607.29272	2.1
617.27148	0.5
649.30212	100.0
650.30511	4.5
651.40106	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90121	0.6
53.03942	2.4
55.01861	2.8
55.05517	6.1
57.03442	7.1
59.05003	9.7
59.98877	0.5
59.99119	4.9
61.02928	7.9
65.96137	0.5
66.04588	0.6
69.03433	22.4
70.50513	1.5
71.04988	2.1
72.08156	5.1
73.02921	2.6
73.06559	31.6
75.18307	0.5
77.03937	0.7
79.05498	2.0
81.03429	8.8
83.01344	0.6
85.02909	100.0
85.07676	2.1
86.06084	3.0
87.04484	2.1
87.47212	0.5
91.03949	3.4
95.04971	0.8
97.02898	33.0
99.04458	4.9
101.02386	0.8
102.03790	1.0
102.41427	0.6
102.99671	0.9
103.03971	0.9
103.07584	1.1
105.04576	0.7
106.06560	67.0
109.02891	10.3
115.03944	1.8
115.08692	4.6
116.07095	1.1
117.05492	0.5
117.09109	0.7
127.03925	26.1
131.07027	7.4
132.04796	45.5
134.06027	10.4
141.06606	2.1
145.04988	40.9
148.58751	0.6
157.13374	7.2
163.06021	13.7
175.05360	6.0
189.11284	1.2
191.11792	8.3
208.05389	2.8
217.10063	43.2
247.15518	0.7
250.10172	3.6
260.08966	0.6
280.11209	2.2
289.09015	0.8
307.09775	0.6
322.15793	0.7
325.11319	2.4
379.15329	9.8
381.24899	1.4
484.21164	1.1
499.89154	0.6
541.20679	5.1
646.25983	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	649.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
59.28264	0.7
70.10399	1.5
70.10753	2.1
73.54259	0.7
79.05520	0.9
81.03414	0.8
85.04051	0.7
93.07031	1.1
97.06516	0.9
107.07329	0.9
107.08607	0.7
108.08144	0.9
122.06010	1.4
122.09648	4.6
131.07306	2.9
136.07594	1.8
146.09650	6.2
150.09171	0.9
174.09181	4.7
183.09148	0.9
184.09938	1.1
185.10800	0.9
187.08682	1.0
189.10236	1.1
192.10219	1.4
200.09450	1.3
201.06610	2.1
202.07321	10.4
211.08672	0.9
212.09444	1.4
213.10260	5.5
215.08128	0.9
217.09743	12.0
220.09723	12.8
226.07578	0.9
229.09721	0.9
233.09210	5.5
235.10780	1.7
239.08124	1.4
241.09737	1.5
257.09225	30.4
259.10812	3.6
261.08722	100.0
262.09070	1.5
269.09241	1.3
273.12405	1.6
285.08698	49.0
286.09158	1.3
287.10223	2.4
302.12753	1.2
313.08212	39.4
343.39816	0.7
345.10825	41.2
348.21683	1.9
361.14264	1.5
374.14996	1.2
388.16666	0.9
398.17102	21.3
406.17651	9.7
434.17426	4.0
444.05887	0.7
466.19867	4.2
468.21292	1.7
480.17654	12.4
482.19244	30.2
483.19501	1.0
494.19263	14.8
512.20197	2.3
603.28064	5.9
617.26050	19.9
621.68878	0.9
631.27649	17.5
649.28638	6.8
649.38757	1.4
672.07056	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	3.5
53.03954	12.1
55.01873	10.2
55.05277	2.3
55.05515	31.1
57.03439	11.8
57.07069	6.0
58.06614	8.6
59.04999	5.9
60.08167	3.1
65.03941	5.7
67.05508	93.4
69.03088	3.1
69.03434	46.5
69.07072	29.7
71.04983	8.1
71.08635	2.5
73.02898	4.9
75.04482	3.1
77.03947	3.0
79.05499	91.6
81.03423	42.1
81.07059	100.0
83.05002	10.9
83.08627	16.0
85.02905	8.2
85.06535	6.9
87.04480	4.9
89.06028	8.1
91.05486	79.2
93.07048	95.0
95.04964	24.8
95.08615	42.8
97.02893	9.9
97.06546	12.3
97.10175	3.0
99.04446	3.0
99.08096	5.5
103.03960	2.7
103.05465	3.7
105.04517	5.8
105.07037	69.0
106.07366	3.8
107.04960	7.5
107.08600	46.2
109.02892	10.2
109.06531	11.5
109.10179	16.0
111.04415	6.5
111.08081	5.6
115.05453	6.9
117.07015	31.2
119.08585	34.1
121.06533	12.3
121.10147	38.6
123.04436	4.6
123.08064	7.7
123.11716	7.6
125.09604	4.0
127.03909	6.5
128.06273	4.3
129.05501	2.4
129.07002	17.5
131.08586	36.0
133.06477	6.1
133.08546	4.7
133.10136	31.6
135.08046	12.1
135.11705	18.4
137.09599	5.9
139.11220	2.0
141.06993	6.2
142.07700	2.6
143.08549	15.4
144.09299	1.9
144.10272	3.6
145.06514	5.5
145.10107	20.3
147.04509	2.0
147.08037	6.6
147.11705	16.7
149.09634	10.0
149.13251	17.8
151.07597	4.1
151.11147	3.1
155.08617	10.1
157.10147	10.6
159.08064	5.0
159.11703	23.3
161.09650	7.1
161.13263	6.5
163.11246	4.9
165.07106	2.0
165.09143	2.4
165.12738	3.4
167.08577	2.2
168.09335	2.1
169.10133	8.6
171.08063	3.4
171.11662	12.3
173.09633	5.7
173.13284	5.9
175.11192	9.7
177.12729	10.7
179.08594	2.6
179.10719	2.6
181.10143	5.1
181.12119	1.8
183.08028	3.0
183.11684	5.8
185.09708	3.6
185.13213	4.9
187.11201	4.0
187.14783	3.4
189.12764	4.9
193.10222	2.6
193.12161	2.3
195.11877	3.5
195.13815	14.5
197.13293	5.1
199.11230	3.5
199.14873	3.3
201.12752	3.9
201.16367	2.8
203.10544	2.1
203.14368	2.5
209.13234	3.3
211.11255	2.1
211.14896	2.9
213.12741	4.5
213.14630	2.6
213.16464	2.6
215.14301	2.9
215.17929	5.0
215.49098	1.8
217.12253	2.1
219.13759	2.4
221.13379	2.1
221.15384	4.2
225.12785	3.8
225.16371	2.1
227.17978	3.5
229.12244	2.9
229.43387	1.9
231.17455	5.0
233.15529	2.6
233.19000	2.0
236.14940	17.9
237.15269	7.6
243.17610	2.2
245.19092	3.3
249.18459	4.0
255.17403	5.7
257.15494	1.9
261.14813	2.1
261.18481	2.8
269.17447	22.9
273.18463	6.4
280.39136	1.9
291.19592	3.3
299.20016	3.4
305.18665	2.5
313.21658	2.3
317.21170	2.9
321.16873	3.1
323.20093	6.0
339.18152	5.7
339.28989	1.7
341.21194	11.7
347.22531	1.8
359.22269	7.6
365.23248	2.7
377.23428	3.2
395.20752	5.1
415.24603	4.9
433.26062	9.5
457.36920	2.4
474.38382	2.3
475.38477	4.7
501.36032	4.9
609.37445	6.1
627.38495	8.7
644.85944	2.8
645.39575	54.2
645.47894	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.4007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.4
55.05511	7.2
56.10936	1.1
57.03442	10.5
57.07068	3.1
59.04992	3.3
61.02919	4.9
65.48257	1.1
67.05508	40.5
69.03421	2.4
69.07069	9.8
71.00787	1.0
71.04953	1.7
71.48900	1.9
79.05495	28.8
81.03416	2.5
81.07060	26.7
83.04963	2.5
83.08602	3.7
84.23665	1.1
85.02895	4.7
85.06535	1.6
87.04479	2.3
89.06023	2.3
91.03973	1.3
91.05479	13.7
93.07050	33.8
95.04953	4.0
95.08611	100.0
97.02885	3.0
97.06514	5.2
99.08086	2.9
105.07040	16.0
107.08599	11.5
109.06525	1.9
109.10162	7.1
111.08057	1.6
113.09619	1.6
117.07002	3.5
117.09187	1.2
119.08592	6.1
121.06502	2.0
121.10145	15.6
123.08071	3.4
123.11687	3.6
125.09628	2.6
129.01875	1.1
129.07014	2.8
131.08540	8.5
133.10115	6.9
135.11684	11.8
137.06013	1.6
141.09093	6.8
145.10127	4.8
147.11652	5.2
149.09625	1.4
149.13257	6.3
159.10159	8.7
159.11688	4.6
161.13199	1.6
167.07172	1.3
173.13274	2.9
175.09509	1.2
177.12793	1.2
186.13701	1.1
187.14888	1.4
205.19519	2.1
213.11194	2.6
215.12799	56.8
215.17928	13.5
221.15437	1.6
227.32564	1.2
233.19017	15.7
267.32275	1.3
307.22690	47.2
388.60568	1.1
404.93793	1.3
447.31097	30.2
459.78088	1.4
465.32367	2.5
644.40558	1.7
645.39264	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.4732
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18602	0.3
55.01852	0.5
55.05513	3.1
57.03431	3.2
57.07078	4.2
58.06598	26.8
59.07380	7.5
60.08163	7.5
65.98083	0.3
67.05502	2.9
69.03396	0.4
69.07035	1.1
71.05004	0.4
71.08630	3.1
71.49604	0.7
73.02888	0.7
75.04468	2.3
76.93134	0.3
77.98917	0.3
79.05486	2.6
81.03392	0.5
81.07053	2.9
83.08612	2.6
84.08089	0.9
85.02885	1.9
85.10152	1.7
87.04468	2.9
89.05595	0.3
89.06028	3.2
91.05447	1.4
93.07009	1.6
95.04967	0.4
95.08611	2.5
97.06501	0.6
97.10159	2.9
101.06028	0.4
102.05495	1.1
103.03927	0.4
105.05492	0.4
105.07024	8.3
107.08621	1.6
109.06544	0.3
109.10110	1.1
113.05981	1.3
117.06970	0.5
117.09081	0.4
121.06472	0.8
121.10110	0.5
123.08040	0.4
123.11674	0.5
125.09631	1.6
130.08609	0.8
131.06990	1.3
131.08484	0.8
133.08612	1.6
133.10065	0.7
135.08008	0.5
144.10199	12.5
145.10149	0.3
147.11636	0.4
149.09650	0.4
158.15346	0.3
162.11256	4.4
165.08937	0.4
171.10062	0.3
176.41241	0.3
189.11142	0.7
200.12709	0.4
218.13853	0.5
227.12674	0.5
236.14919	75.7
237.15088	0.6
250.95241	0.4
313.27432	0.6
315.18030	1.1
316.41330	0.3
361.26559	0.4
369.29962	0.4
370.22299	0.5
388.23291	8.0
406.24323	6.5
412.37891	0.7
419.24280	0.9
456.36844	6.3
474.37909	14.8
626.46136	4.3
644.47290	100.0
645.39752	0.3
645.47974	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	644.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.3
50.64264	0.2
51.02381	0.5
53.03948	1.6
55.05495	0.2
57.03439	0.4
59.05009	1.5
69.78729	1.2
70.06492	0.2
73.06579	0.3
77.03905	0.5
79.05491	5.4
80.48662	0.3
81.03386	0.2
87.04476	2.2
89.06034	16.3
91.05479	1.7
93.07046	2.2
95.04966	1.7
102.40986	0.2
103.05473	4.6
103.06145	0.3
105.07034	100.0
106.07376	0.9
117.09106	0.4
119.04931	0.4
119.08640	0.5
121.06508	11.8
129.06989	0.5
131.07062	0.8
131.08560	1.4
133.08609	10.7
133.91325	0.2
142.21980	0.2
145.06476	0.3
147.08044	1.3
149.09641	0.5
165.07040	0.3
165.09135	3.8
166.07806	0.5
175.09688	0.6
177.11227	2.4
194.11008	0.2
209.11574	1.2
209.13464	1.4
221.13794	0.6
222.40787	0.2
223.11157	0.5
225.12769	2.1
227.12744	1.4
251.14305	2.4
269.15445	1.6
271.15454	0.6
313.18036	1.0
315.18027	23.6
316.18506	0.5
323.18549	0.3
327.17374	0.5
329.18964	1.3
373.21765	0.7
385.73984	0.2
389.03967	0.3
419.24301	26.5
420.24619	0.7
521.28760	0.3
523.30536	3.0
627.36475	0.3
666.61768	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	0.2
51.02367	0.7
53.03951	1.4
55.01878	0.3
57.07063	0.2
59.04990	0.9
67.05501	0.3
68.33722	0.2
69.18281	0.3
69.18678	2.1
77.03941	0.6
79.05492	6.2
81.03409	0.3
81.07059	0.3
87.04469	2.7
89.06032	17.3
91.05484	2.1
93.07055	2.5
95.04978	1.5
97.52914	0.3
98.20655	0.2
103.05474	4.2
105.07033	100.0
106.07360	0.8
111.44009	0.2
119.08572	0.7
121.06506	12.4
129.06998	0.5
131.07057	0.6
131.08562	1.2
133.08611	10.5
147.08058	1.1
149.09586	0.4
165.07082	0.5
165.07677	0.3
165.09111	4.1
166.07840	0.4
167.08562	0.3
169.08104	0.3
175.09698	0.4
177.11223	2.3
185.37527	0.3
191.10745	0.3
193.12065	0.2
209.11557	1.3
209.13458	1.3
221.13887	0.5
225.12766	2.2
227.12857	1.7
251.14322	2.4
255.16035	0.3
269.15338	1.6
271.15399	0.6
295.17313	0.3
313.18109	0.7
315.18033	23.1
316.18381	0.4
327.17615	0.6
329.19046	0.5
343.75446	0.2
373.21606	0.7
419.24283	22.1
420.24359	0.5
477.28998	0.2
523.30603	2.4
545.33777	0.3
647.06732	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.5
54.24325	2.4
54.70784	2.4
55.01864	7.0
57.03417	4.0
57.07351	2.5
59.37162	2.5
61.02926	4.7
68.99788	5.2
69.03439	15.5
71.40822	4.8
73.02912	6.0
79.05493	5.3
81.03432	14.0
85.02914	45.7
87.00817	16.0
91.05486	14.7
95.04957	4.8
97.02891	21.2
97.06530	18.8
99.04480	5.8
103.03959	11.9
103.05455	19.8
105.01880	11.1
105.07030	9.8
106.57702	2.4
107.04960	17.3
109.02865	18.5
115.05447	5.0
117.06992	4.4
119.04942	7.8
121.06529	6.1
122.03677	3.9
127.03931	25.3
129.01880	7.6
129.07030	6.8
131.04929	38.9
133.02879	6.3
133.06525	4.6
135.08093	5.0
136.06207	9.4
137.05981	80.3
140.19356	2.6
141.07002	5.3
143.04948	3.0
144.05745	3.2
145.02895	2.6
145.04951	9.5
145.06461	6.8
146.03665	3.2
147.02856	3.5
147.04445	8.1
148.05202	2.9
149.05997	11.4
151.03912	7.6
151.07550	25.5
157.06560	5.8
159.02884	4.8
159.04414	7.4
159.07938	2.3
160.05200	4.3
161.05983	63.9
161.07271	4.8
161.09592	13.2
162.06799	6.7
163.03969	5.9
163.07544	69.8
169.06558	5.8
171.08044	3.1
174.06699	4.5
175.07541	16.8
176.04720	5.6
177.05479	9.8
177.07794	3.6
177.09143	4.3
179.07056	4.7
179.10692	4.0
181.08649	9.2
183.76016	3.1
187.07578	12.2
189.03975	14.5
189.09099	36.8
190.06343	2.6
191.07036	100.0
195.08061	5.8
195.09964	2.7
197.05997	9.4
201.09033	5.3
203.07030	30.7
205.08672	7.7
207.10182	63.7
211.07637	3.6
215.07074	11.8
217.08563	4.3
219.10115	3.7
223.07587	5.1
227.07202	3.6
227.10721	4.5
229.08600	23.2
233.08080	33.9
233.11661	16.6
247.09727	7.5
249.11296	5.7
250.14397	17.0
255.09973	3.9
257.08044	24.5
264.16031	4.9
273.11148	6.0
275.09164	14.1
285.11215	4.9
287.12769	10.0
291.12283	3.7
293.10486	4.6
297.11139	3.8
311.12738	7.6
313.14371	10.8
331.15405	31.4
343.15329	6.3
355.15463	7.9
361.09229	6.9
361.14111	2.4
379.10287	28.3
397.11169	2.6
421.16272	4.0
501.85004	2.7
644.19427	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3479
Annotation	12beta-acetoxyhuratoxin
Peak:m/z	Relative Intensity
53.03937	0.3
55.01850	0.3
55.05511	2.1
56.05035	1.5
57.07069	0.6
59.05009	1.9
61.02896	0.5
63.02358	0.4
65.03923	0.4
67.05507	8.1
69.07065	2.8
71.05001	2.0
72.72353	0.2
72.87140	0.3
79.05161	0.3
79.05501	3.3
81.07059	10.7
83.08633	2.6
84.08115	1.2
85.02897	0.4
85.06533	1.3
86.09704	0.3
89.03413	0.4
89.03915	4.5
89.62778	0.3
91.05469	0.8
93.07040	3.7
95.04969	0.5
95.08611	9.9
96.80991	0.3
97.06549	0.3
97.10172	1.2
99.08112	0.5
103.07571	0.4
105.07031	0.4
106.06581	0.4
107.04949	1.8
107.08605	2.3
109.10159	5.5
111.08092	0.3
111.11726	0.5
117.03380	6.1
117.06979	0.3
119.08555	0.5
121.10152	4.2
123.04389	0.3
123.11684	2.1
125.09512	0.3
127.08688	2.5
131.08585	0.2
133.10094	0.4
135.04419	13.0
135.11694	3.3
137.02391	0.6
137.13255	1.1
145.02850	10.5
145.04001	0.6
146.03104	0.2
147.04446	0.3
147.11676	0.3
149.13278	1.7
151.14845	1.0
157.10133	0.3
161.05978	0.4
163.03902	100.0
163.14793	0.7
164.04251	1.0
165.05533	0.4
165.16391	0.8
169.13373	1.2
179.17921	0.3
181.04973	2.0
233.04567	0.5
245.15387	0.3
246.12294	0.6
247.24231	2.4
254.10127	0.3
255.06622	0.4
265.04794	0.3
265.25250	1.4
283.06039	0.9
283.26273	2.9
288.17020	2.4
289.17267	0.7
290.17731	0.4
323.70554	0.2
325.07135	0.5
398.58716	0.2
401.41003	0.2
445.29501	0.8
631.54608	0.3
665.65143	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64389	1.0
55.05529	2.2
57.03439	2.7
57.07067	3.0
58.06606	10.1
58.25647	0.9
59.04993	4.7
59.07388	1.1
59.65239	0.9
60.08158	2.6
67.05511	8.9
69.07065	2.9
71.08624	2.0
71.14431	0.9
79.05495	6.4
81.07065	9.0
83.08611	2.2
85.06535	1.1
85.10188	2.1
87.04462	2.1
89.06012	1.4
91.05490	5.4
93.07027	5.7
95.05006	3.0
95.08622	5.9
97.06519	1.7
97.10149	1.7
97.13808	0.9
98.20729	2.0
105.07018	6.5
107.08569	3.0
109.06550	2.0
109.10146	1.8
113.06013	1.4
115.05571	1.3
117.06973	1.2
117.09163	1.2
119.08575	3.2
120.08135	1.7
120.67487	1.0
121.06511	1.2
121.10128	1.9
123.09182	1.1
131.08504	1.5
132.08119	1.7
133.07614	1.5
133.10126	2.3
135.08078	1.7
135.11684	1.5
144.08095	1.5
144.10226	3.3
145.10176	1.8
151.11139	1.2
159.09224	1.4
159.11705	1.4
162.11282	1.1
164.10727	2.4
181.95897	0.9
203.11844	1.5
209.10800	1.3
211.12254	1.3
222.11508	1.2
223.12312	3.3
224.13095	1.5
225.13887	1.9
227.12407	1.2
229.46313	1.5
229.48219	1.2
233.10660	1.4
235.12271	3.1
236.12830	1.8
236.14972	20.8
237.15228	3.7
238.14952	1.7
247.12424	1.6
249.10263	1.5
249.13896	2.2
260.11600	1.7
261.13858	1.4
262.13538	1.6
263.11823	1.1
272.11932	1.2
273.13669	1.0
273.18552	2.1
274.13385	2.2
276.14957	2.3
287.15430	1.1
288.11304	1.2
288.15030	1.6
290.16507	1.7
291.19632	4.9
295.18076	1.9
297.12469	2.0
297.16022	1.3
302.12729	1.9
304.14621	1.9
314.16577	2.9
316.14499	1.7
317.15500	1.3
318.16135	3.7
325.15762	1.7
326.16617	2.5
328.18112	1.4
331.16742	1.3
332.17523	2.9
335.13589	1.4
335.25824	4.1
337.15033	2.0
339.17041	2.5
340.17993	1.4
344.17120	1.1
348.17133	1.7
349.15182	1.8
350.16733	1.5
351.16177	1.9
352.17496	2.4
353.17941	1.9
354.19482	2.7
364.17877	1.8
365.17740	3.1
365.22955	1.4
366.19159	2.7
367.19318	5.9
376.17273	1.4
377.17868	1.3
378.19421	2.4
379.19400	2.9
381.21570	5.2
383.22513	1.3
391.19650	1.1
392.17157	2.4
393.17004	3.2
393.21481	1.5
394.17859	2.0
395.18607	4.8
400.19836	2.1
404.16846	1.2
405.27432	1.2
406.18942	2.2
407.18640	2.6
408.19437	4.3
409.20160	10.4
410.20895	3.5
415.23138	1.1
416.23383	1.5
420.15472	1.5
420.20563	1.8
421.20404	3.1
422.21338	1.5
423.22079	8.4
424.22491	2.6
425.23758	2.7
435.22009	2.2
436.19080	3.4
437.18750	1.7
437.23660	3.2
439.21118	2.0
443.21881	7.9
449.19916	1.4
451.21268	3.3
452.22421	3.5
453.22775	3.4
454.20828	2.4
455.23373	1.2
456.36710	1.5
461.23590	2.0
465.22195	4.1
466.21072	2.2
467.20450	1.8
467.25793	1.3
469.25751	4.7
470.26718	1.3
474.37854	2.6
479.23920	4.6
480.24753	2.1
481.22375	9.0
483.23984	2.0
484.24506	1.5
493.22345	2.5
494.23560	3.7
495.27249	4.0
496.24890	11.1
497.25537	13.4
503.24188	4.1
507.23663	2.3
509.21567	2.1
510.26382	1.6
511.27444	11.4
512.27960	8.3
513.24524	1.4
521.25409	1.5
522.23663	2.7
523.23785	3.3
524.24207	5.1
527.25562	2.4
539.26770	38.0
540.26599	1.8
541.23987	2.4
551.23370	2.0
555.26605	2.0
556.26630	2.9
557.27753	5.3
565.23969	1.5
567.26129	31.1
571.28192	3.3
581.27594	8.7
582.25726	3.8
583.25690	7.0
597.26801	2.2
599.28717	100.0
600.28009	4.8
601.26642	11.7
611.25061	13.7
624.48248	1.6
625.26599	6.2
625.45001	3.3
642.49426	12.7
643.27692	13.1
643.50104	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	642.5308
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71879	2.3
55.05511	11.3
57.03434	6.0
57.07080	27.9
59.04996	3.4
67.05506	33.1
69.07067	11.8
71.08633	24.7
71.48974	3.1
79.05501	24.4
81.03435	2.6
81.07063	33.5
83.04990	5.9
83.08630	14.0
85.10187	13.2
86.60719	2.2
89.06020	3.8
91.05481	16.0
93.07069	22.2
95.04970	4.3
95.08614	28.9
97.06541	4.6
97.10197	3.5
99.08113	4.1
105.07045	9.4
107.08585	9.1
109.10156	10.4
111.08072	2.8
117.07039	6.0
119.08570	4.8
121.10162	9.7
123.11688	5.0
131.08600	6.1
135.11691	4.1
145.09988	2.6
147.11639	3.3
147.65997	2.5
149.13264	7.0
151.11269	4.8
159.11705	5.3
195.13782	6.1
208.62488	2.3
239.23732	3.8
250.45694	2.4
269.17532	11.2
275.24741	2.7
277.21649	8.1
293.96494	2.5
313.27322	29.9
351.25311	8.9
507.40500	100.0
531.40332	9.0
645.39880	2.5
645.96484	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	643.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04568	0.3
78.30166	0.3
79.05420	0.5
81.07011	0.3
94.02185	0.3
96.88730	0.3
98.20751	0.8
103.03891	0.7
105.06956	0.8
106.07329	0.5
161.77914	0.3
182.12239	0.3
396.12250	1.2
397.13141	2.3
398.14090	0.9
399.14349	0.6
409.13190	0.7
410.13873	2.5
411.14563	6.7
412.15201	3.4
413.16193	2.1
423.15329	1.5
424.10843	1.1
424.16254	2.6
425.16299	12.6
426.11478	0.5
426.16943	9.0
427.17599	2.4
428.18542	1.8
437.11652	0.6
437.16681	0.8
438.13159	3.2
439.13565	14.0
440.13599	0.9
440.19083	5.0
441.19305	35.2
442.19800	2.3
451.13904	0.9
452.14392	3.9
453.15338	17.5
454.15833	4.7
457.15268	0.4
463.14133	1.1
465.15485	0.9
466.11920	0.7
466.17401	0.6
467.17184	25.9
468.17923	15.5
469.18811	12.7
470.19022	1.0
471.16425	0.7
472.17224	0.6
478.15930	0.8
480.18268	0.5
481.14706	14.1
482.15295	3.9
483.15756	0.5
485.18640	0.7
486.19128	0.7
490.70764	0.3
495.15894	3.5
496.17072	19.5
497.17810	2.7
498.18784	0.4
499.19623	1.1
508.18359	0.6
509.18381	2.5
510.18643	0.6
512.20563	1.4
513.21558	0.6
514.22559	2.8
523.19867	1.7
525.17615	0.5
526.18719	0.3
527.23444	3.1
528.24023	0.5
539.18744	0.4
540.19794	0.9
542.21606	0.6
555.22437	33.2
556.22815	1.9
568.19440	0.7
571.08252	0.3
573.23669	0.5
583.21912	100.0
584.22235	6.7
586.20844	0.4
587.24988	2.3
600.37219	0.3
611.21216	2.0
614.23602	1.0
615.24481	12.9
616.25201	0.6
643.23889	67.2
644.24207	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	642.5156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00255	0.4
55.05512	2.7
57.03396	0.4
57.07079	32.4
59.04999	3.3
61.18674	0.4
69.07072	4.2
70.11115	1.3
70.52486	0.4
71.08636	30.5
73.02943	0.5
73.06174	0.7
73.06557	7.7
74.09724	0.4
79.05507	0.9
81.07059	1.3
82.29151	0.4
83.08630	5.4
85.09663	0.7
85.10189	20.2
87.04472	8.7
89.06035	100.0
91.05471	0.7
91.07612	1.6
93.07041	0.7
95.08589	1.0
97.10178	5.9
99.11710	2.7
107.07072	1.9
107.08645	0.5
109.10158	0.6
111.11740	3.2
113.13276	2.2
115.86340	0.4
117.09142	6.6
125.13283	2.1
127.14861	1.3
130.08647	2.0
131.07077	2.5
133.08614	51.1
135.10176	1.5
136.07581	1.3
141.16423	1.2
153.16420	0.6
155.17992	0.9
161.11757	1.9
175.09650	1.2
177.11240	19.7
179.12918	0.5
211.24239	2.3
221.13835	4.7
239.14957	0.6
255.26907	1.9
265.16550	1.2
283.17429	0.9
299.29456	6.4
309.19211	0.6
322.56961	0.4
327.20291	1.0
343.32159	2.9
371.22855	0.9
384.29636	0.5
411.31589	0.5
415.25342	3.5
625.48969	4.6
642.51587	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	642.239
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43808	1.4
53.03951	3.0
55.01869	4.1
57.03426	2.7
58.28812	1.3
59.39096	1.3
61.02904	1.9
69.03432	12.7
70.94035	4.3
71.04964	2.0
73.02907	3.1
73.33244	1.3
75.99339	1.4
79.05493	3.0
81.03430	12.6
85.02907	28.7
85.13637	1.5
87.00819	10.5
91.05474	4.1
94.04210	1.7
95.04976	1.5
97.02901	15.9
97.06525	11.3
99.04458	6.4
101.40992	1.6
105.01853	10.5
109.02885	14.5
115.05458	3.0
117.07038	1.6
119.04901	1.8
122.03651	5.1
125.05978	1.8
127.03915	24.6
129.01828	2.3
129.07014	4.4
131.04926	4.0
133.56725	1.5
137.05980	100.0
138.06364	1.8
141.06953	1.5
143.04956	3.6
145.04967	10.9
145.06493	2.1
147.04428	3.2
148.04970	1.8
149.05981	4.1
151.03902	2.7
151.07533	3.9
153.05458	1.9
157.05307	1.7
157.06519	6.0
159.02905	8.4
160.05263	7.1
161.05957	2.0
163.04021	1.8
163.07542	3.8
172.05138	2.4
174.06781	6.5
175.07549	55.2
177.05435	1.8
177.07797	7.2
179.07117	1.7
187.07555	50.6
189.09103	21.1
191.07025	2.2
199.07590	3.5
201.09090	3.4
203.08612	3.3
205.08606	10.8
211.07622	3.2
217.08580	15.4
219.08119	4.5
220.08896	2.3
231.05002	4.3
231.08121	6.9
233.06206	1.6
233.11713	11.8
235.09601	13.5
236.08319	1.5
239.06964	2.9
240.07869	2.1
247.07542	4.4
248.08289	6.0
250.14397	13.2
251.10709	4.0
253.08676	2.2
255.06445	2.3
259.07547	1.9
261.09241	2.6
263.10648	7.0
264.16019	2.6
265.08521	3.2
270.08868	3.5
271.09622	10.8
276.07880	4.2
277.08630	3.3
279.07538	1.5
279.10156	8.3
281.08276	2.4
291.10135	15.9
292.10883	2.4
293.08130	3.4
296.10498	5.6
308.10400	1.7
309.11490	1.8
311.12759	15.8
313.14429	1.9
323.12762	26.4
325.14365	5.6
341.13840	87.8
418.22159	2.9
494.06433	1.4
580.27063	2.7
624.29700	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	10.2
55.01882	3.7
57.03431	4.8
61.02908	4.6
62.76902	2.4
68.99796	4.2
69.03439	25.3
70.15128	12.0
71.05000	4.1
73.02299	2.9
73.02907	5.6
79.05505	6.9
81.03423	18.4
81.07067	2.8
85.02911	58.4
87.00838	20.8
90.22268	2.7
91.05482	33.0
93.07051	3.3
94.04204	3.1
95.04939	3.1
97.02905	17.9
97.06525	8.6
99.04451	7.7
101.67017	2.7
103.03973	8.6
103.05460	35.9
105.01859	11.7
105.03391	4.6
105.07037	31.3
107.04277	3.0
107.04955	4.0
109.02894	22.1
109.06525	5.9
115.05442	7.4
117.01888	3.4
117.43642	2.6
119.04951	43.3
119.08568	3.0
121.06512	2.9
122.03650	3.3
127.03910	37.0
129.01875	3.7
129.07065	3.1
131.04941	73.6
133.02856	55.5
133.06483	33.6
137.05978	67.0
141.07037	3.8
145.04971	12.4
145.06525	3.1
147.02834	5.1
147.04430	11.6
147.08047	4.2
147.39592	3.0
149.05943	3.4
151.07521	16.1
157.06523	4.4
159.02934	9.5
159.04378	6.1
159.08107	4.6
161.05989	100.0
163.07530	38.4
165.05490	18.9
175.07536	12.5
179.07092	15.2
187.07578	20.2
189.03896	14.1
189.09166	3.6
191.07039	38.1
191.08621	5.9
197.06049	3.8
203.07042	13.5
205.08652	3.9
217.08495	3.7
229.08614	9.3
231.05013	6.8
233.08089	9.8
233.11752	8.2
250.14526	6.3
251.10672	3.2
257.08133	7.2
275.09277	5.1
281.08411	3.0
291.10196	3.5
294.44830	3.2
309.11252	7.6
311.12848	15.6
321.87317	3.0
323.12820	5.8
341.13885	3.6
379.09952	3.1
655.76965	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	642.239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.5
55.01854	4.1
61.02920	1.3
69.03436	8.3
71.04967	2.5
71.49196	2.4
73.02914	2.5
81.03429	9.5
85.02902	21.3
87.00816	6.9
89.99749	1.8
90.60632	1.5
91.05470	3.9
93.03393	1.5
97.02867	6.7
99.04426	2.1
103.05450	8.1
105.01845	5.1
105.07043	3.5
107.04899	1.7
109.02861	8.3
109.06505	3.0
113.86268	1.6
115.05465	1.7
119.04932	3.0
122.03632	5.1
125.02406	1.5
127.03899	16.2
128.06215	2.2
129.01814	1.6
129.07008	12.4
131.04929	13.7
133.02835	4.6
133.06459	3.0
137.05977	100.0
143.04874	3.7
145.04945	6.6
145.06462	2.6
146.03629	1.6
147.04364	3.3
149.05939	2.4
151.03873	3.0
151.07538	5.0
153.05444	4.3
157.06490	11.1
159.02901	5.5
160.05161	6.2
161.05988	14.3
163.07527	8.5
165.05495	2.9
172.05147	3.1
174.06787	3.2
175.07561	37.0
177.05453	2.4
179.07028	3.3
187.07556	42.3
188.08121	1.7
189.09096	16.3
191.07053	3.4
199.07640	3.7
201.09221	2.4
203.08586	3.8
205.06732	1.7
205.08615	6.0
211.07436	1.9
217.08546	13.1
219.08080	3.6
227.07013	2.2
229.08438	2.7
231.05061	3.4
231.08043	5.0
232.13255	3.6
233.11748	1.9
235.09586	3.7
239.06958	1.5
240.07887	2.9
247.07617	3.4
248.08336	3.8
250.14317	2.2
251.10811	2.5
255.06619	2.8
260.08414	2.2
263.10635	4.4
265.08646	3.6
270.08804	3.7
271.09732	10.1
276.07852	2.7
277.08737	2.1
279.10104	4.8
281.08136	2.5
283.09720	2.0
291.10153	12.1
296.10394	3.4
304.48062	1.5
309.11209	2.0
311.12756	23.3
313.13974	1.5
323.12756	20.5
325.14203	4.9
329.13583	2.3
341.09961	2.7
341.13849	38.5
359.14520	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	641.2971
Annotation	Scortechinone S
Peak:m/z	Relative Intensity
53.03956	0.6
55.05501	1.4
59.04992	1.6
64.88608	0.5
67.05499	2.9
69.07058	0.9
69.43762	3.5
69.93151	0.6
72.33308	0.6
79.05505	2.7
81.03416	0.7
81.07067	3.1
83.04980	0.9
85.06540	0.7
87.59764	0.6
91.05488	2.0
93.07046	2.8
95.04974	1.0
95.08609	1.5
97.10164	0.7
98.21591	1.2
105.07053	3.0
107.08584	0.7
109.06532	0.7
109.10145	0.8
118.06486	0.8
119.08572	1.2
121.10118	0.7
131.08580	1.2
133.10182	0.9
145.10101	1.2
147.11716	1.0
185.10770	0.9
196.09949	1.0
209.10748	1.2
211.12317	1.1
212.12953	0.7
223.12279	1.2
224.13115	1.2
225.13895	2.5
227.11870	1.6
237.13757	1.0
238.14703	0.7
239.11823	0.6
239.15494	1.6
251.15633	1.0
281.12735	0.7
289.17932	1.1
298.13419	0.9
300.15186	0.9
306.16074	0.7
313.15732	1.1
316.14496	1.0
318.15985	1.2
319.16733	1.2
332.17453	1.1
333.18298	0.8
334.19302	0.8
341.16171	0.7
344.17633	0.7
346.19171	0.9
347.19760	0.8
354.12238	0.9
360.17126	0.9
370.15491	0.8
384.17279	1.9
389.18048	0.7
391.19470	1.3
392.19888	2.8
393.20709	0.9
401.18079	1.3
403.19189	3.0
404.20230	1.7
405.20993	1.8
406.21313	4.3
407.22147	5.0
412.16544	2.8
415.19278	2.4
416.20020	2.2
417.20758	5.7
418.21463	2.7
419.22601	3.0
420.23010	1.5
421.23618	5.2
422.24481	7.6
427.19135	1.8
429.20987	2.6
430.21622	2.3
431.22891	3.8
432.23398	1.0
433.24222	5.7
434.24573	5.9
435.21866	1.0
443.23056	1.4
444.19278	2.4
444.24197	1.1
445.19147	1.1
445.24994	3.4
446.24857	1.4
447.25937	1.1
448.18945	0.8
449.23425	1.7
455.18466	0.8
457.23779	0.9
458.20496	1.0
459.20981	4.2
460.22638	2.5
461.19391	1.3
462.20474	4.1
463.21289	4.7
472.22687	1.1
473.23618	3.9
474.24182	2.1
474.80817	0.6
475.21228	4.7
476.21927	1.7
477.22879	15.3
485.23181	1.3
487.25302	6.2
489.23303	1.8
490.23688	0.9
491.24515	5.5
504.25134	1.0
505.26297	3.1
506.27048	3.6
515.24829	1.6
517.22253	1.2
518.23364	1.1
519.27588	2.8
523.27216	0.8
531.23975	0.9
532.24866	1.7
535.22998	3.2
545.25458	9.4
546.25720	1.1
547.27063	16.4
549.24951	13.2
550.25775	17.4
563.26184	3.3
564.27307	2.8
565.28339	1.2
566.24860	0.8
577.28027	1.2
579.29633	10.1
581.27264	1.9
591.25995	14.2
594.24091	1.0
605.27612	21.9
609.27112	13.2
623.28632	100.0
624.29163	3.1
626.26752	1.6
641.29559	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	641.2972
Annotation	Moluccensin F
Peak:m/z	Relative Intensity
55.05521	0.8
57.64955	0.6
57.88599	0.6
58.98733	0.6
60.00006	0.7
67.05518	1.3
69.07070	1.1
69.30234	4.4
73.11546	0.6
79.05498	1.7
81.07059	2.2
85.06522	0.7
95.08616	1.4
97.06558	1.3
105.07062	1.3
107.08595	0.8
108.08134	0.8
120.08115	0.7
144.08144	1.0
158.09697	0.7
169.50690	0.6
170.09706	0.7
172.49281	0.6
185.10843	1.0
188.03490	1.0
196.09845	0.9
197.10811	1.6
198.11377	0.8
199.23286	0.7
207.09073	0.7
209.10957	0.8
211.12433	3.0
212.13092	1.0
223.12358	2.2
225.13860	3.0
227.11844	1.8
235.12552	0.7
237.13857	2.4
238.14740	1.8
239.11774	1.2
239.15529	2.1
249.14066	0.9
251.15382	1.1
261.14203	0.6
262.13568	1.3
263.15610	0.9
275.14743	0.7
275.20135	1.0
281.12921	1.4
287.15240	1.1
289.17258	0.7
290.16711	1.8
292.18100	1.3
299.15091	1.0
300.15005	1.0
303.15118	0.9
304.14618	1.2
304.18109	1.1
305.19034	1.2
306.16080	0.9
307.10693	1.2
312.14981	0.7
313.15665	2.0
314.16745	1.1
318.16110	1.2
319.16779	1.0
330.16232	1.3
331.17572	1.2
332.17673	1.2
333.18564	0.7
334.19388	1.2
342.16367	1.0
344.17816	1.7
345.18344	1.1
346.19113	0.8
360.21060	0.7
369.14536	0.9
375.19666	1.7
377.17905	1.0
378.18256	1.5
384.17093	3.1
390.21890	0.9
391.19067	1.7
392.19962	2.8
393.20712	2.8
403.19296	1.6
404.19836	1.1
405.20963	2.3
406.21521	5.2
407.22165	7.0
408.22809	1.4
412.16599	3.3
415.19528	1.4
416.20212	0.9
417.21255	1.3
419.22525	3.2
420.22855	2.7
421.23804	7.3
422.24445	8.9
426.18015	1.5
427.19162	1.7
428.19809	1.5
429.21484	1.5
431.22534	1.2
433.16241	0.9
433.24023	2.0
434.18326	1.5
434.24554	9.1
435.21750	1.4
444.18805	5.0
445.24658	1.1
449.23297	2.0
459.21927	2.8
460.22818	1.0
461.18948	1.3
462.20609	2.5
463.21191	10.1
473.23700	1.2
474.24561	1.1
475.21451	5.1
476.21042	1.5
477.23145	6.0
479.24780	1.1
485.23563	1.2
487.25104	2.7
489.22827	1.3
491.24472	3.6
494.27075	2.7
495.27609	2.3
508.22617	2.2
517.22192	1.4
518.23969	0.8
519.27490	1.5
520.21185	2.0
521.25543	1.1
523.27338	1.8
531.23718	1.4
532.25037	0.9
534.22125	1.6
535.26709	1.4
545.25488	9.5
546.25323	0.9
547.20660	0.8
547.27313	8.3
548.24481	0.9
549.25006	18.5
550.25763	5.5
559.23285	1.1
561.21429	1.7
563.26617	7.4
564.27325	1.2
565.27917	1.9
566.25006	0.8
576.23639	1.8
577.24207	0.9
579.29730	2.6
581.27747	1.2
591.26086	52.0
592.26440	1.4
605.27454	5.8
608.26379	1.1
609.27173	18.3
623.28699	100.0
624.28607	3.4
626.26678	1.3
628.97552	0.6
641.29749	14.8
641.40967	0.9
641.44940	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2968
Annotation	Crooksiine
Peak:m/z	Relative Intensity
50.55979	0.3
55.05507	0.5
67.05503	1.9
68.05836	0.3
69.07086	0.4
71.48962	0.3
73.43256	0.3
74.37785	0.3
79.05499	1.4
80.69354	0.3
81.07074	2.8
83.04979	0.3
83.08630	0.4
91.05475	1.7
93.07050	1.6
95.08620	1.2
97.06524	0.4
97.10162	0.3
105.07050	1.2
107.04977	0.5
107.08588	0.5
115.57127	0.3
119.04930	0.9
119.08591	0.7
121.10156	1.8
121.58080	0.3
122.10521	0.3
126.98354	0.3
133.10124	0.7
135.04431	0.5
135.11737	1.0
143.93747	0.3
145.02963	0.4
147.04399	3.1
147.11707	0.9
148.04774	1.0
148.12059	0.4
151.28047	0.3
161.13297	1.1
162.13620	0.5
163.03902	2.4
164.04286	1.0
164.15248	0.3
165.05482	0.7
179.14397	0.4
181.04958	0.4
184.07446	0.3
243.20975	0.4
261.22159	0.5
262.22443	0.8
275.20038	0.4
314.13229	0.4
328.14578	0.3
377.17572	1.0
378.17923	0.3
379.19144	0.8
390.18311	0.7
391.15051	0.5
391.19363	1.3
392.19946	1.0
393.20941	1.8
395.22464	0.7
405.16647	2.3
405.21616	0.5
406.17288	1.4
407.17776	0.4
407.22644	4.5
408.23245	0.9
418.17526	0.5
419.18433	2.9
420.18942	1.9
421.20132	5.4
423.21829	0.9
433.20480	5.1
434.21283	4.4
435.21985	7.2
436.22690	1.3
447.22891	1.5
448.22849	0.6
449.19629	8.9
450.20755	0.6
453.22885	0.5
459.21371	0.4
461.23853	0.5
462.20450	0.6
463.21121	3.2
464.22025	2.0
465.19022	0.7
467.24792	0.8
468.25162	0.4
476.22043	0.6
477.22977	0.8
479.21066	1.0
480.21103	0.7
481.22128	1.7
493.21686	2.9
494.23111	3.2
495.23938	3.4
507.24231	2.0
508.24643	0.4
509.25757	0.5
521.25769	9.9
522.25800	0.5
523.26935	1.1
526.25519	0.4
535.23462	0.5
539.23248	1.3
549.24646	1.0
551.26392	0.6
553.26483	0.6
563.26416	1.0
567.25616	0.5
581.27661	19.2
582.27948	0.9
609.26984	0.6
610.27661	0.5
641.29688	100.0
642.29407	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	641.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09408	0.4
55.05484	0.6
59.04984	0.5
67.05473	0.6
69.03411	0.6
69.07028	0.6
71.49026	0.6
77.73700	0.4
79.05441	0.6
81.03372	1.4
81.07016	1.2
85.02879	0.7
91.05400	0.4
95.08595	0.7
97.06462	0.6
99.04385	0.5
105.07023	0.5
109.10129	1.0
118.23977	0.4
127.03906	1.1
135.11615	0.6
145.04935	0.5
158.05754	1.2
159.06474	0.6
173.11780	0.7
186.05264	12.1
203.07898	0.7
204.06218	1.0
212.06787	0.4
285.08484	4.9
311.06213	0.7
313.07941	0.5
328.09918	0.6
363.12149	0.6
376.12463	0.6
418.13617	3.1
420.14890	0.6
430.13837	0.9
448.14813	69.4
449.15073	2.1
461.16711	0.5
478.19208	0.7
490.15680	1.0
491.16650	15.9
492.17566	2.2
504.17493	1.3
595.25385	2.1
623.24567	3.3
641.25812	100.0
642.25909	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	640.5148
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54283	3.7
53.03937	6.1
55.01893	3.8
55.05513	27.5
57.03444	23.3
57.06830	5.0
57.07078	62.5
59.04979	5.3
63.83026	3.9
65.03933	5.9
67.05505	78.9
69.07079	35.1
71.05009	4.6
71.08640	43.6
71.49252	4.4
71.49714	4.5
77.35368	3.4
79.05495	49.6
81.03419	6.1
81.07054	85.6
83.04996	7.6
83.08623	29.6
85.10182	23.0
89.06014	11.2
91.05488	55.2
93.07046	58.5
95.04977	9.5
95.08612	61.4
97.06519	12.2
97.10159	9.9
105.07047	36.8
107.04961	7.9
107.08614	26.6
109.06517	7.9
109.10142	29.9
111.11764	4.8
117.07034	19.6
119.08585	30.8
121.10168	25.6
123.11686	8.9
125.77206	4.1
129.07021	10.6
131.08560	20.5
133.10130	23.4
135.08043	5.2
135.11662	16.8
143.08548	7.0
145.10127	12.5
147.11688	12.6
149.09563	7.5
149.13235	11.0
157.10138	6.1
159.11703	15.0
171.11726	6.2
173.13258	5.3
216.06694	4.2
239.17827	5.2
255.15900	12.0
257.19009	7.9
269.17474	25.4
272.62793	4.3
275.20056	32.3
278.08969	4.2
309.20590	8.3
313.27374	100.0
343.16940	4.1
349.23651	18.7
381.09875	5.1
493.39194	20.8
495.18942	5.5
507.33459	5.7
507.40503	83.0
547.43701	22.1
587.46198	11.4
641.24847	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	640.4784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75290	0.6
55.01861	0.8
55.05515	2.1
57.03446	4.6
57.07075	4.5
58.06315	1.6
58.06606	30.9
59.07388	7.7
60.08169	7.6
67.05515	3.6
68.89095	0.8
69.07091	1.3
69.51256	0.6
71.08634	2.3
71.49380	1.1
75.04494	1.8
79.05511	5.3
81.03441	0.9
81.07070	2.5
83.05005	1.1
83.08636	1.0
85.02916	2.0
85.10192	1.5
87.04472	4.2
89.06036	0.7
91.05493	3.0
93.07038	3.4
95.04996	0.7
95.08628	2.9
97.06518	0.8
101.06033	0.6
102.05581	1.1
103.03981	0.9
105.07047	5.3
107.08622	1.6
109.10184	0.9
112.20186	0.7
113.05984	1.3
119.08629	1.2
121.10170	1.4
131.07097	2.1
131.08609	1.9
133.10136	0.7
144.10216	14.2
162.11304	4.0
218.13962	1.0
219.17458	1.4
236.14944	80.2
313.27438	1.1
366.22931	1.3
369.29965	1.0
384.23843	4.7
402.24930	4.5
412.37997	1.0
456.36874	5.7
474.37906	13.9
537.24341	0.8
565.23633	0.7
569.26160	0.8
597.26984	2.0
622.46967	6.8
640.47919	100.0
641.48505	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	640.4781
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79038	0.6
51.26674	0.6
53.03926	0.6
55.05501	1.9
57.03445	4.2
57.07078	4.4
57.22470	0.6
58.06604	32.7
59.05001	3.0
59.07384	8.8
59.34045	0.7
60.08167	8.2
63.81263	0.6
67.05511	3.1
69.07076	1.1
70.63035	0.6
71.08632	2.2
73.02932	1.1
75.04478	2.1
79.05495	5.7
81.07059	2.5
83.04968	1.2
83.08656	1.0
84.08123	0.6
85.02907	2.3
85.10197	1.3
87.04479	2.9
89.06054	1.5
91.05499	3.3
93.07058	3.8
95.04951	0.9
95.08610	2.3
101.06066	1.1
103.03934	0.8
105.07040	5.8
107.08587	2.0
109.10164	1.0
113.05988	0.9
117.09163	0.9
121.10169	1.6
129.05525	0.8
131.07091	0.8
131.08595	1.8
137.40355	0.6
144.10207	11.9
149.09619	1.0
162.11266	4.0
212.46063	0.6
216.71745	0.7
219.17564	1.5
220.17766	0.9
236.14941	73.1
237.15279	0.7
313.27496	1.1
322.54852	0.7
366.22748	1.6
372.55344	0.7
384.23831	4.6
402.24817	4.7
412.38251	1.1
456.37048	5.3
474.37973	13.1
597.26794	2.2
598.27399	0.9
622.46722	5.6
640.47906	100.0
641.48413	3.6
648.86835	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58500	0.7
53.03932	1.8
55.05510	4.8
56.14870	0.8
56.71458	1.0
65.03956	1.8
67.05505	35.3
69.07068	5.8
69.95687	1.8
69.96097	3.0
71.04977	0.8
79.05495	24.8
80.78516	0.8
81.07056	39.4
81.07537	1.9
83.08632	6.0
85.06542	3.7
89.03914	4.6
91.05481	24.2
93.07044	17.7
95.04958	1.5
95.08606	29.5
97.06532	2.6
97.10159	1.3
99.08092	2.4
105.07032	12.5
105.07686	1.2
107.04970	1.2
107.08606	10.6
109.10158	5.6
109.69557	0.8
111.08098	3.0
117.03377	7.1
119.04948	21.8
119.08585	11.3
121.10146	31.1
123.04382	0.9
123.11739	3.8
125.09605	1.6
131.08540	1.0
133.10147	11.8
135.04410	15.5
135.11696	19.0
137.13287	1.8
139.11215	1.0
141.11523	0.8
145.02834	11.8
145.10112	1.0
147.04413	100.0
147.11688	20.0
148.04776	1.1
149.13242	7.4
159.11682	1.4
161.13260	32.4
163.03906	91.5
163.14803	9.0
165.05476	25.7
165.12746	4.2
175.14844	8.6
177.16417	1.8
179.14348	5.0
181.04971	17.9
187.14813	1.1
243.21092	17.9
243.23384	1.3
255.41182	0.9
261.22147	34.5
279.23108	4.1
309.07779	1.2
403.70782	0.9
432.19321	1.1
466.44391	0.9
475.20786	1.2
493.22247	1.6
640.29010	9.1
641.29956	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	640.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12466	0.8
55.01871	0.9
55.05512	5.7
62.48277	0.7
65.03935	3.0
67.05509	37.5
69.07068	6.8
71.04989	1.2
71.49466	1.0
72.74178	0.8
79.05495	29.5
81.07059	44.2
81.98773	0.8
82.52888	0.9
83.08630	6.1
85.06536	3.0
88.25690	0.8
89.03912	5.6
89.06026	1.9
91.05480	26.7
93.07047	23.7
95.04954	2.5
95.08609	33.6
97.06529	3.2
97.10172	1.3
99.08093	3.0
105.07037	16.8
107.04960	2.5
107.08602	12.1
109.06548	1.5
109.10174	7.8
111.08072	3.7
117.03389	7.4
117.06985	1.6
118.23074	0.8
119.04951	24.0
119.08598	13.4
121.10148	32.7
123.11716	3.2
125.09628	2.7
131.08600	2.1
133.08615	1.1
133.10144	12.6
135.04424	15.5
135.11699	23.1
139.11203	1.2
143.08623	1.0
145.02864	10.3
145.03900	1.3
145.10161	1.6
147.04414	100.0
147.11691	24.1
148.04784	1.3
149.02351	4.0
149.13269	7.7
150.02669	2.0
159.11682	2.2
161.13268	34.4
163.03911	75.1
163.14830	7.2
165.05492	22.1
165.12782	2.7
165.81551	1.0
173.13248	1.1
175.14844	11.7
177.16328	1.6
179.14348	5.4
181.04985	11.3
184.07372	1.6
187.14772	1.2
193.04991	2.8
194.05315	1.2
195.05424	1.0
243.21106	23.4
261.22150	42.4
273.18436	0.8
279.23279	4.4
282.14185	0.8
325.08350	0.8
395.39264	0.9
422.22162	1.0
623.17004	5.2
640.42096	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.5
55.01878	11.3
55.68285	1.7
57.03431	6.3
61.02919	6.3
68.99769	3.0
69.03429	23.4
69.15144	2.8
69.15556	16.9
71.01352	1.8
71.04986	3.4
73.02907	7.6
73.51681	1.6
76.31133	2.1
77.74937	1.5
79.05486	3.1
81.03426	27.0
81.07073	1.7
85.02911	62.1
87.00836	28.9
91.05478	2.6
97.02892	36.2
97.06485	2.4
99.04452	12.8
105.01870	13.6
108.04478	2.8
109.02877	24.3
115.03923	4.4
115.05383	2.1
117.01850	3.1
119.04977	2.1
122.03665	4.7
126.05505	1.8
127.03927	35.0
129.01826	2.6
129.07065	2.0
131.04922	7.0
133.06474	2.1
135.08032	3.0
137.05986	70.2
145.04953	23.9
149.05945	4.1
151.03920	3.5
153.05461	4.0
157.06508	2.2
159.02916	15.0
161.05992	23.3
163.07547	20.4
165.06932	3.1
175.07558	37.3
176.10742	3.3
185.05916	2.1
188.04689	3.5
191.07040	5.7
193.06490	5.1
197.09669	2.2
201.03981	1.8
203.06979	21.3
204.10226	1.7
205.08624	7.6
207.08095	2.2
209.08078	7.6
210.06741	4.5
215.07108	3.4
217.08621	4.9
221.06027	14.4
221.08012	3.8
223.05971	2.7
225.09119	15.2
231.05051	7.0
233.08086	6.8
235.07550	3.3
235.09647	32.2
237.09109	3.3
238.06174	2.9
239.06958	2.9
245.08087	4.6
248.07793	2.2
248.33118	1.8
249.09082	2.9
253.08621	34.1
257.08145	3.7
258.14957	1.8
263.09174	5.2
265.08643	8.5
266.09024	2.3
267.10132	9.4
269.07907	2.5
270.08813	3.8
276.07608	1.8
277.08630	7.4
279.10056	2.0
285.11234	78.9
287.09122	2.6
294.09146	3.1
295.09702	6.9
297.11237	17.9
299.12827	2.8
307.09506	4.1
309.11255	15.3
319.09711	2.4
319.22705	2.4
321.11105	3.3
325.10770	9.2
327.12289	70.8
333.11411	2.5
337.10696	3.2
339.12286	7.4
341.13791	5.9
345.13361	100.0
349.10684	3.5
351.12384	8.7
355.11554	2.9
357.13354	41.3
363.12341	2.6
367.11771	4.4
369.13403	14.3
375.12372	3.8
381.13254	9.9
389.13394	2.4
393.13086	5.7
403.11685	2.3
411.14294	4.2
417.13257	9.0
435.14331	17.9
453.15512	4.4
521.14276	2.4
539.15277	6.3
557.16199	3.7
575.17963	2.4
596.21155	4.5
640.24060	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	640.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77990	1.3
53.03932	3.5
54.58277	1.2
55.01878	6.1
57.03434	2.8
60.83746	1.0
61.02909	2.0
68.99783	2.9
69.03433	14.0
69.95403	5.7
71.04998	1.7
73.02911	4.3
79.05486	1.8
81.03422	15.1
81.07053	3.6
85.02908	38.8
87.00840	17.6
91.03941	1.9
91.05469	3.8
93.03420	1.2
93.06982	1.2
94.04199	2.1
97.02889	21.1
99.04472	7.0
103.05499	1.5
105.01881	11.6
107.04918	2.4
109.02895	13.1
109.06538	1.6
111.04439	1.7
115.03928	3.3
115.05454	2.6
117.01858	2.1
118.73593	1.0
119.04933	2.3
121.06509	2.8
122.03647	3.7
127.00087	1.5
127.03923	25.3
129.01855	2.1
131.04929	1.4
137.05984	75.2
143.04909	3.2
145.04950	14.5
146.03563	1.6
147.02881	2.8
147.04356	1.5
149.05952	4.1
151.03876	3.1
151.07509	2.4
153.05463	3.4
159.02878	8.6
160.05173	2.1
161.05988	30.0
162.06833	1.3
163.07544	6.8
165.07034	4.5
175.07538	12.5
176.10747	2.0
179.07039	5.1
179.08449	2.4
187.07556	1.1
188.04718	6.3
189.09128	1.5
191.06934	7.1
193.06511	7.6
194.07137	1.3
195.08098	2.2
195.13701	1.4
197.09642	2.3
203.07043	24.3
204.10173	1.9
205.08580	4.1
207.08069	4.0
209.08057	3.6
209.09810	1.5
210.06816	7.0
211.07558	3.3
215.07040	2.3
217.06494	1.4
217.08577	1.3
219.05009	2.5
221.06030	19.8
221.08015	1.8
222.06709	2.6
223.05948	1.7
224.08311	3.2
225.05614	1.8
225.09128	23.1
227.07031	1.8
231.05043	6.0
233.08086	6.2
233.11655	1.7
234.06850	2.0
235.07515	4.5
235.09724	4.6
237.09093	3.7
238.06256	4.3
239.07028	2.4
239.10704	3.0
245.08090	3.1
249.09247	5.5
251.06976	1.9
252.07800	4.0
253.08623	47.8
254.09357	2.4
255.06525	2.8
263.09277	6.6
265.08569	6.9
266.09326	2.0
267.10150	16.4
269.08072	1.7
270.08881	6.6
271.04156	1.3
275.09280	1.8
277.08521	10.0
278.09512	1.5
280.07324	1.8
282.09000	1.6
283.09772	1.8
285.11221	100.0
287.09143	1.6
291.10092	2.2
294.08871	4.0
295.09680	9.3
297.11282	13.5
299.12900	2.1
307.09668	3.5
309.11249	18.3
312.09756	1.4
313.10742	1.7
315.10059	1.3
321.11331	2.8
325.10620	4.7
327.12283	87.8
328.12805	2.0
333.11285	1.5
339.12366	5.6
345.13348	85.4
349.10620	2.6
351.12219	5.3
355.11737	3.7
357.13358	25.3
363.12131	2.0
367.11920	2.9
369.13321	13.3
375.12103	3.1
379.11786	2.2
381.13388	7.5
382.84109	1.7
385.10785	1.2
393.13330	3.9
399.14172	2.8
407.14627	2.2
411.14227	5.2
417.13406	9.8
435.14352	16.0
453.15195	4.2
521.14209	2.0
529.98645	1.3
539.15308	5.2
557.16681	5.4
575.17389	3.8
593.18622	1.3
596.20862	4.2
640.22723	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	639.4984
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.5
53.27598	1.3
55.01858	2.0
55.05513	19.3
57.03442	8.8
57.07071	9.1
58.26915	1.1
59.05011	1.7
62.75900	1.3
63.62126	1.3
65.03939	3.6
67.05506	61.0
69.07072	19.9
70.74079	3.1
71.08637	3.6
77.03948	1.5
79.05495	43.3
80.42253	1.3
81.07056	64.2
83.05003	2.5
83.08622	11.8
85.06553	5.3
85.39570	1.3
91.05480	43.1
93.07047	42.6
95.04990	3.6
95.08610	47.9
97.06538	6.0
97.10181	5.2
99.08089	1.9
103.05495	1.6
105.07037	37.5
107.08598	27.4
109.06552	2.0
109.10154	20.5
111.08096	2.4
115.05480	2.2
117.07021	17.7
119.08577	34.3
121.10143	24.7
123.08098	1.3
123.11735	7.8
125.09653	1.5
128.06213	3.1
129.05519	3.5
129.06996	14.2
131.08568	33.9
133.10129	25.5
135.08026	1.9
135.11684	16.0
137.13223	3.3
141.06999	5.3
142.07756	1.8
143.08574	17.7
145.10123	26.6
147.08101	1.9
147.11681	14.7
149.09654	3.3
149.13286	8.0
151.11194	1.4
151.14874	2.9
155.08589	7.4
157.10118	17.8
159.08012	1.7
159.11694	13.2
161.09669	3.4
161.13290	11.6
163.11172	1.7
163.14847	5.2
167.08612	2.1
169.10107	8.2
171.11679	17.3
173.09657	1.5
173.13261	13.3
175.11151	2.1
175.14822	8.8
177.16394	3.1
181.10104	4.2
183.11656	6.4
185.13287	12.3
187.11211	1.6
187.14784	8.3
189.12822	2.5
189.16408	9.5
191.17973	2.2
195.11745	2.9
197.13292	4.3
199.14850	8.1
201.12822	1.7
201.16415	7.0
203.17940	12.3
205.15758	1.4
205.19595	1.3
207.11861	2.0
209.13326	3.2
211.14893	3.5
213.16417	5.6
215.18037	1.5
217.19614	2.5
221.91843	1.5
225.16481	2.7
227.17970	3.3
229.19547	2.6
237.16273	2.0
239.18022	2.1
241.19554	2.6
243.21077	6.8
245.22765	3.4
257.19202	2.1
257.22583	2.5
259.20602	4.8
259.24188	6.4
261.22189	5.1
267.21170	5.0
269.22617	15.5
271.20673	1.5
271.24326	3.2
281.22714	1.7
283.20499	2.2
285.22113	11.6
287.23682	23.8
293.22479	1.7
311.23880	2.1
333.24484	2.9
335.25806	21.9
337.27481	7.5
361.27527	5.4
363.29340	2.4
529.44202	5.2
547.45178	8.9
555.43610	1.5
565.46222	2.9
621.48560	12.8
639.49860	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.9
55.05517	4.6
57.03427	1.3
59.05006	1.3
65.03932	1.4
67.05505	28.7
69.07062	3.9
69.14435	2.0
69.14845	7.1
71.04965	1.6
79.05494	21.6
81.03420	0.8
81.07056	31.6
83.04986	1.0
83.08629	6.0
85.06496	1.9
89.03918	6.7
91.05483	12.0
93.07038	18.4
95.04963	1.4
95.07996	1.2
95.08607	23.1
97.06511	2.5
97.10133	1.3
99.08087	2.9
105.07045	8.7
107.04948	2.5
107.08606	8.4
109.06534	1.2
109.10170	5.8
111.08111	1.6
115.05417	0.9
117.03378	9.0
117.07019	1.1
119.08598	8.3
121.10148	23.3
123.11682	1.9
125.09646	2.3
129.06987	0.9
131.08556	1.9
133.10114	9.1
135.04416	18.8
135.10712	1.2
135.11693	15.9
135.12706	0.8
137.02348	10.6
145.01819	0.6
145.02837	16.2
145.10100	1.7
147.04417	9.3
147.11687	14.6
149.13263	6.6
159.11650	1.3
161.05992	6.0
161.11996	1.7
161.13248	21.5
163.03905	100.0
163.14801	3.5
165.12770	2.1
166.29868	0.9
175.14821	6.1
179.14293	2.8
181.04968	18.7
181.09961	1.0
187.03879	1.8
187.14807	0.8
191.03360	5.4
201.16356	1.1
207.06551	2.2
209.05948	0.9
228.45830	0.8
233.04446	11.0
237.05426	3.6
243.21013	6.2
255.06544	4.7
261.22147	16.4
265.04947	7.0
279.23117	2.2
283.05978	11.5
301.07120	1.2
325.07074	14.3
343.08182	2.6
359.88870	0.9
639.27008	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2804
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
59.04992	7.1
68.74333	2.9
69.19272	29.6
70.54168	3.1
91.05483	3.3
95.08646	3.3
150.50945	2.5
166.06026	3.2
171.59814	3.1
185.67796	2.9
212.54182	3.0
223.12309	4.7
283.17761	2.9
421.16611	6.0
423.21777	11.2
437.23447	8.1
459.21805	12.9
460.22006	3.9
465.23041	12.6
492.21603	7.0
493.22385	11.0
547.27118	12.0
579.26251	5.9
580.27106	16.7
589.24561	4.1
606.28656	34.6
607.25574	16.9
611.28302	15.9
621.26965	5.8
639.28058	100.0
640.29010	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	639.2815
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
57.07082	1.2
58.03024	0.8
58.80290	0.8
59.05002	3.7
61.96808	0.9
67.05503	3.3
69.07056	1.7
70.74162	2.6
79.05494	3.0
80.40180	0.8
81.07059	3.5
87.52323	0.8
89.06042	1.9
91.05469	2.8
93.07052	1.8
95.08648	1.9
97.10214	0.9
97.96003	0.8
101.06017	0.9
105.07041	2.3
107.08615	0.9
109.10172	1.4
117.07053	1.0
122.73366	1.0
127.33865	0.9
131.08530	1.1
162.83914	1.0
233.37027	1.0
294.29852	0.9
326.16641	0.9
377.17810	2.7
378.18646	1.6
389.18204	2.0
390.18420	1.8
391.18954	6.9
392.19897	5.0
393.20779	1.2
403.19260	2.0
404.19882	3.5
405.20795	13.1
406.21579	6.4
407.22433	13.8
412.16870	1.1
416.20218	1.0
417.20636	1.4
418.21719	1.3
419.22470	5.0
420.23212	5.8
421.23880	22.9
422.17023	1.7
422.24738	4.2
424.22073	1.1
429.21729	0.9
431.18381	1.3
432.23199	1.0
433.24240	6.9
434.24725	3.2
435.18240	2.6
436.19073	2.9
445.20148	1.9
447.21619	2.3
449.19293	1.7
449.27640	1.6
450.20520	2.1
451.21246	17.9
451.26999	1.4
452.22058	4.3
460.22351	1.2
461.23453	1.4
463.21341	2.8
464.22360	2.0
465.22913	21.0
466.23575	3.5
473.19443	2.0
475.25613	1.1
477.22913	1.0
478.24115	2.2
479.24298	1.8
487.21429	3.7
488.22284	1.7
489.23242	1.4
491.20752	2.9
493.26138	3.3
501.22812	2.5
503.24445	17.4
504.24887	0.9
507.27728	15.6
508.28400	3.7
519.23505	1.4
523.23633	3.9
533.25568	1.8
535.27045	20.1
537.24969	10.1
551.26520	6.7
552.27435	18.6
561.24921	4.9
562.24585	1.3
579.25970	10.8
580.26770	3.7
593.27936	1.5
595.29047	9.0
621.27112	21.5
639.28107	100.0
640.28394	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	639.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01838	0.8
55.05505	1.7
56.34309	0.6
59.04994	1.5
67.05502	2.1
69.07049	1.1
69.55879	2.3
69.56287	2.1
75.08297	0.6
79.05503	3.9
81.07071	4.1
82.42713	0.9
83.08611	0.8
85.06530	0.8
87.04460	1.9
89.06030	8.3
91.05473	2.3
93.07048	3.4
95.04974	2.3
95.08600	2.2
97.06522	0.8
98.20751	1.0
103.05463	1.7
105.07035	49.9
106.07381	2.3
107.08611	1.8
117.07101	0.9
119.08602	1.7
121.06554	1.0
121.10130	1.4
125.09679	0.8
131.08597	1.8
133.08597	4.0
133.10149	0.9
135.11737	1.1
145.10101	1.1
157.10147	1.0
157.76411	0.6
177.11253	1.4
178.08601	0.7
184.07405	0.8
190.34126	0.8
195.08873	0.7
207.09155	1.0
209.10730	1.2
210.11438	1.1
211.12267	0.8
221.10753	1.5
222.11456	1.5
223.12337	3.6
224.13103	1.7
226.14706	0.8
235.12329	1.8
236.12973	1.2
236.15013	1.4
237.13928	3.3
238.14641	2.2
239.15388	2.1
240.16270	1.1
247.12395	0.9
249.13907	2.2
250.14703	1.0
251.11839	1.5
251.15350	3.2
253.17029	1.2
261.13824	2.4
262.14719	1.3
264.12585	1.2
273.13892	0.8
277.13614	0.9
279.14883	1.6
287.11792	0.8
292.22754	0.7
299.10355	2.3
304.17844	0.8
312.14917	1.7
314.16333	0.9
326.16501	0.8
352.18073	1.0
364.17438	0.9
365.18304	0.9
377.18365	0.9
378.19766	1.0
379.19208	2.4
389.17026	1.0
390.15402	0.9
391.19604	0.9
392.16504	1.3
393.16684	1.0
393.21051	1.4
395.18329	0.7
404.16278	1.0
406.17792	1.4
407.18677	2.5
408.19272	0.9
409.20233	1.4
410.21014	1.8
419.18973	0.9
421.20264	2.2
422.20941	3.3
423.22321	3.5
435.17773	2.0
437.19415	1.1
445.20724	0.9
448.19061	1.1
449.19748	2.1
450.20529	1.6
451.21414	2.0
463.21573	1.0
467.20676	0.8
477.18915	1.5
478.19876	1.0
479.20761	1.9
481.26288	1.2
494.23755	2.1
495.23914	1.0
496.24387	1.0
504.21637	1.0
505.22272	1.1
509.25635	18.0
519.23932	1.8
522.22852	2.4
535.27228	1.2
536.23700	1.3
537.25159	13.5
547.23340	1.0
551.26410	4.6
552.23950	0.9
554.25592	1.0
563.25922	1.2
564.23706	1.1
565.24536	16.1
567.29529	2.2
569.27612	17.1
579.26080	5.2
595.29199	1.4
596.25903	2.6
597.27094	100.0
598.27417	3.6
607.25439	8.1
611.28558	14.7
621.26624	3.1
638.46649	1.1
639.28107	30.4
639.39276	1.6
639.43756	1.1
640.28064	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2809
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
55.05513	0.4
59.04977	0.3
63.03014	0.3
66.25686	0.4
67.05495	0.6
69.07067	0.4
69.95309	1.8
79.05495	0.8
81.07045	0.5
86.09723	0.4
91.05480	0.7
93.07042	0.6
95.04965	0.4
98.20840	0.6
98.92525	0.3
105.07033	1.2
107.08617	0.6
123.08137	0.4
131.08511	0.4
174.31860	0.3
184.07382	0.8
237.10301	0.4
239.11829	0.3
251.08217	0.5
251.11974	0.4
264.04617	0.3
290.13052	0.5
312.14987	0.4
328.14441	0.4
340.14273	0.6
342.12341	0.4
356.17816	0.4
379.19202	0.4
391.15237	0.5
392.16159	0.4
393.17053	1.0
393.21411	0.5
404.16727	0.4
405.17178	1.1
406.17935	1.2
407.18796	2.7
408.19214	0.8
414.18872	0.4
417.17215	0.5
418.18448	0.6
419.14316	0.5
419.18930	1.3
420.15417	0.7
420.20023	0.6
421.20581	4.9
422.21136	1.1
423.21664	0.6
431.18951	0.5
432.19971	0.4
433.16171	1.3
433.20538	1.5
434.16626	1.7
435.17395	3.4
436.22949	1.8
445.16034	0.9
446.17212	0.4
447.21817	1.3
448.18573	2.5
449.19696	9.9
450.20660	3.3
451.21664	0.4
459.18121	0.8
460.18787	0.7
461.19696	1.5
463.21622	4.9
464.22122	5.3
465.23282	0.9
473.20056	0.4
474.20679	1.0
475.21207	1.4
476.21710	0.5
477.18784	5.5
478.19818	2.0
479.20551	0.8
491.20822	1.0
492.20889	1.8
493.22684	0.8
507.23880	1.0
509.25803	0.7
521.22192	0.7
523.22803	2.2
533.21448	0.5
535.23505	4.1
536.24176	1.5
537.20673	0.9
537.24628	1.0
547.23468	0.7
549.21356	0.5
550.25677	1.2
551.26654	3.3
552.23993	0.4
561.25037	3.7
562.24939	0.4
563.22888	0.4
564.23633	4.0
565.24274	2.5
567.26099	0.5
579.26117	6.2
580.26233	0.6
581.23877	0.8
589.24988	0.5
593.27277	0.5
595.25293	2.5
596.26221	1.3
597.26813	1.7
607.25586	1.3
610.27533	1.0
621.27045	5.2
624.25745	6.3
639.28101	100.0
640.28662	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.4829
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45870	2.4
53.03933	7.2
55.01866	9.5
55.05515	28.6
57.03440	13.7
57.07081	17.0
58.52299	2.8
62.03888	2.4
63.74788	2.5
65.03940	5.6
65.06001	2.9
67.05507	100.0
69.07065	29.8
69.28470	12.2
69.28899	13.4
71.04998	5.3
71.08619	5.9
77.03951	3.3
79.05494	75.0
81.03403	5.6
81.07059	89.0
81.07532	4.9
83.04955	3.1
83.08618	13.4
85.06551	5.0
85.10176	3.7
85.68388	2.8
91.05485	85.7
93.07043	73.8
95.04955	8.1
95.08061	5.4
95.08614	61.5
97.06510	6.2
97.10187	7.4
99.08100	5.4
103.05476	4.6
105.07038	63.3
107.08619	32.6
109.06515	7.3
109.10159	25.1
111.08073	5.1
115.05453	9.1
116.06206	3.8
117.07034	51.1
119.08585	50.3
121.10173	29.4
123.11695	8.6
128.06252	10.7
129.05501	5.8
129.07011	36.0
130.07770	5.8
131.08563	73.6
133.10159	28.0
135.08102	5.9
135.11688	20.7
137.05980	11.5
137.13252	3.1
141.06996	24.3
143.08537	22.1
145.06471	3.2
145.10127	41.1
147.08087	5.3
147.11685	15.1
148.46429	3.0
149.09639	6.6
149.13283	9.0
154.07841	4.6
155.08571	22.6
157.10135	22.5
159.08057	4.6
159.11711	24.9
161.09544	5.2
161.13245	13.9
163.14934	3.7
167.08649	8.8
169.10130	34.7
171.11726	23.7
173.09680	6.3
173.13312	17.5
175.11189	5.5
175.14851	8.3
181.10175	8.0
182.10780	3.2
183.11691	25.6
185.13286	13.4
187.11206	11.6
187.14832	15.3
189.16348	5.3
191.17981	3.5
195.11731	8.8
197.13319	17.4
199.11206	4.0
199.14883	5.8
201.12798	9.6
201.16412	22.0
203.17975	4.2
205.19507	3.8
207.11710	4.3
209.13312	7.3
211.14877	10.6
213.16451	8.3
215.14427	3.7
215.17921	4.0
217.16000	4.8
221.13220	4.6
223.14847	4.5
239.18037	7.6
241.19542	9.7
243.21129	16.3
257.22714	13.7
259.20709	6.2
261.22177	4.5
265.19476	4.9
267.21124	32.0
277.18051	5.8
283.20544	7.1
285.22156	69.4
287.23898	3.4
316.96808	3.1
333.24274	4.5
335.25909	37.4
359.25745	6.5
391.19565	4.2
392.20020	3.4
399.16269	3.6
405.20886	4.8
406.21545	4.7
413.17615	3.8
414.18256	4.0
420.23102	4.4
421.23871	11.9
427.19583	3.7
429.20917	14.1
443.22525	7.0
444.23053	6.3
445.20126	4.8
457.24359	5.5
458.24820	6.7
459.21741	6.9
460.23004	3.7
461.19305	6.3
472.22815	6.9
473.19254	3.4
476.22269	3.9
485.23944	13.5
486.24533	4.7
488.21738	5.1
499.20682	4.0
503.24255	20.7
517.25940	10.1
535.27020	30.0
536.27356	3.5
545.25537	79.2
545.43506	13.3
546.25952	9.5
563.26495	6.2
573.25031	22.9
605.27649	84.4
606.27710	9.2
619.46545	9.9
637.30481	92.9
637.48120	95.4
638.30457	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	637.4829
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	2.6
53.03941	7.9
55.01865	5.9
55.05508	30.4
57.03429	8.8
57.07069	8.9
59.04988	6.1
65.03918	4.5
67.05504	91.4
67.67065	2.3
69.07064	31.5
69.17573	2.2
71.04991	5.8
71.08618	8.3
71.18396	3.3
79.05493	56.8
81.03414	3.1
81.07057	100.0
83.04975	3.8
83.08607	12.0
85.06544	8.7
91.05480	68.4
93.07043	67.9
95.04951	6.3
95.08611	63.1
97.06532	6.6
97.10189	5.6
99.08145	3.8
105.04514	3.9
105.07031	59.2
107.08592	38.5
109.06503	4.1
109.10164	30.0
111.08068	3.2
115.05468	2.5
117.07011	38.7
119.08591	39.4
121.10132	37.6
123.11686	11.8
123.98941	2.5
125.09644	5.6
126.33995	2.3
128.06306	7.2
129.05501	4.7
129.06999	29.2
130.07816	3.1
131.08568	55.4
131.09537	3.3
133.10138	33.0
135.08112	4.5
135.11696	20.4
137.13278	5.0
141.06978	11.7
143.08592	22.1
145.10117	43.5
147.11687	21.4
149.09694	6.6
149.13268	6.9
155.08559	15.5
157.10117	20.3
159.11688	27.0
160.47348	2.6
161.09650	3.5
161.13260	15.8
163.11176	2.8
163.14867	6.7
169.10162	14.0
170.10928	2.4
171.11681	22.8
173.13284	26.3
175.14850	14.2
181.10147	8.8
182.10951	3.6
183.11722	19.8
185.13274	18.4
187.14796	20.0
189.12802	3.5
189.16415	6.5
191.14311	3.6
195.11716	9.3
197.13301	8.4
199.14830	18.0
201.16357	18.6
203.14268	4.2
203.18089	3.3
209.13292	4.2
211.14847	9.5
213.16417	6.5
215.14413	2.8
215.58319	2.6
223.14928	7.5
225.16455	7.7
227.17975	4.9
229.15851	2.9
229.19569	3.0
235.14870	4.0
239.18008	3.7
241.19580	7.2
243.21284	2.8
253.19559	4.4
255.21062	2.8
257.19107	4.7
257.22739	5.8
261.22232	3.7
265.19641	8.8
267.21072	24.7
283.20599	7.9
285.22144	37.7
301.21576	3.0
335.25720	27.9
337.27478	12.3
359.25641	11.8
467.37097	2.4
495.34573	2.4
545.43494	9.9
619.47485	11.9
637.48322	94.5
638.48438	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	637.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50282	0.6
53.37858	0.7
55.05510	2.1
57.07083	1.3
67.05507	4.2
69.07072	1.6
70.26985	1.8
70.27342	1.4
71.08609	0.8
79.05502	4.0
81.07064	5.1
83.08646	0.9
91.05476	4.9
93.07043	4.5
95.08615	4.4
97.06581	0.8
105.07058	3.1
107.08612	2.3
109.06472	0.9
109.10184	1.0
117.07035	2.1
119.08610	2.2
121.10192	1.5
121.37643	0.7
129.07028	1.7
131.08580	4.0
133.10161	1.7
135.11719	0.8
137.05981	0.9
141.07007	1.7
143.08647	1.8
145.10159	2.6
147.11766	0.9
155.08588	1.8
157.10179	1.6
159.11684	1.1
161.91920	0.7
169.10161	1.6
171.11710	1.8
173.13388	1.1
183.11769	1.7
187.11282	1.0
195.11693	0.8
197.13242	0.8
201.16385	1.2
211.14801	1.0
240.36830	0.7
243.21307	1.1
257.22742	1.1
267.21140	1.2
283.20731	0.9
285.22174	4.6
335.26120	1.5
376.16342	0.8
389.18402	1.2
390.03592	0.7
390.18729	1.7
391.19348	2.6
392.20126	1.6
399.16302	1.2
400.17166	2.1
401.17703	1.5
402.18619	0.9
403.19467	1.5
404.20782	1.3
405.20926	5.3
406.21573	6.7
407.22186	0.8
413.17987	1.9
414.18484	3.2
415.19363	5.8
417.20993	2.1
419.22394	2.3
420.23297	3.7
421.23907	9.8
427.19446	1.9
428.20126	3.7
429.20941	13.8
430.22098	3.3
431.18097	1.2
431.23129	1.4
432.23697	0.9
433.19363	3.5
433.25085	1.3
434.24603	2.0
442.21707	2.2
443.22638	9.6
444.23703	5.3
445.19818	4.6
447.17535	1.3
448.22812	1.2
452.21957	0.7
455.18579	1.1
456.19589	1.5
457.23947	4.6
458.24951	9.2
459.21786	9.6
460.22601	5.6
461.19403	9.5
470.21371	1.2
471.21759	2.3
472.22638	9.2
473.19235	2.1
473.24722	1.1
474.20129	0.8
475.21469	2.3
476.22055	6.9
485.23709	14.7
486.20432	3.1
486.24426	2.9
487.21576	2.7
488.21967	5.2
489.22989	1.5
490.23953	1.2
498.20520	0.8
500.22092	2.6
502.23746	1.3
503.24493	20.4
513.23053	4.8
514.23853	1.9
517.25958	8.6
529.26019	1.3
535.27069	27.4
536.27380	1.2
545.25549	86.7
546.25751	4.0
549.24908	1.0
563.26569	5.3
573.16107	1.2
573.25043	18.0
577.27728	1.2
605.27679	78.5
606.27789	3.5
637.30273	100.0
637.48157	5.7
638.30603	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01837	1.4
55.05501	2.6
55.17831	0.8
57.03408	0.9
57.07079	1.8
59.04992	1.8
62.88525	0.8
67.05506	6.4
69.07056	2.4
70.23307	0.8
71.08617	2.7
71.61599	0.7
74.09699	1.2
79.05479	4.5
79.25159	0.7
81.07048	4.9
82.70279	0.8
83.08617	1.0
85.10177	0.9
91.05489	4.9
93.07036	4.0
94.90857	0.8
95.04993	0.9
95.08613	4.4
97.06492	1.5
97.10153	1.8
99.08080	1.2
105.07031	3.4
107.08594	3.3
109.06551	0.8
109.10171	3.0
117.07043	1.6
119.08607	1.5
121.10156	2.1
123.08045	1.0
129.07053	1.2
131.08543	2.6
133.10133	1.6
134.98244	1.0
135.07991	0.9
135.11725	0.9
137.09610	0.9
143.08435	0.9
145.10115	1.7
151.11153	1.4
173.13219	1.0
210.11348	1.1
211.12299	1.3
223.12312	1.8
225.10136	1.4
225.13922	1.1
238.02333	1.0
285.22049	1.4
289.17896	1.1
313.27399	2.1
335.26035	1.1
403.19247	1.0
419.18625	1.5
431.18655	1.4
432.19595	1.2
433.20392	3.0
447.17145	1.5
447.22485	1.7
459.21939	2.2
461.19592	1.8
475.21286	3.7
476.22018	8.8
477.23209	1.0
489.22888	1.4
503.24307	1.3
519.24335	1.1
525.35559	3.3
547.23682	3.3
562.25543	5.8
563.26184	4.3
577.28137	3.9
579.25989	1.7
590.25122	0.9
605.27502	1.6
622.27783	4.0
637.30170	100.0
637.47668	4.1
638.30524	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	637.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.7
57.07079	1.1
59.05001	1.5
67.05513	3.9
69.07072	1.9
69.89052	0.5
71.08646	0.7
74.06880	0.6
79.05503	3.3
81.07078	3.3
83.08652	0.5
89.06038	1.8
91.05479	3.5
93.07047	3.6
95.08604	2.9
98.39591	0.6
99.08131	0.6
101.06011	0.7
104.51464	0.5
105.07052	2.2
107.08611	1.2
109.10172	0.7
113.82217	0.5
117.07041	2.0
119.08596	2.0
121.10146	1.1
128.06262	0.7
129.07057	1.5
131.08629	2.2
133.10104	1.3
135.11705	0.6
141.88094	0.6
143.08565	1.4
145.10153	1.4
155.08591	1.4
157.10182	1.1
169.10223	1.3
171.11748	0.8
173.13283	0.7
175.80721	0.5
181.10123	0.7
183.11732	1.3
213.16435	0.6
229.11691	0.6
237.16373	0.7
306.66199	0.6
335.25946	1.1
341.60617	0.6
400.17621	0.6
401.17776	1.2
402.18643	0.6
403.19168	1.2
405.21317	0.8
415.19305	2.3
417.20804	2.3
419.22513	1.7
429.16611	1.2
429.21591	0.7
430.17960	2.0
431.18005	2.8
433.20490	1.2
443.18301	2.6
444.19086	3.3
445.20239	9.9
446.21164	2.3
447.22314	1.2
457.20544	0.9
458.21051	8.9
459.21774	6.7
460.22690	6.6
461.19223	4.2
462.20316	0.9
473.23795	0.9
475.21545	1.7
476.22134	1.0
477.22934	1.9
489.18903	0.8
491.24573	1.8
499.21524	0.8
503.20938	1.1
505.22684	1.1
517.22540	1.7
518.23029	5.3
530.23303	0.8
531.24091	1.1
533.25739	3.0
535.23767	1.8
545.25623	2.5
545.44025	1.4
546.26501	1.7
549.25159	1.1
562.26013	0.9
573.24420	0.8
577.28735	2.7
591.26678	0.8
592.27264	0.9
605.27698	15.5
606.28015	1.0
619.47479	0.7
622.99866	0.7
637.30261	100.0
637.48108	6.6
638.30310	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	637.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.8
55.01872	0.7
63.44416	0.7
69.03464	0.9
69.20596	5.7
77.92391	0.6
79.05489	1.2
80.04979	0.6
81.07043	1.1
83.04982	0.9
85.02931	1.1
91.05491	1.6
93.07053	1.5
94.06580	1.9
95.05016	0.8
95.08636	0.8
96.08115	0.9
105.07031	1.8
106.06554	4.0
107.07355	11.2
107.08537	0.9
108.08144	0.8
109.10149	0.7
110.06086	1.0
112.15506	0.7
119.05004	1.2
119.08646	0.7
122.06090	3.1
122.09679	100.0
123.10009	2.1
124.11253	2.7
127.03848	0.7
135.06804	0.6
136.07585	6.3
137.06036	0.7
137.21056	0.7
138.09143	1.3
145.10179	0.8
147.04346	0.9
148.11220	2.4
150.09160	11.6
164.07083	9.5
173.26390	0.6
174.09181	1.1
176.10721	4.1
177.06625	1.4
181.09747	4.5
188.07162	0.9
191.08199	3.4
201.06577	1.0
202.07169	1.5
202.08946	3.0
203.08272	2.0
204.06584	1.0
204.10225	8.1
215.08189	0.9
216.10054	0.6
217.09801	5.1
217.11794	0.7
220.09805	0.8
229.06123	0.8
230.08160	2.5
231.08076	0.7
233.09216	1.3
235.10831	2.9
243.11279	1.2
245.09247	2.3
248.09305	1.6
257.09262	4.3
259.10892	1.1
261.08731	37.5
262.09085	1.1
263.10315	3.0
271.10895	1.1
272.09283	0.8
279.09869	1.0
285.08789	5.1
287.10440	4.5
290.10394	0.9
299.10388	1.3
305.11224	4.7
307.12759	3.0
313.08136	3.5
315.09686	0.8
329.15204	0.7
331.09238	4.8
333.10797	1.0
361.14343	1.1
364.20370	0.7
390.18234	2.5
398.17224	7.3
400.17801	0.6
416.18375	1.2
418.17743	4.2
424.18912	0.8
428.21909	4.4
436.18793	3.0
438.20526	3.6
452.18793	0.8
454.19736	5.5
456.21368	7.1
464.18253	14.0
468.17624	1.2
470.19153	3.1
482.19098	5.7
486.18896	1.6
489.21585	0.9
527.26422	1.4
551.30011	1.1
555.26038	2.2
573.27185	4.3
591.28296	5.5
593.31537	2.6
601.26758	11.2
619.27655	12.1
637.30389	3.6
660.49030	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2659
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
55.05506	1.4
57.07080	1.5
59.05003	3.8
67.05509	1.9
69.07059	1.0
71.08630	2.4
71.49027	1.1
79.05502	1.6
81.03422	0.8
81.07063	1.6
85.10190	1.2
86.10567	0.6
87.04475	1.4
87.91116	0.6
89.01867	0.6
89.06038	5.9
90.06378	1.0
91.05495	2.0
93.07063	1.8
95.08626	0.9
97.02900	0.6
101.06015	0.8
105.07047	1.6
119.08556	0.9
121.10113	0.9
131.08607	0.8
133.08611	3.1
134.08926	1.2
143.08563	0.7
145.02875	0.8
161.13393	0.5
177.11267	0.7
184.07315	1.2
187.12189	0.6
204.53133	0.6
221.80971	0.6
224.09746	0.5
249.21144	0.7
253.58687	0.6
292.23651	1.0
313.27328	0.8
373.14325	0.7
388.17297	0.9
389.17731	1.9
401.17526	1.8
402.18533	2.0
403.19318	2.5
404.20172	1.3
405.20813	0.9
415.19437	0.9
416.15839	0.8
417.16895	1.8
417.21063	2.0
419.22366	2.0
429.17181	1.1
430.17740	1.0
431.18097	2.8
432.19452	0.9
444.19354	0.7
445.20364	4.6
446.21234	2.9
447.21805	2.0
457.16544	0.7
459.22253	1.2
461.16223	1.8
462.16620	0.8
463.21600	4.1
475.17123	1.5
476.18103	1.2
477.19479	1.6
489.19653	2.5
490.19919	8.6
491.20746	11.2
503.20767	3.8
504.21545	1.8
517.22247	2.2
533.25519	6.9
535.20032	0.8
549.24347	1.9
559.23352	0.8
562.21692	0.8
577.24475	23.7
578.24951	1.9
593.27710	1.7
605.24060	1.3
619.25861	0.8
637.26581	100.0
638.26831	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	637.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75758	0.8
55.05494	2.8
57.07067	3.6
58.28389	0.8
59.04972	0.9
67.05504	6.8
69.07057	3.4
69.15991	8.4
69.39161	0.9
71.08620	3.1
79.05502	7.3
81.07053	7.6
83.08617	2.0
85.10191	1.3
91.05481	9.8
93.07035	5.1
95.08608	4.8
95.82801	0.9
97.10197	0.9
105.06409	1.0
105.07005	5.6
107.08598	3.3
109.06500	1.0
109.10151	2.2
116.84499	0.8
117.07009	3.2
118.06544	1.7
119.08554	3.6
121.10149	2.3
129.07001	3.0
131.08554	3.6
133.10129	2.1
135.11681	1.6
137.05988	2.3
141.07021	1.1
143.08620	1.3
145.10098	2.1
155.08517	1.0
157.10101	1.3
159.11728	1.5
161.13252	1.0
162.05495	1.6
167.07321	1.2
168.08075	1.4
169.10165	0.9
181.07559	2.2
182.08395	1.2
185.13226	1.2
187.14899	1.1
193.07571	3.7
194.08400	1.5
195.09137	7.7
196.09956	3.3
197.10710	5.4
198.12924	1.2
206.08365	1.1
207.09059	4.3
208.09912	5.1
209.07005	2.5
209.10739	9.3
209.12677	1.4
210.11481	8.3
211.08707	2.3
211.12299	3.3
211.14359	1.0
212.13080	2.0
221.07085	3.9
221.10701	2.0
222.07845	3.5
222.11385	1.5
223.08658	10.5
223.12259	7.6
224.05962	1.4
224.09442	21.6
224.13042	3.1
225.10318	8.7
225.13881	10.1
226.14664	3.1
227.15353	1.5
235.08745	6.6
236.05440	1.3
236.09344	4.5
237.06590	1.6
237.10254	6.6
238.11099	4.3
239.08163	2.2
239.11850	1.3
249.06566	1.9
249.10109	1.3
250.07394	1.5
251.08099	6.0
251.11853	7.6
252.08990	2.5
253.13387	27.4
254.10484	1.0
255.11272	4.2
256.12103	5.7
261.05743	0.9
263.08191	7.3
264.08972	4.6
265.06039	1.6
265.09824	4.4
266.10516	3.3
268.08459	1.0
269.09390	2.2
269.12744	2.2
270.13617	1.9
271.14349	2.4
272.07968	1.2
275.08328	1.5
277.06131	2.6
277.18063	1.5
278.06766	1.2
279.07941	2.1
279.11273	6.4
281.09225	3.6
281.12784	2.6
283.10583	1.9
291.07690	7.2
293.09213	2.9
295.07208	1.7
297.08987	1.4
297.12387	4.5
308.08051	1.0
309.08710	2.1
310.09637	4.8
310.12552	0.9
311.10150	2.4
311.13684	1.3
319.07114	2.6
323.10168	1.7
325.11981	6.4
335.25626	1.1
351.09787	44.5
369.10858	22.0
445.16376	1.2
447.17746	1.5
470.16983	3.0
489.23148	1.5
503.20529	2.0
517.22357	9.2
545.21777	2.7
549.24554	1.6
573.21411	4.8
577.24438	43.2
578.24512	1.4
605.23969	100.0
606.23853	3.0
619.47040	1.3
637.26587	19.8
637.38135	1.3
637.49207	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	637.2658
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
59.04971	0.7
69.83539	2.0
69.83917	0.9
95.16224	0.4
122.85607	0.5
193.85208	0.5
354.87030	0.5
363.16208	0.7
366.12314	0.5
374.16187	0.5
377.17725	1.1
385.15134	0.6
386.15121	0.7
387.16171	1.3
388.17404	0.7
390.18671	0.7
391.19263	1.5
392.20007	0.6
393.20593	2.8
394.35901	0.5
399.16168	2.2
400.16809	2.5
401.17709	4.5
402.18768	0.8
403.19559	1.3
405.20825	1.4
407.22321	3.1
411.16226	0.7
412.17264	0.8
413.17514	3.7
414.18610	4.9
415.19351	8.8
416.20395	1.1
417.21094	0.9
421.20145	2.4
425.17606	1.1
427.19370	1.5
428.20462	3.9
429.15891	0.8
429.21390	8.2
430.21518	1.7
431.18518	1.2
433.20840	0.8
435.21698	1.9
436.22812	0.7
439.19540	1.0
441.16934	1.3
442.17856	1.7
443.18329	3.6
443.22623	4.1
444.18799	4.4
445.20615	2.2
447.22147	1.0
455.18628	0.7
456.19409	1.6
457.20572	5.2
458.21423	5.2
459.17618	0.6
460.18320	0.5
461.19370	0.5
470.17096	0.8
471.22363	7.6
472.23389	5.3
473.19540	4.8
474.20602	1.8
484.18958	1.0
485.19971	3.3
486.20526	5.7
487.21313	3.7
488.22351	1.1
489.23120	0.7
490.19632	2.9
499.21429	11.8
500.23059	2.9
502.20068	0.8
503.24728	4.7
513.19165	1.1
514.19763	1.0
516.21594	2.0
517.22485	3.9
527.21045	2.7
528.21375	1.0
531.24036	11.4
543.23779	1.0
545.21606	0.6
549.24927	0.6
559.23425	100.0
560.23871	3.6
587.22986	16.6
605.23566	0.9
619.25519	95.6
620.25732	3.4
637.26624	9.5
637.42273	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.0
59.05009	7.6
67.05503	3.1
71.41057	1.8
79.05511	1.6
81.07056	2.7
89.06028	1.0
91.05486	1.8
95.08640	2.6
105.07039	7.3
105.88427	0.9
106.07364	2.2
111.08050	0.9
114.57894	1.0
117.09116	1.1
121.10107	1.3
131.07097	1.3
131.08510	1.0
209.41321	0.9
313.27371	1.1
376.17096	0.9
377.17780	2.0
378.18405	1.8
386.15329	1.0
389.17725	1.4
390.18811	1.4
391.19260	2.7
392.19891	2.5
393.20682	4.5
398.14999	1.0
399.16238	2.1
400.16818	2.0
401.17709	3.4
405.20993	2.3
407.22452	6.1
413.17761	3.6
414.18646	3.4
415.19385	6.6
416.20282	1.5
419.18353	2.2
421.19891	5.3
427.19510	2.0
428.20053	3.5
429.21381	6.2
430.21967	1.4
431.18558	1.6
433.16229	1.5
434.21320	1.1
435.21835	6.6
436.22778	1.8
441.17148	1.3
442.17853	1.3
443.18146	2.8
443.22690	3.7
444.19116	3.0
444.24014	1.7
445.20593	2.2
446.21228	1.1
447.17688	2.0
456.19373	0.9
457.20981	5.0
458.21115	5.3
459.17981	2.1
461.19943	3.2
463.21124	2.2
469.16125	1.4
471.22421	7.6
472.22543	4.0
473.19724	5.1
474.20618	3.1
475.22406	1.3
485.19946	3.9
486.20602	6.2
487.21356	2.1
488.22418	2.3
489.19177	3.6
489.24323	1.4
490.19641	5.2
491.20377	2.0
499.21487	9.7
500.22058	2.9
501.23303	1.3
502.20331	2.1
503.19812	1.0
503.25027	2.4
513.19110	7.3
514.19995	1.7
516.21741	2.1
517.22406	15.1
519.20502	1.8
521.25409	1.4
527.20892	3.3
528.22095	1.1
529.22375	2.5
531.23657	9.2
545.21643	1.5
549.25140	8.6
559.23431	73.1
560.23944	2.6
577.24414	3.7
578.25293	1.3
587.22968	13.0
591.26080	6.8
605.24030	9.5
609.26996	1.4
619.25543	72.2
620.25690	1.7
637.26599	100.0
638.27087	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	637.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
55.01870	2.2
59.15129	0.5
61.29524	0.6
67.05510	1.7
69.03444	0.6
69.07071	9.3
69.80700	3.2
72.06635	0.6
79.05489	8.6
91.05480	8.1
93.48648	0.6
94.10714	0.6
95.04964	0.7
97.06534	82.2
98.06908	0.7
98.20768	1.2
109.06534	0.6
119.03003	0.6
119.04942	6.0
121.06589	0.7
133.06506	0.8
135.04399	1.6
137.05983	57.9
138.72675	0.6
147.04437	4.6
149.05966	1.5
163.03891	2.2
189.09109	7.8
215.10693	1.7
233.11731	100.0
234.12073	1.3
250.14403	74.6
251.14720	1.7
275.50272	0.6
292.46533	0.6
405.89218	0.7
472.43051	0.7
609.42688	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.4672
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85800	2.1
53.03950	12.8
55.01869	10.7
55.05511	30.1
57.03433	7.9
57.07061	8.5
59.04995	8.1
65.03941	7.7
67.05505	90.6
69.03436	2.6
69.07072	27.4
70.09090	7.9
71.04998	5.0
71.08633	100.0
77.03928	2.6
79.05495	78.2
81.03413	7.2
81.06593	4.5
81.07056	71.7
83.04992	12.9
83.08624	8.5
85.06544	5.3
85.10178	3.5
89.06043	2.4
91.05480	98.9
93.07047	78.2
95.04968	19.8
95.08609	54.0
95.41906	1.8
97.06522	15.6
97.10139	2.6
98.72890	2.1
99.08092	88.0
103.05466	9.1
105.03419	3.1
105.04543	3.7
105.07031	60.5
106.04906	1.9
107.04939	10.3
107.08588	37.2
109.06503	6.9
109.10144	16.6
111.08097	4.6
112.99938	2.6
115.04784	1.9
115.05452	11.4
117.06234	4.1
117.07014	52.6
119.08581	68.8
121.06502	16.4
121.10132	24.7
123.08060	7.0
123.11694	4.0
127.11241	2.6
128.06223	8.6
129.07008	24.8
131.08557	27.0
133.06508	2.8
133.10132	21.4
135.08052	9.4
135.11674	8.8
137.09604	6.3
137.13269	3.0
139.11166	2.2
141.07007	12.3
143.08572	21.0
144.34010	2.2
145.10120	27.8
147.08055	7.1
147.11711	12.8
149.13248	4.9
151.11179	66.3
154.07742	3.0
155.08539	3.2
157.10132	14.8
159.07991	3.8
159.11714	8.6
161.09607	11.5
161.13257	5.8
163.11215	3.2
165.12825	3.4
167.08595	2.8
169.10147	20.0
171.11722	5.9
173.13280	6.1
175.11205	4.2
175.14789	3.4
179.14317	7.5
181.10165	4.1
183.11720	5.5
185.13232	28.1
187.11182	26.7
187.14859	6.3
189.16338	3.5
191.14372	2.7
195.11624	2.4
199.14832	7.3
201.12732	5.7
201.16425	3.5
203.14362	15.5
203.17964	4.0
205.12131	2.6
205.15839	4.5
209.13208	4.0
213.12740	3.7
217.15883	28.7
219.17461	23.0
235.16957	9.4
257.18912	3.0
261.22302	3.0
265.19449	3.7
275.19986	15.6
283.20499	9.5
301.21591	6.2
312.90073	2.6
335.25812	39.6
349.23672	5.8
354.92847	2.6
389.26654	3.3
523.39856	4.3
569.42035	3.2
635.46863	54.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2871
Annotation	Shizukaol M
Peak:m/z	Relative Intensity
57.07079	1.5
59.04997	3.8
64.95016	0.8
67.05506	3.5
70.08637	3.1
71.08641	1.2
79.05503	3.9
81.03407	1.0
81.07065	4.1
85.00916	0.9
89.06015	1.0
91.05489	3.8
93.07043	2.7
95.04976	1.1
95.08601	2.7
97.10211	0.8
101.06001	1.1
105.07040	4.0
105.76458	0.9
107.08593	1.1
109.10212	1.1
117.07005	1.4
119.08587	1.6
131.08604	2.1
133.10153	2.0
145.10138	0.9
148.00398	0.9
155.08562	1.1
158.07190	0.9
159.11739	1.1
169.10172	1.0
175.02464	0.8
185.13411	1.0
189.11310	0.8
317.73474	0.9
328.95935	0.9
389.17770	2.3
395.59409	0.9
399.88702	0.9
402.18423	1.7
403.19269	3.8
404.20071	2.4
405.20874	2.0
412.56601	0.9
415.15540	2.8
416.15726	1.4
416.20425	2.1
417.16299	1.8
417.21548	5.8
418.21664	3.0
419.22519	4.1
426.98956	0.9
429.16907	1.8
430.17731	6.0
431.18036	9.8
432.19284	2.6
432.24249	1.0
433.24344	4.6
443.18472	1.8
444.19574	2.9
445.20041	15.4
446.20596	4.0
447.21765	4.1
457.20346	1.5
458.21268	2.0
459.22034	11.1
460.22659	11.7
461.23557	9.1
473.24054	2.0
487.25558	1.0
488.21124	1.0
489.22632	1.6
492.25494	1.0
505.22757	2.9
517.22461	1.5
519.23499	5.6
530.23639	1.2
531.24078	2.7
537.38080	1.0
546.26288	3.7
547.27124	23.1
575.26282	1.2
577.24316	4.7
591.26141	5.0
605.27655	1.4
606.28534	16.9
607.29181	35.7
635.28687	100.0
635.46149	3.5
636.29010	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	635.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24268	0.5
51.06487	0.9
69.62199	1.2
69.62608	2.6
75.35158	0.5
77.67661	0.5
78.34011	0.5
80.56152	0.5
93.07062	1.0
94.06570	1.7
96.08128	1.1
107.07353	0.7
108.08145	0.8
110.09714	1.6
120.08092	1.6
122.06019	0.7
122.09692	3.1
131.07314	2.0
132.08168	0.9
133.62366	0.6
136.07536	1.4
136.11253	0.9
138.09157	6.6
140.10730	1.2
146.09654	5.2
146.21591	0.6
150.09169	0.6
152.91551	0.5
160.07436	0.6
164.07082	2.4
174.09174	4.1
184.06451	0.6
187.08696	1.0
189.10202	0.9
192.10214	0.6
194.35303	0.6
200.09451	1.1
201.06635	2.5
202.05539	1.1
202.07368	10.9
203.08092	0.9
204.22095	0.5
212.09477	0.8
213.10254	2.1
215.08237	0.8
217.09740	10.6
220.09723	10.9
233.09224	5.8
235.10815	3.4
241.09729	0.6
243.11284	0.8
257.09244	14.9
259.10782	1.2
261.08731	100.0
262.09076	1.4
263.10364	0.7
273.12189	0.8
276.58502	0.6
285.08725	18.4
287.10284	2.2
302.12732	1.4
305.11374	2.0
313.08215	14.6
329.15253	1.1
331.09280	15.5
332.09750	0.6
347.16141	0.8
360.13232	0.8
361.14267	1.5
374.15005	1.1
388.16592	1.4
390.18069	1.0
398.17105	24.2
398.22354	1.1
406.17676	11.9
408.19138	2.0
426.20117	1.0
434.17010	4.7
444.21130	1.3
452.18295	3.6
454.19861	2.7
455.97922	0.7
468.17673	8.7
470.19763	0.8
472.20651	1.0
480.17685	28.5
498.18628	1.1
589.26801	6.9
607.27643	1.0
617.26086	35.8
618.25928	1.5
635.27429	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
57.72832	0.3
61.02909	0.4
64.47028	0.3
67.05493	1.0
67.21093	0.3
69.03425	0.8
69.07074	0.4
71.50160	0.3
79.05486	1.2
81.03418	0.8
81.07047	0.7
85.02937	0.4
89.06040	0.4
91.05477	1.4
93.07025	1.1
94.06562	1.5
95.04957	0.6
95.08624	0.4
98.20773	1.2
105.07020	1.5
106.06559	0.6
107.07362	2.9
107.08570	1.2
108.08199	0.4
109.10142	0.6
114.87655	0.4
117.07002	0.4
118.06561	0.4
120.08079	1.0
121.10135	0.4
122.06061	0.6
122.09679	14.0
131.07602	0.4
131.08536	1.7
132.08060	0.5
133.08762	0.4
134.09651	0.6
136.07594	0.6
146.09682	0.6
148.11215	8.2
150.09166	2.0
150.12741	0.6
158.09666	0.9
158.10913	0.4
159.08017	0.5
164.07104	0.5
166.08723	0.5
172.06343	0.5
173.07233	0.4
176.10718	6.0
185.07082	3.3
186.07858	2.4
186.09195	0.6
187.08722	3.8
188.10698	0.7
189.06670	0.6
191.08211	0.9
194.11778	5.5
196.13293	0.6
199.05048	4.9
200.05836	2.5
203.08118	1.0
204.10205	13.0
205.09712	1.2
212.34846	0.4
213.06598	3.8
214.07356	1.4
215.08133	4.8
216.05421	0.6
217.06111	3.8
218.06877	4.0
219.07640	0.4
222.11212	0.8
229.06049	0.5
229.27718	0.4
231.07585	2.4
233.09209	4.4
241.06042	0.8
247.07309	0.9
249.08765	0.8
250.09518	0.9
251.10260	3.9
257.09183	1.2
259.07181	7.4
261.08820	1.0
275.06555	2.2
276.07449	1.0
277.08206	100.0
278.08591	1.4
283.15402	0.4
285.08694	1.0
287.10443	0.7
288.11304	0.4
302.12921	3.3
303.09412	0.4
313.08197	1.4
315.13699	0.4
316.14594	0.7
330.15857	0.5
331.09241	1.1
331.16864	0.5
348.17337	0.4
360.13409	3.2
361.14258	4.2
364.20251	0.8
367.15085	0.4
368.34622	0.4
374.14865	2.1
375.15671	2.1
378.14267	0.4
389.17242	1.4
390.18182	12.3
392.19711	0.5
404.15839	0.7
406.17401	1.2
408.19125	0.8
412.14932	0.5
414.16635	40.7
415.17041	0.7
417.17029	0.8
418.17615	4.9
419.14777	0.6
434.17316	0.7
438.25876	0.5
452.18225	6.5
454.19849	1.1
462.16476	0.4
470.19366	1.8
472.20779	2.1
480.17697	19.4
498.18729	4.9
527.26740	1.0
589.26624	9.4
590.26819	0.5
607.27533	1.1
617.26074	15.0
627.78223	0.4
635.27063	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	635.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
61.13329	0.6
69.46945	0.7
71.03199	1.3
76.98843	0.6
94.06574	1.1
98.62379	0.7
100.28842	0.7
105.07075	0.8
106.06562	3.2
107.07340	10.8
108.08121	0.9
111.57066	0.7
117.93333	0.7
120.08087	2.4
122.06059	1.5
122.09675	100.0
123.10011	1.3
136.07623	3.4
138.09164	1.2
146.09674	1.4
148.07602	0.7
148.11226	3.4
150.09142	1.7
164.07083	3.3
166.08669	2.3
174.09145	1.3
176.10683	6.3
181.09770	2.4
191.08171	1.8
202.07068	1.1
202.08681	3.0
203.08209	1.3
217.09723	3.5
220.09700	5.1
229.06046	0.8
230.08119	1.6
233.09435	0.9
235.10789	7.1
245.09283	1.4
257.09018	1.2
259.10944	1.9
261.08716	31.8
271.11002	1.0
272.09241	1.0
285.08798	1.3
287.10446	3.6
305.07996	1.4
305.11374	1.9
307.13132	1.2
313.08160	1.6
315.10019	0.8
361.14374	1.5
390.18240	2.7
398.17130	8.0
408.19092	0.8
418.17752	1.1
436.18713	13.9
452.18161	1.6
454.19711	2.0
468.17792	0.9
470.19046	4.7
472.20856	1.5
480.17734	1.3
527.26868	1.4
555.25659	0.8
573.27051	8.3
581.99524	1.1
591.28094	1.5
599.24854	4.2
617.25928	3.2
635.26538	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.0
55.01879	0.8
58.74835	0.5
67.05494	1.1
70.62118	1.8
71.02472	0.8
79.05476	1.5
80.05026	1.3
81.05805	1.4
82.06586	1.0
91.05487	3.6
93.07055	5.5
94.06591	7.3
95.04966	1.0
95.07362	7.9
96.04552	0.6
96.08142	13.0
97.06559	1.4
103.05476	1.0
106.06565	1.6
107.07349	2.0
108.08127	10.4
109.08894	1.1
109.44218	0.5
110.09688	23.2
118.06517	0.8
120.08115	23.9
121.06530	0.8
121.08921	1.7
122.06044	6.0
122.09671	3.0
122.10401	0.5
124.07560	1.4
127.94933	0.5
128.98602	0.5
129.57977	0.6
136.07578	5.2
138.09151	100.0
140.07056	2.1
140.10672	0.8
146.09622	1.5
148.07550	1.4
150.09149	1.8
153.46413	0.5
160.07675	0.7
162.05547	0.7
164.07086	12.3
166.08656	5.6
174.09158	3.4
177.06615	2.8
181.09740	8.0
188.07112	2.5
191.08142	7.8
192.10222	0.6
202.08702	6.5
203.08192	2.2
204.06583	1.2
205.09846	0.7
217.09656	2.6
219.11201	1.0
220.09769	2.4
225.10591	0.6
229.06117	0.8
230.08160	4.1
235.10809	1.6
243.11488	0.8
244.09677	0.9
245.09261	2.6
247.10794	1.3
248.09215	4.3
257.16388	0.7
259.10898	0.9
261.08746	8.9
262.10791	0.6
263.10300	3.7
265.12009	0.8
272.09146	2.8
277.11893	0.6
279.13312	0.8
283.14496	0.7
285.08685	0.6
287.10333	3.2
288.15332	0.6
289.11859	0.9
290.10205	1.1
291.09882	0.5
305.08310	0.7
305.11224	3.5
307.12872	5.9
331.09134	0.8
333.10849	1.1
342.65918	0.7
352.16809	0.8
380.16187	0.8
398.17047	4.6
406.17624	1.4
424.18927	1.6
426.20261	2.3
434.17267	1.3
444.21335	3.4
452.18222	4.1
454.19800	5.5
470.19250	17.1
472.21014	4.4
480.17657	5.6
498.18674	1.5
499.23843	0.6
543.25897	2.1
571.25537	3.5
589.26642	11.0
599.24811	1.0
607.27704	1.9
617.25928	7.8
635.27509	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
55.01858	0.6
63.19545	0.7
67.05505	1.0
69.57774	3.1
69.58179	1.1
71.02470	0.9
74.61214	0.6
79.05476	1.8
80.05009	1.3
81.05791	1.0
82.04364	0.7
82.06572	1.1
91.05495	3.2
93.07050	5.7
94.06580	7.6
95.04976	1.0
95.07347	6.8
95.08577	0.7
96.08146	13.9
97.06532	1.3
98.06076	0.9
103.05493	0.9
105.04520	0.7
106.06571	1.3
107.07344	2.3
108.08121	11.7
109.08900	1.4
110.09687	26.0
120.08116	23.1
121.08880	2.3
122.06049	5.5
122.09689	2.9
124.07613	1.3
131.07350	1.1
136.07616	5.6
138.09148	100.0
139.09511	0.7
140.07071	0.7
140.10701	1.2
146.09648	2.2
147.04407	0.7
148.07567	1.4
149.07141	0.7
150.09158	2.7
152.06964	0.8
164.07065	10.9
164.93474	0.6
166.08636	5.6
174.09169	4.8
177.06593	2.6
181.09735	7.5
188.07027	1.8
189.10063	0.7
191.08180	7.6
192.10077	1.1
198.08096	0.6
202.07025	0.7
202.08778	5.4
203.08170	4.0
204.06615	1.5
216.10202	0.8
217.09763	2.9
220.09721	3.4
229.06229	1.1
230.08180	3.6
235.10789	1.9
243.11368	0.9
244.09746	0.9
245.09238	3.7
247.10844	1.1
248.09259	3.4
259.10739	1.7
261.08728	18.0
261.11575	0.9
263.10291	3.7
271.07269	0.7
272.09192	2.4
279.13428	0.8
285.08737	1.3
287.10324	4.6
289.11914	1.1
290.10178	1.0
305.11288	3.4
307.12909	6.1
313.08295	1.1
331.09201	1.9
333.10745	1.8
340.12946	0.9
363.22556	0.6
398.17178	6.4
406.17725	1.8
408.18890	0.7
426.20343	1.5
434.17209	1.5
444.21432	3.8
452.18127	5.6
454.19733	5.9
470.19196	15.6
472.20950	5.2
480.17709	10.4
481.38943	0.6
498.18707	2.5
543.18164	0.8
543.26062	2.4
571.25336	3.2
589.26636	11.7
599.25494	1.0
607.27893	3.7
608.03168	0.8
617.16620	1.4
617.26001	13.2
635.26624	3.6
635.80542	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.9
55.01887	0.7
65.03951	0.7
70.78040	1.9
71.02474	1.0
72.24693	0.7
77.03937	0.8
79.05488	2.4
80.05016	1.7
81.05796	1.2
82.06571	1.7
91.05485	3.0
93.05782	1.1
93.07054	6.1
94.06573	7.6
95.07354	8.7
96.07576	1.2
96.08138	14.6
97.06490	1.1
98.06059	0.7
103.05479	1.0
106.06589	1.4
107.07342	3.5
108.08123	12.1
109.08884	1.2
110.09690	25.3
115.21789	0.6
119.04936	0.9
120.07250	1.5
120.08104	23.7
121.06538	0.8
121.08891	2.2
122.06030	6.1
122.09653	6.6
123.06780	2.1
124.07590	1.6
129.06973	0.8
131.07307	2.0
132.08131	0.8
134.09654	1.1
136.07591	7.7
138.09145	100.0
139.09502	0.7
140.07076	1.4
140.10727	1.4
146.05931	0.8
146.09656	4.8
148.07611	1.2
150.09142	10.3
153.10202	1.2
164.07069	11.1
166.08650	6.0
174.09131	7.8
177.06599	3.6
181.09726	7.6
188.07129	1.8
191.08133	8.0
192.10194	2.1
201.06709	0.8
202.07265	3.0
202.08925	5.6
203.08183	2.5
204.06516	1.3
206.08258	0.8
217.09740	5.4
219.11246	1.1
220.09711	5.3
229.06071	1.0
230.08154	4.2
233.09262	1.6
235.10759	1.1
243.11386	1.4
244.09799	1.5
245.09268	3.9
248.09204	2.4
257.09189	3.3
259.10721	1.8
261.08719	38.8
263.10318	4.5
271.07098	1.0
272.09128	2.4
285.08682	3.7
287.10172	5.8
289.12186	1.7
297.52286	0.7
299.10297	0.9
301.12399	0.9
305.08240	0.7
305.11285	3.3
307.12936	5.9
313.08188	4.2
331.09271	5.6
333.10837	1.5
363.16885	1.0
398.17102	7.3
406.17545	3.7
408.19815	0.7
424.19034	1.0
426.20557	1.0
434.17093	4.7
444.21341	2.5
452.18243	5.5
454.19711	4.6
468.17828	2.6
470.19266	11.5
472.20941	2.7
480.17657	12.3
498.18872	1.3
543.26062	2.0
571.25226	2.3
589.26495	7.8
607.27576	1.6
617.26178	10.7
635.26953	2.7
660.08844	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.4526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.0
55.05503	1.5
55.60408	0.8
57.07080	20.5
59.04996	0.9
64.55661	0.9
69.07068	1.9
69.68249	3.9
71.08639	40.4
73.06550	2.7
79.05495	1.1
81.07076	0.8
85.09679	0.7
85.10192	22.3
87.04478	16.8
89.06038	100.0
90.06326	1.0
91.05480	10.9
91.07606	1.0
93.07050	6.2
94.37120	0.7
95.04981	1.2
98.21424	1.2
103.05461	2.3
105.07036	3.5
107.04960	3.2
107.07028	1.0
107.08583	1.8
117.06927	1.6
117.09093	1.3
119.04978	2.2
119.08562	4.3
121.06517	22.4
121.10146	2.5
123.07967	0.8
127.14831	2.2
130.08539	0.8
131.07010	6.2
131.08601	1.7
133.08614	64.9
134.14539	0.8
135.08067	5.5
135.11652	2.0
136.05209	1.2
145.10126	1.8
147.08052	8.8
149.09621	3.3
151.59221	0.8
159.11623	1.1
163.11172	2.7
165.09148	12.4
167.10667	1.8
175.09674	3.3
175.11098	1.0
176.70367	0.8
177.11259	26.4
177.12718	1.4
191.10690	3.4
193.12146	1.8
197.18436	0.8
209.11786	5.7
211.13315	2.3
219.12274	0.9
221.13828	4.8
235.13229	2.1
239.14935	1.1
245.19122	0.8
247.20610	17.0
253.14328	1.4
255.15915	1.4
265.16589	2.0
273.22064	3.1
279.15988	1.2
289.25064	1.2
291.23206	30.7
299.18375	1.1
309.44983	0.9
317.24680	1.3
335.25800	6.1
356.15967	0.8
356.21207	0.8
359.20721	1.7
400.48285	1.0
403.23022	1.1
491.28635	4.9
546.69354	0.8
573.40131	1.2
617.42413	8.1
634.45117	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.6
55.05507	5.8
57.03430	4.4
57.07069	3.1
59.05000	13.6
61.02919	3.2
67.05492	17.0
69.03432	5.9
69.07049	6.7
70.33543	2.4
71.04990	3.2
71.48674	3.0
79.05494	13.7
81.03416	4.1
81.07050	13.8
83.04979	6.4
83.08617	2.9
85.02902	9.0
85.06564	3.3
88.54488	3.0
91.05470	18.5
93.07041	22.1
94.06605	2.7
95.04971	21.6
95.08608	17.1
97.02900	3.7
97.06527	5.1
105.07041	25.5
107.04964	3.7
107.07357	6.6
107.08604	21.5
109.06533	7.2
109.10167	7.4
111.08078	3.9
115.05457	3.7
117.07017	5.5
119.08584	21.0
121.06532	4.7
121.10145	23.2
122.09678	38.1
123.08082	9.7
123.11726	4.5
125.05965	2.6
125.09637	3.5
127.03983	3.9
128.07715	2.7
129.07022	5.7
130.07730	2.9
131.08533	18.1
133.10130	18.9
135.08063	4.1
135.11739	3.7
137.06036	2.7
137.09592	5.3
142.07800	5.5
143.08589	9.9
145.10126	18.9
147.08022	5.0
147.11687	3.1
148.11224	19.4
149.09628	7.6
150.09158	13.7
151.07535	10.8
155.08533	4.6
157.10146	11.7
159.08058	7.3
159.11708	10.7
161.09616	7.3
161.13289	3.6
163.11255	5.0
165.09132	3.8
167.08612	3.7
167.10680	16.6
169.10201	6.4
171.11719	10.2
173.09634	2.9
173.13261	6.5
175.11191	5.4
176.10718	17.1
180.09288	2.7
181.12201	6.5
183.11758	4.9
185.13292	6.3
185.29547	2.6
186.09074	3.2
189.12863	5.2
191.14307	4.3
193.12209	3.3
194.11839	6.4
195.11765	5.5
196.12436	2.9
201.06618	10.4
202.07449	7.0
204.10207	60.5
207.11667	4.3
207.13744	5.6
209.13324	3.5
213.10179	3.9
214.01346	2.6
215.08154	8.6
215.14330	4.6
216.08904	7.6
217.09796	9.8
221.13403	3.9
221.15393	10.1
227.08122	5.4
227.11862	3.0
231.11371	8.1
233.09259	6.1
233.15372	6.0
235.10837	4.5
239.08127	3.1
240.08934	3.5
241.09741	3.2
242.10545	2.9
249.12415	4.6
255.11412	3.1
257.09286	16.7
260.08026	14.3
261.08743	94.0
271.10925	4.0
275.10275	100.0
284.07932	9.2
285.08676	21.2
286.09576	17.0
287.10318	7.8
299.10287	27.1
301.11838	55.8
302.12845	8.0
313.08075	17.5
315.09747	2.9
317.15018	4.3
321.14539	3.2
327.09811	25.9
329.11417	8.3
331.09268	24.0
345.10837	28.7
347.12436	21.4
361.14139	9.7
374.14853	4.9
390.18213	24.1
392.19690	8.6
398.17239	18.3
412.18723	17.3
418.17615	38.1
436.18619	10.1
442.23151	3.9
452.21994	3.2
463.71967	3.2
464.18207	16.9
468.21649	14.8
470.22882	21.4
478.19824	52.5
482.19373	22.8
483.19916	8.4
484.20972	5.0
496.20746	25.2
573.27167	17.4
601.26624	22.1
605.29663	32.4
615.28247	79.3
615.39063	6.2
633.28961	38.5
633.41174	22.4
653.40808	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	633.292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	1.8
59.05001	5.5
64.01726	1.5
67.05506	3.7
69.07072	2.4
71.49854	1.6
79.05486	4.8
81.07053	5.4
83.04995	1.6
85.02902	2.6
89.06041	3.2
91.05499	7.4
93.07050	5.7
95.04970	3.4
95.08620	2.6
97.06551	2.8
105.07037	5.6
107.08585	4.3
109.06440	1.9
109.10130	3.0
117.09127	1.8
119.08604	3.6
121.10160	5.2
122.09680	1.5
123.08064	1.8
125.09582	1.4
131.08562	3.7
133.10135	2.3
135.08049	1.9
136.07590	1.4
143.08556	2.0
145.10182	3.8
147.08020	1.8
147.11635	1.3
148.11208	5.7
149.09673	2.7
149.37730	1.3
157.10139	2.2
159.08002	1.3
159.11783	1.4
163.11119	1.9
164.67999	1.3
167.10692	4.9
170.08366	1.4
171.11710	1.5
176.10727	2.3
183.09262	1.6
186.09183	2.0
198.07922	2.1
200.09447	1.6
201.06532	2.6
202.07385	9.9
204.10204	18.9
211.08722	3.3
212.09439	2.3
213.10368	6.9
213.12683	1.2
215.08272	1.4
217.09813	6.7
221.15411	2.6
222.63551	1.5
233.09271	4.5
233.15291	1.7
235.10794	1.8
239.08203	2.5
241.09825	3.0
257.09235	39.4
259.10736	5.0
261.08725	100.0
273.12296	1.6
285.08704	60.9
287.10287	2.4
302.12894	2.6
313.08179	45.9
316.14603	1.3
331.16537	2.1
345.10843	49.3
360.13589	2.5
361.14120	4.8
374.14926	2.8
388.13095	1.6
390.18225	12.4
398.17111	13.3
409.27487	2.2
418.17575	19.2
450.19965	7.5
452.21573	2.8
464.18085	16.6
478.13287	2.6
478.19791	41.9
479.20602	1.9
482.19247	30.8
496.21011	7.9
587.28778	9.7
601.26538	12.5
615.28162	37.2
616.28003	1.6
633.29144	10.6
633.40997	3.6
655.26508	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14977	0.6
55.01856	0.7
55.05499	0.7
57.07072	0.7
59.04995	0.8
61.02937	0.7
62.70070	0.6
67.05492	2.3
69.07054	1.3
69.97758	1.6
69.98149	1.2
79.05477	2.6
81.03366	0.9
81.07034	1.9
83.04972	0.7
91.05467	2.3
93.07036	2.6
95.04943	1.8
95.08599	1.7
99.35796	0.7
105.07021	3.2
107.08592	1.9
109.06496	0.8
109.10155	0.9
110.82301	0.6
117.07059	1.2
119.08588	2.0
120.26060	0.6
121.10118	2.5
123.08072	0.7
131.08594	2.4
133.10106	1.0
135.08054	1.0
135.11607	0.7
136.07613	1.2
137.09607	0.7
143.08533	1.3
145.10086	1.1
147.11674	1.3
148.11211	5.1
149.09631	0.7
151.07567	1.5
157.10136	1.3
159.11655	1.1
161.09576	0.8
163.07509	0.6
163.11220	1.0
165.09099	0.9
167.10686	2.0
171.09235	0.7
176.10666	3.3
184.09993	0.8
186.09125	0.9
187.08702	1.5
197.07086	1.7
198.07904	1.9
200.09479	3.4
201.06543	3.0
202.07373	10.7
204.10194	16.4
211.08667	1.8
212.09450	1.7
213.10251	3.9
215.08174	1.4
217.09732	8.5
221.15352	1.5
226.07268	1.1
229.09709	1.0
231.11264	0.8
233.09181	5.1
235.10786	1.9
239.08228	1.8
241.09674	2.8
257.09213	40.5
258.09689	1.0
259.10840	2.8
261.08713	100.0
262.09094	1.3
269.09222	1.1
273.08563	0.6
273.12393	1.3
285.08685	59.9
287.10175	3.8
299.10297	0.7
302.12952	1.7
313.08185	47.1
317.15308	0.8
319.12851	1.1
322.09119	0.7
344.14047	0.8
345.10815	49.5
361.14117	2.8
390.18256	6.3
398.17130	21.6
398.22263	1.3
418.17560	8.5
450.14688	0.7
450.20142	3.4
452.21707	0.9
464.18176	16.4
465.18344	0.7
478.19757	15.3
482.19257	39.8
483.19501	0.9
496.20779	2.6
561.84155	0.8
587.28418	3.6
591.03589	1.0
601.17310	1.2
601.26624	20.2
615.28241	9.5
633.27094	2.1
633.41296	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	633.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14503	0.4
50.18143	0.4
67.05497	0.6
67.11216	0.4
69.83675	2.3
79.05480	0.8
91.05462	1.3
93.07024	0.8
95.04946	0.9
95.08624	0.9
105.07016	0.6
107.08577	1.3
116.83644	0.5
122.06025	0.7
122.09636	0.7
131.08539	1.2
135.11601	0.5
136.07507	0.5
145.10133	0.6
146.09659	0.5
148.11229	5.7
158.09665	0.6
159.08000	0.5
160.14644	0.4
164.07108	0.6
167.10670	0.8
171.09116	0.7
176.10699	3.6
185.10722	0.8
186.09111	0.8
187.08659	1.9
189.10269	0.8
197.07137	0.9
198.07872	0.6
200.09445	1.3
201.06551	1.9
202.07385	9.6
204.10196	14.7
211.08679	0.8
212.09360	1.8
213.10204	4.6
215.08212	1.1
217.09734	8.2
227.08194	0.6
229.09795	1.0
231.11320	0.6
233.09206	4.2
235.10806	1.5
239.08099	1.5
241.09691	1.8
257.09204	36.4
258.09845	0.6
259.10800	2.9
261.08704	100.0
262.09055	0.9
269.09000	0.7
273.12439	1.1
285.08691	49.3
286.09097	1.1
287.10083	2.4
301.11859	0.5
302.12836	2.4
313.08179	38.4
314.08701	0.7
331.16772	0.7
344.14023	0.7
345.10806	41.2
346.11304	0.9
359.16245	0.5
360.13495	1.0
361.14377	2.7
362.14835	0.8
374.14841	0.6
379.64838	0.5
390.18192	6.4
392.19843	0.5
398.17120	20.9
418.17575	9.4
446.16949	0.5
450.20383	3.9
452.21979	1.0
464.18210	11.7
478.19748	18.7
479.19919	0.6
482.19211	32.2
483.19473	0.6
496.20868	3.0
524.06720	0.5
587.28638	6.8
601.26514	17.1
601.36176	1.0
615.28168	21.3
616.28442	0.7
633.28912	4.6
633.40332	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2887
Annotation	Meliacarpinin B
Peak:m/z	Relative Intensity
50.17003	0.5
53.03931	0.6
55.01892	0.5
55.05515	0.9
57.07079	0.7
59.05007	1.4
59.50182	0.5
67.05495	1.7
69.03434	0.9
69.07064	1.3
71.49903	0.7
79.05504	2.2
81.03439	1.0
81.07048	2.3
83.04990	0.9
85.02920	1.6
89.06033	2.6
91.05477	2.6
93.07053	2.3
95.04974	2.5
95.08621	2.1
97.02892	1.2
97.06523	1.4
105.07026	3.5
106.06519	0.7
107.07336	0.9
107.08607	2.8
109.06506	1.6
109.10158	1.6
117.07000	0.8
119.08598	3.0
121.10155	2.4
122.09674	3.0
123.08061	1.1
123.11702	0.6
127.03947	0.7
129.07019	0.9
131.08612	1.0
133.06467	0.6
133.10150	1.1
137.05959	0.6
137.09644	0.8
141.06648	0.6
143.08530	0.6
145.10126	2.4
145.12245	1.2
147.08031	1.1
147.11702	1.2
149.09630	1.1
150.09171	0.7
151.07597	1.7
157.10132	1.3
159.11670	1.4
161.09659	1.0
163.11162	1.2
164.07153	0.9
165.09193	1.4
167.10696	1.5
169.10132	0.7
171.11801	1.0
189.12828	0.7
196.43332	0.6
203.14458	0.7
207.13812	0.9
221.15437	2.5
243.08485	1.3
317.21106	0.6
329.21182	0.7
408.26669	3.4
409.27316	4.4
415.20972	2.5
457.39590	0.5
471.23471	2.8
605.28918	1.0
615.25116	0.6
633.28827	100.0
634.29303	2.8
658.68427	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18385	1.2
55.01874	3.1
57.04165	1.3
60.86269	1.3
65.03938	1.9
67.05504	6.4
69.26662	11.7
79.05486	2.4
81.07056	1.7
91.05495	7.7
92.48946	1.2
93.05774	2.0
93.07047	2.5
94.06584	11.3
104.72777	1.3
106.06536	1.9
107.07301	1.6
108.08128	15.4
110.06068	1.6
118.06541	2.2
119.04941	5.4
120.08111	3.4
121.06475	1.5
122.06040	11.6
122.09689	10.2
125.85223	1.3
130.06497	1.5
132.08057	1.4
134.06027	4.5
134.09663	3.7
136.07588	16.9
136.11177	1.8
146.09653	6.5
148.11183	3.1
150.09152	1.5
162.05528	14.8
164.05714	2.2
164.07089	35.0
176.07011	1.5
189.06549	1.5
190.05020	4.2
203.08205	3.7
204.10181	2.0
212.07127	1.8
213.10274	2.1
215.08171	3.8
217.09711	4.7
219.07570	1.8
229.09747	4.1
230.08205	1.6
231.07726	3.3
233.09166	3.6
235.10822	14.3
236.09303	1.3
239.08160	2.1
241.06108	1.5
243.11316	1.6
245.09317	6.5
257.09189	3.0
259.08264	1.6
259.10812	1.9
261.08759	5.1
269.12823	1.9
271.10791	4.1
271.14273	2.8
276.11642	1.9
277.12048	7.3
278.12903	2.1
279.14371	1.2
283.61157	1.3
287.10297	1.6
288.11212	1.3
290.12885	2.9
291.13904	3.2
292.14438	3.1
293.16220	4.3
294.12357	1.4
294.15741	1.7
296.72818	1.3
297.12335	2.3
299.10175	2.6
304.14465	6.7
305.11502	1.5
306.12570	2.7
306.15994	31.9
307.14035	2.3
317.11652	1.8
318.12396	2.7
318.15967	4.2
318.79187	1.5
319.13403	3.8
319.16965	2.2
320.13968	3.2
324.17096	5.9
325.15500	5.1
332.14032	9.4
334.15579	2.8
335.16241	3.6
336.13464	1.2
336.17120	20.8
337.14352	2.7
338.14990	3.0
346.15375	3.4
347.16364	6.2
348.13297	2.1
348.17062	8.7
349.15390	3.4
350.14896	6.4
361.14185	2.4
362.14938	4.4
362.18851	1.9
365.17563	3.9
366.13947	2.4
366.18179	27.0
367.16339	9.4
373.13956	2.3
374.15131	7.6
376.12772	7.0
380.15994	11.4
380.19968	2.4
384.19217	24.2
388.16205	1.8
390.18307	20.1
391.16354	3.1
392.15939	13.2
392.20349	1.8
393.14285	2.9
404.15942	2.1
406.17889	8.1
408.19217	100.0
409.17993	2.1
410.16998	8.1
416.16003	3.4
426.20248	51.4
432.15579	4.4
434.17169	27.5
438.20178	5.6
452.18253	27.1
460.15121	5.9
476.18222	2.6
478.16104	10.7
496.17084	1.6
511.23395	2.5
524.82910	1.5
525.24646	2.0
529.24414	4.3
534.77734	1.7
543.26080	3.3
547.25055	1.7
553.24725	3.0
555.22162	1.7
569.22937	2.5
571.25616	9.4
573.23590	2.7
597.23260	7.6
615.24554	13.2
633.25354	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.8
55.01858	1.1
56.05019	0.5
57.03429	1.2
59.04980	0.4
59.12502	0.3
61.02910	1.0
65.72380	0.3
68.05019	0.6
69.03098	0.6
69.03436	7.3
69.75817	0.6
69.76239	1.3
69.99308	2.0
70.06596	3.8
71.04991	3.5
72.08144	1.0
72.95210	0.4
73.02895	1.5
75.39979	0.3
79.05484	0.6
81.03423	7.4
84.04492	1.2
84.08126	1.4
85.02908	8.7
87.00826	4.1
87.01968	0.7
89.06034	2.1
91.03983	0.4
91.05447	0.5
92.02868	0.3
96.04491	11.0
97.02900	4.0
99.04470	1.9
100.07628	0.8
100.43920	0.4
104.05011	0.6
105.01884	1.8
105.05755	1.4
106.06563	5.2
109.02898	5.9
113.06404	0.4
113.07141	4.8
114.05531	0.6
117.01823	0.5
127.03935	8.4
127.04965	1.1
129.01817	0.5
131.06038	0.7
131.08163	5.6
137.05943	1.0
138.09167	0.5
139.05025	1.3
143.08167	18.9
144.06586	0.7
145.04932	1.7
147.04466	0.8
148.11295	0.4
157.06090	100.0
159.02869	2.4
173.12854	2.2
185.12840	3.8
187.05894	0.6
213.03882	0.5
231.04994	0.6
233.11768	0.7
240.08659	0.7
304.16583	1.7
319.11334	0.5
347.14539	0.5
361.12448	10.0
361.17056	0.5
384.15836	6.0
389.19318	1.9
405.11414	28.1
433.17993	0.4
438.24808	0.5
447.16168	0.5
466.18130	0.5
508.22891	9.6
510.17245	0.8
552.21942	9.2
582.28760	0.7
588.22180	5.2
632.21228	25.2
633.22223	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	5.4
67.05493	10.5
69.07064	3.6
71.49503	2.0
75.62767	2.1
79.05494	5.6
81.07067	4.0
82.06570	2.6
89.06026	2.1
91.05476	8.1
93.05818	4.4
93.07046	8.7
94.06563	14.4
95.08621	4.1
96.08148	3.1
97.02911	1.9
105.07057	3.0
106.06572	2.8
107.07336	5.8
107.08517	2.6
108.08114	20.5
110.09693	8.8
117.07003	2.5
118.06522	2.8
119.04931	5.5
120.08085	11.1
122.06023	18.4
122.09679	27.6
122.46668	2.4
131.07327	2.6
134.06042	5.3
134.09680	4.7
136.07596	24.6
136.11246	3.5
137.05951	2.7
138.09143	42.1
145.02986	2.7
146.09637	10.5
147.04427	4.4
148.07651	2.8
148.11226	4.0
150.09181	5.7
162.05508	13.9
162.09125	2.8
164.07060	37.0
174.09206	6.1
175.08800	3.7
176.07071	2.1
176.10762	2.9
187.08728	2.4
188.07080	5.9
189.10286	2.5
190.04996	4.5
190.08667	4.6
203.08136	3.9
204.10258	4.8
205.09700	3.6
207.11366	4.5
213.06561	2.6
213.10199	5.5
215.08211	7.4
216.06790	3.0
217.09715	13.3
219.07635	4.4
220.09714	7.6
225.10300	2.3
229.09814	6.2
231.07785	3.5
231.11305	4.0
233.09215	5.0
235.10776	83.8
243.11342	4.1
245.09248	3.6
253.09703	3.1
255.07680	3.5
257.09161	5.2
259.10797	14.1
261.08722	14.0
262.07239	3.2
271.10876	6.9
271.14319	3.3
276.11136	2.6
277.12201	10.2
278.12756	3.3
285.08990	3.2
287.10284	10.3
289.11600	3.8
291.13815	4.8
292.14471	3.0
293.16364	4.4
299.10434	3.7
302.13071	2.8
304.10925	3.7
304.14426	8.5
305.11322	15.1
306.16025	37.8
313.08347	3.6
317.11465	5.9
318.12640	2.8
318.16171	2.8
320.13950	4.6
320.17517	3.4
324.16980	3.7
325.15417	7.0
326.15192	2.5
330.12628	3.3
332.13983	13.8
336.16959	20.7
343.09164	2.7
347.16489	6.2
348.17102	9.9
349.15506	3.6
350.14816	6.1
362.11121	3.4
362.15054	7.0
362.18958	3.4
365.17465	5.2
366.18118	31.4
367.16675	15.9
374.14896	10.5
376.12839	5.6
378.13959	2.8
380.15869	11.4
384.19202	23.2
390.18158	21.0
392.15753	14.8
393.14716	3.5
396.15588	29.7
404.16177	5.3
406.17593	4.7
408.19199	100.0
410.17078	6.0
414.16516	2.7
416.15942	5.0
419.15182	3.1
426.20245	50.5
430.16138	2.7
432.15375	7.2
434.17316	24.9
438.20319	6.1
452.18185	25.1
454.20163	3.2
460.15024	15.5
466.15979	16.5
468.17615	16.4
476.17941	2.7
478.15503	11.3
496.17517	4.1
511.23312	5.2
529.24530	7.1
553.24469	3.9
569.24988	2.5
571.25513	7.4
587.24823	6.4
597.23206	9.2
605.26190	12.1
615.24573	34.8
633.25378	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	630.4788
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57785	0.4
53.03954	0.5
55.05516	3.6
57.07079	32.3
59.05017	2.4
64.75054	0.4
67.05505	1.5
69.07072	1.9
69.61317	0.5
71.08636	25.8
73.02905	0.7
73.06559	8.1
79.05490	1.8
81.07058	1.6
83.08621	2.0
85.10186	18.4
87.04469	7.1
89.06035	100.0
91.05475	1.9
91.07617	1.1
93.07050	1.8
95.04997	0.8
95.08627	1.5
97.06534	0.6
97.10163	3.1
99.11741	4.6
101.06023	0.6
103.07598	0.6
105.07023	1.7
107.07070	2.1
107.08618	0.8
109.10146	1.1
111.11712	0.9
113.13293	1.1
117.09135	8.1
119.08620	0.6
121.10142	1.1
130.08615	1.4
130.63600	0.5
131.07050	2.0
131.08556	0.8
133.08611	48.9
135.10150	0.8
143.06679	0.5
143.64987	0.5
147.08064	0.6
149.09599	0.5
155.17960	3.5
161.11745	1.4
161.13300	0.5
173.08107	0.7
175.09698	1.8
177.11227	20.2
189.56477	0.6
199.20563	4.9
221.13832	2.7
225.64508	0.5
239.14783	0.7
243.23204	7.5
265.16476	1.0
283.17587	1.2
287.25812	5.3
309.19211	0.7
327.20093	0.7
346.95462	0.5
402.37827	0.7
433.49878	0.7
459.27997	1.9
502.94009	0.6
612.39960	0.6
613.45056	4.0
630.22583	1.0
630.47784	2.1
650.21234	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.6
53.03947	10.4
55.01868	3.6
55.05510	10.9
55.42519	1.5
57.03207	2.1
57.03440	25.3
57.07074	1.7
59.04985	3.4
61.02931	90.3
65.03902	1.5
66.65879	1.5
67.05508	36.9
69.03091	2.3
69.03435	38.2
69.03789	1.3
69.07079	8.3
70.73312	5.1
71.01361	3.8
71.04977	5.3
73.02573	2.1
73.02923	27.8
75.04475	1.7
75.43655	1.5
79.05499	43.1
81.03423	25.6
81.06591	2.6
81.07061	40.8
83.01326	2.3
83.04969	4.6
83.08604	5.1
85.02909	100.0
87.04472	4.1
91.03957	65.5
91.05490	24.7
93.07048	45.8
95.04960	5.6
95.08064	2.1
95.08619	25.3
97.02898	83.5
97.06528	3.1
97.10179	3.2
99.04465	16.3
99.08076	2.9
99.24254	1.4
101.02374	7.5
103.03934	11.0
105.07043	20.0
107.04924	2.7
107.08591	17.9
109.02892	12.5
109.06531	3.3
109.10161	16.7
111.04436	3.0
111.08089	2.0
115.03899	5.9
117.05487	3.4
117.07008	8.1
119.08578	13.9
121.09347	1.9
121.10150	25.8
123.08112	1.5
123.11690	7.1
124.73573	1.4
127.03921	36.6
128.06165	1.6
129.05482	4.2
129.07016	4.5
131.08585	15.3
133.06456	2.1
133.10139	14.1
135.11697	18.3
137.09604	2.8
137.13228	2.3
143.08488	2.0
145.04971	23.1
145.10110	12.5
147.08034	3.4
147.11691	10.7
149.09575	3.2
149.13272	7.2
151.07530	2.2
151.11061	1.8
155.08553	1.9
157.10178	3.2
159.06541	4.5
159.11676	10.1
161.09647	1.7
161.13235	4.0
163.06007	5.9
163.11209	3.5
167.10719	2.3
169.10211	2.3
171.06583	2.5
171.11655	2.4
173.13289	6.4
175.11224	2.5
177.12660	2.5
181.10367	2.1
183.06508	6.6
183.11703	2.8
187.11238	2.0
187.14871	2.8
197.13284	2.1
199.11162	2.1
201.07576	4.0
213.16409	1.8
215.18004	14.5
231.17477	2.9
233.19017	13.1
275.19916	2.1
307.22696	73.7
323.20074	1.9
341.20706	1.7
415.24750	3.5
433.26050	2.3
451.26932	6.9
631.39954	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	630.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	21.0
55.05516	8.9
57.03439	13.7
57.07079	35.7
59.05007	48.7
60.05316	2.8
65.27483	3.0
67.05502	14.9
69.07064	9.8
71.04987	15.1
71.08641	27.5
71.10358	6.3
72.14818	2.9
79.05497	20.2
81.07062	20.2
83.04988	3.4
83.08619	7.3
85.10187	10.3
87.04478	5.7
89.06039	7.4
91.05471	19.0
93.07063	16.3
95.04990	5.8
95.08620	21.9
97.06558	5.1
99.04468	9.3
103.05475	7.3
103.07573	9.8
105.03378	4.1
105.07034	36.7
107.04946	14.9
107.08591	7.0
109.10149	9.3
115.05476	5.4
115.07528	3.5
117.07030	10.5
117.09114	7.7
119.04923	5.9
119.08591	6.2
121.06498	15.0
121.10231	3.3
128.06224	3.1
129.05537	3.6
129.07010	6.3
131.08531	18.2
133.06488	22.0
133.10161	4.4
141.06960	4.8
145.10175	7.3
151.07559	8.8
155.08585	7.7
157.10139	5.9
159.08025	10.1
161.06020	34.1
167.07040	41.0
171.01961	3.3
173.08118	18.6
173.09668	11.2
175.07634	4.4
175.13231	3.4
177.09171	4.3
179.07011	19.3
183.08125	3.5
187.07545	10.6
201.09140	14.0
205.08487	8.0
211.07657	4.9
219.10158	8.8
229.08566	18.1
239.23752	4.0
247.09694	23.1
313.27377	100.0
339.14383	6.0
391.73395	3.2
396.58136	3.3
411.30960	14.4
630.29120	11.0
630.47760	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	629.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01570	0.4
50.83430	0.3
51.02367	0.5
53.03927	1.1
55.05505	0.4
65.03918	1.0
67.05505	14.2
70.54051	1.3
79.05494	20.7
81.03412	0.5
81.07027	1.1
91.04993	0.6
91.05486	6.9
93.07016	1.0
95.04944	1.5
95.08569	0.4
96.08132	0.9
103.05444	1.5
105.03363	1.0
105.07043	2.7
106.06529	0.6
107.04918	1.0
107.08587	0.4
115.05444	3.5
116.06181	1.3
117.07018	8.7
119.08582	4.5
121.10127	0.7
124.07598	0.8
128.06227	9.4
129.06999	6.7
130.07761	0.5
131.08566	6.8
133.06479	0.4
133.10077	0.5
135.08005	0.4
136.07568	0.7
141.06960	1.1
142.07771	0.7
143.08562	16.8
144.09143	0.5
145.06461	1.8
145.10107	2.8
146.05968	1.7
147.08038	0.9
149.09583	0.4
152.06168	0.6
153.07071	1.8
155.05936	0.5
155.07265	0.4
155.08546	8.8
157.10089	0.8
159.08058	0.8
165.06996	10.0
166.07777	6.0
167.08578	4.1
168.09346	1.9
169.10086	1.6
171.08043	4.1
173.05983	4.7
173.09639	0.5
178.07770	2.7
179.08559	36.4
180.09340	5.5
181.08720	0.6
181.10139	6.0
183.08125	0.7
183.11766	1.3
186.09154	0.5
188.10701	0.7
192.09338	4.5
193.10143	3.9
194.10925	19.9
195.11641	0.8
196.07523	0.8
197.09569	0.5
197.13280	2.4
198.10423	1.2
200.10703	0.8
207.11705	4.5
209.13261	62.0
210.13690	0.5
212.14378	0.6
213.12721	0.7
214.08641	2.8
214.15895	0.6
216.10197	47.9
219.10417	0.8
224.14362	1.1
225.12743	1.7
228.10194	0.7
233.09750	0.4
234.12799	0.7
235.11223	1.0
237.11470	0.7
240.13783	1.5
242.08131	23.1
250.12157	0.4
252.13844	17.4
253.12279	3.7
254.08138	1.7
268.13287	1.4
270.14893	39.6
271.15338	0.6
284.16461	1.3
296.12805	8.6
302.17505	68.9
303.17758	0.7
328.15436	6.8
533.32117	0.4
565.26788	0.5
590.03625	0.4
597.20245	0.4
597.29559	7.9
629.32208	100.0
630.32599	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	629.2245
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
55.05566	0.6
59.13957	0.6
63.06721	0.6
67.05584	0.8
70.74129	1.6
79.05582	1.0
81.07165	0.8
91.05607	0.6
95.05073	0.7
105.07191	0.6
109.06641	0.7
111.15836	0.7
243.11502	0.7
253.56664	0.5
290.76395	0.6
310.75159	0.6
350.20111	0.5
355.46750	0.7
355.67615	0.6
387.49216	0.6
396.12338	1.3
397.13229	2.6
398.14063	1.8
399.14725	1.8
400.15662	0.9
409.13071	0.8
410.13538	3.5
411.14572	8.2
412.15207	5.0
413.16272	4.2
423.14795	2.7
424.10706	1.1
424.16006	3.0
425.16275	16.0
426.17032	11.3
427.17831	3.6
428.18686	4.4
438.13254	3.2
439.13623	20.1
440.13171	1.0
440.18985	9.0
441.19333	41.9
442.20111	1.4
452.14560	4.7
453.15485	25.4
454.15723	6.3
456.18243	2.5
463.14267	1.1
467.17197	28.0
468.17960	19.6
469.18887	12.6
471.16849	1.5
478.16434	0.9
480.18112	0.8
481.14728	10.5
482.15793	2.5
483.16949	1.1
484.22238	3.7
485.18246	1.9
485.22595	0.6
486.18719	0.8
495.16681	2.1
496.17181	14.2
497.17560	1.3
498.18814	1.4
499.19797	2.3
500.20621	4.1
509.18338	2.0
512.21094	1.6
513.21863	5.4
514.22089	1.1
523.19922	0.9
526.18561	0.9
528.19818	1.4
541.20868	47.4
542.21375	2.6
553.20801	1.5
554.17499	1.2
569.20300	100.0
570.20691	5.8
572.19122	1.1
573.23608	3.8
597.19623	30.1
598.19958	1.4
600.21808	2.3
601.22961	13.0
602.23145	0.8
609.54614	0.6
629.22186	71.6
630.22675	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	629.297
Annotation	Primary fluorescent chlorophyll catabolite
Peak:m/z	Relative Intensity
55.05515	1.4
57.03429	1.2
57.07084	1.3
59.05001	5.2
67.05495	4.7
69.07066	3.0
69.50628	1.0
69.68341	3.5
69.68752	2.9
71.08616	1.8
79.05494	3.7
81.07063	6.8
83.08602	1.8
85.10163	1.0
89.06038	6.9
91.05462	3.1
93.07029	2.4
95.08611	3.4
97.10158	1.2
99.89823	1.0
105.07048	3.3
107.04993	1.3
107.08611	3.4
117.09142	1.4
119.08586	2.2
121.06540	1.1
131.08548	1.2
133.08612	3.0
133.10162	1.8
140.48265	1.1
147.11711	1.3
177.11253	1.4
201.29395	1.2
229.29234	1.2
276.15027	1.2
339.07724	1.2
351.25449	1.1
353.17938	1.9
379.19284	1.5
393.16916	1.8
407.18768	2.1
408.19580	2.5
409.20477	6.2
421.20685	2.2
422.21655	1.6
423.21997	9.5
424.22693	1.7
435.22067	3.4
437.23502	2.6
449.23599	1.4
450.24051	1.4
454.19977	3.4
461.23328	3.2
463.21750	2.1
467.20624	5.0
476.22281	1.9
477.22891	4.9
478.23755	2.2
481.22900	1.2
482.23364	3.5
493.22192	2.7
495.24072	2.9
508.24753	8.5
509.25903	8.7
510.26202	5.7
511.27457	7.6
517.39038	1.6
525.28790	4.6
537.24969	18.2
538.25793	2.1
541.24176	5.1
542.28827	3.6
554.25482	1.8
569.27704	18.0
597.27094	36.7
598.27203	2.7
601.30255	3.3
611.46490	3.8
629.29742	100.0
629.47278	4.4
630.30054	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	628.4781
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.8
55.05524	2.3
57.03436	4.1
57.07080	12.1
58.06604	25.7
59.04979	1.4
59.07389	7.3
59.76083	0.5
60.08171	6.4
67.05506	6.5
69.07037	1.6
69.16404	3.6
69.16805	1.4
71.08633	9.0
72.14404	0.5
72.97992	0.4
73.02894	0.7
73.06527	1.5
75.04440	1.6
79.05451	0.7
81.07054	2.7
81.84322	0.5
83.08586	2.0
85.02872	1.9
85.09737	0.6
85.10184	6.2
87.04482	4.1
89.06035	26.0
91.05486	1.0
93.07029	0.6
95.08575	2.2
97.06508	0.9
97.10120	1.3
98.21530	1.0
99.11703	0.8
100.11228	0.5
102.05560	0.9
105.05473	0.7
107.08617	0.7
109.10168	3.7
111.11709	0.8
113.05994	1.5
113.13263	1.0
117.09095	1.6
118.26943	0.6
130.08655	0.9
131.07013	1.9
133.08604	13.4
133.10080	0.7
144.10202	12.7
150.99864	0.5
159.06468	0.5
161.11621	0.5
162.11288	3.5
177.11264	5.6
200.12834	0.7
218.13792	0.6
221.13687	1.2
236.14940	76.3
237.12477	0.5
237.15163	0.6
259.88156	0.5
285.27927	1.7
313.27451	0.8
328.24942	0.7
329.30438	0.9
350.23764	0.5
361.87589	0.5
372.23709	4.8
390.24881	8.4
412.38068	1.0
415.25507	1.4
456.36890	6.1
474.31076	0.6
474.37903	13.0
605.49292	0.6
611.47382	1.4
628.47864	100.0
629.48322	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.8
51.44726	0.3
53.03945	1.7
54.65548	0.3
55.01879	0.6
55.05501	0.6
57.07080	0.3
59.04993	0.6
67.05515	1.8
69.07075	0.5
70.01659	0.4
70.01972	1.4
73.06548	0.6
77.03922	0.5
79.05495	6.9
80.05843	0.3
81.07055	1.9
83.81801	0.3
87.04476	4.5
89.06036	38.4
91.05483	6.7
91.07612	0.3
93.07052	3.9
95.04980	2.0
95.08623	1.0
97.06541	0.3
103.05476	5.8
105.07037	100.0
106.07366	1.0
107.04961	1.4
107.07085	0.6
107.08597	0.6
108.08907	0.3
108.73464	0.3
109.06554	0.4
109.10188	0.3
113.95425	0.3
117.07008	1.4
117.09073	0.3
119.04964	1.7
119.08575	3.7
121.06513	21.9
121.10110	0.5
128.06190	0.6
129.07013	2.7
131.07045	1.7
131.08559	5.3
132.05782	0.4
133.08612	25.4
133.10176	1.1
135.08054	0.8
135.11717	0.4
143.08609	0.3
145.06512	0.7
145.10162	0.4
147.08057	20.1
149.09613	5.0
149.99594	0.3
155.08690	0.4
165.09146	3.6
166.07774	0.6
173.09613	0.3
175.09703	1.0
175.11162	0.4
177.11230	9.6
179.08575	0.5
181.10158	0.6
191.10706	0.6
193.12355	0.3
209.11708	1.8
221.13834	1.8
221.21872	0.3
222.10455	0.4
223.11208	1.8
225.12762	11.2
249.12759	1.8
251.14265	1.8
253.14462	0.5
269.15375	4.6
271.15421	0.5
275.20087	0.7
283.17606	0.6
295.16873	0.3
297.17044	0.3
313.18109	1.8
315.18118	1.4
327.17334	0.3
335.25952	0.3
359.20706	1.0
373.21637	2.9
403.23264	7.1
429.56647	0.3
463.27176	0.7
507.22556	0.5
507.29602	6.3
611.35828	1.5
628.37061	0.4
628.46765	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.5
53.03952	1.9
55.01865	0.8
55.05503	1.3
57.03419	0.4
59.04996	0.6
67.05514	2.5
68.05827	0.4
69.03425	0.5
69.07070	2.4
69.21796	2.7
69.22201	0.7
70.07368	0.4
73.06548	0.6
77.03912	0.8
79.05492	8.2
79.05914	0.3
80.05835	0.7
81.03421	0.5
81.07053	2.9
83.04958	0.5
83.08635	0.4
87.04475	4.6
89.06031	36.3
91.05482	7.8
91.97357	0.3
92.58509	0.4
93.07045	5.2
95.04984	2.1
95.08613	1.0
97.06514	0.6
97.10170	0.5
103.05469	5.6
105.04521	1.0
105.07032	100.0
106.07401	0.9
107.04973	1.6
107.07076	0.7
107.08609	1.2
109.06520	0.6
109.10161	0.8
117.07030	1.3
117.09138	0.5
119.04958	1.6
119.08581	4.2
120.08929	0.4
121.06506	22.1
121.10149	1.2
128.06195	0.5
129.06973	2.2
130.08690	0.5
131.07011	1.2
131.08566	4.5
133.08604	27.7
133.10179	1.3
135.08069	1.0
135.11667	0.5
143.08606	0.5
145.06506	0.7
145.10124	0.6
147.08051	20.4
147.11720	0.4
149.09615	5.3
150.10037	0.4
157.10130	0.4
165.06923	0.6
165.09125	3.4
169.10118	0.4
173.13235	0.4
175.09686	0.9
175.11168	0.7
177.11224	9.1
181.10101	0.7
191.10637	0.7
193.12228	0.7
195.11900	0.4
209.11671	2.1
221.13763	2.1
223.11186	1.6
223.13171	0.5
225.12755	10.6
226.13098	0.4
246.15778	0.6
249.12837	1.3
251.14337	1.5
253.14420	0.7
269.15366	5.3
271.15350	0.8
274.18680	0.5
275.20233	0.4
276.20502	0.6
283.17664	0.5
291.19571	1.5
292.19907	1.2
297.17026	0.5
309.19101	0.4
313.17935	1.6
315.18033	1.6
344.55658	0.4
350.24118	0.4
359.20731	1.1
373.21570	2.6
403.23291	8.5
403.28281	0.7
419.24121	0.7
463.26917	1.0
500.77457	0.4
507.29596	7.0
595.68384	0.3
610.45172	0.6
611.35315	0.9
628.38800	4.9
628.46277	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.5
56.96556	0.5
62.23247	0.4
65.64068	0.4
69.29786	1.1
69.30208	2.5
76.16579	0.4
79.05487	0.7
85.02915	0.5
91.05486	0.8
93.07050	1.2
97.02932	0.4
98.18220	0.4
98.27763	0.4
101.21569	0.4
103.05479	7.1
107.04951	1.6
110.97565	0.6
120.08114	100.0
121.08431	0.8
131.04912	2.5
137.05954	1.1
149.06003	1.6
163.03967	2.0
166.08655	47.7
191.07005	0.7
211.74460	0.4
253.00142	0.7
257.08414	0.4
260.96661	0.4
273.02765	0.6
297.08670	0.4
341.03226	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.6
55.01862	5.4
55.05276	1.8
55.05515	24.0
57.03418	5.2
59.56578	1.5
60.40513	1.3
61.02930	1.9
64.64103	1.3
67.05504	17.0
69.03415	3.7
69.07058	4.3
70.20060	3.2
79.05494	18.2
79.97260	1.8
81.03399	5.1
81.07076	11.6
83.04993	2.4
83.08624	11.8
85.02898	4.6
85.06507	1.7
91.05473	13.3
93.07058	8.6
95.04951	3.7
95.08603	4.2
97.02891	2.0
97.10181	21.0
98.21466	1.7
103.05474	19.0
105.07039	10.9
107.04966	3.6
107.08577	9.2
109.06514	2.4
109.10155	4.5
111.08056	2.0
115.05473	2.5
117.07020	17.7
119.04982	1.6
119.08555	5.5
121.06465	1.9
125.09635	19.3
128.06187	4.3
129.06995	6.2
130.07811	1.8
131.08560	14.7
133.06432	1.8
135.08028	4.1
137.05940	1.9
141.06993	8.3
143.08542	7.1
145.06503	11.7
145.10167	8.7
147.08090	2.5
153.09079	2.9
154.07732	2.7
155.08574	3.6
157.06483	3.6
157.10143	5.8
159.08031	3.2
159.11676	13.2
159.22427	1.5
161.09567	2.4
167.08560	4.3
169.10130	18.7
171.08047	3.8
171.10197	2.1
171.11649	2.6
176.24319	1.6
181.10115	2.9
183.08084	2.3
183.11694	2.4
185.09547	9.2
187.11191	55.1
189.11211	7.2
193.10213	1.8
195.11748	2.2
199.11241	2.0
203.10710	1.9
207.11655	1.9
209.09639	3.2
213.09047	3.5
227.10628	4.3
227.12677	18.7
245.13831	4.6
293.18814	2.3
309.53403	1.8
311.20084	5.0
321.18411	5.8
339.19540	23.3
357.20615	7.8
413.23306	37.8
431.24304	100.0
432.24899	2.8
449.25299	12.0
535.25873	2.1
628.27960	3.3
644.00464	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4618
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	6.8
55.01875	16.4
55.05514	22.6
55.83279	2.4
57.03437	15.8
57.07074	6.7
58.06579	4.2
59.04992	9.7
65.03934	5.6
67.05137	3.5
67.05505	64.3
69.06798	2.2
69.07076	27.3
69.46148	8.4
69.46559	11.0
71.04996	4.0
71.08639	3.3
73.35085	3.1
79.05495	54.5
79.77613	2.6
81.03412	7.6
81.07062	78.2
83.04958	4.8
83.08617	11.4
85.06544	3.4
89.06050	4.6
91.05478	60.9
93.07050	53.0
95.01303	3.1
95.04944	6.8
95.08609	55.9
97.06548	21.0
97.10175	6.9
105.07034	49.5
107.04948	12.6
107.08598	32.6
109.06535	7.4
109.10152	17.9
117.07021	18.9
119.08584	38.6
121.10145	20.5
123.08136	3.8
123.11689	8.2
125.49597	2.8
129.07060	5.7
131.08560	26.4
133.10139	29.9
135.08060	4.7
135.11699	13.0
137.09644	4.2
143.08539	7.8
145.10152	16.3
147.11702	13.2
149.09607	5.7
149.13260	5.0
156.00105	2.8
157.10097	4.4
159.11703	10.7
161.09685	4.0
161.13260	6.9
171.11845	5.3
173.13290	6.9
175.14922	5.6
177.12740	4.0
179.14212	5.0
183.11583	3.7
201.16397	5.8
203.14313	3.6
219.17461	100.0
257.18964	5.1
275.20081	60.2
291.19498	6.6
293.21249	5.0
335.25800	80.3
349.23666	22.8
390.23483	3.5
515.37134	3.9
609.45203	63.7
616.04126	3.1
627.45764	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	627.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
55.05513	4.9
55.21959	0.3
57.03439	0.4
57.07076	1.2
59.72131	0.3
61.02953	0.6
61.59950	0.4
65.03943	1.4
67.05505	15.1
69.07066	5.3
70.67302	0.8
70.67645	0.4
71.04997	3.2
72.26236	0.4
79.05497	7.3
81.07059	20.3
83.04997	0.4
83.08625	5.4
84.83373	0.4
85.06559	2.7
86.08403	0.4
89.03924	4.8
89.06031	0.4
91.03974	0.4
91.05486	7.8
93.07046	6.8
95.04963	0.9
95.08611	22.1
97.06525	0.8
97.10183	2.6
99.08128	0.5
101.07287	0.4
105.07020	1.5
107.04962	1.7
107.08591	3.9
109.10155	9.9
111.08115	0.4
111.11742	0.7
117.03381	7.5
119.04947	17.0
119.05802	0.9
119.08592	0.8
121.10148	9.0
123.04443	0.5
123.11720	4.1
133.10202	0.5
135.04427	13.7
135.11702	6.7
137.13268	2.0
145.02846	10.3
145.03992	0.6
147.04413	83.0
148.04770	0.6
149.13235	3.4
151.14821	2.4
155.82585	0.4
163.03908	100.0
163.14883	0.9
164.04308	0.5
165.05519	3.9
165.16434	2.0
169.15764	0.4
177.07913	0.5
177.16350	0.8
179.17961	0.6
181.05016	1.6
186.05591	0.6
247.24220	5.3
265.25241	2.9
283.26279	5.7
445.29489	0.7
590.98138	0.5
627.30170	0.6
627.40796	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96282	0.6
55.01809	1.2
55.05424	2.4
57.03369	1.2
59.04904	1.9
62.18835	0.5
64.84657	0.5
67.05402	7.5
67.05790	1.2
69.06970	2.6
71.04929	0.6
71.49181	0.8
73.77224	0.6
79.05380	5.4
81.06944	8.1
83.04898	1.3
83.08554	0.9
87.67396	0.6
89.05944	0.8
91.05363	5.9
93.06922	6.4
95.04878	1.4
95.05408	0.6
95.08484	5.1
97.06413	1.9
97.06979	0.7
97.10102	0.9
105.06905	5.7
107.04877	1.3
107.08457	3.0
109.06441	1.4
109.10027	1.9
117.06870	1.9
118.94789	0.7
119.08590	3.3
120.08009	0.7
121.10030	2.1
122.09547	0.8
123.07998	0.7
125.09558	0.6
130.27644	0.7
131.08571	2.9
133.09981	2.8
135.11629	1.5
143.08430	0.8
145.09979	1.8
147.11562	1.7
149.09528	1.3
149.13089	1.3
155.08398	0.7
157.10016	0.8
158.05905	0.8
159.11598	1.6
163.11188	0.6
163.14778	0.6
171.11696	0.6
173.13181	0.9
179.14165	1.0
189.10129	0.9
195.09106	0.6
197.10693	0.7
209.10666	0.8
213.10229	0.7
219.17264	2.1
221.10678	1.0
223.12245	0.9
225.13681	0.8
233.10696	0.7
235.12321	0.6
236.12996	0.7
237.13748	1.8
239.15375	0.6
239.91449	0.7
247.12372	0.7
249.13773	0.7
251.15387	0.9
257.18903	0.9
262.13406	0.6
267.80142	0.6
275.20120	4.9
277.21637	0.9
278.12778	0.7
290.12759	1.1
291.19525	0.8
293.20773	0.9
314.16394	1.3
318.15939	1.4
335.25751	3.5
336.60266	0.7
338.16122	0.7
339.16119	1.5
349.23575	2.2
351.16263	0.9
352.18112	0.7
353.17670	3.6
354.18930	1.3
365.18018	1.2
366.18915	2.0
367.15173	1.2
367.19415	3.9
368.20996	1.2
379.19177	2.1
380.20367	0.8
381.16940	2.6
381.20810	2.3
382.17746	1.3
383.22202	1.8
394.17694	1.0
395.18472	2.2
395.22437	1.7
396.19455	1.4
397.20377	3.1
407.18674	1.4
409.20364	4.2
410.20929	1.9
411.22104	4.8
412.22647	1.2
421.20358	1.5
422.20850	2.1
423.22247	3.0
424.22363	2.4
425.19528	7.5
425.24432	0.7
435.21930	0.9
437.24155	3.3
438.20154	2.9
439.21231	5.2
440.22021	3.7
441.23505	0.7
453.22772	3.5
454.24088	1.8
455.20331	1.2
467.24829	1.1
469.26508	1.9
470.23309	2.6
479.24304	0.8
481.22614	2.4
482.23117	0.7
483.24765	3.8
493.22690	0.8
495.23770	2.1
496.24567	1.4
497.26440	10.6
498.26563	3.7
509.25403	2.6
510.25888	0.8
511.23325	2.0
525.24908	3.1
526.25623	2.7
541.28137	12.3
551.26385	1.5
556.22723	1.3
569.23907	1.0
583.29150	14.3
584.26239	12.2
585.27100	100.0
586.27588	2.6
599.28717	1.5
609.45105	3.5
627.28119	46.9
627.45844	3.5
628.28455	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2815
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
50.84640	0.7
55.01862	1.3
55.05495	0.8
59.05011	0.8
60.48994	0.7
67.05502	3.0
69.07072	1.7
69.42999	4.7
72.85243	0.9
79.05501	2.3
81.07065	3.8
85.06580	1.1
87.39713	0.8
91.05475	4.5
93.07051	2.7
94.06574	1.2
95.04990	1.5
95.08620	1.6
95.72836	0.6
103.05447	0.9
105.07025	4.4
107.04982	1.0
107.08607	2.0
109.06563	1.2
117.07016	0.8
118.03610	0.7
119.08583	1.3
121.06533	1.0
129.07045	1.3
130.06654	0.8
131.08582	1.6
133.10168	1.0
134.06000	0.8
135.11777	0.9
136.07567	0.9
138.09155	0.8
143.08640	1.1
145.10144	1.0
146.06076	0.8
146.09717	1.0
147.04434	2.5
148.04768	1.0
149.09583	0.9
158.08366	0.7
172.07591	1.8
173.08350	0.8
174.09167	4.9
183.09288	0.9
185.07030	0.9
187.08688	0.9
187.12370	4.2
188.10759	3.0
194.76546	0.9
197.10759	1.7
199.08678	1.1
211.08727	1.8
211.12294	1.0
212.09384	1.2
213.10225	0.7
215.11864	3.3
217.15883	0.8
221.07082	0.8
224.09518	1.5
225.10161	4.2
227.11716	3.8
235.08812	1.5
237.10361	1.6
239.11894	2.8
241.09808	0.8
241.13405	3.2
243.11302	25.7
245.15274	0.8
248.09352	1.5
249.10358	1.5
251.08028	0.9
251.11848	2.0
252.09052	1.4
253.09764	2.0
259.94180	0.9
265.09738	1.5
267.11304	8.5
269.13004	2.1
277.09799	2.8
284.11646	1.1
285.12476	3.4
291.11032	1.0
291.19669	1.2
293.12967	1.3
295.10818	4.0
299.14078	1.3
300.11450	1.0
301.15521	4.2
302.13074	1.0
305.12604	0.8
309.12476	3.0
311.13934	1.2
312.11932	0.8
313.12766	1.2
314.12915	2.0
315.13889	1.5
316.10925	1.1
316.14554	1.4
318.35205	0.9
319.10858	2.2
320.14059	1.2
325.15564	7.5
326.12936	1.0
327.13461	5.6
328.10883	2.5
328.14703	2.3
329.11801	2.0
329.15421	1.2
330.12430	3.7
330.16083	1.1
331.13382	1.2
334.15567	0.9
342.12280	4.7
342.16156	1.4
343.13223	3.1
344.14044	3.6
345.14786	1.1
346.15543	2.3
348.13354	3.4
353.12396	1.0
354.12302	1.9
355.13110	1.0
356.10379	0.9
356.13870	4.0
357.15045	1.3
358.15646	3.2
359.16364	1.2
360.17136	1.5
368.14200	1.1
370.11783	1.0
370.15723	2.2
371.16541	1.5
372.17215	4.2
374.14850	1.4
376.13077	0.9
384.17413	1.0
385.17853	1.2
386.14731	2.0
386.18848	2.5
388.17010	0.8
390.14764	1.1
393.17215	0.8
394.18021	0.8
398.15283	1.7
400.16702	3.0
403.16360	1.4
405.17160	1.3
406.17859	0.8
407.14954	0.9
412.16650	1.2
415.15314	1.0
416.16064	1.3
417.16818	1.3
418.17865	1.3
421.16690	1.0
422.17459	1.1
430.17789	1.2
431.18857	1.4
432.19183	3.3
433.05920	0.9
435.14474	2.3
436.19824	1.0
437.19781	3.0
444.19586	1.0
447.21930	3.1
448.20624	1.2
449.15472	1.0
449.20486	1.0
450.16730	1.1
451.16821	1.5
451.22226	1.3
460.18771	2.1
461.24274	1.8
462.24261	2.4
463.21198	3.1
464.18619	0.9
465.18689	12.4
466.19531	1.5
477.18985	1.8
478.20190	2.4
479.20334	5.1
480.21268	3.6
481.22418	3.9
490.22791	1.0
491.21030	1.1
492.21765	3.7
493.23114	5.3
494.23691	1.3
504.21213	3.9
505.22363	1.6
506.23114	1.3
507.24084	4.1
508.21234	1.3
517.22809	1.4
520.21100	1.2
521.22437	0.8
521.25165	0.9
535.23425	8.1
540.23792	1.1
541.24298	2.8
549.25128	12.0
552.23773	1.2
553.24597	2.7
554.25275	1.4
563.23071	1.3
567.26050	70.1
568.26300	1.8
577.24689	2.7
595.25525	49.7
596.26318	2.4
609.27429	1.4
609.37439	0.8
627.28186	100.0
628.28589	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2811
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
55.05509	2.0
55.95881	1.2
59.04976	1.4
67.05497	4.2
69.38111	1.3
71.49632	1.8
79.05485	5.2
81.07053	3.9
87.04472	1.9
89.06040	7.8
90.06362	1.5
91.05515	6.1
93.07023	3.6
95.08626	2.8
96.08154	2.4
103.05461	2.9
105.07034	15.4
106.07344	3.2
107.08571	1.6
108.89834	1.3
117.07032	2.5
119.08598	1.6
120.04522	1.5
121.06485	1.6
121.10112	1.7
129.06984	1.2
131.08597	1.5
133.08601	1.6
133.10136	2.5
136.07608	1.8
142.60376	1.2
145.10175	2.0
145.58244	1.2
147.04439	2.2
149.09550	1.5
159.07991	1.6
174.09192	4.6
187.08804	1.9
187.12328	5.1
188.10724	2.2
197.10803	1.6
211.08449	1.7
215.11821	2.7
225.10204	2.5
227.11839	2.9
237.10403	1.6
238.11057	1.5
239.11729	2.5
241.13362	3.8
243.11299	28.5
249.10223	1.8
251.11804	2.1
252.09062	2.3
253.09773	1.5
267.11349	4.8
274.13049	1.4
293.13025	1.4
295.10876	4.2
302.12775	1.4
303.14288	1.6
306.12302	1.5
314.13068	2.6
316.10886	2.5
316.14502	2.3
325.15414	13.3
327.13663	3.5
327.17532	1.7
328.10797	3.6
328.14450	1.9
330.12216	1.5
334.15421	2.9
342.12402	4.2
343.13153	4.5
344.13858	3.3
345.14917	1.6
346.15811	2.4
348.13565	4.9
351.13440	1.7
356.13907	3.2
357.14975	2.0
358.15616	3.7
370.15530	3.1
372.17175	3.6
374.14697	1.7
386.14963	3.5
386.19247	1.9
400.16675	1.9
432.19424	3.2
435.14490	2.3
437.19827	2.7
447.22293	2.7
449.15582	2.1
450.16278	1.6
451.17783	4.0
461.23978	2.2
462.24182	3.1
463.21390	4.7
465.18860	16.9
477.19562	2.0
478.20255	1.8
479.20660	9.1
480.21719	5.4
481.22290	3.9
489.22906	2.3
492.21719	2.3
493.22192	4.6
494.23453	1.9
497.53717	1.5
504.20889	2.7
507.23788	4.9
508.20926	2.7
517.22437	2.3
520.20782	2.2
535.23218	8.6
540.23944	1.7
541.23669	1.9
549.25177	15.5
552.23419	2.1
553.24426	2.3
567.26068	93.1
577.24493	2.8
595.25531	100.0
596.25299	1.9
627.28082	48.8
628.28143	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03854	0.6
53.04057	0.6
55.01732	1.3
55.02004	1.1
55.05375	1.3
55.05647	1.5
59.04865	1.1
59.05164	1.3
65.52061	0.5
67.05326	4.5
67.05736	2.7
69.06895	1.8
69.07288	0.8
71.49748	0.8
79.05303	4.5
79.05819	1.9
81.06854	6.3
81.07396	2.8
83.08469	1.3
83.08900	0.6
85.41707	0.6
89.05875	0.5
91.05268	5.5
91.05909	1.7
93.06828	4.2
93.07474	1.2
95.04781	1.3
95.05304	0.6
95.08386	4.6
95.09042	1.1
97.06326	1.6
97.06947	1.2
97.79481	0.5
101.09437	0.5
105.06802	4.0
107.04816	0.8
107.08366	3.5
107.09131	0.9
107.86673	0.5
109.06318	1.1
109.09928	1.8
117.06771	1.9
117.07509	0.6
117.08984	0.5
119.08347	2.8
121.09899	1.8
125.25313	0.6
129.06813	0.9
131.08281	2.3
133.09874	2.7
135.07835	0.6
135.11507	1.0
137.09404	0.8
143.08398	1.0
145.09932	1.4
147.11543	1.2
149.09450	0.9
149.13086	0.7
151.10933	0.7
158.05716	0.5
159.11490	1.0
163.11017	0.6
171.11493	0.8
173.13068	1.1
189.10065	0.7
190.08351	0.6
197.10623	0.5
209.10539	1.0
219.17194	1.8
219.19231	0.6
221.10657	1.1
222.11090	0.7
223.12099	0.9
232.09514	0.7
233.10713	0.8
235.11954	1.9
239.15302	0.5
247.12099	0.8
249.13693	0.8
251.15227	0.9
275.20047	5.4
276.14719	0.9
277.21515	0.7
278.12656	1.1
285.12915	0.7
288.14670	0.7
290.12628	0.8
291.19150	0.9
303.13477	0.5
318.15994	1.3
322.35046	0.5
326.16382	0.6
335.25922	3.3
338.16183	0.7
339.15988	1.1
340.17725	1.0
349.23547	2.4
350.16357	1.1
351.16568	1.3
352.17496	1.2
353.17569	3.7
354.18729	1.6
363.15979	0.7
364.17239	1.2
365.17557	1.6
366.19135	1.3
367.15140	1.2
367.16135	0.7
367.19061	4.0
368.20511	1.3
369.21176	0.7
377.17554	0.8
379.14972	0.8
379.19040	2.1
380.20700	0.8
381.16611	2.5
381.20706	2.5
382.17413	1.0
382.21765	1.0
383.17981	1.1
383.22543	2.9
393.20639	1.5
395.18259	3.2
395.22736	1.2
396.19461	1.3
397.20233	2.7
405.16898	0.7
407.18365	1.5
409.20514	2.7
410.20901	1.6
411.22174	5.3
412.22397	1.4
421.20059	1.2
422.20874	2.8
423.22443	3.1
424.22311	1.9
425.19708	6.8
437.18674	0.8
437.23291	2.2
438.20245	2.9
439.21228	5.4
440.22165	4.0
441.22638	0.9
450.20978	0.6
451.21460	0.9
452.22104	0.9
453.22757	2.8
454.23846	1.7
455.24942	0.9
463.21021	0.6
467.24481	1.1
469.21445	1.7
469.26498	1.6
470.23190	2.0
481.22128	1.2
483.24725	3.0
495.23502	0.7
496.24875	1.6
497.25232	10.6
498.26334	3.6
508.24179	0.7
509.25696	1.6
511.23203	2.9
512.24536	0.6
525.25079	2.6
526.25964	1.8
541.28198	11.8
551.26379	2.4
556.23169	1.0
557.27686	0.9
569.23694	0.9
583.29175	17.4
584.26373	11.7
585.27118	100.0
586.27515	3.3
599.28412	1.1
609.45282	3.3
627.28192	47.6
627.45782	3.0
628.28027	0.7
636.64606	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2811
Annotation	red chlorophyll catabolite
Peak:m/z	Relative Intensity
52.88198	0.5
55.05506	1.9
56.16175	0.6
57.03439	1.1
57.07076	0.9
59.04998	1.2
64.87273	0.5
67.05505	4.2
69.07067	1.5
70.29965	2.1
79.05493	3.9
81.07049	4.2
83.08630	0.9
85.10156	0.6
85.38364	0.5
89.06015	0.6
91.05473	1.9
93.07050	2.8
95.04979	0.7
95.08608	2.4
97.06524	0.7
105.07035	2.4
107.08592	2.4
109.10162	1.4
111.76939	0.5
112.10889	0.5
117.07035	0.8
119.08586	1.1
121.06563	0.6
121.10130	1.0
122.11666	0.6
125.09634	0.7
131.08571	1.5
133.10153	1.2
135.11737	0.8
135.26015	0.5
145.10118	1.1
147.11717	1.0
149.09634	1.2
159.11674	0.8
161.13292	0.6
163.11137	0.7
169.10135	0.7
171.11678	0.7
223.12329	0.7
247.12192	0.6
249.13992	0.8
275.20148	1.5
280.45520	0.5
290.16461	0.6
291.15094	0.6
299.14761	0.7
313.27438	0.6
335.25919	1.7
339.16257	0.7
349.23883	0.8
352.17014	1.2
365.17917	1.0
367.19324	2.3
377.17682	0.7
381.16891	0.9
381.21179	0.9
391.19513	1.3
392.20694	0.7
393.21100	1.1
395.18695	2.7
397.20065	1.0
405.21210	1.0
407.18250	1.5
407.23004	0.8
408.19760	1.6
409.20135	1.0
410.21198	1.8
419.18399	1.1
420.19650	1.6
421.20285	2.2
423.17902	1.3
425.23691	0.9
431.18958	0.7
433.20255	2.2
434.20773	1.2
435.21872	2.6
436.23288	1.0
437.23663	4.6
438.20850	2.8
439.21609	2.0
447.21677	2.5
449.23553	6.1
450.24191	1.2
451.21503	1.3
452.22171	1.2
453.22916	11.7
454.23889	1.8
461.24103	0.9
462.20401	0.6
463.24881	2.7
465.22964	2.0
469.26004	4.9
472.23209	0.8
473.23404	1.3
475.21201	6.1
476.22067	2.0
477.22879	0.7
479.24615	1.7
489.22583	0.7
490.23697	0.8
491.24359	1.3
493.22418	1.0
497.25510	6.0
501.22900	1.4
503.21078	2.6
507.23795	3.4
508.24722	0.8
511.27313	0.8
512.27960	4.7
521.25562	2.4
522.26263	4.5
523.27185	8.3
525.25085	4.9
531.24042	3.0
538.25208	1.1
539.26440	2.6
540.27356	31.9
549.24725	5.0
551.26459	1.5
567.26013	10.1
581.27411	1.0
583.28949	1.5
591.26038	5.6
595.24963	0.9
609.27142	7.1
609.44757	2.0
626.66980	1.1
627.28137	100.0
627.45721	3.0
628.28510	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.1
53.03936	1.4
55.01874	1.5
56.05035	0.8
65.03934	1.1
67.05491	1.2
68.67785	0.7
68.99784	5.6
69.03422	1.7
71.48654	0.7
74.52892	0.6
77.03934	1.1
79.05487	1.6
81.03423	2.9
81.07055	0.6
84.17704	0.6
85.02902	3.7
87.00816	1.4
88.20821	0.6
89.03928	1.4
91.05485	3.3
93.03405	0.7
95.04964	2.5
97.02890	2.3
97.06524	0.9
99.04477	1.0
105.03419	0.8
105.04557	0.6
107.04958	26.3
109.02890	2.1
111.00776	0.9
111.04450	1.4
112.28513	0.6
115.08673	0.6
117.03368	1.6
119.04940	7.0
121.02889	1.7
123.04430	100.0
124.04780	1.4
127.03918	61.3
127.08702	1.4
128.04268	1.2
130.05011	1.5
131.04955	3.2
135.04417	58.8
136.04739	1.1
137.05995	3.7
138.06288	1.1
139.03920	3.8
141.06648	0.6
145.04942	1.0
145.06509	1.7
147.04410	35.4
147.08020	1.4
149.02376	1.5
149.05927	0.7
151.03882	3.2
153.01833	2.0
153.07056	0.9
157.06483	2.7
157.13446	1.3
158.03682	0.6
159.04437	1.3
161.06010	1.4
163.03908	57.0
164.04286	0.7
165.06978	1.5
167.03384	2.5
169.06517	1.5
171.04359	2.9
171.08084	0.8
173.06033	2.1
175.03925	2.1
177.03319	1.0
177.05492	1.4
179.03435	0.8
181.06483	2.5
183.08038	0.9
185.06027	2.3
187.03931	0.8
187.07574	1.1
189.03395	0.6
191.03435	1.3
193.06467	1.1
197.05940	2.8
199.03923	2.2
199.07582	1.6
201.05470	1.5
203.07021	1.8
205.04909	1.1
205.06577	0.8
207.02843	3.9
207.08104	0.8
209.06073	1.0
211.07547	1.8
212.07976	0.8
213.05470	2.4
215.07027	9.8
219.02875	0.7
221.06068	1.3
223.07542	0.9
227.07047	4.4
229.05011	1.2
231.06493	0.8
233.11693	1.9
234.06636	0.6
234.12029	0.8
235.07568	1.6
237.05463	2.5
239.07094	4.6
240.07381	1.5
241.05019	2.3
243.06342	1.2
247.06049	3.8
250.06316	0.7
250.14433	1.5
251.14935	0.6
253.08629	1.4
254.08952	0.9
255.06512	7.9
259.39673	0.8
261.07556	4.0
263.07144	3.5
265.04953	1.2
267.06546	10.2
269.08051	1.5
271.06018	10.0
271.09695	3.6
272.09869	3.5
281.08032	0.8
283.06012	42.7
285.07657	1.5
287.05478	1.0
288.17062	1.4
289.07065	12.0
290.07397	0.7
295.06009	11.7
295.09418	1.1
296.10104	1.6
299.05508	0.9
299.08774	0.6
307.06006	0.7
309.07428	1.4
311.05325	0.9
313.07068	8.1
313.10577	1.4
314.10986	3.5
325.07013	0.8
331.11768	3.1
332.12106	5.5
332.15738	1.3
339.10629	0.7
341.06476	1.1
344.12183	0.8
381.08081	1.3
389.10220	14.3
417.09650	2.7
422.12869	0.8
435.10568	0.7
627.22485	1.4
628.20502	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	9.3
55.01864	12.2
55.05504	18.4
57.03414	10.3
61.02941	6.3
63.35210	5.0
67.05505	36.9
69.03419	15.5
69.07056	19.4
69.22691	32.0
69.23118	16.3
71.08648	6.5
73.02912	6.7
79.05515	27.0
81.03430	27.8
81.07059	100.0
83.08627	13.3
84.34801	5.2
85.02917	35.2
85.06516	6.3
87.00826	16.9
91.05480	18.6
93.07054	54.9
95.04946	8.4
95.08611	66.4
97.02898	26.7
97.06506	9.1
99.04470	9.4
105.01868	16.4
105.07021	21.2
107.08570	37.8
109.02886	13.6
109.10174	57.4
111.08074	9.5
115.22160	4.9
117.06979	8.1
119.08561	22.4
120.08105	12.8
121.10150	34.0
122.09623	6.4
123.11681	17.0
126.65167	5.1
127.03896	33.4
131.08586	10.0
133.10101	18.0
135.11705	37.9
137.06012	10.6
137.09654	6.0
137.13242	7.5
145.04945	12.7
145.10126	9.3
147.11729	8.7
149.13248	46.2
159.11714	15.9
161.09706	5.4
161.13287	10.1
163.14771	10.9
175.14827	9.1
177.62785	5.8
187.14745	6.5
233.08833	5.1
237.78711	6.3
263.23688	6.1
271.24203	16.9
277.25327	12.0
289.25235	67.8
306.56757	5.2
307.26361	58.9
325.23801	6.9
626.25873	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	626.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02912	0.7
69.03408	2.0
70.78764	1.2
74.47595	0.5
79.05492	0.7
81.03400	1.3
81.07024	0.7
85.02908	6.8
91.05470	1.2
96.00526	0.5
97.02863	1.6
102.30608	0.5
103.05431	1.7
103.83922	0.5
105.07028	5.7
107.05017	0.7
109.02882	0.5
109.06540	0.9
115.05431	2.1
122.03604	1.3
122.09647	0.5
127.03916	1.1
127.27172	0.5
131.04929	3.1
131.08566	0.5
133.06499	4.2
137.05988	25.8
140.87015	0.6
141.06999	0.9
143.06003	0.7
145.06456	0.6
146.03629	4.5
147.08034	0.7
149.05992	0.7
151.07538	2.2
160.05179	0.7
161.05997	48.5
163.07564	3.3
169.06454	1.5
175.07559	24.1
177.06967	0.6
179.08578	1.2
189.07120	0.7
190.07729	1.2
191.08434	0.8
194.07231	1.4
196.08884	0.9
201.09108	1.6
203.08507	1.0
204.09448	0.8
205.06490	1.2
205.10146	3.2
207.08069	2.5
209.05878	0.9
209.09689	1.2
215.08617	1.6
218.07292	1.9
219.08174	1.0
219.10182	3.9
221.05988	2.5
221.09624	0.8
222.06741	3.7
222.10313	0.6
223.07660	1.0
224.08334	2.1
231.07869	0.6
232.08759	1.3
233.06023	1.4
233.09618	6.3
234.06772	2.1
234.10396	1.7
235.07573	4.5
236.08421	1.2
237.05441	1.6
237.09106	5.7
239.10654	2.0
242.60674	0.5
247.07611	0.8
248.08089	0.6
249.05482	1.0
249.09113	1.5
250.06346	5.0
250.09882	3.7
251.06950	1.5
252.07867	3.2
253.08624	1.3
259.07605	0.6
260.08386	1.5
261.09134	7.9
262.09894	1.7
263.07074	2.0
264.07877	3.1
265.08615	24.8
265.12115	2.9
266.09106	0.8
267.10223	4.6
269.08127	1.7
275.10739	0.6
277.08627	0.8
278.09399	6.4
279.10211	1.6
282.08899	1.0
283.13165	1.4
284.10431	1.6
293.11755	12.6
294.12460	0.8
295.09775	1.2
296.10425	0.8
297.11270	6.5
297.14496	0.9
299.12762	3.3
310.11844	1.2
311.12796	68.2
312.13266	1.9
325.14417	2.5
328.12967	1.1
343.15424	100.0
344.15765	2.0
407.04050	0.7
429.11563	0.6
519.84918	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.1
57.03431	0.5
59.42398	0.4
59.59674	0.5
61.02920	0.6
64.33638	0.5
69.03417	1.7
69.97211	2.3
74.09701	0.5
79.05502	0.6
81.03412	0.9
85.02901	5.6
91.05484	0.6
97.02871	1.3
103.05447	2.2
105.07034	4.7
107.04969	1.2
109.02856	0.9
109.06505	0.9
110.74050	0.5
110.93434	0.6
115.05450	2.1
115.68632	0.6
119.04967	0.6
121.75221	0.6
122.03641	1.4
122.09619	0.8
127.03863	1.2
131.04936	2.3
131.51265	0.6
133.06488	3.7
135.49644	0.5
137.05989	21.2
141.07028	1.0
145.04878	0.6
146.03670	3.3
151.07513	1.8
155.72560	0.5
157.06456	0.6
161.05984	44.3
163.07550	3.6
169.06433	0.6
175.07550	20.8
177.09081	0.7
179.08495	0.6
185.05869	0.6
190.07733	0.9
194.07254	2.0
195.08095	1.0
201.09053	1.0
203.08603	0.7
205.06442	1.0
205.10161	2.1
207.08109	1.5
209.09612	1.5
215.08682	1.3
218.07211	1.8
219.08102	1.1
219.10164	3.5
221.06023	2.5
221.09563	0.6
222.06747	2.0
222.10335	0.7
223.07616	0.7
224.08363	1.8
232.08771	1.1
233.06035	1.0
233.09604	5.8
234.06752	0.7
234.10307	1.7
235.07536	3.6
236.08328	0.9
237.05421	1.7
237.09061	3.8
238.09911	0.6
239.07043	0.6
239.10622	1.3
242.25465	0.5
249.05515	0.6
249.09091	1.1
250.06310	5.1
250.09903	2.7
251.07156	1.5
252.07762	2.2
253.08723	1.5
260.08337	1.1
261.09094	5.9
262.09879	1.6
263.07059	2.1
264.07819	1.9
265.08615	19.7
265.12250	2.2
266.09201	1.1
267.10184	3.5
269.07990	1.2
277.08627	0.7
278.09402	5.1
279.10223	1.1
281.07983	0.6
282.08807	0.9
283.13348	1.6
284.10382	0.9
290.23785	0.6
293.11722	12.4
294.12393	0.7
297.11258	5.1
299.12823	2.8
310.11945	1.2
311.12778	63.9
312.13226	1.6
325.14426	1.5
343.15408	100.0
344.15747	1.9
484.07709	0.5
535.46838	0.8
626.18250	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.7
69.03424	1.5
69.28822	0.5
69.47140	2.7
69.47552	1.3
71.04945	0.8
79.05479	0.8
81.03419	0.6
85.02920	6.3
91.05459	0.7
97.02921	1.4
103.05464	1.7
105.07040	4.9
107.05001	1.0
109.02851	0.6
115.05452	2.4
119.04950	0.9
122.03617	0.9
122.09656	0.6
127.03927	1.0
131.04956	2.6
133.06494	3.5
137.05986	20.9
141.06969	0.9
146.03616	2.6
147.04430	0.7
151.07535	2.6
153.06908	0.9
161.05994	44.8
162.06261	0.5
163.07556	3.3
165.07069	0.6
169.06483	0.7
175.07570	20.9
176.07870	0.6
177.09213	0.6
179.08582	1.5
190.07825	1.6
194.07243	2.1
201.09119	1.0
205.06476	1.2
205.10162	3.1
207.08119	2.5
209.06018	0.7
209.09601	0.9
215.08592	1.5
218.07350	0.9
219.08214	1.1
219.10202	3.9
221.05959	1.6
221.09712	1.0
222.06769	1.9
222.10432	0.7
223.07674	0.6
224.08363	2.4
232.08852	1.5
233.06061	1.3
233.09616	5.9
234.06749	1.2
234.10455	1.4
234.83621	0.6
235.07549	3.8
236.08305	1.6
237.05531	1.6
237.09135	3.9
239.10753	1.3
243.08118	0.7
247.07629	0.7
249.05389	0.8
250.06279	2.8
250.09955	2.4
251.06920	1.5
252.07773	2.1
253.08665	0.7
261.09131	5.0
262.09805	1.6
263.07031	2.0
264.07822	2.1
265.08624	19.3
265.12152	3.3
267.07361	0.9
267.10074	3.7
269.08109	1.3
277.08716	1.0
278.09311	3.4
279.10098	0.7
281.08142	0.8
282.09024	1.3
283.13242	1.8
284.10461	1.3
293.11731	11.9
295.09625	1.3
296.10526	0.8
297.11249	4.9
299.12848	2.7
310.11984	1.5
311.12799	62.9
312.13217	1.8
325.14340	2.1
331.91489	0.7
343.15427	100.0
344.15808	2.6
497.35147	0.6
587.09589	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.6
55.01863	2.8
57.03431	1.4
61.02906	1.8
69.03436	9.8
70.52510	1.4
70.52852	3.1
71.05014	1.6
73.02906	1.5
77.92319	1.2
78.78646	1.2
79.05434	1.6
81.03422	7.4
82.15990	1.0
85.02913	22.9
86.69377	1.2
87.00836	10.0
91.05470	10.3
94.04172	2.2
95.04964	2.4
97.02890	9.7
99.04449	4.2
103.05437	1.9
105.01869	7.5
105.07006	1.7
107.04940	2.8
109.02890	7.3
109.06505	1.3
111.04441	1.4
115.03948	1.5
117.07010	1.7
119.04958	8.3
121.06489	1.6
122.03616	3.6
127.03927	13.8
129.01826	1.4
129.06966	4.3
131.04912	4.0
135.08040	2.7
136.05243	1.2
137.05989	58.5
145.04944	9.5
145.06477	1.5
149.05952	4.8
151.03882	3.3
151.07552	45.8
157.06517	7.5
159.02844	5.7
160.05179	2.4
161.05966	10.1
163.07547	15.2
165.07028	1.9
165.09212	1.8
167.08537	4.5
174.06764	2.0
175.07567	8.4
177.09114	4.7
179.08514	1.5
181.06439	1.2
181.10065	1.4
187.07603	2.2
189.09120	18.3
193.06444	3.3
193.10091	2.7
195.08044	10.7
195.10117	3.2
201.09041	1.4
203.07072	1.6
207.10170	4.7
209.07994	2.1
210.06827	1.5
211.07480	2.2
213.08960	1.3
219.10118	2.8
221.05989	3.9
221.09622	3.9
222.06804	1.3
223.07568	5.7
224.08170	1.3
225.09085	4.1
227.10638	15.3
231.04947	2.6
237.09232	2.7
239.07027	1.6
240.07909	1.9
249.09027	4.2
249.11215	4.6
253.08540	5.4
253.12300	5.6
255.10193	14.0
261.11273	2.4
265.08533	1.4
267.10153	3.9
269.08151	2.3
279.10001	1.6
281.11569	3.3
285.11249	10.6
287.12827	21.0
293.11594	1.5
297.11230	3.9
299.12775	9.0
301.14505	1.8
305.11566	2.3
311.12778	7.0
313.14301	18.0
315.12253	1.6
331.15414	100.0
332.15967	1.6
335.12698	2.2
341.13702	2.4
343.15411	22.0
353.13733	1.9
355.15421	6.5
367.15488	4.9
379.15540	1.7
385.16208	1.4
397.16470	4.2
403.15472	2.8
421.16556	8.7
439.17252	3.3
525.17847	2.5
543.18347	4.1
561.19257	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	625.4465
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.6
53.03948	5.8
55.01867	4.8
55.05511	22.8
57.03442	4.9
57.07080	2.2
58.86942	1.1
59.04994	5.3
65.03941	2.3
67.05503	53.3
69.03429	8.5
69.07069	30.3
71.04979	3.3
71.49676	1.9
79.05495	47.9
81.03429	6.5
81.07058	40.0
81.87902	1.2
83.04971	5.5
83.08615	9.7
85.06524	1.8
89.06028	3.0
91.05483	35.2
93.07047	42.0
95.04964	10.7
95.08607	28.9
95.09177	1.9
97.02899	10.3
97.06548	3.9
97.10175	13.5
98.72964	1.2
99.08109	1.9
103.05481	2.0
105.04533	2.5
105.07034	34.4
107.04961	6.9
107.08597	26.0
109.06536	3.7
109.10162	14.9
111.08080	3.1
117.07019	13.5
119.08582	17.2
121.06548	3.4
121.10150	15.4
123.08076	4.3
123.11762	2.4
125.09618	6.4
128.06223	2.0
129.07019	3.9
131.08575	14.7
133.06509	2.6
133.10141	11.3
135.08092	4.2
135.11714	7.3
137.09665	2.4
141.06976	1.4
143.08601	4.4
145.10117	8.1
147.08078	4.5
147.11707	4.9
149.13264	4.7
155.08597	1.6
157.10123	3.4
159.11668	6.9
161.09685	2.1
161.13275	3.7
163.14835	1.4
169.10098	2.3
171.10274	1.6
171.11696	2.8
173.13275	3.1
175.11278	2.0
175.14925	1.7
177.12756	2.8
177.77119	1.2
183.11710	1.5
184.90050	1.2
189.11253	2.8
195.13724	1.4
205.12263	2.1
211.14873	1.3
223.13281	18.6
226.61162	1.3
227.12723	1.7
242.09824	1.3
249.14978	1.2
255.17325	1.6
261.22263	4.2
273.18494	14.8
291.19547	100.0
309.20715	1.8
317.24780	1.3
335.25659	2.4
347.22336	2.4
350.87338	1.2
513.35815	1.8
527.37463	1.9
607.43939	3.1
625.44690	70.9
626.45074	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	625.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	0.6
51.02394	1.6
51.03180	0.4
53.03943	1.3
55.01874	0.7
62.30663	0.4
63.10616	0.4
67.05495	1.7
68.99790	4.8
69.46683	3.7
79.05482	1.5
81.03426	2.8
83.04977	0.5
85.02899	0.6
87.04475	1.4
89.03939	2.2
95.04990	1.5
98.20748	0.6
105.03405	2.0
105.04520	0.5
106.06570	1.4
107.04967	5.8
109.02879	2.2
111.00824	1.9
111.04451	1.5
117.03362	2.8
119.04983	0.5
121.02908	1.0
123.04439	100.0
127.03928	60.3
131.04951	1.3
135.04427	52.2
137.02356	1.8
139.03902	3.4
141.07014	0.7
143.04901	0.6
145.02843	2.5
147.04422	3.9
149.02351	1.8
149.05971	0.9
151.03903	1.9
153.01857	2.7
153.07050	0.9
157.06544	0.6
159.04440	1.8
161.05978	2.2
163.03915	75.4
164.04247	0.7
165.07050	0.9
167.03488	3.1
169.06497	1.0
173.02354	3.6
173.05959	2.7
175.03949	1.6
177.05469	1.0
181.05063	0.8
181.06554	1.4
183.04416	0.6
185.05995	1.5
187.03885	3.5
189.05438	0.5
191.03395	2.2
191.33484	0.5
197.06026	3.0
200.04625	0.5
201.05521	3.0
201.09105	0.6
203.03387	0.8
203.07082	1.1
205.04948	1.2
207.02890	0.9
209.05994	0.8
213.05576	3.0
215.03484	2.3
215.07013	2.0
221.05965	1.6
223.07564	0.7
225.05510	2.7
229.04803	2.7
231.06549	5.1
237.05412	2.9
239.07129	0.8
241.04924	1.1
242.05742	0.6
243.06537	4.8
247.05980	4.5
249.05557	1.2
251.06966	1.2
253.04919	3.5
255.06628	2.6
257.04504	1.9
261.07602	2.7
263.05502	0.7
265.04993	2.5
267.06479	1.6
271.06021	13.9
279.06509	2.7
281.04483	2.8
282.05032	0.8
283.06027	10.6
285.07611	1.4
286.24939	0.6
287.05432	1.2
289.07068	9.1
293.04385	0.9
295.05981	5.2
297.07465	1.2
299.05527	37.4
307.06287	0.6
311.05521	16.6
313.07172	1.5
316.96341	0.6
323.05508	1.9
325.07053	1.4
329.06479	4.2
341.06430	1.1
405.09714	6.8
433.09155	2.0
451.10205	0.7
589.12952	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.8
55.05511	15.6
56.24493	1.6
57.03421	1.8
57.07062	6.5
67.05529	8.8
67.05803	1.6
69.03429	10.7
69.07068	59.8
71.04977	1.9
71.49023	2.5
73.02918	1.8
73.06511	2.2
79.05489	6.7
81.03411	6.6
81.07063	35.3
83.04983	5.5
83.08603	7.7
83.52123	1.9
85.02921	10.4
85.06545	3.1
87.00824	4.5
88.35368	1.6
91.05452	5.5
93.07047	18.7
95.04897	2.8
95.08618	30.0
97.02898	8.9
97.06528	10.8
97.09561	3.1
97.10169	56.2
99.04456	5.0
105.01846	6.7
105.07012	6.9
107.08595	14.7
109.02865	4.9
109.06544	1.9
109.10165	18.0
111.11721	17.5
115.11208	2.7
117.37881	1.7
119.08572	5.8
121.10136	15.0
123.11707	22.8
127.03888	8.9
133.10123	5.4
135.11688	6.3
137.13235	4.7
139.11188	49.4
141.06570	2.5
145.04921	3.1
147.11681	6.2
149.13255	7.4
151.00087	1.7
151.14850	2.5
153.12701	4.9
157.11052	2.3
157.12265	41.9
159.02869	2.0
159.11664	2.8
163.14839	3.9
165.12794	5.9
175.14734	2.1
179.10681	1.9
189.16422	3.3
195.13937	2.8
197.11736	3.1
203.12822	20.3
277.25418	2.3
287.23615	2.6
305.21396	2.5
305.24765	45.3
323.25824	100.0
341.26758	10.6
431.28003	2.2
443.14166	2.3
535.29181	3.8
624.25940	2.7
625.27582	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	4.1
52.00986	2.2
53.03935	7.0
55.01854	2.8
55.05509	14.5
57.03436	4.0
57.07064	2.6
59.04990	9.5
62.32095	2.6
67.05503	30.2
69.07054	9.5
70.21628	9.7
71.04998	14.2
75.04482	12.0
79.05495	40.6
81.03401	2.5
81.06592	4.5
81.07051	62.9
83.04976	3.4
83.08612	4.0
85.06537	4.7
89.06030	3.1
91.05476	47.8
93.07042	71.9
95.04961	45.9
95.08603	74.5
97.06545	17.9
97.10181	3.3
98.21438	3.1
102.72045	2.5
103.05427	4.3
105.06309	4.8
105.07026	96.8
107.04952	2.7
107.08591	76.1
109.06509	8.8
109.10146	22.0
115.09380	2.4
116.06228	2.4
117.07006	14.0
119.07800	4.5
119.08576	44.1
121.06500	8.1
121.10139	34.0
123.08045	10.5
123.11691	4.1
125.09631	31.9
128.06203	4.1
129.07007	4.4
130.07823	2.7
131.08569	16.4
133.10118	49.8
135.08044	5.3
135.11694	42.6
136.08853	5.8
137.09599	6.1
139.11165	13.6
142.03743	2.7
142.07790	5.5
143.08583	18.1
145.10147	18.3
147.08015	3.6
147.11691	14.2
149.09621	6.0
149.13257	34.9
151.11171	6.2
157.10110	18.4
159.11674	25.1
160.87006	2.7
161.09660	3.8
161.13263	23.0
169.10110	5.2
171.11685	5.6
173.13226	15.9
175.11105	2.7
175.14836	9.8
177.12711	11.9
178.13498	8.1
179.14261	5.9
185.13295	6.6
187.14790	8.0
188.11978	2.7
191.14250	13.3
195.13792	21.3
199.14745	4.8
201.16371	2.8
203.14319	18.4
213.16368	8.0
213.69353	2.5
215.14124	2.8
217.15862	4.4
219.13730	5.7
221.15353	100.0
236.14888	3.4
243.17473	3.8
278.20905	2.8
624.28333	6.3
624.43329	11.5
628.03937	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	624.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	2.3
55.01871	4.3
55.05512	16.0
57.03449	3.1
57.07069	6.6
59.05015	2.3
67.05510	9.5
69.03426	9.5
69.07072	49.5
70.19150	7.2
71.04989	2.3
73.02932	1.9
79.05488	5.8
81.03421	5.4
81.07057	39.9
83.04993	4.4
83.08622	7.5
84.05642	1.9
85.02916	13.8
87.00842	4.7
91.05441	4.6
93.07037	16.0
95.08614	25.6
97.02894	6.1
97.06519	8.6
97.10168	42.8
99.04420	2.3
99.08082	2.2
105.01866	4.2
105.07038	5.2
107.08585	15.5
109.02865	3.6
109.06501	3.3
109.10165	14.3
111.08113	2.1
111.11729	18.7
115.11263	2.6
119.08582	7.0
121.10154	15.7
122.09673	2.5
123.08070	1.9
123.11708	19.9
127.03916	9.6
127.08691	2.0
133.10153	6.0
135.11697	6.7
137.06020	2.1
137.09584	2.2
137.13249	3.8
139.11183	44.9
141.06635	1.9
145.04941	2.2
147.11678	6.2
149.13235	4.7
151.11205	1.9
153.12729	4.0
157.12247	38.6
159.02963	2.8
159.11670	2.4
163.14876	2.8
165.12762	3.6
169.20822	1.6
179.10712	3.3
187.13330	2.4
189.16386	3.0
193.15952	2.5
203.12791	17.7
203.17883	2.5
213.03885	2.9
245.22353	2.3
249.18491	4.6
259.24127	2.4
277.25247	3.5
288.17023	2.5
305.24765	44.6
323.25821	100.0
330.21420	2.0
341.26785	16.1
344.64795	2.1
382.11600	1.6
535.29034	3.4
539.39893	2.1
624.25574	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	624.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.9
55.01872	2.0
55.05267	1.6
55.05513	19.3
57.03419	1.4
57.07085	4.8
59.04997	2.4
62.41439	1.0
67.05518	10.2
69.03431	8.3
69.07074	55.3
69.71796	4.1
71.04980	2.3
71.08626	2.8
79.05482	6.5
81.03416	2.6
81.06599	2.3
81.07059	40.5
83.04990	4.7
83.08199	1.2
83.08627	8.6
84.08160	1.4
85.02910	9.3
85.06528	1.5
85.10178	1.1
87.00813	4.1
87.01305	0.9
90.77048	1.0
91.05473	3.9
93.07053	16.8
95.04967	2.1
95.08002	1.0
95.08613	28.0
97.02866	3.6
97.06529	7.7
97.10175	46.3
98.20729	1.0
98.54695	1.0
99.04461	1.3
100.69943	1.0
103.50894	0.9
105.01868	6.3
105.06396	1.0
105.07046	6.0
106.06573	7.0
107.08596	17.7
109.02899	3.1
109.06516	3.4
109.10159	19.7
111.08071	2.3
111.11723	19.5
115.11195	2.8
119.08586	6.8
121.09343	1.6
121.10159	18.1
122.09630	2.2
123.08061	2.4
123.10035	1.1
123.11720	22.5
125.05982	1.4
125.09583	1.2
127.03904	6.7
131.08540	1.9
133.10138	5.9
135.11678	7.8
137.09647	1.4
137.13248	4.0
139.11188	44.3
141.06581	1.5
145.04968	2.4
145.10101	1.7
147.11667	6.2
149.13272	7.0
151.11189	2.1
153.12741	7.0
157.08723	1.5
157.12250	37.4
159.11705	2.2
161.13228	1.4
163.11198	1.6
163.14784	2.4
165.12770	4.9
167.10663	1.4
167.14323	1.3
173.13303	1.7
175.14867	2.4
177.12804	1.2
177.16353	2.1
179.10715	2.6
185.11736	2.4
185.13225	1.2
187.13324	1.6
189.16362	4.4
191.17924	1.1
193.15892	1.9
195.13814	1.4
197.11717	2.3
200.94238	1.0
203.12817	16.5
203.18062	1.3
231.05006	2.5
245.22827	1.4
249.05991	1.2
249.18475	3.2
259.24097	1.6
263.23743	1.4
277.25287	3.3
284.09955	1.3
287.23587	3.3
305.24753	59.7
323.25818	100.0
341.26816	16.8
341.49792	1.4
413.26852	2.2
431.28027	3.0
519.29651	1.0
519.80017	1.0
535.28790	2.9
593.92627	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.1
55.05505	1.8
58.01828	0.4
65.03933	1.3
67.05509	16.9
68.61449	0.5
69.07064	3.7
69.37141	0.6
69.37474	4.1
71.04998	0.9
77.55973	0.5
79.05499	11.7
81.03400	0.5
81.07060	18.8
83.05011	0.6
83.08618	3.3
85.06560	1.0
89.06021	1.1
91.05482	15.6
93.07050	11.2
95.04974	0.6
95.08616	14.3
97.06509	2.1
97.10176	1.1
99.08096	1.3
105.07034	6.5
107.08603	5.4
109.10162	3.3
111.08080	1.9
117.07047	0.9
119.04950	20.8
119.05804	1.1
119.08588	5.4
121.10150	15.5
122.10433	0.5
123.11696	1.5
125.09692	0.6
131.08606	1.3
133.10135	5.2
135.11693	9.8
137.13290	0.8
145.10152	0.7
147.04417	100.0
147.11694	11.0
148.04758	0.5
149.13304	3.6
157.42355	0.5
159.11781	0.6
161.13261	14.9
163.14807	2.7
165.05487	24.8
165.12773	1.6
173.13353	0.9
175.14822	4.1
177.16391	1.1
179.14317	2.7
183.13872	0.6
214.92819	0.5
243.21109	8.2
261.22159	14.9
262.22513	0.6
279.23132	2.6
284.51575	0.5
298.43967	0.5
298.52997	0.6
309.12268	0.5
374.20224	0.5
425.26788	0.9
625.26642	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38545	0.5
51.33814	0.4
53.03939	1.4
55.01871	2.9
55.05510	3.4
55.15660	0.4
56.05034	0.9
57.03437	0.5
57.07077	0.8
57.98798	1.2
58.99586	16.6
61.02927	0.5
67.05504	6.9
69.03416	1.8
69.07078	4.7
69.64986	1.8
69.65412	1.8
70.02939	0.6
70.34466	0.5
71.04977	1.6
71.06196	0.5
73.02909	0.5
76.02229	68.9
76.03975	2.7
79.05069	0.9
79.05489	10.8
80.04995	0.6
81.03405	1.5
81.07059	9.3
83.04954	1.5
83.06078	1.8
83.08613	2.3
84.04505	12.3
85.02905	2.0
85.06558	0.9
86.25834	0.5
86.99054	3.3
88.02208	2.0
91.05482	11.5
93.07046	11.4
95.04955	3.0
95.08604	7.1
97.01108	0.9
97.02908	1.5
97.06522	1.9
97.10150	1.3
98.20859	1.0
99.05565	1.3
102.05527	0.5
103.05431	1.3
105.04515	0.6
105.07034	10.6
106.06533	1.1
107.04965	1.9
107.08589	7.1
109.06523	1.4
109.10127	2.3
111.08069	0.7
114.03771	0.7
115.05462	1.9
116.01679	20.8
117.07041	6.6
119.08567	5.7
121.06497	4.3
121.10146	5.3
123.08035	2.0
123.11667	0.9
124.02248	0.5
125.09664	0.8
127.03915	1.4
128.06250	1.5
129.07057	5.5
130.05002	6.2
131.04938	0.9
131.08582	9.9
133.06502	2.1
133.10136	5.7
135.08060	1.9
135.11664	1.4
137.05933	0.6
137.09608	1.1
139.11203	0.9
141.07001	3.4
142.03232	8.0
142.07771	1.1
143.08557	4.7
144.01154	12.9
144.05670	0.8
145.05107	0.8
145.06303	3.4
145.10124	5.5
147.08076	3.2
147.11621	2.5
149.09613	4.4
149.13278	1.5
151.11166	0.9
154.07788	1.1
155.08554	4.2
157.06444	0.8
157.08681	0.8
157.10130	3.0
159.08086	3.1
159.11707	3.1
161.09596	1.8
161.13232	1.2
162.02208	41.3
163.03879	0.6
163.11226	1.0
165.07040	0.7
165.09012	0.8
167.08563	1.1
167.10609	0.6
169.10147	5.0
170.02672	3.5
171.08066	1.2
171.11690	5.0
173.09647	2.0
173.13274	2.1
175.09761	0.9
175.11212	1.5
175.14848	1.0
177.12799	0.9
179.04857	100.0
181.10065	1.0
183.08115	0.5
183.11713	1.9
185.09598	1.0
185.13281	1.7
187.03903	0.6
187.05411	2.3
187.11214	1.8
187.14839	2.5
189.12759	2.4
189.16269	1.3
193.10254	0.7
195.11699	1.6
197.09639	0.8
197.13257	3.6
199.11252	1.3
199.14870	1.0
201.12729	1.5
203.14383	1.3
205.12277	0.6
207.11760	1.1
211.11282	0.7
211.14888	0.8
213.12770	1.4
215.04869	1.4
215.14316	5.8
225.12743	1.1
233.03529	0.8
233.05899	13.5
233.08099	1.1
239.14478	0.7
243.13835	0.7
245.05960	3.9
253.19630	1.1
263.17892	0.7
269.19058	0.7
271.20212	0.7
281.19000	3.6
287.23721	1.0
288.17087	0.6
290.08151	1.3
291.06412	3.4
297.18494	1.0
299.20078	7.7
305.24765	2.9
308.09113	29.6
315.19574	4.5
317.21103	10.4
323.25757	8.0
341.26920	2.0
374.21414	1.0
375.19833	0.9
376.24503	0.7
392.22607	8.0
402.20795	0.9
477.24133	6.4
495.25134	1.2
503.26086	0.7
549.26477	4.1
606.28271	1.8
624.29553	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	624.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	8.8
55.01862	4.4
55.05515	13.9
57.03410	3.5
57.07072	4.0
58.99577	3.8
61.02913	3.6
67.05500	17.6
69.03424	16.3
69.07070	19.9
70.06562	3.6
71.04995	19.0
71.48624	3.0
73.02923	4.4
74.28094	2.3
76.02225	10.6
79.05505	21.7
81.03419	18.0
81.07060	53.0
83.04979	6.0
83.08621	5.5
84.04500	3.0
84.08139	2.1
85.02909	30.8
85.06528	4.6
86.00672	4.1
86.99049	3.2
87.00835	11.8
87.04466	3.4
88.02203	4.4
88.03949	5.6
90.56227	1.9
91.05477	31.2
91.26257	2.0
93.07046	44.9
95.04966	12.0
95.08606	33.3
96.08127	5.0
97.02877	15.3
97.06533	30.7
97.10187	3.5
99.02672	5.1
99.04433	5.0
100.02195	6.4
105.00073	4.9
105.01854	9.6
105.07034	81.0
107.08602	44.1
109.02895	11.2
109.06527	4.0
109.10168	25.8
111.02689	20.7
111.08068	2.8
113.04264	3.1
113.06033	2.2
113.09623	2.3
117.01823	3.4
117.07024	14.2
119.04908	3.0
119.08588	36.8
121.06519	5.3
121.09329	4.2
121.10144	44.5
122.02734	28.7
123.08018	4.2
123.11691	11.2
125.09633	32.4
127.03944	15.8
127.11179	5.5
129.01801	3.6
129.06993	2.8
130.07732	3.0
131.08565	21.3
132.01192	12.2
133.06474	2.1
133.10141	100.0
134.02675	4.5
135.08038	2.2
135.11681	20.1
137.05988	27.3
137.09650	2.7
138.06273	2.2
139.11220	2.9
143.08574	3.5
143.10652	13.8
144.09355	3.7
145.04941	6.3
145.09073	3.3
145.10136	38.6
146.02698	5.3
147.04404	5.3
147.11699	29.3
149.05927	2.8
149.13245	9.4
151.11200	6.7
153.12808	3.2
157.10107	5.8
158.10909	2.7
159.02896	5.4
159.11703	35.4
161.05975	2.5
161.13286	11.1
163.03876	6.3
164.03877	2.4
164.07085	4.1
165.07146	2.7
166.03188	3.5
173.13248	5.4
175.14824	5.4
177.07851	5.1
177.12704	2.8
177.16269	2.8
188.03856	3.3
189.16388	11.0
200.07414	10.7
201.16396	37.2
207.17468	2.4
212.03775	2.8
219.17442	62.5
231.05006	3.4
233.11737	16.3
237.06284	2.1
237.18524	12.1
245.82690	2.3
250.14359	17.5
251.14546	3.1
310.90329	2.3
322.18436	2.7
328.19446	3.7
334.05960	3.4
340.19427	57.2
352.07016	3.0
358.20462	82.9
370.07965	11.6
376.21472	29.4
441.89426	2.4
462.24823	4.4
552.12000	4.6
606.25757	8.8
624.27100	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	8.8
55.01862	4.4
55.05515	13.9
57.03410	3.5
57.07072	4.0
58.99577	3.8
61.02913	3.6
67.05500	17.6
69.03424	16.3
69.07070	19.9
70.06562	3.6
71.04995	19.0
71.48624	3.0
73.02923	4.4
74.28094	2.3
76.02225	10.6
79.05505	21.7
81.03419	18.0
81.07060	53.0
83.04979	6.0
83.08621	5.5
84.04500	3.0
84.08139	2.1
85.02909	30.8
85.06528	4.6
86.00672	4.1
86.99049	3.2
87.00835	11.8
87.04466	3.4
88.02203	4.4
88.03949	5.6
90.56227	1.9
91.05477	31.2
91.26257	2.0
93.07046	44.9
95.04966	12.0
95.08606	33.3
96.08127	5.0
97.02877	15.3
97.06533	30.7
97.10187	3.5
99.02672	5.1
99.04433	5.0
100.02195	6.4
105.00073	4.9
105.01854	9.6
105.07034	81.0
107.08602	44.1
109.02895	11.2
109.06527	4.0
109.10168	25.8
111.02689	20.7
111.08068	2.8
113.04264	3.1
113.06033	2.2
113.09623	2.3
117.01823	3.4
117.07024	14.2
119.04908	3.0
119.08588	36.8
121.06519	5.3
121.09329	4.2
121.10144	44.5
122.02734	28.7
123.08018	4.2
123.11691	11.2
125.09633	32.4
127.03944	15.8
127.11179	5.5
129.01801	3.6
129.06993	2.8
130.07732	3.0
131.08565	21.3
132.01192	12.2
133.06474	2.1
133.10141	100.0
134.02675	4.5
135.08038	2.2
135.11681	20.1
137.05988	27.3
137.09650	2.7
138.06273	2.2
139.11220	2.9
143.08574	3.5
143.10652	13.8
144.09355	3.7
145.04941	6.3
145.09073	3.3
145.10136	38.6
146.02698	5.3
147.04404	5.3
147.11699	29.3
149.05927	2.8
149.13245	9.4
151.11200	6.7
153.12808	3.2
157.10107	5.8
158.10909	2.7
159.02896	5.4
159.11703	35.4
161.05975	2.5
161.13286	11.1
163.03876	6.3
164.03877	2.4
164.07085	4.1
165.07146	2.7
166.03188	3.5
173.13248	5.4
175.14824	5.4
177.07851	5.1
177.12704	2.8
177.16269	2.8
188.03856	3.3
189.16388	11.0
200.07414	10.7
201.16396	37.2
207.17468	2.4
212.03775	2.8
219.17442	62.5
231.05006	3.4
233.11737	16.3
237.06284	2.1
237.18524	12.1
245.82690	2.3
250.14359	17.5
251.14546	3.1
310.90329	2.3
322.18436	2.7
328.19446	3.7
334.05960	3.4
340.19427	57.2
352.07016	3.0
358.20462	82.9
370.07965	11.6
376.21472	29.4
441.89426	2.4
462.24823	4.4
552.12000	4.6
606.25757	8.8
624.27100	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	10.9
55.01869	5.6
55.05511	39.8
55.59922	2.0
57.03439	15.8
57.07079	3.2
59.05005	13.4
65.03928	5.8
67.05506	100.0
69.03430	26.1
69.07065	17.9
69.55183	2.4
70.93783	5.2
71.04981	9.8
71.08634	2.9
73.02917	3.6
79.05087	3.6
79.05498	45.3
81.03423	50.7
81.06598	4.1
81.07058	67.0
83.04984	29.6
83.08607	15.2
85.02886	6.6
85.06556	2.9
87.04468	2.4
89.06027	10.4
91.05488	44.2
93.07046	46.2
95.04974	12.3
95.08607	36.9
97.02898	21.5
97.06530	8.7
97.10175	18.2
99.04443	7.2
99.08112	3.4
103.05456	3.1
104.43141	2.0
105.06403	3.2
105.07041	38.8
107.04935	4.0
107.08590	29.2
109.02879	10.3
109.06512	5.8
109.10162	49.2
111.04459	11.2
111.08018	5.7
115.05490	2.0
117.07001	12.1
117.09110	2.3
119.08600	20.7
121.06483	3.9
121.10152	19.4
123.08026	3.9
123.11688	7.2
125.09653	13.7
127.03893	9.5
129.05516	15.5
129.07030	10.1
131.08585	19.7
133.06425	2.9
133.08606	4.7
133.10118	14.2
135.08025	8.9
135.11702	13.0
137.09596	7.2
139.11201	2.3
141.06953	4.4
143.08545	8.3
145.06509	2.8
145.10135	12.5
147.08051	5.9
147.11705	11.4
149.09607	9.8
149.13263	7.4
153.09181	2.1
155.08498	2.4
155.10646	5.2
157.10118	7.3
159.11707	11.3
161.09668	4.3
161.13254	6.8
163.11259	2.6
167.08420	2.5
169.10152	2.6
171.08040	2.8
171.11716	5.7
173.09544	3.2
173.11746	12.0
173.13135	4.2
175.07581	2.3
175.11212	4.2
175.14767	3.2
177.12712	3.4
179.08540	2.5
181.10069	2.4
183.11635	6.5
184.07239	2.9
185.13210	4.6
187.11116	3.8
189.11247	13.9
197.13382	3.5
201.12738	2.7
203.10764	2.4
207.13828	2.1
213.16446	3.4
215.17976	8.1
217.19565	2.5
227.12729	14.7
227.17697	2.4
229.14308	23.2
233.19046	7.4
237.56207	2.6
239.14291	2.5
245.13884	5.1
261.18463	4.6
273.18405	3.4
275.20175	3.3
299.14758	3.9
299.19962	2.4
307.22604	13.0
309.24362	11.3
317.21243	3.1
323.20206	5.1
327.61163	2.1
329.21042	2.6
335.25571	2.6
341.21167	7.2
343.22711	2.7
359.22223	3.2
371.17059	5.1
373.18475	6.9
377.23050	3.2
415.24872	2.9
461.32581	5.2
479.33691	3.2
563.26886	2.4
569.34473	3.5
587.35541	5.9
605.36865	17.9
623.27783	6.2
623.36310	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36705	0.9
53.03936	2.6
55.05518	5.5
57.03445	1.2
59.05003	1.5
64.13534	1.0
65.03935	3.9
67.05511	38.5
69.07063	7.3
69.92912	4.6
72.76777	1.0
75.70124	1.0
79.05497	30.1
81.07064	47.2
83.08630	5.6
85.06549	2.3
87.04469	1.4
89.03923	4.3
91.05487	27.7
93.06494	1.5
93.07056	25.8
93.66950	0.9
95.04974	2.0
95.08617	28.5
97.06518	4.0
97.10184	1.7
99.08086	2.8
105.07046	12.7
107.04961	2.3
107.08605	11.5
109.10170	8.5
109.14211	1.0
111.08083	4.1
117.03391	7.6
119.04951	26.3
119.08597	9.8
121.02868	4.2
121.10151	33.1
123.11712	1.8
125.09641	1.3
133.10156	12.8
135.04425	17.1
135.11705	21.2
145.02847	10.0
145.10136	1.9
147.04422	100.0
147.11697	23.5
149.13289	7.3
159.11761	1.4
161.05975	3.1
161.13264	32.6
163.03922	84.0
163.14905	6.5
164.04193	1.4
165.05492	23.9
165.06897	1.8
165.12738	2.0
173.13268	1.2
175.14839	11.1
177.16310	1.9
179.14326	3.6
181.04979	15.7
191.03418	2.0
201.09450	1.0
233.04483	3.3
239.07013	4.1
243.21126	10.0
249.05510	2.1
261.22156	25.5
267.06506	6.1
279.23236	2.3
279.37924	1.2
285.07574	1.9
309.07706	5.3
322.65829	1.0
327.08658	1.4
582.83984	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.4
55.05508	2.8
57.03443	1.6
59.05001	1.9
60.49783	1.1
67.05510	15.1
68.05912	1.0
69.07071	2.7
71.04967	1.7
71.08308	1.5
71.08664	1.9
79.05486	9.3
81.03408	1.5
81.07058	19.6
83.08619	2.1
83.88203	1.0
89.03922	5.9
91.05488	5.6
93.07038	10.6
95.04980	1.4
95.08614	13.6
97.06544	1.4
105.07022	4.2
107.04971	2.5
107.08582	4.7
109.10193	5.1
109.10828	1.1
117.03358	7.5
119.08627	2.8
121.10151	8.3
123.04450	2.0
123.11724	3.1
131.08557	1.5
133.10129	2.1
135.04413	17.1
135.11659	5.8
137.02298	1.5
137.05995	1.5
145.02829	11.5
147.04401	2.3
147.11597	1.4
149.13274	6.7
161.05922	1.1
161.13332	1.7
163.03908	100.0
163.14857	3.2
175.14848	1.1
177.93561	1.1
181.05000	5.0
215.52870	1.1
233.04436	1.7
263.23721	2.9
283.05978	2.3
325.06992	2.3
425.26801	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	1.1
55.05511	1.5
57.03437	2.1
57.07065	1.0
58.64116	1.0
59.04999	12.4
60.05347	1.3
67.05507	4.6
68.49008	0.9
69.03419	1.1
71.50079	1.0
79.05501	3.6
81.03420	1.4
81.07061	3.9
83.08619	1.2
85.05396	0.8
85.92972	0.9
89.06015	1.4
91.05479	2.9
93.07043	3.5
95.04996	1.7
95.08620	2.6
97.02934	1.0
97.10147	1.0
103.07581	2.6
105.07041	6.5
107.08607	1.3
109.10163	2.4
117.06969	1.9
117.09167	1.9
119.08601	3.4
121.10101	0.9
122.30879	0.8
129.07019	1.1
131.08571	1.3
133.10112	1.6
135.11719	1.0
145.10138	1.8
145.66707	0.9
147.11673	1.2
157.10091	1.1
159.11754	1.1
163.07538	1.3
209.10788	1.2
273.44510	0.9
289.18015	1.2
299.19904	1.0
391.19162	2.4
401.17694	1.4
403.19202	3.4
405.21069	2.1
406.21585	2.1
416.20172	1.1
417.21008	2.6
418.17566	1.2
419.18280	2.6
419.23077	2.1
421.24045	1.8
429.16885	2.1
430.17453	1.5
431.18533	3.1
431.23288	1.8
432.19290	1.4
433.19629	2.6
433.25021	5.5
434.20963	1.2
443.18427	1.1
444.19547	3.7
445.19992	6.7
446.21021	2.1
447.21967	3.6
448.22726	1.3
449.23608	5.7
458.20956	2.0
459.21771	28.0
460.22498	4.6
461.19345	2.8
461.24551	1.9
463.21326	1.5
465.23276	1.1
472.22839	0.9
473.23813	1.1
475.21054	1.2
476.21738	4.6
477.22833	4.3
487.25415	1.4
489.22961	2.2
503.24670	1.3
519.23602	5.3
531.23883	1.9
533.25421	2.2
535.27576	4.2
545.25391	6.6
546.25787	1.1
547.26959	13.0
563.26532	17.9
564.27155	1.8
577.28082	1.6
591.26038	3.2
595.29236	1.8
605.27563	9.5
606.28424	59.1
607.28436	1.3
623.28632	100.0
624.28674	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	623.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04999	0.5
67.05497	0.4
69.07041	0.2
70.61948	0.5
70.62278	0.4
72.31946	0.2
79.05483	0.6
81.07044	0.5
82.11531	0.2
91.05480	0.5
93.07029	0.5
95.08598	0.5
105.07036	0.4
105.91033	0.3
107.08571	0.4
119.08580	0.8
121.10140	0.4
131.08542	0.3
150.14050	0.2
207.03296	0.2
209.10703	0.5
221.10780	0.2
223.12294	0.4
224.13011	0.3
229.22227	0.3
289.17902	0.3
377.17746	0.3
387.16110	0.4
388.16608	0.4
389.17719	1.0
390.18530	0.5
391.19287	1.2
392.19833	0.4
400.16647	0.3
401.17752	0.7
402.18631	0.8
403.19598	1.5
404.20010	0.8
405.21005	2.5
406.21777	0.6
407.22476	0.7
413.17822	0.3
415.19125	1.0
416.19855	0.7
417.16760	1.0
417.21793	1.7
418.17450	0.8
419.17758	0.4
419.22751	3.1
420.23077	0.8
421.24179	0.6
428.15720	0.3
429.16574	0.6
429.21432	0.5
430.16943	1.4
430.22778	0.4
431.17953	2.6
432.19211	0.9
432.23926	0.5
433.20197	5.4
434.20981	0.7
435.21893	0.5
443.17850	1.3
444.18936	1.8
445.19827	4.0
446.20978	2.6
447.21881	4.1
448.22873	1.1
449.23401	0.5
457.20282	0.7
458.20929	5.6
459.21759	4.9
460.22729	3.7
461.19385	0.5
463.21283	2.2
470.79196	0.3
471.22574	0.6
472.21982	0.5
473.23154	0.8
475.20978	1.4
476.21738	1.2
477.22794	1.5
489.19360	0.7
490.23535	0.4
491.25101	0.5
503.24353	0.4
504.25171	0.4
505.22281	0.8
506.23276	0.4
507.27283	0.7
513.23218	0.4
516.22107	0.3
517.22876	1.1
518.23022	4.0
519.23566	0.5
520.25311	0.3
521.21936	1.4
530.23151	0.5
531.23578	0.7
532.24353	0.5
533.25494	6.7
534.26025	0.4
535.26324	1.6
545.25494	2.3
546.26019	1.2
563.26477	4.4
573.24896	1.0
577.28192	0.6
591.26038	0.7
605.27521	9.4
606.27686	0.4
623.28601	100.0
624.28784	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	623.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.7
55.01859	0.6
55.05516	2.1
57.03432	0.7
57.07057	0.5
57.98336	0.4
59.04994	1.2
60.08157	0.4
67.05504	3.2
69.03436	1.1
69.07063	2.0
71.04999	0.4
71.49858	0.8
79.05039	0.5
79.05489	4.5
81.03405	1.6
81.07056	7.4
83.04964	0.7
83.08614	0.7
85.02911	0.5
86.09692	1.4
87.09232	0.4
91.05492	2.8
93.07035	2.9
95.04992	0.6
95.08616	1.9
97.02893	0.6
97.06547	0.7
97.10199	0.9
105.07034	3.6
107.04944	0.9
107.08581	1.6
109.06428	0.5
109.10163	1.7
111.08023	0.5
117.07014	1.3
119.08591	1.5
121.06532	1.1
121.10146	1.4
125.00020	1.1
127.07538	0.5
129.07037	0.7
131.08589	1.6
133.08604	0.5
133.10153	1.1
135.07973	0.5
135.11700	1.1
143.08574	1.0
145.10165	1.3
147.11697	1.0
154.58388	0.5
157.10077	1.0
169.10173	0.5
171.11758	0.6
184.07359	4.3
195.09125	0.4
199.09773	0.4
201.11253	1.0
234.23117	0.5
252.51398	0.4
258.02164	0.5
275.20145	1.3
389.17664	1.3
391.19403	0.9
400.16983	0.6
401.17749	0.6
402.18307	0.7
403.19571	2.2
404.20029	1.2
405.21048	1.1
415.19122	1.5
416.19919	1.3
417.17145	2.5
417.21082	2.2
418.21915	0.7
419.22534	5.1
420.23077	0.7
429.16672	1.0
429.21594	0.7
430.17526	1.0
431.18735	3.5
431.23062	2.0
432.19647	1.7
433.20267	2.3
435.21820	0.7
442.17953	0.6
443.18564	4.2
444.19543	1.6
445.20032	8.2
446.20883	5.3
447.22415	5.0
449.23471	1.6
457.20190	1.5
458.21136	0.8
459.22064	3.5
461.19565	1.1
462.20706	1.8
463.21359	1.7
473.23157	0.5
475.21420	1.6
476.22037	4.8
477.22910	5.5
489.23334	2.1
490.23386	0.9
491.20953	0.7
503.25027	0.8
505.22662	0.8
517.24982	0.5
519.23218	0.6
521.22125	1.6
525.35559	0.6
533.25531	15.6
534.24933	0.6
535.23389	0.5
545.25531	0.7
561.25488	0.7
563.26587	16.9
563.35339	1.0
565.28522	0.6
591.26044	0.5
593.27655	3.7
594.25104	0.9
605.27460	1.1
623.28619	100.0
624.28766	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	623.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02666	0.5
56.88543	0.4
57.07028	0.6
57.59472	0.4
58.29996	0.4
59.04926	0.5
69.84494	2.7
85.92713	0.5
89.05950	1.7
93.06908	0.4
98.21633	0.4
133.08553	1.0
167.47229	0.4
174.04315	0.4
185.58052	0.5
223.12273	1.0
237.13759	0.5
247.12257	0.5
268.47113	0.4
276.07565	0.4
375.17102	0.5
376.16971	0.5
377.17609	1.8
378.18350	1.2
388.17654	0.8
389.18512	1.7
390.18503	1.5
391.19147	4.2
392.19980	3.2
393.20737	1.6
399.16040	1.5
400.16974	2.0
401.17798	1.6
402.19101	0.7
403.19656	1.2
404.20322	2.1
405.20901	5.5
406.21512	4.3
407.22302	15.0
408.22870	0.5
412.17447	0.8
413.17557	2.3
414.18573	3.3
415.19138	5.7
416.20288	1.3
417.20837	1.4
419.17825	0.7
419.23123	2.1
420.23267	2.0
421.23889	12.6
422.24496	3.0
427.19357	2.9
428.20163	4.3
429.20880	14.1
430.22015	3.1
431.17950	0.9
431.22830	0.9
432.19678	1.0
433.19931	2.0
433.24750	1.0
434.25214	0.7
441.21310	0.7
442.22159	2.0
443.22528	7.5
444.23337	5.6
445.20001	2.4
446.21045	0.6
447.18097	1.7
449.23114	1.4
452.22388	0.7
455.18591	0.8
456.19400	1.7
457.23822	3.9
458.25043	7.7
459.21799	8.9
460.23282	2.5
461.18939	6.1
462.20645	2.0
463.21237	1.9
470.20975	1.5
471.21716	1.9
472.22675	8.7
473.18570	0.7
473.23126	2.7
474.19864	1.1
475.20993	6.5
476.21738	7.3
477.22775	3.7
478.23541	0.8
483.18350	0.8
484.19095	1.6
485.23529	18.7
486.20322	2.6
486.24231	3.3
487.21088	1.5
488.22134	2.4
489.22717	4.8
490.23788	1.6
493.26059	0.8
499.21362	4.0
500.21979	3.4
501.23117	0.6
502.23700	1.6
503.24515	11.4
504.24792	1.6
507.23810	1.1
513.23004	4.5
514.23920	2.8
515.24524	1.5
517.26324	9.4
521.25531	1.2
529.26215	2.1
530.23248	0.8
531.23877	1.1
535.27332	5.9
545.25494	92.6
546.25861	3.2
562.26044	0.7
563.25995	0.9
564.27344	2.0
573.24939	23.4
574.25464	0.8
591.25684	2.2
605.27594	100.0
606.27649	2.9
623.28644	90.8
624.28796	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	623.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03040	0.1
53.03944	0.4
55.01874	0.2
55.05512	0.2
62.36361	0.1
65.03930	0.2
67.05490	0.7
68.01366	0.2
69.03432	0.3
69.07066	0.1
70.03887	0.7
71.62988	0.1
78.05637	0.1
79.05492	1.4
80.04999	0.8
81.03420	0.2
81.05794	0.3
81.07056	0.5
82.06564	0.2
85.02915	0.3
85.42414	0.1
87.00826	0.1
87.04478	0.2
91.05482	0.7
93.05783	0.6
93.07034	0.4
94.06574	2.2
95.04982	0.3
95.08614	0.4
96.04485	0.3
96.08143	1.4
97.02904	0.2
97.06559	0.2
98.06067	0.4
104.05032	0.2
105.01765	0.1
105.07026	1.2
106.06569	3.0
107.04968	0.8
107.07344	13.0
107.08564	0.5
108.04494	0.3
108.08130	0.6
109.02895	0.1
109.05278	0.2
109.10190	0.3
110.06073	0.7
117.05517	0.2
118.06556	0.1
119.05019	0.2
119.08583	0.3
120.08125	0.3
121.08942	0.2
121.10148	0.4
122.06084	2.2
122.09675	100.0
123.06781	0.4
123.09994	0.5
123.28304	0.1
124.07581	1.4
124.11234	4.8
124.29028	0.1
125.09587	0.1
125.68514	0.2
126.05513	0.1
127.03934	0.3
127.11265	0.2
129.06996	0.2
131.08592	0.3
132.04422	0.2
132.08122	0.2
133.06509	0.2
134.06029	0.9
134.09703	0.2
135.08084	0.2
135.11589	0.2
136.03989	0.9
136.07562	0.4
137.05969	0.7
138.09149	0.2
140.07066	0.5
146.06015	0.2
147.04326	0.2
148.07590	0.4
148.11208	1.3
149.13232	0.1
150.05511	4.0
152.07085	2.8
158.08092	0.7
160.07562	0.2
162.05522	0.3
164.07060	1.9
168.06557	0.2
172.07578	0.3
174.09129	0.2
175.07451	0.2
175.08742	0.3
176.07172	0.7
176.09340	0.4
176.10721	3.2
177.06606	1.6
177.12724	0.2
178.04997	3.3
181.09807	0.4
186.05508	0.2
188.07115	0.6
189.10266	0.3
190.08661	0.6
191.08185	0.4
192.06662	0.2
193.09755	0.3
194.08107	0.3
196.06055	1.7
200.07133	0.4
200.15184	0.2
202.08694	1.3
203.04414	0.2
203.08174	3.9
204.06569	1.6
205.06158	0.3
205.09627	0.3
211.10822	0.4
213.08763	0.6
213.10518	0.2
215.06161	0.1
217.09747	2.6
218.08199	0.5
228.06615	1.0
229.06146	0.2
230.08156	1.6
231.07750	0.4
233.11667	0.2
234.10117	0.2
235.10796	8.5
242.08229	0.4
243.11218	0.1
244.09807	0.3
245.09242	3.9
246.07800	0.6
247.10817	0.3
248.09161	1.2
253.11867	2.0
257.09201	0.5
259.10898	0.4
261.08670	1.3
261.12479	0.5
263.10275	4.7
264.10883	0.2
265.11923	0.3
270.07565	0.2
272.09283	0.5
279.09802	0.5
279.13120	0.2
285.08786	0.5
286.22617	0.5
287.10303	1.9
288.08771	0.3
289.11835	1.0
290.10339	0.6
294.16180	0.2
304.23611	0.3
305.11343	6.1
307.12909	3.0
313.08328	0.6
322.15570	0.3
322.24530	0.4
331.09421	0.5
333.11151	0.3
335.16443	0.4
337.22940	0.2
339.25482	0.2
340.25708	0.5
353.13144	0.2
364.20242	0.9
386.20868	0.5
392.19748	0.2
398.17349	0.2
407.16187	0.3
410.20773	7.3
411.20273	0.2
412.15262	0.2
425.17175	0.6
428.21860	7.9
429.22159	0.2
430.16251	1.0
436.18604	0.3
448.17154	0.9
450.16504	0.3
454.19833	2.8
462.25311	0.2
468.18045	0.5
484.17343	0.3
486.18976	0.4
502.18387	0.3
579.30084	0.4
587.25293	0.3
605.26141	3.3
623.27264	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02020	1.9
51.46848	1.5
52.60230	1.9
53.03931	2.2
53.22295	1.5
55.01854	2.4
55.05514	8.8
57.03415	2.9
57.07057	3.0
59.04979	4.2
66.51257	1.6
67.05497	13.6
69.03419	2.5
69.07054	4.3
79.05492	12.8
81.03414	4.9
81.07050	14.5
83.08604	4.0
83.13403	1.6
86.09688	3.5
87.04447	2.5
89.06047	8.3
91.05480	10.4
93.07055	12.0
95.08601	10.4
97.06477	3.5
97.10156	4.2
104.21786	2.1
104.32044	1.8
105.06411	2.7
105.07036	37.1
106.07339	2.3
107.08565	7.7
109.06425	1.9
109.10101	3.6
117.06963	4.6
119.08550	6.8
121.06461	2.7
121.10124	3.4
124.99963	2.7
129.07002	4.3
131.08549	5.7
131.77609	2.0
133.06409	2.0
133.08582	3.6
133.10092	5.8
135.08051	4.3
135.11635	2.6
143.08551	3.7
145.10114	4.0
147.07990	2.0
147.11584	2.8
154.52226	1.7
155.08524	4.2
155.09743	1.7
157.10109	3.0
159.11639	3.1
162.98624	1.7
167.08525	2.5
171.11624	3.7
173.13225	1.7
181.10181	2.6
183.11600	3.3
184.07326	8.7
189.11118	3.1
195.11668	3.3
197.13251	2.2
211.14607	2.3
225.10214	1.9
225.16327	1.9
227.12617	3.2
313.21231	1.9
338.12500	1.8
363.16110	2.3
376.16272	1.9
377.17307	3.2
385.14645	2.0
387.16269	3.2
388.16943	1.8
389.17410	3.1
390.18918	2.2
391.19174	4.6
392.19843	4.3
393.20679	3.9
400.16891	2.4
401.17508	6.1
403.19177	2.1
404.99283	1.7
405.20856	2.2
407.21915	4.3
413.17291	2.9
414.18210	2.4
415.19131	8.8
416.19565	2.5
417.20837	4.2
418.21988	3.4
419.18365	4.4
421.19858	2.5
428.19974	4.7
429.20847	4.9
435.21628	2.4
443.22742	4.1
444.19092	5.0
445.24039	4.0
447.18011	7.2
448.18491	2.8
461.19354	7.6
462.20047	6.4
463.20969	4.3
471.22232	12.0
475.20996	6.1
477.22598	7.5
484.19025	2.4
485.19440	3.5
486.20407	4.1
488.22125	2.1
489.22849	6.3
490.19595	6.8
491.20044	2.9
499.21255	14.2
500.18314	2.6
501.22455	5.4
503.20285	8.0
507.24026	3.2
517.22192	10.3
518.22815	2.8
529.22644	10.1
535.23022	7.9
536.23859	2.3
545.21704	55.1
547.27039	8.6
549.24591	6.9
550.25574	9.8
555.19690	3.2
563.22644	8.4
573.21503	17.6
579.29144	6.7
591.25214	6.2
605.23859	100.0
605.41589	5.9
606.23804	3.3
623.25220	99.2
623.43488	14.9
624.25073	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	622.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87556	1.8
53.03946	6.1
55.01875	5.3
55.05510	8.0
57.03437	4.9
57.07066	2.9
59.05017	2.9
61.02930	2.1
67.05510	28.7
69.03432	12.6
69.07076	22.1
69.41475	8.8
69.41875	3.5
70.49326	1.8
71.05009	4.4
71.08639	2.0
72.90676	1.5
73.02912	2.2
79.05493	7.2
81.03422	15.1
81.06595	2.5
81.07060	39.2
83.08617	6.4
85.02910	19.9
85.06609	1.8
87.00839	12.1
91.05503	6.9
93.07040	19.6
95.04968	7.8
95.08610	27.7
97.02898	16.7
97.06540	4.4
97.10157	2.2
99.04449	7.0
105.01884	6.6
105.07024	8.5
107.07384	4.0
107.08600	22.8
109.02894	14.3
109.06541	5.1
109.10159	100.0
111.08075	2.7
111.11686	2.3
114.96123	2.5
119.08611	6.8
121.06503	2.6
121.10136	10.0
122.09695	15.2
123.09984	10.4
123.11684	11.5
124.07629	2.3
124.10410	2.5
127.03926	19.2
129.01872	2.6
131.08549	4.2
133.10135	7.8
135.08034	2.6
135.11694	9.3
136.06172	11.4
137.09622	22.7
137.13246	2.2
139.11192	3.9
145.04977	4.9
145.10107	2.3
147.08015	4.2
147.11694	5.3
149.09686	3.0
149.13210	3.1
151.11169	15.6
153.12784	9.9
155.10703	9.2
159.02872	5.3
159.11606	3.2
161.09642	1.9
161.13251	2.2
163.11267	2.8
165.07674	1.5
165.09125	35.6
165.12833	3.4
167.10707	3.4
173.13315	3.5
175.14835	2.7
177.09117	3.0
177.12656	2.3
179.10680	3.8
183.10204	6.8
203.07991	1.6
204.10207	4.9
205.10542	3.1
207.13751	2.1
213.03929	1.9
217.09752	3.8
218.10120	3.4
227.18033	2.0
231.05067	4.6
235.10864	4.0
236.11148	2.2
261.08655	13.2
261.22131	4.2
262.09058	8.9
269.69684	2.0
285.08777	3.0
285.22168	4.7
287.10358	1.9
303.23212	64.4
321.24249	63.1
331.09595	2.5
348.07114	4.1
400.18658	6.3
401.18951	9.3
405.33572	2.1
411.25201	3.9
429.26157	4.7
471.19330	2.7
533.27515	2.0
551.28436	8.3
569.29645	8.2
576.28662	5.5
594.28986	4.5
604.28540	21.1
616.78467	2.1
622.23242	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	622.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93034	1.1
52.93685	1.1
53.24975	1.1
54.38390	1.2
57.07077	2.4
59.05009	6.6
67.60819	1.2
71.49957	1.6
79.96915	1.3
89.06033	11.9
99.06451	1.1
103.64690	1.2
117.09149	1.9
145.12242	5.5
155.82579	1.2
166.19766	1.2
203.16486	3.3
223.12259	1.4
225.10345	1.3
225.13766	1.4
377.17679	1.4
394.00320	1.3
403.19476	1.9
404.16312	1.5
405.20953	2.2
417.17062	3.5
418.17914	2.5
431.18906	2.3
432.19455	4.1
433.20316	4.0
445.16617	3.8
446.17462	5.4
447.17719	4.8
447.22079	6.7
448.23306	1.9
459.17911	2.4
460.19077	4.0
461.19455	7.6
462.20676	4.4
473.19611	1.6
474.20139	2.2
475.21301	21.9
476.22195	11.8
477.23062	7.7
483.62375	1.4
489.23334	2.3
503.20203	6.9
505.22665	1.5
535.23120	13.2
536.23969	2.8
545.25488	1.4
547.23615	4.7
549.24933	3.1
562.25421	13.8
563.26477	15.6
579.26239	3.2
590.25055	8.0
593.25983	4.6
594.28259	4.8
607.25476	5.0
622.27856	100.0
623.28711	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	622.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.2
55.01871	1.6
55.05512	1.8
57.03431	1.1
57.43789	0.7
61.02927	0.9
62.77085	0.6
67.05520	3.6
69.03418	2.0
69.07058	2.6
70.03812	2.6
71.02452	0.8
71.04996	2.3
78.68625	0.7
78.72137	0.7
79.05495	3.3
81.03419	2.4
81.07066	7.1
83.08608	1.1
85.02900	3.8
87.00814	1.6
91.05495	3.2
93.07040	6.1
94.06562	2.7
95.04961	1.0
95.06931	0.9
95.08607	7.1
97.02902	2.2
97.06564	1.9
105.01871	1.1
105.07050	6.3
106.06589	3.9
106.07255	0.7
107.06254	0.8
107.07375	16.1
107.08557	4.9
108.07667	6.6
109.02870	1.3
109.08025	0.8
109.10165	4.9
111.08107	1.3
117.07024	1.3
119.08584	4.8
121.10150	2.5
122.06049	2.5
122.09680	100.0
123.06412	1.4
123.08091	1.5
123.10023	49.8
124.07625	2.7
124.10374	7.4
124.11252	1.2
125.07914	1.2
125.09618	1.2
125.11587	0.9
127.03937	3.0
127.11228	3.5
129.07030	0.9
131.08633	3.1
133.10135	3.0
135.08061	1.8
135.11697	2.0
136.07574	4.2
137.07942	1.8
137.09615	1.5
138.09154	1.5
140.07143	0.8
143.08598	2.0
143.10793	0.8
145.10129	4.2
147.06909	0.7
147.11703	2.5
148.11240	2.0
149.09641	0.8
149.11728	1.1
149.13274	2.0
150.09140	11.5
151.09488	6.6
152.09760	2.1
153.12781	0.8
155.08560	0.9
155.10703	1.3
157.10170	2.8
159.11719	4.4
161.13261	3.2
163.11253	1.1
163.14893	1.6
164.07083	3.7
165.07410	2.3
165.12798	1.2
166.08859	1.2
169.10098	1.0
171.11743	2.0
173.13258	3.1
174.09094	0.7
175.14850	2.3
176.10748	2.3
177.06644	1.4
177.11078	1.5
177.12729	1.3
178.06966	1.1
179.14342	0.8
181.09740	3.7
182.10062	2.4
183.11638	1.6
183.98494	0.7
185.13313	1.0
187.14864	2.9
188.07243	1.2
189.16386	1.1
191.08167	3.5
192.08501	2.2
193.09883	1.2
199.14847	5.3
202.08687	2.3
203.09018	2.3
204.08537	0.7
204.10338	3.1
205.10591	2.5
205.15930	1.2
206.10774	0.9
211.14838	1.2
213.16499	1.3
215.18083	1.2
217.09723	3.3
217.15915	3.0
218.10098	2.0
230.08226	1.5
231.08443	1.0
232.08633	1.0
233.09309	1.0
235.10854	1.3
239.16406	1.5
241.19611	1.2
245.09329	1.0
248.09204	1.0
249.09576	1.4
255.21152	1.1
257.22937	1.1
259.20648	1.1
260.11243	0.8
261.08743	10.1
262.09058	13.7
263.09256	9.4
264.09491	3.9
267.21118	2.5
269.84061	0.8
272.09341	1.2
273.09308	1.1
273.22366	0.9
273.69449	0.7
274.09674	0.7
285.22171	8.1
287.10284	0.8
288.10617	1.5
289.11588	0.8
291.23227	1.5
295.22940	0.8
299.41907	0.8
302.13037	0.7
303.23206	10.7
303.26443	1.0
306.11606	0.8
307.12796	2.1
308.13202	2.7
309.13516	1.5
310.13876	1.0
314.08688	0.8
315.08981	0.9
321.24219	11.2
321.27664	1.0
335.11356	0.9
339.25339	22.0
390.18201	0.9
391.18665	1.5
392.18640	1.0
393.19223	0.8
399.17557	2.5
400.18173	4.5
401.18631	6.8
419.17648	0.8
420.18243	1.6
421.18634	1.5
429.21854	1.0
430.22568	0.9
431.22589	2.3
438.19705	1.5
439.20319	2.5
440.20645	1.0
454.19214	1.5
455.19482	1.3
456.20502	1.5
456.38904	1.0
456.80231	0.7
457.21075	2.7
458.22415	0.8
459.22476	1.8
465.18588	1.4
466.18823	2.9
467.19012	5.4
471.19470	1.9
472.19913	4.7
473.20483	8.0
485.19937	0.7
530.27661	1.8
558.27246	2.2
576.28180	3.4
586.26422	1.0
594.29205	2.6
604.27740	13.4
622.28918	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	621.2712
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
67.05511	0.3
69.22030	1.1
69.22456	1.5
69.49606	0.3
71.08604	0.4
89.06044	0.4
90.62938	0.3
94.23602	0.2
105.07047	0.4
116.35055	0.3
131.08482	0.3
133.08650	0.4
133.58733	0.2
181.37868	0.3
188.41454	0.3
197.10822	0.4
209.10741	0.4
221.10793	0.3
257.32574	0.3
299.14285	0.4
300.15155	0.4
338.16562	0.3
372.14972	0.4
373.14661	0.5
374.15417	0.5
375.16226	1.2
376.17188	0.5
386.16943	0.3
387.16110	1.0
388.17004	1.0
389.17584	3.5
390.18475	1.0
391.19211	1.3
401.17905	1.0
402.13965	0.5
402.19055	1.6
403.15732	0.5
403.19565	4.6
404.20108	1.9
405.20737	2.9
415.19730	0.5
416.16318	1.2
416.20905	0.6
417.16235	3.7
417.21259	1.9
418.17258	0.5
418.21826	1.0
419.22461	8.0
420.23187	0.9
429.17007	0.8
430.17102	1.4
430.22842	0.4
431.18155	7.3
431.23706	0.6
432.19275	2.6
433.20093	2.2
443.18878	0.7
444.19562	0.5
445.19989	5.6
446.21002	6.8
446.26633	0.5
447.21890	10.5
458.20993	0.5
459.17255	0.8
459.21942	2.3
460.17975	0.4
460.23050	0.8
461.19421	1.4
463.21204	0.6
473.19672	1.5
473.24298	0.9
474.20343	7.2
475.21338	8.6
477.23407	0.5
478.23764	0.5
487.21411	3.5
488.22214	1.2
491.20792	0.9
492.25061	0.6
501.22836	1.9
502.23541	0.4
503.21173	0.4
505.25989	1.4
517.22485	0.3
518.23120	0.6
519.20557	1.2
529.22455	0.6
533.25568	14.5
534.25922	0.5
561.25000	21.6
562.25476	0.9
565.27954	0.4
589.24469	0.8
593.27753	4.1
621.27124	100.0
622.27393	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	621.2704
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
52.77692	0.3
56.95654	0.3
62.05269	0.3
63.23759	0.3
69.53960	1.7
79.14151	0.3
85.86297	0.3
98.20753	0.5
143.53500	0.3
360.72607	0.4
375.16486	0.4
382.29462	0.4
387.16010	0.5
388.16779	0.9
389.17679	1.3
390.18466	0.7
401.18112	0.5
402.18652	0.7
403.19302	2.8
404.20203	1.3
405.20917	1.0
416.15964	0.7
417.16217	2.6
418.22018	0.7
419.22391	5.3
420.23050	0.7
429.16885	0.5
430.17667	0.9
431.17996	3.5
432.19495	1.3
433.20142	1.9
444.19366	0.4
445.20053	3.6
446.20892	4.3
447.21844	7.1
448.22205	0.4
449.19669	0.4
459.22803	1.9
461.19827	1.3
463.21680	0.5
473.19003	0.8
473.24283	0.9
474.20499	5.2
475.21158	6.0
487.21170	2.0
488.21954	0.6
491.20514	0.8
501.22919	1.9
505.26038	1.0
519.20367	0.7
529.22211	0.5
533.25452	11.1
561.24988	18.7
562.25720	0.7
565.28143	0.5
589.24658	0.9
593.27545	3.4
607.86200	0.4
621.27081	100.0
622.27124	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62635	0.6
60.71461	0.7
69.16997	2.3
69.17416	4.9
71.00673	0.6
76.18182	0.7
76.63484	0.6
161.92599	0.6
209.10625	0.9
242.87099	0.8
298.13324	0.7
368.40634	0.6
375.16220	0.8
387.16272	1.6
388.16812	1.5
389.17676	4.5
390.18665	1.5
401.17743	1.7
402.14026	1.0
402.18738	2.1
403.19427	7.6
404.20084	3.4
405.20541	2.0
416.16367	2.4
417.16965	3.5
417.21930	4.1
418.21851	1.2
419.17804	0.8
419.22449	8.9
429.16586	1.5
430.17685	2.0
431.18185	10.2
432.19388	2.6
433.20111	2.1
443.18460	1.2
445.20285	9.1
446.21011	7.6
447.21844	15.1
457.20129	0.7
458.20963	0.9
459.17316	1.8
459.22079	2.8
460.18106	1.0
461.19583	1.1
473.19147	1.1
473.24179	0.8
474.20441	13.6
475.21249	17.0
476.21118	0.8
487.21329	4.4
488.22125	1.8
491.20615	1.1
501.23117	3.2
502.23221	0.9
505.26105	1.6
533.25647	12.6
546.22601	1.3
561.25006	94.4
562.25201	4.6
589.24323	3.0
593.27563	3.8
621.27075	100.0
622.27118	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	621.2706
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
52.44905	0.6
55.05505	0.6
57.07058	1.7
59.05001	3.9
64.51539	0.5
67.05505	1.4
69.18864	6.0
77.90224	0.6
79.05508	1.3
81.07053	2.1
83.08619	1.4
85.10230	0.6
87.04437	0.7
89.06030	2.5
91.05465	1.5
95.08609	0.8
98.39378	0.6
101.06042	0.7
105.07016	0.6
109.10170	0.9
117.09111	0.7
121.30715	0.5
141.72577	0.6
145.12282	0.9
212.87567	0.6
250.12206	0.6
311.78940	0.8
313.27570	0.7
317.55344	0.6
375.16019	0.7
388.17053	0.8
389.17844	2.4
390.18890	1.1
401.17822	1.4
402.18564	1.2
403.19357	2.8
404.19638	3.2
405.20920	1.7
415.19434	1.3
416.20349	1.4
417.17017	2.4
417.21335	2.0
418.21738	0.7
419.22360	4.5
420.22931	0.9
431.18649	3.2
431.23044	1.8
433.24561	0.9
445.20734	4.0
446.21118	2.3
447.21643	5.5
459.17130	2.9
460.18307	1.0
461.19849	1.8
463.57870	0.7
473.19305	1.4
474.20285	6.4
475.21283	11.6
476.21658	1.2
487.21524	4.1
501.22925	3.9
502.23917	0.8
505.26187	1.7
519.20135	0.9
529.21954	1.3
533.25482	6.5
561.25000	28.2
589.24353	1.0
593.26550	0.8
621.27081	100.0
622.27484	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	620.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.2
55.34125	0.7
55.35307	0.7
63.85314	0.7
67.05506	2.0
69.03437	1.2
69.07072	14.7
70.06593	1.0
70.34274	0.7
72.41865	0.7
79.05499	4.4
81.07066	0.7
85.02919	1.5
91.05482	15.5
97.06535	35.8
104.71160	0.8
105.06994	0.8
109.06506	1.3
115.20045	0.7
119.04948	11.8
135.04478	0.9
136.05188	1.4
137.05984	100.0
143.08626	0.6
145.10178	0.8
149.05939	0.8
163.03938	2.2
186.03873	0.7
189.09145	2.1
197.75668	0.7
215.10733	1.9
233.11736	84.9
250.14404	60.2
309.23450	0.8
492.35431	1.5
540.17102	0.7
620.40002	18.8
620.49542	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
53.34342	0.6
55.01868	1.7
61.06449	0.5
65.03952	0.8
67.05502	1.9
67.94463	0.5
69.03427	1.1
69.07070	14.5
70.06592	0.6
70.75609	1.6
79.05499	4.7
81.03405	0.7
81.07045	1.5
83.04985	0.7
85.02897	1.1
91.05484	18.4
93.07076	0.8
95.06090	0.7
95.08618	0.9
97.06538	32.2
99.04487	0.7
105.07039	1.3
107.08588	1.2
109.06519	1.0
117.06991	0.7
119.04949	13.7
119.08591	1.0
123.91160	0.7
133.10146	1.3
135.04375	0.8
136.05193	2.1
137.05986	100.0
149.05988	1.4
157.10167	0.8
161.13161	0.7
163.03928	1.4
189.09140	0.7
191.06979	0.9
215.10606	1.0
233.11739	88.2
234.12157	1.2
250.14404	55.2
282.74423	0.7
282.87515	0.6
283.20541	0.7
296.59265	0.7
301.21515	0.7
319.22455	0.7
331.00455	0.6
426.19907	0.8
460.54755	0.7
602.29883	0.7
610.75427	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20510	0.4
54.49532	0.3
55.05511	3.1
56.05035	3.2
57.03441	0.3
60.68838	0.3
60.69168	0.4
68.48839	0.3
69.00932	0.4
69.17476	3.6
69.99311	1.5
71.05001	0.5
72.08157	0.7
73.06557	0.4
84.08134	2.6
87.01954	3.3
93.26604	0.3
97.06526	1.0
98.06063	4.6
98.20722	0.7
99.01943	0.5
99.04440	0.8
106.06567	3.1
115.08694	1.0
125.07958	0.3
127.08680	10.6
131.06061	2.9
137.05998	1.1
141.06589	100.0
142.06984	0.5
148.11282	0.4
154.91992	0.4
157.13377	3.0
169.13370	5.7
169.23323	0.3
175.91029	0.4
186.34302	0.4
233.11754	0.8
246.12366	4.8
248.04863	0.4
250.14430	0.8
276.16968	0.4
288.17068	7.0
328.09662	1.1
343.89386	0.3
354.19882	0.4
370.14322	59.4
371.14551	0.9
426.72885	0.3
453.81802	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34233	0.3
53.03943	0.5
55.01875	0.6
59.07635	0.3
60.77491	0.3
62.05562	0.3
67.05498	0.7
68.05054	0.3
69.03428	0.6
79.05485	1.0
81.07046	0.8
87.05927	0.4
91.05488	1.8
93.07044	1.8
94.06567	1.9
95.04997	0.5
95.07336	0.3
95.08596	0.6
96.04519	0.3
96.08136	1.4
105.07035	0.9
106.06568	2.4
107.07339	11.1
107.08536	0.7
108.08135	1.8
110.06042	0.5
119.04966	0.9
119.08648	0.5
120.08107	0.7
120.35348	0.3
121.06509	1.4
122.06057	1.1
122.09672	100.0
123.10037	2.2
124.11234	8.1
131.03470	0.3
135.08070	0.4
136.07579	5.5
136.08575	0.5
138.09145	16.7
147.04382	0.5
148.07539	0.8
148.11174	1.1
150.09146	5.5
151.09891	0.6
152.10730	0.9
159.08377	0.3
164.07086	12.7
176.10678	2.8
177.06633	0.5
178.21654	0.3
180.10210	5.9
188.07062	0.7
191.08078	0.4
202.07178	0.4
202.08809	0.5
203.08142	3.1
204.06577	1.5
204.10248	1.2
206.08194	1.8
213.10248	0.6
217.09737	1.8
230.08173	0.9
231.07761	0.3
235.10817	1.1
245.09250	3.5
248.09308	0.4
253.12003	0.6
257.09402	0.7
258.11282	0.5
259.10803	0.6
261.08694	3.3
263.10321	3.0
268.58136	0.4
271.07321	0.3
275.13852	0.8
287.10236	2.0
289.11884	0.5
291.09787	0.7
301.11838	2.0
305.11218	3.1
307.12888	2.5
313.08511	0.4
361.15308	0.4
392.20181	0.5
394.17407	0.4
398.17044	1.0
407.16071	2.1
410.20795	1.0
412.13919	0.3
412.18674	7.8
422.17017	0.8
428.16400	0.6
428.21832	4.6
436.18759	0.5
438.20035	1.7
440.18069	2.4
450.16571	0.6
454.19974	1.4
456.21216	2.3
464.18082	0.7
468.17542	0.9
470.19275	2.1
482.19354	0.6
555.25934	0.7
573.26971	3.2
575.28650	0.4
591.28143	11.4
601.26184	2.6
619.27283	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34233	0.3
53.03943	0.5
55.01875	0.6
59.07635	0.3
60.77491	0.3
62.05562	0.3
67.05498	0.7
68.05054	0.3
69.03428	0.6
79.05485	1.0
81.07046	0.8
87.05927	0.4
91.05488	1.8
93.07044	1.8
94.06567	1.9
95.04997	0.5
95.07336	0.3
95.08596	0.6
96.04519	0.3
96.08136	1.4
105.07035	0.9
106.06568	2.4
107.07339	11.1
107.08536	0.7
108.08135	1.8
110.06042	0.5
119.04966	0.9
119.08648	0.5
120.08107	0.7
120.35348	0.3
121.06509	1.4
122.06057	1.1
122.09672	100.0
123.10037	2.2
124.11234	8.1
131.03470	0.3
135.08070	0.4
136.07579	5.5
136.08575	0.5
138.09145	16.7
147.04382	0.5
148.07539	0.8
148.11174	1.1
150.09146	5.5
151.09891	0.6
152.10730	0.9
159.08377	0.3
164.07086	12.7
176.10678	2.8
177.06633	0.5
178.21654	0.3
180.10210	5.9
188.07062	0.7
191.08078	0.4
202.07178	0.4
202.08809	0.5
203.08142	3.1
204.06577	1.5
204.10248	1.2
206.08194	1.8
213.10248	0.6
217.09737	1.8
230.08173	0.9
231.07761	0.3
235.10817	1.1
245.09250	3.5
248.09308	0.4
253.12003	0.6
257.09402	0.7
258.11282	0.5
259.10803	0.6
261.08694	3.3
263.10321	3.0
268.58136	0.4
271.07321	0.3
275.13852	0.8
287.10236	2.0
289.11884	0.5
291.09787	0.7
301.11838	2.0
305.11218	3.1
307.12888	2.5
313.08511	0.4
361.15308	0.4
392.20181	0.5
394.17407	0.4
398.17044	1.0
407.16071	2.1
410.20795	1.0
412.13919	0.3
412.18674	7.8
422.17017	0.8
428.16400	0.6
428.21832	4.6
436.18759	0.5
438.20035	1.7
440.18069	2.4
450.16571	0.6
454.19974	1.4
456.21216	2.3
464.18082	0.7
468.17542	0.9
470.19275	2.1
482.19354	0.6
555.25934	0.7
573.26971	3.2
575.28650	0.4
591.28143	11.4
601.26184	2.6
619.27283	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33124	0.3
65.09179	0.3
67.05505	0.4
69.02146	0.4
70.02133	1.7
76.59790	0.4
79.05494	1.2
80.05008	0.5
91.05493	1.0
93.07020	0.4
94.06578	2.5
96.04477	0.5
96.08186	0.4
98.06086	0.5
105.07060	1.2
106.06556	2.7
107.07346	16.1
108.08116	1.0
121.08932	0.4
122.06076	3.2
122.09676	100.0
123.10049	0.5
124.11253	1.1
135.06779	0.7
136.07590	5.8
138.09171	0.4
140.07031	0.9
148.11198	1.2
149.07162	0.5
150.09157	15.8
153.10182	0.5
154.41902	0.3
163.08604	0.4
164.07086	7.4
174.09109	0.7
176.10709	2.3
177.06613	2.5
178.08757	0.4
181.09734	7.2
181.11369	0.4
188.07085	1.4
191.08182	5.8
202.07153	0.5
202.08679	4.7
203.08160	1.9
204.06587	0.9
204.10243	1.2
205.09790	0.5
216.10329	0.4
217.09799	1.4
219.11404	0.5
220.09705	0.4
230.08167	2.9
233.09161	0.3
235.10820	1.0
244.09691	0.9
245.09198	1.3
247.10741	0.5
248.09192	1.9
259.10864	0.5
261.08722	7.8
261.11917	0.6
261.12421	0.5
263.10233	1.9
271.10645	0.4
272.09152	1.7
287.10300	2.4
289.11954	1.0
290.10364	0.7
305.11270	1.8
307.12897	4.3
313.08142	0.4
319.13040	0.4
333.10800	1.0
340.13022	0.7
352.16516	0.5
380.16141	0.5
390.18298	0.9
398.17093	5.1
410.20798	1.1
418.17606	0.8
424.18915	0.7
426.16714	0.5
428.21890	3.7
436.18863	1.6
438.20456	2.7
452.18591	0.9
454.19641	2.6
456.21271	3.1
464.18228	3.7
470.19296	9.5
470.25714	0.7
482.19556	1.0
527.26379	1.0
555.25989	1.4
573.27130	2.4
591.28137	2.8
601.26654	5.0
619.27393	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05518	0.6
70.74717	0.5
70.75053	1.0
72.07906	0.4
79.05495	1.0
80.05013	0.8
81.07055	0.8
93.04581	0.5
94.06568	2.7
97.44395	0.5
98.06030	0.5
105.07020	1.1
105.77206	0.4
106.06574	2.7
106.07183	0.5
107.07344	13.1
108.08121	0.8
119.04946	0.4
122.06069	3.4
122.09669	100.0
123.10020	1.0
124.11246	1.3
134.09660	0.5
135.06862	0.8
136.07570	4.6
140.07076	1.0
148.11224	1.9
150.09151	13.0
164.07054	6.7
176.10655	2.5
177.06628	1.6
181.09740	7.4
182.07985	0.4
187.08795	0.5
188.07138	1.3
189.10222	0.8
191.08151	5.2
202.07146	1.1
202.08911	2.4
203.08128	1.5
204.10173	3.3
216.10373	0.6
217.09785	2.1
219.11237	0.7
220.09776	0.6
230.08119	3.1
231.11391	0.5
233.09126	0.8
235.10757	0.7
237.12418	0.7
243.11404	0.7
244.09680	0.5
245.09186	1.6
247.10904	0.5
248.09177	2.1
257.09326	0.6
261.08719	22.8
263.10342	1.5
265.11685	0.5
272.09247	1.9
279.13324	0.7
287.10373	2.7
289.11874	0.6
290.10153	0.8
291.09842	0.5
305.11389	2.0
307.12759	4.1
313.08295	0.7
332.17130	0.5
333.10794	1.2
340.12823	0.7
390.18222	1.6
398.17105	8.8
410.20981	1.0
418.17911	1.9
424.18625	0.7
428.21759	3.1
436.18756	3.5
438.20273	2.6
439.12552	0.6
452.18100	1.6
454.19852	1.7
456.21280	2.8
464.18048	6.7
470.19235	12.4
482.19217	1.3
527.26154	1.0
555.26050	2.9
573.27075	3.3
591.27972	3.4
601.26550	8.1
619.27631	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	619.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
62.41618	0.4
69.61813	2.3
76.18972	0.4
79.05463	0.4
91.05476	1.3
93.29693	0.4
96.08134	0.6
106.06537	0.6
107.07327	1.6
108.08134	0.9
113.23471	0.4
122.06082	0.8
122.09673	12.1
124.11218	2.2
131.08594	1.1
134.09573	0.5
136.07518	0.7
146.61575	0.4
148.07547	0.5
148.11206	4.0
150.09190	1.0
152.10738	0.8
158.09756	0.5
159.07993	0.6
164.07071	3.5
175.08737	0.5
176.10701	1.8
183.09225	0.6
184.06235	0.4
184.09853	0.4
186.09132	1.6
187.08690	0.7
189.10234	0.8
198.07861	0.4
200.09462	0.9
201.06631	2.7
202.07368	11.7
203.08098	1.3
204.10223	15.7
211.08752	0.6
212.09419	0.9
213.10274	1.5
215.08234	0.9
217.09727	12.7
226.07442	0.7
229.09534	0.5
233.09207	6.1
234.10004	0.5
235.10786	5.7
239.08154	1.2
241.09689	1.4
243.11456	0.6
245.09262	1.1
248.04663	0.5
253.22623	0.4
257.09219	17.0
259.10815	2.2
261.08716	100.0
262.08881	0.9
263.10199	1.3
273.12463	0.6
285.08731	20.1
285.11996	1.0
287.10233	3.7
299.10437	0.6
302.13004	1.4
305.08224	0.5
305.11230	2.5
307.12839	0.8
313.08173	13.4
331.09265	15.6
359.16281	1.0
360.13483	1.1
361.14194	2.4
362.15292	0.7
374.15018	0.6
375.15662	0.5
388.13004	0.8
390.18219	5.8
392.19592	2.5
398.17105	27.0
403.15408	0.5
410.20236	0.6
418.17621	9.0
420.19092	0.9
428.21930	2.1
436.18555	3.9
438.20291	3.0
446.16815	0.6
451.51563	0.5
454.19638	0.8
456.21381	2.8
464.18207	27.8
465.17993	0.6
468.17709	12.6
482.19232	1.1
573.27142	6.5
591.27917	1.2
601.26569	33.3
602.26581	1.1
619.27466	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
58.94652	0.3
60.02177	0.5
62.30025	0.4
67.05505	0.5
69.99937	1.8
77.53304	0.4
79.05490	0.5
82.33747	0.4
83.72570	0.4
91.05441	0.6
94.06551	0.6
96.08105	0.8
107.07340	1.2
107.08598	0.6
108.08165	0.6
110.35236	0.4
120.08076	0.4
121.10064	0.5
122.06030	0.7
122.09666	5.5
124.11226	2.6
131.08534	0.8
132.06163	0.5
132.08098	0.5
133.08853	0.7
136.07599	0.7
148.11224	4.2
150.09111	0.8
152.10710	0.6
158.09692	0.7
160.07564	0.5
164.07074	0.6
174.07994	0.5
176.10703	2.6
183.09119	0.5
184.10014	0.5
185.10788	0.7
186.09132	0.9
187.08591	0.8
189.10277	1.1
197.07158	0.5
198.07938	0.7
200.09462	1.8
201.06610	2.4
202.07373	10.5
204.10214	15.5
211.08667	1.4
212.09422	1.8
213.10280	2.5
215.08159	0.7
217.07771	0.7
217.09752	9.2
226.07457	0.5
233.09259	5.0
235.10722	2.6
239.08176	1.2
241.09659	1.4
243.11307	0.8
257.09229	19.9
259.10745	2.5
261.08722	100.0
262.09024	0.7
285.08713	26.7
287.10251	4.2
302.12967	1.0
305.11194	0.8
313.08163	20.6
331.09253	26.0
333.10660	0.5
347.17685	0.4
348.30887	0.4
361.14063	1.0
372.92697	0.4
374.15002	0.6
390.18143	3.5
392.19659	1.1
398.17136	22.6
418.17715	5.5
428.21716	0.6
436.18863	2.3
454.19699	1.0
456.21289	1.6
460.07523	0.5
464.18237	21.6
468.17703	21.1
482.19461	2.0
573.27222	2.2
591.27936	0.6
601.26605	27.0
619.27576	2.2
645.08356	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	1.9
51.48147	1.7
53.03947	7.3
55.01872	3.7
55.05271	2.7
55.05516	42.9
57.07067	9.0
59.04987	3.7
65.03941	3.9
67.05513	32.0
69.03437	15.2
69.07072	16.3
69.23809	4.3
69.24215	13.4
71.04988	7.4
71.53055	2.1
72.08968	1.7
72.76009	1.6
79.05498	37.2
80.06281	2.4
80.37182	1.7
81.07063	51.0
83.04984	19.1
83.08624	67.2
85.02907	2.2
85.06561	5.6
87.04467	4.1
89.06040	10.9
91.05486	63.9
93.07050	66.0
95.04967	30.5
95.08613	29.1
97.06543	24.8
97.10188	3.0
98.21494	3.2
99.04477	3.8
99.08057	2.4
103.05492	5.2
104.06243	2.2
105.04495	3.6
105.07036	100.0
107.04967	5.8
107.08602	66.2
109.06516	14.0
109.10173	24.9
111.08071	7.2
113.05991	3.1
113.09648	7.5
115.05458	6.5
116.06278	2.5
117.07030	18.6
119.04895	2.8
119.08591	79.9
120.09341	2.3
121.06501	14.1
121.10154	56.5
123.08076	17.9
123.11729	7.1
123.20309	2.0
125.09649	17.5
128.06207	12.4
129.07021	25.4
130.07793	8.2
131.08574	47.4
132.09319	5.9
133.06517	3.9
133.07506	1.9
133.08589	4.0
133.10143	50.1
134.10912	4.1
135.08049	13.4
135.11697	9.8
137.09612	7.7
139.11192	15.5
141.06985	10.7
142.06795	2.1
142.07799	27.0
143.08575	48.3
144.09393	12.1
145.06476	6.6
145.10132	73.6
146.10886	4.6
147.08086	10.1
147.11699	23.6
149.09624	14.7
149.13173	2.7
151.07536	4.8
151.11212	2.6
153.06973	4.1
154.07802	3.5
155.08606	20.9
155.10712	12.7
156.09369	22.5
157.10143	51.1
158.10876	8.3
159.08066	16.3
159.11710	35.6
160.08868	16.3
161.09663	14.1
161.13264	8.2
163.11217	5.6
165.06999	6.3
165.09093	3.3
165.12738	3.4
166.07759	3.3
167.08549	13.5
167.10681	15.1
168.09303	6.3
169.10132	31.7
169.11743	2.3
169.12154	2.5
170.10898	8.5
171.08078	4.0
171.10281	4.5
171.11691	37.3
172.12447	3.4
173.09671	11.8
173.13275	14.8
175.11168	11.2
175.14885	3.7
177.12668	3.9
179.08556	11.5
179.10394	2.5
179.14374	6.7
180.09308	7.1
181.10175	18.3
181.12239	24.0
182.10909	11.4
183.11696	29.3
183.13362	2.7
184.07339	2.6
184.12560	3.8
185.09673	5.4
185.13258	21.1
186.13997	3.2
187.11197	7.1
187.14830	8.8
188.34218	2.2
189.12796	7.0
190.13579	3.9
191.08687	2.2
191.14323	9.9
192.09360	4.5
193.10164	13.3
193.11844	2.9
194.10934	11.0
195.11751	25.9
195.13568	3.6
196.12474	10.7
197.09590	2.5
197.13284	33.4
198.13994	4.1
199.11162	7.4
199.14832	14.4
200.15321	2.1
201.12810	2.8
201.16425	3.3
203.08720	2.3
203.14322	5.9
205.10258	3.8
206.10860	5.3
207.11676	17.5
207.13797	8.1
208.12468	8.3
208.14406	3.2
209.09558	2.5
209.13283	25.5
209.15201	3.7
210.14014	3.3
211.11165	4.9
211.14819	23.1
212.15657	3.0
213.12848	10.9
213.16344	9.8
215.08754	2.5
215.14317	20.7
217.15977	3.6
218.10968	2.1
219.11737	4.6
219.13756	4.0
220.12471	6.8
221.13255	15.6
221.15419	22.9
222.13948	3.9
223.14850	15.9
224.15594	2.4
225.12752	5.0
225.14845	17.2
225.16737	3.9
227.14330	8.2
227.17712	2.3
229.15994	2.7
231.11734	5.9
231.17393	4.1
232.12442	4.2
232.14648	2.4
233.13261	8.2
233.15375	44.8
234.14088	2.9
235.14783	13.0
237.16541	12.9
238.71150	2.1
239.14334	4.7
239.18042	2.8
241.15898	5.3
245.13184	6.2
246.13989	4.0
246.16202	2.8
247.14830	5.7
247.16965	5.8
248.15466	2.3
249.16501	9.6
251.17943	6.3
253.15811	3.3
253.19611	2.4
255.17422	32.5
257.13245	3.1
259.14795	5.3
260.15512	4.7
261.16357	8.3
263.17960	9.4
264.18558	2.1
265.15845	2.8
265.19464	6.4
267.17346	4.8
268.18329	4.3
269.19034	5.9
270.19785	7.1
271.17255	3.3
271.20462	3.9
273.16064	3.7
273.18509	6.4
275.17966	6.2
276.18878	2.4
279.17432	3.2
281.19049	7.3
282.19766	4.2
283.20560	4.2
285.18619	4.9
286.19321	6.4
287.20184	4.2
289.19519	3.5
291.20728	2.2
295.20590	4.9
297.18509	3.6
298.19235	2.9
299.20087	6.0
300.20715	2.5
307.20651	4.8
311.20117	3.8
317.22769	2.4
319.23950	2.3
331.20526	2.1
331.24161	2.8
337.25311	7.6
345.22089	3.3
347.23627	4.6
349.25275	4.8
359.23972	3.1
360.24225	2.4
361.25256	2.5
365.24878	9.2
367.26328	7.7
383.25894	11.8
399.26706	3.5
414.29071	4.3
429.31616	2.4
438.30472	2.0
457.30957	3.8
490.34222	2.6
600.41852	4.9
618.42517	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	618.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02392	1.9
53.03951	10.3
55.01866	4.8
55.05514	49.9
57.07065	7.5
59.04994	2.9
65.03925	4.3
67.05510	33.8
69.03427	10.8
69.07073	17.2
70.74346	5.7
71.04987	6.4
79.05494	39.1
80.06267	2.9
81.07060	53.0
83.04980	20.6
83.08620	64.9
85.06528	6.7
87.04478	4.2
91.05489	57.4
93.07048	62.1
95.04971	30.2
95.08616	32.8
97.06532	24.7
99.04465	10.4
103.05464	7.6
105.07035	100.0
107.04954	7.2
107.08593	70.1
109.06527	15.1
109.10155	26.9
110.18995	1.8
111.08082	7.6
113.09625	8.2
115.05449	8.5
116.06236	4.5
117.07011	27.7
119.04946	3.0
119.06065	2.3
119.08586	86.2
120.09441	2.8
121.06527	16.0
121.10149	57.5
122.07292	2.1
123.08073	19.3
123.11708	8.1
125.09641	21.0
128.06236	17.0
129.06998	24.1
130.07790	10.7
131.08574	43.0
132.09338	7.4
133.06483	3.6
133.10138	49.4
134.10944	3.6
135.08047	12.5
135.11739	11.2
137.09615	6.7
139.11176	17.8
141.06990	12.7
142.07784	27.4
143.07516	3.2
143.08568	53.6
144.09412	9.1
145.06471	6.6
145.10130	78.6
147.08081	15.7
147.11670	19.6
148.08900	2.2
149.09624	14.3
149.13248	3.0
151.11197	3.0
153.06964	5.2
154.07768	5.0
155.08583	22.0
155.10632	15.7
156.09337	24.4
157.10138	62.7
158.10944	9.3
159.08054	14.0
159.11699	34.8
160.08842	11.8
161.09671	13.7
161.13261	7.5
163.11194	5.5
165.06993	7.8
165.09146	2.3
165.12779	2.3
166.07803	8.2
167.08604	13.0
167.10681	16.8
167.14342	3.4
168.09354	9.6
168.11351	2.3
169.10147	34.6
169.13602	2.1
170.10930	9.6
171.08035	4.6
171.10266	3.7
171.11682	34.6
172.12396	4.2
173.09613	14.6
173.13281	16.4
174.10489	2.2
175.11189	13.9
175.14815	3.0
177.12711	3.6
178.07739	2.4
179.08560	14.6
179.14284	5.4
180.09315	7.4
181.10118	26.2
181.12222	24.4
182.10927	16.7
183.08128	2.0
183.11714	28.7
183.13364	2.7
183.13914	2.1
184.12448	5.9
185.09663	5.7
185.13271	23.5
186.14052	5.0
187.11215	6.8
187.14822	8.2
189.12752	7.4
190.13564	2.8
191.14380	11.4
192.09322	5.3
193.10191	16.2
194.10947	11.2
195.11731	25.7
195.13556	3.8
196.12520	10.8
197.09613	5.0
197.13249	39.5
198.14017	4.5
199.11166	7.6
199.14803	14.2
200.15334	2.0
201.12732	3.9
201.16411	3.7
203.14348	9.3
205.10033	5.1
206.10933	7.4
207.11699	22.0
207.13762	4.4
208.12433	9.2
208.14438	3.9
209.13312	23.4
209.15346	5.3
210.13988	5.1
211.11179	2.8
211.14877	18.7
212.15543	4.2
213.12729	10.0
213.16377	7.7
215.14330	20.1
217.10124	2.1
217.15845	3.7
218.10840	3.8
218.16652	4.9
219.11644	6.6
219.13594	2.8
220.12444	6.8
220.14622	2.8
221.13240	16.8
221.15382	18.8
222.14000	5.5
223.11296	2.9
223.14799	21.0
224.15471	2.6
225.12704	6.6
225.14850	12.8
225.16705	3.6
227.14285	5.4
229.15997	4.3
231.11630	3.8
231.17459	3.5
232.12431	5.5
233.13217	8.5
233.15338	45.4
234.14098	4.3
234.16138	2.7
235.14822	14.1
237.16426	9.8
238.17204	2.3
239.14293	3.5
239.17940	4.1
241.15825	3.9
243.11700	2.4
244.12518	2.0
245.13351	5.0
245.15514	2.4
246.13971	4.6
247.14767	8.4
247.16988	5.5
248.15736	2.8
249.16382	10.3
251.17952	6.3
253.15889	3.7
253.19394	2.6
255.17442	40.5
257.19046	4.3
259.14725	5.9
259.17154	2.4
261.16367	9.9
263.17966	9.2
265.19437	5.7
267.17404	3.9
269.19049	7.6
270.19672	8.7
271.20609	3.3
273.16055	3.3
273.18497	5.9
275.17902	6.7
276.18604	2.9
277.19537	3.9
279.17493	3.8
281.18964	6.5
282.19724	5.1
283.20541	6.7
284.21259	2.9
285.18756	2.7
286.19400	5.0
287.20169	5.1
289.19568	6.7
294.19824	3.6
295.20563	3.7
296.21271	3.3
297.18539	3.1
297.21945	2.9
299.20023	6.2
300.20779	3.0
301.19302	2.8
303.21014	2.5
307.20407	2.9
311.20108	4.2
317.22556	2.3
319.20547	2.2
322.22757	3.0
331.23807	2.9
335.23471	2.5
337.25281	6.0
345.21933	3.8
347.23654	5.3
349.25320	5.4
353.24942	2.8
359.23730	2.9
360.24557	3.4
365.24673	8.2
367.26227	4.5
373.25415	2.7
383.25848	12.4
399.26630	3.2
414.29239	4.0
429.31461	3.0
439.29797	2.5
457.31320	4.6
520.35791	2.6
542.38354	2.8
582.40515	2.8
592.69568	2.2
600.41266	3.5
612.32141	2.1
618.42828	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	618.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.2
54.14401	2.4
55.01887	5.7
55.05273	3.9
55.05513	46.4
57.07076	19.3
59.04995	5.5
63.10941	2.2
65.03951	3.9
67.05502	32.6
69.03423	11.8
69.07068	16.4
70.99250	6.9
71.04984	7.9
71.08625	10.5
73.92318	2.6
79.05495	36.3
81.07062	55.4
83.04980	18.5
83.08157	3.9
83.08618	73.1
85.06541	8.7
85.10182	5.1
85.20529	2.5
87.04464	9.3
89.06038	28.9
90.06351	4.0
91.05476	53.2
93.07045	74.4
93.07634	4.2
95.04977	33.3
95.08600	35.4
97.06533	22.1
99.04430	6.7
103.05466	5.3
105.06319	4.9
105.07027	100.0
107.04927	7.0
107.08589	74.0
108.09386	3.2
109.06527	19.5
109.10155	27.9
111.08089	9.2
113.06039	3.0
113.09660	13.1
115.05448	10.1
115.13123	2.6
117.07022	24.7
119.04951	3.4
119.08582	92.5
120.09342	4.0
121.06489	20.2
121.10133	48.8
123.08059	33.2
123.11733	5.6
125.06014	5.2
125.09618	19.3
128.06218	11.8
129.07008	26.5
130.07790	6.1
131.08565	54.4
132.09326	4.6
133.06511	6.0
133.08623	14.5
133.10123	48.7
134.10886	3.7
135.08055	23.3
135.11658	13.2
137.09642	12.2
139.11195	15.2
141.06975	11.1
142.07779	26.7
143.08563	47.1
144.09328	17.9
145.06482	8.8
145.10120	76.4
146.10783	4.7
147.08043	27.0
147.11653	21.4
149.09630	17.1
151.07549	10.6
151.11234	3.3
153.06960	5.0
153.09129	3.1
155.08572	22.3
155.10587	14.7
155.52892	2.6
156.09351	20.7
157.10127	70.0
158.10817	11.0
159.08047	16.1
159.11681	39.8
160.08838	16.8
160.12390	2.6
161.09610	16.3
161.13260	8.6
163.11168	16.6
164.94543	2.9
165.07101	5.2
165.09120	26.9
166.07690	4.2
167.08540	11.4
167.10670	11.0
168.09360	7.2
169.10117	36.6
170.10861	8.5
171.10260	5.6
171.11679	37.8
172.12427	9.4
173.09639	13.2
173.13274	16.1
174.10367	3.7
175.11200	18.2
175.14777	4.2
177.09062	3.2
177.11243	3.8
177.12778	3.9
179.08566	10.0
179.10626	3.2
179.14317	4.8
180.09338	9.7
181.10103	21.2
181.12212	29.1
182.10930	9.5
183.11688	33.0
183.13400	4.4
183.13826	4.2
184.12271	3.5
185.09567	6.1
185.13251	18.0
186.14008	4.5
187.11214	10.7
187.14821	9.8
189.12750	10.7
190.13475	10.6
191.14307	11.6
192.09422	4.1
193.10098	10.5
193.12234	7.6
194.10918	6.4
195.11714	25.4
195.13582	4.6
196.12489	7.2
197.09624	5.4
197.13237	31.8
198.13937	3.7
199.11168	5.9
199.14812	12.5
201.12762	7.2
203.14317	20.3
206.10878	4.9
207.11659	13.8
207.13815	10.1
208.12517	8.1
208.14589	11.4
209.11594	3.2
209.13242	21.4
209.15190	5.5
210.14046	5.2
211.11227	4.1
211.14832	18.4
213.12756	8.4
213.16321	5.2
215.14308	11.2
219.11768	4.9
219.13663	5.3
220.12448	4.2
220.14557	3.8
221.13216	15.2
221.15323	70.8
222.13982	3.9
223.14851	13.5
225.12732	4.8
225.14543	22.6
225.16524	7.7
227.14238	6.4
231.11597	3.6
231.13792	6.1
232.12366	3.4
233.13179	7.2
233.15361	29.9
234.16069	16.6
235.14758	9.3
237.12727	6.3
237.16409	10.7
239.17876	3.6
241.15891	5.4
245.13232	4.8
246.16223	3.7
247.14726	5.2
247.16969	11.1
247.20392	3.1
248.15482	3.7
248.20914	3.1
249.16441	12.4
251.14284	3.9
251.17995	4.3
255.17436	16.3
257.19034	3.4
259.17163	3.3
260.15399	4.6
261.16275	3.6
261.18600	3.6
263.18094	5.2
269.19025	4.1
270.19742	3.2
271.16992	6.4
273.18655	5.2
274.19156	3.1
275.17883	4.1
281.19003	3.7
283.20496	3.7
285.18674	4.9
286.19241	6.2
287.17056	2.7
287.20102	43.2
292.23624	3.0
297.18546	3.2
299.20053	14.8
300.20905	3.5
303.20111	2.6
309.22247	3.0
311.19952	4.3
312.20831	4.0
313.21533	3.8
325.21741	12.0
329.21228	5.7
337.21527	8.4
339.23227	4.3
347.23575	4.7
352.23935	68.8
353.24667	3.9
365.24823	14.0
367.26288	6.1
383.25793	6.6
395.25925	5.9
399.26636	2.9
472.31741	5.2
511.34280	2.8
520.34918	4.5
525.35486	8.7
538.36536	94.5
539.37201	2.9
583.77478	2.9
600.41052	7.6
618.42566	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	618.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08649	1.7
51.02395	1.7
53.03935	2.2
55.01871	2.4
55.05510	20.7
57.03444	2.5
57.07074	8.4
57.31149	1.3
59.04992	3.7
61.84433	1.5
65.03943	1.7
67.05502	17.8
69.03408	4.3
69.07071	8.6
69.80133	3.2
69.80524	3.3
71.04987	3.7
73.02884	2.2
79.05491	19.8
81.03388	2.0
81.07053	23.2
83.04967	5.0
83.08616	26.4
85.06528	5.7
87.04469	13.5
89.06020	9.4
91.05479	26.7
92.05798	1.9
93.06501	2.4
93.07045	35.7
95.04967	16.4
95.08173	1.3
95.08609	15.4
97.06514	13.2
99.04443	3.7
103.05445	3.7
105.04485	2.4
105.07028	100.0
106.07307	9.9
107.04987	2.7
107.08599	27.9
109.06529	11.2
109.10168	9.8
111.08078	3.6
113.09635	3.4
115.05453	4.6
116.06287	1.8
117.06989	10.1
117.96949	1.7
119.08582	51.1
121.06489	10.8
121.10138	18.2
123.08068	13.6
123.11708	3.1
125.06023	3.1
125.09628	6.5
128.06213	6.3
129.06996	13.6
130.07787	3.5
131.08583	30.4
132.83380	1.7
133.06442	2.5
133.08591	3.1
133.10124	21.9
135.08034	12.3
135.11668	6.4
137.05977	1.8
137.09599	7.4
139.11145	6.3
141.06985	4.0
142.07771	10.1
143.08554	22.6
144.09341	11.6
145.06445	4.4
145.09068	2.7
145.10127	42.7
147.08037	20.9
147.11665	7.4
149.09587	10.8
151.07500	9.5
151.11192	2.5
153.09041	2.1
155.08620	8.6
155.10669	3.6
156.09322	9.7
157.10121	34.1
158.10869	5.7
159.08041	6.7
159.11714	19.7
160.08827	8.6
160.12283	1.8
161.09584	8.9
161.13242	4.9
163.11162	11.8
165.07022	2.3
165.09122	26.3
167.08496	4.9
168.09337	3.6
169.10109	14.2
170.10912	7.1
170.82832	1.7
171.10204	3.2
171.11673	18.1
172.12427	6.3
173.09560	6.6
173.13235	9.6
175.11205	12.5
175.14767	1.7
176.12166	1.9
177.09251	2.0
177.11244	1.9
177.12756	1.7
179.08502	2.4
179.10686	1.6
179.14345	2.7
180.09338	3.7
181.10127	7.7
181.12231	15.0
182.10941	4.6
183.11690	11.9
183.13162	1.9
184.12419	3.0
185.09673	1.9
185.13286	10.6
187.11211	5.7
187.14783	3.7
189.12738	5.7
190.13518	8.1
191.14273	3.1
193.10132	4.5
193.12198	7.1
194.10884	5.0
195.11700	10.8
195.13655	2.3
197.13280	9.0
199.11156	5.6
199.14870	3.3
201.12732	4.3
203.14291	11.8
207.11694	5.0
207.13814	7.3
208.12726	3.0
208.14546	11.4
209.13222	10.7
209.15143	3.4
210.13861	2.9
211.11139	2.5
211.14842	5.8
213.12767	5.5
217.10095	1.9
219.13869	4.3
220.12514	2.3
221.13257	3.6
221.15346	55.9
222.15846	2.6
223.14854	6.0
224.15530	3.3
225.12773	3.4
225.14612	9.3
227.14304	2.1
227.17859	2.2
231.13820	4.6
233.13191	3.0
233.15373	10.4
234.14027	2.8
234.16118	14.2
235.14847	2.3
237.12723	4.0
237.16412	4.2
239.17834	2.0
246.16106	2.0
247.14743	2.0
247.17030	7.8
248.17531	1.7
249.16330	2.2
251.14229	2.5
251.18129	2.3
253.15891	3.9
267.17383	1.8
269.15375	1.9
269.18915	2.5
271.16913	2.6
273.18561	5.1
274.19254	2.6
276.75513	1.7
285.18500	2.6
286.19287	6.1
287.20047	41.0
288.20618	2.1
297.18677	2.0
299.20041	7.8
300.20950	2.7
303.19601	2.9
311.19919	3.1
312.20715	4.5
313.21622	5.0
319.20663	1.7
325.21637	11.4
329.21149	3.8
337.21646	9.7
339.23132	7.2
351.23389	1.9
352.23959	74.5
353.24423	2.6
357.19525	1.7
363.23343	1.9
365.24738	11.8
367.26056	3.0
391.26422	2.2
395.25580	6.5
472.31613	5.8
520.34607	2.2
525.35742	10.6
526.36176	4.4
538.36536	85.6
600.40845	3.9
618.42487	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	618.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.8
55.01863	4.2
55.05512	43.6
57.07074	9.5
59.04993	7.0
65.03931	3.3
67.05508	34.1
69.03425	9.6
69.06779	2.4
69.07077	21.0
71.04983	6.8
71.49201	5.8
75.88911	2.2
77.03919	3.0
79.05497	37.0
81.07060	51.4
83.04997	16.5
83.08153	4.1
83.08624	58.8
85.02882	4.5
85.06522	5.7
87.04469	4.5
91.05478	52.1
92.34356	2.2
93.07045	61.6
94.07372	4.0
95.04976	27.0
95.08607	35.7
97.06527	27.1
97.10172	2.4
99.04464	5.0
99.08075	2.7
103.05463	6.2
105.04504	3.3
105.07038	100.0
106.07381	4.8
107.04958	7.8
107.08597	59.0
109.06537	19.9
109.10155	29.1
111.08084	10.6
113.06013	3.9
113.09632	9.0
115.05509	3.7
117.07023	23.7
119.06004	2.7
119.08585	81.5
120.09367	2.6
121.06506	11.4
121.10149	53.4
122.10497	3.9
123.08055	22.5
123.11717	9.6
125.09634	19.1
126.18375	2.6
128.06210	13.8
129.07031	17.5
130.07762	9.8
131.08577	45.9
132.09314	7.0
133.06551	3.0
133.10124	47.4
134.10463	3.6
135.08060	9.7
135.11694	8.9
137.09618	8.5
139.11235	11.8
141.06992	8.8
141.09145	2.3
142.07808	25.0
143.08562	43.6
144.09390	13.7
145.06485	5.0
145.10135	64.1
146.07220	3.1
146.10617	3.4
147.08067	10.6
147.11708	20.8
149.09637	14.3
151.07556	7.6
151.11188	4.9
153.07053	4.8
154.07794	7.2
155.08589	21.8
155.10663	12.2
156.09355	17.2
157.10133	56.5
158.10864	9.2
159.08046	16.0
159.11681	30.8
160.08850	11.4
161.09641	12.0
161.13206	6.6
163.11179	9.9
165.06993	9.6
165.09123	9.6
165.12825	2.6
166.07718	3.9
167.08565	9.4
167.10670	26.2
168.09355	4.8
168.11090	2.6
169.10123	29.3
170.10890	6.9
171.11705	39.6
172.12369	4.3
173.09619	9.5
173.13297	18.7
175.11169	12.5
175.14751	5.0
177.12782	5.2
179.08594	9.6
179.14265	6.8
180.09270	5.2
181.10139	22.0
181.12195	22.2
182.10933	13.8
183.11691	25.2
183.13368	3.2
184.12387	6.2
185.09605	5.4
185.13283	18.5
186.14011	5.5
187.11221	8.0
187.14873	8.1
189.12756	7.9
190.13490	2.8
191.14322	7.3
191.22655	2.5
192.09399	5.5
193.10042	13.6
194.10864	10.4
194.66962	2.8
195.11687	20.2
196.12486	12.0
197.13239	33.3
198.13895	3.6
199.11238	7.9
199.14841	9.0
200.15439	2.9
201.12744	5.5
203.14301	8.1
204.14728	3.6
205.10103	3.7
206.10854	7.9
207.11678	16.4
207.13742	7.0
208.12450	9.3
208.14487	4.6
209.13303	21.4
209.15196	4.7
210.13896	5.5
211.11238	2.8
211.14859	15.5
213.12807	7.1
213.16318	6.5
215.14299	15.9
217.15895	4.1
219.11700	6.1
220.12466	7.3
221.13231	12.2
221.15404	29.3
222.13930	3.9
222.15848	6.2
223.14832	13.4
225.12775	4.9
225.14850	9.5
225.16629	4.8
227.14293	5.7
231.17387	2.8
233.13263	5.3
233.15338	37.7
234.16063	2.8
235.14787	7.6
237.16554	5.2
239.17885	4.8
241.15700	3.2
245.13269	4.0
246.13901	3.8
246.16202	4.5
247.14722	6.4
247.16960	5.9
249.16389	7.9
251.17955	6.9
252.18289	2.6
253.15871	2.9
253.19434	3.4
255.17485	22.6
257.19009	3.4
259.14651	3.8
259.17102	3.0
261.16330	7.5
263.17978	5.5
265.19623	8.1
267.17505	4.5
269.19128	3.5
270.19705	7.0
273.18707	4.1
275.17944	4.8
281.19080	3.7
282.19775	4.2
285.18808	4.3
286.19186	8.7
287.20044	4.9
295.20551	3.4
299.20084	6.7
300.20688	3.4
303.21060	3.1
309.18689	3.2
309.21921	4.1
337.25235	5.4
345.21960	3.9
347.23645	5.3
349.25327	4.1
351.22845	2.5
365.24841	5.0
367.26196	5.9
373.25171	3.3
383.25690	6.9
391.25955	2.6
567.37720	3.1
582.40326	4.6
600.41241	6.9
618.42749	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	618.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.1
55.01875	2.6
55.05511	22.2
57.07076	9.8
59.04998	5.1
67.05497	14.6
69.03431	7.4
69.07066	5.0
69.84386	4.2
69.84779	3.1
71.04990	3.0
73.02914	1.9
78.24651	1.7
79.05494	20.1
79.93382	1.5
80.06293	2.0
81.07059	29.9
83.04990	5.0
83.08626	28.6
85.06541	3.7
87.04485	16.8
89.06038	10.4
91.05486	25.4
93.07048	28.9
95.04974	15.2
95.08609	19.4
97.06526	9.3
99.04480	1.7
103.05453	4.2
105.04534	1.8
105.07035	100.0
106.07358	10.5
106.25640	1.4
107.04933	3.2
107.08597	23.8
109.06518	10.3
109.10150	8.0
111.08091	4.6
111.29961	1.6
113.09650	2.5
115.05471	1.7
117.07031	7.6
118.36208	1.8
119.08587	47.7
120.09393	3.2
121.06506	6.1
121.10147	18.2
123.08063	15.7
123.11681	3.0
125.05997	1.9
125.09633	6.9
126.24551	1.6
128.06227	4.5
129.07031	11.7
130.07854	3.5
131.08569	28.8
133.06549	1.9
133.08620	4.1
133.10129	23.7
135.08038	10.8
135.11702	7.4
137.05969	1.9
137.09602	6.9
139.11205	4.7
141.07021	2.9
142.07785	11.6
143.08563	22.6
144.09340	8.6
145.06473	3.6
145.10127	34.1
147.08043	15.0
147.11642	9.0
149.09666	10.5
149.13437	1.9
151.07526	9.4
151.11177	2.6
153.06981	1.9
153.09099	2.1
154.07806	2.3
155.08543	8.5
155.10710	2.9
156.09378	7.4
157.10133	34.8
158.10863	5.7
159.08089	5.4
159.11705	18.3
159.99852	1.7
160.08832	7.8
161.09628	7.5
161.13255	4.3
163.11154	7.8
165.09108	24.0
167.08540	2.8
168.09329	3.0
169.10103	12.8
170.10899	5.7
171.10245	3.6
171.11667	21.2
172.12488	5.6
173.09634	5.6
173.13278	8.2
175.11176	9.5
177.09164	1.9
177.12805	2.3
179.08524	3.3
180.09225	2.3
181.10129	6.9
181.12236	14.4
182.10893	4.5
183.11739	11.3
183.13676	1.7
184.12454	3.9
185.09650	3.9
185.13217	8.2
187.11206	6.2
187.14801	3.9
189.12784	4.3
190.13496	4.8
191.10619	2.2
191.14291	3.9
193.10223	2.8
193.12268	5.2
194.10881	3.6
195.11714	9.8
195.13654	2.8
197.09764	1.9
197.13248	10.6
198.10390	3.1
198.13995	1.7
199.11134	5.1
199.14859	5.1
201.12730	3.1
203.14345	10.8
207.11674	4.9
207.13817	9.4
208.09192	1.8
208.12715	2.5
208.14580	11.5
209.13316	10.0
209.15141	1.9
211.11203	4.3
211.14842	4.7
213.12743	4.4
213.16449	1.8
219.13699	2.9
220.12334	3.0
221.13297	4.7
221.15358	53.0
222.13762	1.8
222.15813	4.0
223.11127	2.6
223.14854	3.6
224.15527	3.3
225.12807	3.0
225.14534	8.7
225.16753	2.5
227.14297	2.8
231.13744	3.6
233.13268	3.3
233.15396	8.4
234.16144	12.2
237.12721	6.2
237.16510	2.9
241.15771	1.6
247.16953	6.9
251.14374	2.5
251.18042	1.9
259.16992	2.4
267.17532	2.9
269.15283	2.0
271.16800	2.5
273.18472	3.5
281.19101	3.0
285.18616	1.9
286.19348	4.0
287.20102	36.2
288.51160	1.7
299.20096	8.3
300.20819	2.6
303.19760	3.2
311.20108	2.1
312.20511	3.0
313.21664	3.4
319.20291	2.2
325.21609	10.4
329.21173	3.2
337.21658	7.7
339.23206	5.3
350.22299	2.1
352.23978	69.5
353.24387	3.8
365.24759	11.8
367.26132	3.5
378.25641	2.8
391.26273	2.9
395.25818	5.2
420.77301	1.9
472.31976	4.5
525.35883	10.0
526.35693	2.2
538.36523	86.1
539.37317	1.9
582.40295	1.9
603.41217	1.7
618.42706	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	617.4238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
55.01865	1.4
55.05510	6.2
57.03441	2.2
57.07080	25.3
59.05007	3.2
65.03944	1.3
67.05512	9.1
67.33319	1.2
69.03436	5.8
69.07065	6.8
71.05007	1.3
71.08640	42.6
71.49512	1.0
71.49876	1.8
73.06567	2.5
77.28925	1.3
79.05493	12.5
80.05863	1.2
81.03416	2.2
81.07072	10.9
83.04977	4.4
83.08607	6.1
85.10184	21.3
87.04478	20.0
89.06037	100.0
89.61743	1.3
91.05489	21.9
93.07050	23.0
95.05003	5.6
95.08600	8.2
97.06519	3.8
99.08109	1.3
103.05448	3.5
105.04523	1.7
105.07038	21.5
107.04974	4.5
107.07091	2.7
107.08598	11.6
109.06538	4.5
109.10159	4.2
111.11774	1.2
115.05491	1.3
117.07052	6.5
119.04932	3.2
119.07820	1.6
119.08593	18.4
121.06511	28.4
121.10159	14.5
123.08118	7.3
123.11732	2.5
125.06018	3.5
125.09653	1.9
128.06215	2.4
129.07019	3.7
130.08650	1.7
131.07048	4.0
131.08553	8.7
133.06494	1.7
133.08607	46.7
133.10123	8.9
134.10387	1.7
135.08083	6.4
135.11716	4.4
136.05235	2.1
137.09618	3.7
139.07542	1.4
139.11147	1.2
142.07817	4.5
143.08539	5.6
144.09349	2.7
145.06511	1.8
145.10141	10.3
147.08072	11.0
147.11708	3.2
149.09668	8.3
151.07550	5.9
155.08618	2.4
156.09319	2.1
157.10104	7.2
159.08096	2.8
159.11716	6.3
161.09607	3.6
161.13252	2.2
163.11208	5.6
165.09146	13.5
165.12752	1.2
167.10689	10.0
169.10150	3.9
171.11699	4.8
171.50020	1.1
173.09700	1.9
173.13261	2.2
175.11174	1.7
177.11238	10.8
181.12270	2.9
182.10881	1.4
183.11679	3.3
185.13219	3.0
187.11232	2.0
189.12726	3.2
191.10674	2.3
191.14394	2.6
193.12270	1.4
195.11671	2.4
197.13261	3.3
201.12804	1.5
203.14429	2.5
207.11839	1.4
207.13826	3.5
209.11670	3.0
209.13367	2.6
211.14900	2.2
215.14410	1.5
219.13721	1.9
221.13557	1.8
221.15395	10.8
223.14873	2.2
233.15465	3.9
247.16930	1.7
247.20547	17.4
256.26208	1.3
273.22134	3.0
283.17374	1.3
286.19370	2.7
289.25183	1.6
291.23212	23.4
299.19958	1.8
311.20261	1.5
335.25830	4.6
391.26068	1.4
395.07080	1.2
481.14850	1.3
598.17480	1.3
599.40796	4.7
617.42151	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	617.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.0
55.01864	1.7
55.05522	8.1
57.06832	2.0
57.07083	23.2
59.05000	3.2
65.03936	3.2
67.05516	11.3
69.03429	5.8
69.07055	8.1
69.40259	7.8
69.40661	2.3
71.08639	42.1
73.06566	2.3
74.20070	1.2
79.05502	13.3
81.03448	2.4
81.07059	16.2
83.04980	4.3
83.08622	6.8
84.97012	1.3
85.06544	2.6
85.10188	25.6
87.04478	21.1
89.06039	100.0
91.05490	23.9
93.07050	27.1
95.04469	1.4
95.04971	8.4
95.08612	14.3
97.06535	5.9
97.10167	1.3
103.05481	2.9
105.04553	2.2
105.07040	28.5
106.07379	2.5
107.04971	5.9
107.07090	2.4
107.08589	18.1
109.06538	6.0
109.10197	8.7
111.08073	3.0
117.07030	7.4
119.04957	3.6
119.08588	21.1
121.06519	28.6
121.10155	15.2
123.08086	9.3
123.11701	4.5
125.05997	1.5
125.09628	3.5
127.14874	1.5
128.06230	2.2
129.06987	4.7
131.07120	6.7
131.08589	12.1
133.06528	2.8
133.08618	57.9
133.10129	14.5
135.08058	9.4
135.11679	5.4
136.05208	2.1
137.09615	4.0
139.11183	2.3
141.07057	1.7
142.07808	2.8
143.08589	8.1
144.09315	2.3
145.10127	13.4
147.08063	12.9
147.11710	3.7
149.09618	11.3
149.13274	2.1
151.07578	11.1
151.11195	1.3
151.52512	1.4
153.09058	1.6
155.08545	3.4
156.09338	3.3
157.10124	11.2
158.10881	1.8
159.08092	3.5
159.11710	9.1
160.08714	1.2
161.09656	4.1
161.13292	2.4
163.07594	1.8
163.11211	6.9
164.08347	2.5
165.09146	19.2
167.10692	14.2
169.10114	4.4
171.11703	5.7
173.09705	2.2
173.13283	4.8
175.09756	3.1
175.11201	2.8
175.14882	2.0
177.11244	13.0
177.12683	2.6
179.08650	1.9
181.10155	2.6
181.12263	5.6
182.10936	1.4
183.11659	3.3
184.12413	1.6
185.13322	3.8
187.11185	2.8
187.14795	2.2
189.12767	5.0
191.10619	1.7
191.14383	3.0
193.10231	2.4
193.12276	1.7
195.11765	4.8
197.13280	5.1
198.46156	1.5
199.14755	2.3
203.14293	4.7
204.35620	1.4
207.11896	2.5
207.13869	5.7
209.11783	3.9
209.13432	3.1
209.15405	2.8
213.12708	2.5
213.16354	1.5
215.14314	4.0
221.13406	2.6
221.15355	18.1
223.14920	1.8
233.13266	1.8
233.15427	4.6
234.16072	1.8
235.15102	1.8
235.17110	1.3
237.16501	2.6
247.17026	1.9
247.17979	1.7
247.20581	19.5
249.16415	2.1
263.18161	1.5
273.22098	3.6
277.19189	1.2
286.19296	3.2
289.19449	1.6
291.23233	26.1
299.20044	1.7
317.24792	1.5
335.25861	4.0
391.26215	2.1
537.35364	1.7
581.39746	2.4
599.40979	5.1
606.42621	1.6
617.42334	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	617.4204
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29977	3.2
53.03952	12.3
55.01877	6.2
55.05507	25.8
57.07088	18.1
59.05002	4.8
61.02922	6.0
67.05506	40.5
69.03425	17.3
69.07076	22.3
69.16949	39.4
71.05011	6.0
79.05490	49.6
81.03439	4.1
81.07058	55.8
83.04992	34.8
83.08644	19.0
85.02924	7.9
85.06561	10.9
87.04503	4.8
88.43713	3.6
91.05482	61.2
93.07050	87.2
93.51533	3.9
95.04968	37.2
95.08615	41.8
97.06529	26.4
99.04480	4.7
103.05466	9.1
105.06307	7.4
105.07026	100.0
106.07359	3.9
107.04977	7.9
107.08601	67.9
109.06517	23.8
109.10152	32.1
111.08073	6.9
113.09682	8.6
115.05434	8.6
116.06250	5.0
117.07007	28.5
119.04970	3.6
119.08587	72.6
119.09376	6.0
121.06516	13.4
121.10150	89.9
122.10513	4.4
123.08089	27.3
123.11730	8.9
125.06004	22.8
125.09641	16.9
127.11137	5.3
128.06241	16.3
129.06995	23.8
130.07773	14.2
131.08574	50.8
133.06497	11.2
133.10135	62.4
135.08073	25.4
135.11719	18.0
137.05962	4.4
137.09627	12.9
139.11183	5.0
141.07036	4.8
142.07800	19.7
143.08553	40.7
144.09329	8.9
145.06529	5.6
145.10133	63.5
146.07230	5.4
147.08066	15.8
147.11719	25.1
149.09634	23.5
149.13304	4.7
151.07574	22.4
155.08559	23.2
155.10634	7.4
156.09375	17.6
157.10150	59.1
158.10983	6.8
159.08084	20.1
159.11722	31.7
161.09648	20.7
161.13220	5.9
163.03967	4.3
163.11191	38.5
165.06990	9.5
165.09114	16.8
167.08556	9.0
167.10680	78.4
168.09387	7.1
169.10121	26.0
171.11671	31.3
173.09641	9.3
173.13219	29.5
175.11232	12.7
175.14772	9.6
177.08902	4.9
179.08594	11.0
181.10132	19.9
181.12198	30.1
182.10858	10.8
183.11639	21.2
185.09628	5.7
185.13237	20.7
187.11272	8.0
187.14868	7.8
189.12785	15.0
191.14317	8.5
192.09329	4.9
193.10126	15.7
194.10904	7.1
195.11766	20.4
196.12396	4.6
197.13345	19.8
198.31534	4.6
199.11226	6.2
199.14830	14.3
203.14320	11.5
205.10245	5.4
206.10960	8.2
207.11722	17.7
207.13838	17.9
208.12480	5.9
209.13304	22.7
209.15172	5.7
211.11148	5.1
211.14842	15.9
213.12762	4.9
215.14345	7.6
217.15869	6.3
219.11787	5.1
220.12543	6.3
221.13260	19.4
221.15408	27.1
223.14888	11.1
225.12814	5.7
225.16393	7.1
227.14438	7.3
231.11798	6.6
233.13318	8.0
233.15326	34.0
235.14801	9.7
237.16435	7.7
239.14238	5.9
239.17946	9.1
245.13193	4.8
247.14941	6.5
249.16481	9.7
251.17938	4.4
261.16412	4.8
269.18918	6.8
273.16006	5.4
273.18661	6.9
279.17529	5.2
283.20535	4.8
293.19022	4.3
299.20084	11.0
311.20065	5.8
331.24557	3.9
361.25330	5.3
365.24777	5.3
525.35443	9.4
581.39868	7.5
599.41180	24.2
617.42200	59.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.4633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.5
55.05514	0.7
57.03444	6.0
57.07062	0.5
59.05004	100.0
61.02921	0.4
67.05485	0.6
68.16236	0.4
69.07053	0.8
69.14455	2.2
69.14883	2.2
79.05484	1.7
81.07040	1.6
85.06519	0.4
87.04429	0.8
91.05483	1.5
93.07035	1.9
95.04973	1.0
95.08611	1.1
97.06532	1.2
99.08080	1.9
100.07604	0.5
101.09643	1.5
105.07024	2.3
107.08572	1.4
109.06519	0.8
115.07587	2.7
117.09138	39.0
119.08546	1.1
121.10155	2.0
122.10515	0.6
123.08080	0.6
129.07021	0.5
131.08562	1.2
133.10097	1.1
137.09598	0.6
143.08440	0.4
145.10088	1.3
147.08055	0.6
150.29300	0.5
151.07550	0.8
157.09999	0.5
159.08141	0.5
159.11650	0.5
161.09599	0.5
163.03888	0.5
165.09071	0.7
167.10663	1.7
171.11769	0.5
173.09766	0.6
173.13266	0.8
175.13316	15.1
181.12209	0.6
183.11519	0.5
221.15216	0.7
222.15536	0.6
233.15372	1.1
233.17497	4.1
291.21536	0.8
349.25912	0.6
482.06149	0.5
610.16937	0.5
616.41510	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	616.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63198	0.9
53.80193	0.8
55.05500	1.2
57.07078	1.2
59.04988	1.9
67.05502	2.1
71.65173	0.7
73.06583	0.9
73.64058	0.9
79.05492	6.1
81.07040	3.2
83.04954	1.4
87.04473	2.7
89.06032	62.0
90.75073	0.9
91.05475	5.8
93.07037	2.7
94.07384	0.9
95.04977	2.9
95.08616	2.4
97.06542	1.0
103.05477	9.1
105.07034	100.0
106.07346	1.7
107.07080	1.5
107.08580	3.0
109.10129	1.2
117.06988	1.5
119.08592	2.0
121.06496	1.3
121.10133	2.7
122.07084	0.9
123.08073	1.7
125.09600	1.0
126.55431	0.8
129.07024	2.0
131.08556	2.6
133.08603	13.6
133.10147	2.9
135.08102	1.0
142.07779	0.9
143.08572	2.3
145.10083	2.0
147.08064	1.3
151.07491	1.6
152.19023	0.8
155.08556	1.3
157.10155	1.7
159.11713	1.6
167.10664	2.3
168.10997	0.9
171.08055	1.7
173.09724	1.2
177.09860	1.6
177.11246	14.7
181.10257	1.2
184.07260	2.0
193.10127	1.8
195.08147	1.3
197.09630	1.5
203.14413	1.3
206.10857	1.1
207.08192	1.3
207.11688	3.5
209.13246	1.5
220.08855	1.5
221.15343	2.4
223.11241	2.4
233.15402	1.1
234.10428	0.9
236.34471	0.9
249.12746	14.0
301.15826	1.8
327.17416	16.0
373.20151	8.7
405.22159	32.6
431.23569	1.1
463.24780	1.2
475.25790	1.1
477.26392	40.9
572.22467	1.0
581.32623	20.7
616.41272	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	616.217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.7
55.01865	1.2
56.05043	2.9
57.03429	1.2
58.28807	0.6
61.02925	1.3
63.31831	0.6
69.03436	7.6
69.07066	1.5
70.06593	12.7
71.04981	1.9
71.49339	1.0
72.08163	3.3
73.02906	2.1
77.65676	0.5
79.05483	1.7
80.63641	0.5
81.03417	7.0
84.04508	0.9
84.08142	6.0
85.02909	6.7
87.00848	2.8
91.05474	1.1
96.04493	0.8
97.02886	4.2
97.06532	5.0
99.04456	1.9
100.07627	4.0
105.01905	1.1
105.07075	0.6
106.06548	3.6
109.02874	5.3
113.07138	18.6
123.04439	0.7
127.03921	4.9
127.08675	2.0
131.08122	4.0
137.05998	5.3
143.08162	100.0
145.04936	0.8
145.09767	1.1
147.04459	0.8
149.05972	1.1
150.56703	0.5
152.05684	1.0
155.11790	0.6
157.06088	4.7
159.02933	0.8
160.07573	0.5
169.13499	0.7
171.11317	1.2
173.12852	6.1
177.09122	0.7
179.54793	0.6
185.09274	0.8
185.12854	14.7
189.09039	0.7
203.10182	1.1
206.08180	3.2
207.08458	1.6
233.11678	3.1
234.12169	0.7
245.15115	1.2
250.14406	4.5
251.07881	4.4
251.12698	1.0
252.08173	2.8
262.11911	0.7
264.15955	1.2
266.92361	0.6
347.14395	2.5
389.19104	7.9
391.28580	0.6
405.11365	0.8
424.17258	2.3
433.18039	4.9
436.23541	0.9
466.18060	2.2
508.22931	41.0
510.17148	5.8
511.15402	0.6
552.21918	59.3
553.22064	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.5
55.05517	22.6
57.03431	7.8
57.03683	1.7
57.07083	14.8
59.04992	5.8
59.99532	1.7
62.36410	1.6
65.03938	3.4
66.85022	1.4
67.05509	51.9
69.07073	23.2
69.50034	11.8
71.08637	7.1
77.03918	1.9
79.05498	29.8
80.00757	1.8
81.06593	3.6
81.07063	58.8
83.04990	1.6
83.08623	13.6
85.06565	2.8
85.10172	4.2
89.06036	4.5
91.05488	27.0
93.07044	37.2
95.05000	2.7
95.08611	45.2
97.06536	4.1
97.10179	7.8
99.08097	3.9
105.07039	27.6
107.08607	23.9
109.10164	19.9
111.08027	1.9
111.11736	2.4
117.07024	11.0
119.08582	23.3
121.10149	17.3
123.11726	9.1
128.06181	1.9
129.07018	7.1
131.08572	18.0
133.10124	15.2
135.11676	9.9
137.13281	3.2
139.11185	1.9
141.06996	3.1
143.08592	5.1
145.10144	13.6
147.11673	11.3
149.09625	2.9
149.13293	7.5
155.08577	3.5
157.10158	4.4
159.11697	9.0
161.13280	7.0
163.11205	2.9
169.10115	3.6
171.11754	5.1
173.13290	8.0
175.14890	5.7
177.16301	1.6
185.13290	2.3
187.14868	4.1
192.80945	1.7
197.13229	2.1
201.16432	2.1
215.17970	2.0
241.19528	3.2
243.21188	4.9
259.20639	4.2
261.22220	8.9
268.95093	1.9
285.22168	10.0
313.27490	7.9
315.26923	2.6
317.24640	2.3
335.25977	6.8
337.23880	2.2
337.27106	10.0
339.29196	3.5
445.94653	1.8
491.37265	2.2
503.36804	2.0
523.45245	5.4
541.45667	2.4
597.48987	10.5
615.49829	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4981
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.7
55.05511	21.6
57.03434	5.6
57.07078	10.7
59.05001	3.7
65.03930	3.5
65.33314	1.6
67.05505	45.4
69.07065	27.8
71.05017	2.3
71.08628	3.8
72.39178	1.5
72.76999	1.6
77.70448	1.3
79.05069	2.6
79.05492	28.2
81.07056	53.4
83.04970	2.4
83.08614	13.3
85.06529	2.6
85.10165	1.9
89.06028	5.9
91.05481	19.4
93.07042	39.0
95.04987	1.8
95.08608	45.6
97.06567	3.0
97.10142	8.9
99.08070	2.2
105.07021	21.3
107.08589	17.5
109.10167	23.2
109.72065	1.5
111.11716	2.4
116.54025	1.5
117.07019	6.3
119.08585	20.1
121.10136	15.7
123.08092	1.9
123.11710	7.9
129.07019	2.0
131.08583	11.9
133.08636	2.1
133.10149	14.0
135.11707	11.3
137.13266	3.3
139.51454	1.7
143.08611	3.2
145.10123	13.9
147.11659	10.1
149.13243	8.9
157.10130	2.7
159.11711	9.5
161.13289	7.0
163.14828	4.5
170.31796	1.5
171.11731	4.2
173.13309	6.9
175.14854	4.9
183.11681	2.3
185.13252	2.5
187.14832	3.9
189.16415	2.4
191.18071	2.3
199.14839	3.6
201.16415	2.6
203.17891	1.9
213.16556	2.1
217.19556	2.0
231.21068	1.8
243.21277	2.4
259.20642	5.8
261.22086	7.7
275.24005	1.8
303.23169	2.6
315.27365	1.8
333.24173	4.1
335.25879	8.4
337.27319	12.6
339.29041	3.8
371.32999	1.9
436.35440	1.6
489.35861	1.8
523.45117	7.4
541.46295	2.4
597.48737	10.2
615.49786	100.0
621.78497	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.5
53.23608	2.2
55.01875	11.7
55.05515	25.8
57.03441	37.3
57.07080	24.9
57.43761	2.2
57.47396	2.2
58.07408	2.6
59.05010	15.7
65.03947	7.1
67.05512	98.6
69.03427	4.8
69.07073	24.0
69.16818	15.2
69.17236	6.6
71.05000	7.2
71.08639	20.0
72.09000	4.2
73.06550	5.5
79.05499	96.3
81.03450	4.8
81.07064	89.6
83.04984	10.1
83.08613	15.3
85.02912	3.2
85.06548	15.3
85.10186	13.3
86.10543	3.3
86.49809	2.4
87.04478	5.5
89.06037	39.6
90.06358	7.3
91.05487	63.9
93.07050	86.8
95.04382	3.5
95.04980	61.6
95.08614	55.8
95.09100	1.5
97.06557	14.4
97.10174	6.1
98.21512	4.8
99.08094	19.4
103.05498	3.2
105.04536	3.6
105.07037	50.3
107.04951	16.6
107.08599	39.2
109.06533	80.8
109.10153	20.2
111.04420	3.1
111.08102	7.1
113.06019	33.8
115.05488	5.7
116.00386	2.3
117.07009	24.6
117.09137	7.1
119.04933	2.6
119.08602	35.3
121.06515	9.5
121.10139	33.8
123.08083	14.9
123.11703	5.8
125.06104	2.4
125.09657	4.8
127.06744	2.2
127.07567	10.7
128.06242	5.0
129.06992	15.3
130.07845	3.3
131.08572	32.4
133.06485	5.3
133.08615	25.7
133.10147	19.5
134.08974	5.1
135.08067	59.2
135.11676	17.7
137.09604	6.8
137.13281	2.6
141.06937	2.5
142.07831	5.4
143.08589	15.5
145.06467	3.6
145.10129	26.7
147.08073	10.4
147.11707	10.3
149.09610	9.5
149.13286	4.6
151.07535	6.2
155.08508	2.5
155.65169	2.4
155.74963	2.4
156.09448	2.5
157.10127	11.9
159.08110	5.5
159.11739	10.4
161.09631	15.0
161.13289	7.1
163.11194	8.6
165.07025	2.5
165.09148	7.6
167.10748	4.5
169.10117	4.8
171.11697	10.5
173.09648	4.9
173.13297	10.2
175.11221	7.3
177.09067	2.7
177.11217	7.3
177.12677	6.1
178.11649	2.8
181.12302	3.7
183.11746	4.4
185.09589	2.6
185.13303	6.4
187.11136	3.8
187.14848	5.2
189.12840	5.9
195.11668	5.4
197.13245	3.6
199.14885	8.4
207.11697	4.3
209.13257	4.4
215.18002	6.1
217.15808	13.4
221.15413	5.9
227.14558	3.1
227.18053	2.7
233.15483	4.0
245.15390	5.7
256.13406	2.7
263.16574	4.1
273.18512	37.6
279.15805	2.5
291.19550	100.0
304.14746	2.6
307.22702	77.3
313.27280	2.9
335.25903	8.6
347.22192	6.7
352.35999	2.6
353.51288	2.5
365.23291	10.7
515.20404	2.5
579.40198	8.8
597.41541	37.7
598.46515	2.6
615.41351	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.4
53.32534	1.2
55.01862	3.4
55.05517	9.8
57.03166	1.3
57.03437	27.5
57.07077	6.4
59.05007	5.3
65.03949	6.8
67.05508	72.0
69.03415	3.6
69.07071	9.2
69.84466	5.6
71.00857	1.0
71.04973	3.9
71.08608	1.6
71.78857	1.1
71.95628	1.2
72.17575	1.1
79.05494	25.6
81.03412	2.6
81.06598	1.8
81.07058	31.1
83.04955	3.6
83.08611	4.5
85.06544	26.6
87.04460	2.3
89.06022	8.2
91.04906	1.5
91.05482	23.7
93.06491	1.7
93.07047	26.6
95.04974	72.6
95.08614	24.4
95.68141	1.2
97.06519	3.4
97.10167	2.5
101.60017	1.0
103.05494	1.6
105.07039	24.0
107.04947	7.0
107.08589	17.9
109.06538	15.2
109.10151	11.2
113.06010	100.0
115.05451	1.8
116.06200	1.2
117.07001	7.0
117.09172	1.3
119.08597	15.8
120.08987	1.1
121.06476	3.1
121.10148	16.4
123.04427	1.8
123.08066	5.6
123.11694	2.9
125.05975	3.0
125.09631	2.7
128.06218	3.1
129.06973	6.9
130.07791	1.3
131.08566	13.5
132.27061	1.2
133.06456	1.4
133.08559	3.1
133.10141	11.0
135.08069	9.8
135.11684	4.4
137.06032	1.7
137.09642	2.6
141.07002	1.9
143.08519	8.2
145.06508	1.7
145.10138	16.1
147.08061	4.9
147.11707	6.6
149.09659	7.5
149.13269	3.4
151.07558	2.1
151.11230	2.3
155.08496	2.5
156.09383	2.4
157.10117	7.9
159.08087	2.4
159.11745	5.8
161.09610	4.3
161.13249	3.5
163.11180	3.2
163.14772	1.3
165.09122	4.4
167.10683	2.5
169.08681	2.7
169.10159	3.7
171.08087	1.2
171.11661	5.2
173.09615	4.2
173.13274	4.9
175.11159	2.4
175.14766	2.5
177.09241	1.2
180.09203	1.1
181.10094	2.0
181.12294	1.7
183.10155	5.9
183.11739	3.0
185.09673	1.6
185.13246	3.6
187.09645	1.5
187.11140	1.6
187.14777	2.1
187.64626	1.2
189.12755	3.4
191.10631	2.7
195.11644	2.2
197.13196	1.5
199.14784	5.3
201.16359	2.8
207.13733	1.9
209.13193	3.5
217.15886	3.3
221.15350	5.3
227.14294	4.1
233.15451	1.4
245.13042	1.0
245.15401	20.0
261.22217	1.4
263.16440	11.7
281.17471	1.9
299.19839	1.6
305.19101	1.2
313.27274	1.7
315.19495	1.2
319.18759	2.4
335.25815	41.5
337.20187	6.5
429.29919	2.5
443.31638	6.9
447.74521	1.2
578.39429	1.3
579.40015	1.5
594.40295	1.3
597.41089	8.6
615.40863	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	615.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	3.1
53.03947	10.3
55.01881	15.7
55.05516	54.7
57.03450	16.3
57.07077	6.8
58.06594	7.4
59.04996	10.9
65.03922	5.4
67.05510	85.4
69.03428	13.0
69.07071	39.0
71.04988	9.4
71.08657	3.4
71.55753	2.9
77.03952	3.6
79.05499	84.9
81.03419	8.0
81.07064	85.1
83.04987	11.1
83.08628	21.5
85.06544	12.0
87.04476	4.5
89.06032	11.4
91.05489	59.6
93.06487	6.0
93.07053	91.8
95.04971	24.3
95.08612	52.2
97.02899	5.5
97.06518	15.8
97.10182	34.1
97.51141	3.0
99.08131	3.0
101.06026	8.8
105.04497	4.4
105.07048	57.7
107.04961	8.6
107.08608	44.1
109.06521	8.5
109.10170	32.0
111.04455	4.1
111.08096	6.6
113.06036	2.7
117.07034	24.3
117.09176	4.1
119.08585	45.4
121.06509	8.1
121.10160	49.0
123.08074	16.0
123.11724	9.6
124.48407	3.3
125.05986	4.1
125.09627	26.0
128.06241	6.7
129.07030	14.3
130.07803	4.8
131.08591	31.5
133.06490	8.7
133.08646	3.2
133.10133	30.4
135.04393	3.6
135.08064	11.6
135.11708	26.2
137.09550	12.7
141.06952	5.4
142.07794	3.9
142.88889	2.9
143.08551	16.6
144.10234	3.4
145.06511	4.6
145.10135	28.6
147.08073	17.5
147.11626	16.4
149.09625	12.2
149.13275	8.4
151.07584	3.4
151.11142	3.1
153.09135	4.5
155.08546	5.5
157.10152	20.0
159.08081	4.5
159.11682	18.1
161.09651	8.2
161.13310	7.7
163.07620	3.1
163.11221	9.5
165.09169	7.7
167.10776	3.3
169.10219	7.1
171.11678	14.2
173.09656	5.2
173.13318	10.3
175.11212	5.2
175.14819	7.3
181.10155	5.3
181.12064	3.1
183.11697	10.0
187.14882	4.6
189.11244	14.9
189.12758	5.4
191.10751	3.6
193.12392	2.7
195.11737	7.6
197.13316	6.0
199.11244	3.5
199.14742	3.9
205.15999	3.3
205.19496	4.1
207.11775	3.8
207.13789	4.1
209.13242	5.9
211.11198	3.5
211.14824	5.1
213.12752	5.6
215.17929	10.8
221.15411	10.6
223.13173	14.9
227.12718	20.8
231.17494	4.1
231.92580	3.0
233.15405	5.1
233.19051	16.5
236.14899	13.6
237.15038	4.7
239.18008	5.2
241.19456	3.7
245.13707	4.4
249.18697	2.9
257.18918	2.9
273.18527	21.9
275.20139	3.1
276.93045	2.7
291.19565	100.0
299.20087	3.6
307.22708	54.7
309.20581	2.7
353.28381	3.7
365.23349	29.6
415.25095	3.3
503.33765	3.7
505.36572	3.6
579.40198	10.0
597.41559	84.6
615.42706	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	615.4246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	12.7
55.01868	14.1
55.05515	39.1
57.03432	11.2
57.07072	13.8
58.06598	7.7
59.05009	20.7
65.03938	7.6
67.05505	93.7
69.03407	6.2
69.07080	26.1
69.07403	5.1
70.08930	3.5
71.01010	3.8
71.04980	7.1
71.40913	8.1
79.05503	84.7
81.03396	9.2
81.07060	100.0
83.04976	18.0
83.08630	16.9
85.06554	7.1
88.45900	4.5
89.06031	15.8
91.05479	65.4
93.07043	90.2
95.04984	23.3
95.08612	65.1
97.06541	13.4
97.10191	6.1
101.05970	8.3
103.07578	8.6
105.07035	96.1
106.07362	10.3
107.04963	11.8
107.08592	48.3
109.06514	17.0
109.10163	40.8
111.08081	11.2
115.05491	6.8
117.07005	20.0
119.08582	42.8
121.06538	20.5
121.10146	43.5
123.08092	16.5
123.11729	9.7
125.09652	8.3
128.06203	3.7
129.07018	13.4
131.08568	39.5
133.06496	16.3
133.08609	10.3
133.10143	49.9
135.08058	18.3
135.11710	21.7
135.12622	3.7
137.09639	6.0
139.07617	6.3
142.07779	6.5
143.08565	15.6
144.27477	4.3
145.10110	29.7
147.08055	18.9
147.11687	12.3
147.16267	4.3
149.09641	11.2
149.13326	5.8
151.07549	8.9
151.11166	12.7
153.09148	4.6
155.08545	4.7
157.10124	14.1
159.11723	14.5
161.09621	15.7
161.13318	5.4
163.11179	7.4
165.09096	13.1
169.10167	9.7
169.12306	4.1
171.11703	14.0
173.13332	13.8
175.11201	7.9
175.14847	4.7
177.09100	9.4
179.10681	4.0
181.10089	7.4
181.12292	5.1
183.11580	5.1
185.09521	4.2
185.13217	8.2
185.14793	4.3
187.11214	8.1
189.12796	6.8
191.14360	5.2
199.11240	5.4
203.14333	7.1
207.13805	5.5
215.17976	6.1
221.15378	17.4
227.17928	4.7
236.14926	22.8
237.15247	6.4
245.19028	14.3
253.14384	15.1
263.20056	10.5
273.18481	37.6
285.17032	6.1
291.19525	42.0
307.22693	65.4
309.20236	6.4
335.25647	5.3
347.21976	6.4
352.12515	4.5
365.23209	37.1
367.28244	4.8
468.21399	9.0
501.32300	5.8
503.33832	6.0
555.25983	35.7
570.29565	4.7
597.41583	52.6
608.99762	5.8
615.39227	13.8
615.46399	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4246
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	2.7
53.03941	12.5
55.01866	13.1
55.05513	38.1
57.03444	13.9
57.07074	14.1
59.05002	16.5
65.03931	3.7
67.05507	100.0
69.03419	9.1
69.07065	30.9
70.67274	3.4
71.04993	3.7
71.08638	6.0
71.49516	5.3
72.04513	3.7
73.02905	2.7
79.05496	97.8
81.03422	7.9
81.06595	5.7
81.07057	97.4
83.04972	13.2
83.08617	15.5
85.06536	10.3
89.06029	9.1
91.05485	86.9
93.07048	85.9
95.04988	19.3
95.08614	73.2
97.06538	7.2
97.10162	7.1
99.08105	5.6
99.97485	3.0
103.05461	3.8
105.04501	4.5
105.07029	69.4
107.04946	13.0
107.08600	57.6
109.06503	14.8
109.10156	41.6
111.04449	4.5
111.08081	12.3
113.05933	2.8
117.07042	20.8
119.08585	48.4
121.06532	13.8
121.10152	37.0
123.04391	5.7
123.08080	17.4
123.11729	10.0
125.06010	4.2
125.09658	8.8
127.01747	2.7
128.06250	5.2
129.06996	14.3
131.08580	32.0
133.06500	7.9
133.08624	5.6
133.10147	47.1
135.08080	19.7
135.11690	25.6
137.09645	8.4
139.07506	7.3
141.06993	6.2
142.07768	6.2
143.08583	18.0
145.10112	32.4
147.08046	13.7
147.11693	13.4
149.09561	14.7
149.13274	8.2
151.07549	7.7
151.11153	17.2
155.08566	6.3
156.09323	3.4
156.52507	3.2
157.10127	19.5
159.08098	6.4
159.11716	16.2
161.09691	17.6
161.13289	10.6
163.11168	11.4
165.09087	11.9
169.10124	8.0
170.10892	3.5
171.11700	12.1
173.09648	8.1
173.13315	8.1
175.11133	8.5
175.14806	4.0
177.09126	7.7
177.12740	4.2
179.10658	4.8
181.10143	4.7
181.12289	6.4
183.11621	6.9
185.09592	4.6
185.13335	7.2
187.11238	5.0
189.12767	8.0
193.12234	3.8
195.11697	7.7
197.13239	5.1
199.14830	3.8
201.12859	4.3
201.16447	3.9
203.14316	8.9
207.11777	3.4
207.13759	5.9
209.13335	4.5
213.16356	5.6
215.17987	6.4
221.15361	18.2
233.19098	5.2
237.16466	4.0
245.19034	10.8
253.14380	16.3
263.20084	6.6
266.05508	3.0
273.18481	39.3
285.22110	11.0
291.19559	59.2
306.05441	3.0
307.22711	53.8
308.29507	7.0
309.20657	7.9
313.27393	3.9
319.18939	3.8
335.25964	8.4
337.20029	3.9
347.22153	7.8
365.23260	19.9
503.34149	3.9
554.98273	2.9
579.40381	4.6
597.41431	35.7
615.40955	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	8.0
55.01869	13.4
55.05314	3.2
55.05519	28.1
57.03430	13.5
57.07080	16.4
59.05005	24.4
65.03941	6.0
67.05186	6.2
67.05511	84.8
68.05833	3.3
69.03415	8.8
69.06738	4.7
69.07076	76.1
71.04979	6.2
71.08636	4.4
71.49349	5.1
73.06561	6.1
79.05498	84.3
81.03416	6.9
81.07062	98.1
83.04984	14.2
83.08614	15.9
85.06542	11.0
85.10169	3.2
87.04489	4.2
89.06028	9.5
91.05488	82.0
93.07056	100.0
95.04951	17.3
95.08614	87.2
97.06554	25.9
99.08089	6.6
103.05472	5.2
104.80997	3.3
105.07039	68.9
107.04968	19.0
107.08594	56.1
109.06512	12.4
109.10164	36.9
111.08070	9.9
115.05450	6.2
117.07037	27.8
117.09198	3.4
119.08591	84.7
119.09470	4.5
121.06483	6.1
121.10143	54.3
123.08074	29.3
123.11710	11.5
125.05994	6.9
125.09608	10.6
128.06216	8.8
129.07033	26.3
130.07816	4.7
131.08589	54.0
133.06436	6.4
133.08604	7.5
133.10129	48.4
135.08060	16.1
135.11719	20.3
137.09596	13.9
138.78241	3.9
141.06985	7.2
142.07782	9.5
143.07088	17.2
143.08594	25.5
145.06453	5.3
145.10129	45.7
147.08020	25.2
147.11700	21.6
149.09616	21.1
149.13287	9.7
151.07547	25.1
151.11209	9.1
155.08557	10.1
156.09346	8.5
157.10144	31.3
159.08061	5.8
159.11714	26.1
161.08151	5.4
161.09630	14.4
161.13223	10.6
163.11180	6.9
163.14864	7.8
165.09152	21.0
167.08565	5.3
167.10707	4.3
168.09399	4.2
169.10107	13.8
171.11664	13.7
173.09677	4.6
173.13240	19.7
174.75085	3.5
175.11298	8.6
175.14874	17.0
177.09053	5.0
177.12766	4.4
179.10744	4.2
181.10152	5.1
181.12256	5.9
183.11713	14.1
185.09532	3.8
185.13251	14.1
187.11153	6.4
187.14796	12.2
189.12817	8.8
189.16418	10.0
191.14288	6.3
193.10159	4.1
195.10165	4.2
195.11765	6.7
197.13271	7.3
199.09657	17.4
199.11281	4.2
199.14778	21.3
201.16333	9.0
203.14270	8.7
205.08698	3.6
207.11813	5.6
207.13809	8.6
209.13303	7.9
213.12794	5.1
217.15851	19.7
221.15353	37.1
223.14789	6.1
223.16826	5.1
225.16333	3.8
245.15361	15.5
247.17018	6.5
261.22055	20.3
263.16309	19.4
285.22156	6.7
299.19943	5.7
313.27441	5.1
335.25824	46.1
337.20117	25.7
485.32770	4.4
487.35367	5.0
491.34729	6.1
503.33768	4.9
523.36743	4.8
579.40179	7.1
583.41479	7.3
597.41608	85.9
615.43372	53.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	8.0
55.01869	13.4
55.05314	3.2
55.05519	28.1
57.03430	13.5
57.07080	16.4
59.05005	24.4
65.03941	6.0
67.05186	6.2
67.05511	84.8
68.05833	3.3
69.03415	8.8
69.06738	4.7
69.07076	76.1
71.04979	6.2
71.08636	4.4
71.49349	5.1
73.06561	6.1
79.05498	84.3
81.03416	6.9
81.07062	98.1
83.04984	14.2
83.08614	15.9
85.06542	11.0
85.10169	3.2
87.04489	4.2
89.06028	9.5
91.05488	82.0
93.07056	100.0
95.04951	17.3
95.08614	87.2
97.06554	25.9
99.08089	6.6
103.05472	5.2
104.80997	3.3
105.07039	68.9
107.04968	19.0
107.08594	56.1
109.06512	12.4
109.10164	36.9
111.08070	9.9
115.05450	6.2
117.07037	27.8
117.09198	3.4
119.08591	84.7
119.09470	4.5
121.06483	6.1
121.10143	54.3
123.08074	29.3
123.11710	11.5
125.05994	6.9
125.09608	10.6
128.06216	8.8
129.07033	26.3
130.07816	4.7
131.08589	54.0
133.06436	6.4
133.08604	7.5
133.10129	48.4
135.08060	16.1
135.11719	20.3
137.09596	13.9
138.78241	3.9
141.06985	7.2
142.07782	9.5
143.07088	17.2
143.08594	25.5
145.06453	5.3
145.10129	45.7
147.08020	25.2
147.11700	21.6
149.09616	21.1
149.13287	9.7
151.07547	25.1
151.11209	9.1
155.08557	10.1
156.09346	8.5
157.10144	31.3
159.08061	5.8
159.11714	26.1
161.08151	5.4
161.09630	14.4
161.13223	10.6
163.11180	6.9
163.14864	7.8
165.09152	21.0
167.08565	5.3
167.10707	4.3
168.09399	4.2
169.10107	13.8
171.11664	13.7
173.09677	4.6
173.13240	19.7
174.75085	3.5
175.11298	8.6
175.14874	17.0
177.09053	5.0
177.12766	4.4
179.10744	4.2
181.10152	5.1
181.12256	5.9
183.11713	14.1
185.09532	3.8
185.13251	14.1
187.11153	6.4
187.14796	12.2
189.12817	8.8
189.16418	10.0
191.14288	6.3
193.10159	4.1
195.10165	4.2
195.11765	6.7
197.13271	7.3
199.09657	17.4
199.11281	4.2
199.14778	21.3
201.16333	9.0
203.14270	8.7
205.08698	3.6
207.11813	5.6
207.13809	8.6
209.13303	7.9
213.12794	5.1
217.15851	19.7
221.15353	37.1
223.14789	6.1
223.16826	5.1
225.16333	3.8
245.15361	15.5
247.17018	6.5
261.22055	20.3
263.16309	19.4
285.22156	6.7
299.19943	5.7
313.27441	5.1
335.25824	46.1
337.20117	25.7
485.32770	4.4
487.35367	5.0
491.34729	6.1
503.33768	4.9
523.36743	4.8
579.40179	7.1
583.41479	7.3
597.41608	85.9
615.43372	53.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.4838
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95435	0.7
55.05508	4.1
57.07078	50.3
59.04996	2.4
67.05497	2.8
69.07068	8.8
70.27025	3.0
71.08632	48.4
73.06560	6.5
74.09710	4.8
79.05499	3.4
81.07050	3.2
83.08617	3.9
85.10187	28.4
87.04468	7.4
89.06032	100.0
91.05468	3.2
93.07039	2.4
95.04994	1.4
95.08611	3.0
97.06506	1.0
97.10169	3.8
99.11735	6.6
105.07034	5.1
107.04979	1.1
107.07061	2.1
107.08589	2.8
109.06567	1.1
109.10144	1.7
111.11713	5.8
113.13274	7.1
117.06998	1.1
117.09129	8.1
119.08579	2.0
121.10159	1.6
123.08051	1.0
125.09607	1.3
125.13253	2.3
127.14823	5.0
129.06960	1.2
130.08630	1.1
131.07034	2.9
131.08566	2.0
133.08607	67.9
133.78114	0.8
137.09512	1.1
145.10149	1.3
147.10146	0.8
147.11734	0.8
149.09584	0.8
159.11713	1.6
161.11699	2.3
167.10558	1.1
171.08109	0.8
171.11694	0.9
175.09685	1.6
177.11227	27.3
179.14287	0.9
182.81355	0.7
183.11838	0.8
183.21164	1.8
199.11270	1.1
211.47978	0.7
219.12000	1.1
221.13744	5.7
227.23749	2.3
239.14728	1.2
265.16562	1.2
271.26312	3.2
283.17459	1.4
309.19080	1.4
311.37234	0.8
315.28891	4.8
320.95120	0.9
327.20071	2.0
357.70190	0.9
371.22806	1.4
415.25406	7.1
542.02490	1.0
597.45880	10.0
614.40289	1.2
614.48016	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	614.4627
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27843	0.7
53.03950	1.3
55.05503	2.6
57.03439	4.7
57.07077	5.9
58.06603	31.0
59.04995	3.4
59.07387	8.9
60.08166	6.3
61.38859	0.9
62.46459	0.8
64.87180	0.7
67.05507	8.1
69.07060	3.3
69.45752	2.7
69.46178	2.7
71.04993	1.0
71.08636	3.1
73.06536	0.7
75.04471	1.8
79.05500	3.1
81.07058	7.3
83.08616	1.2
85.02911	2.5
85.06518	0.8
85.10153	0.8
86.65523	0.7
87.04480	3.3
89.06032	7.6
91.05489	4.6
93.07027	4.3
95.04991	1.5
95.08603	13.1
97.06525	1.9
97.36892	0.8
100.11359	0.8
101.06028	1.8
105.01214	0.8
105.07036	4.6
107.08612	2.5
107.40216	0.8
109.06490	0.9
109.10187	2.3
117.07055	1.3
119.08597	2.6
121.10156	2.1
121.88187	0.9
130.69266	0.8
131.07053	1.9
133.08604	6.0
133.10158	2.2
143.08572	1.0
144.10196	13.2
145.10144	1.9
147.08194	1.1
147.11739	1.2
149.09621	0.8
149.13361	0.8
159.11780	1.4
162.11287	4.7
177.11194	2.6
196.20912	0.8
218.14003	1.7
221.15393	1.4
236.14940	78.5
271.15411	0.9
313.27411	1.5
358.22223	5.5
376.23318	8.5
412.38297	1.0
415.25452	1.8
456.36865	6.7
474.37988	12.1
511.23712	0.9
555.26123	2.7
614.46313	100.0
615.46814	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	614.3969
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	2.6
53.03939	5.6
55.01865	8.2
55.05517	17.5
57.03442	3.5
57.07082	18.9
59.05000	11.3
65.03946	7.2
67.05512	27.7
69.03443	11.2
69.07073	12.7
69.57176	3.4
69.57591	10.3
70.45294	1.7
70.86796	1.7
71.04992	6.8
71.08638	3.2
79.05499	33.9
81.03419	8.1
81.07064	45.0
83.04984	19.6
83.08627	10.7
85.06563	6.7
85.10184	2.0
87.04484	2.5
89.06028	22.9
91.05488	52.2
93.07047	37.6
95.04971	63.7
95.05577	3.9
95.08617	26.1
97.02881	2.7
97.06531	12.9
99.04457	2.1
103.05502	4.5
105.04514	3.8
105.07036	74.2
107.04987	7.5
107.08599	45.1
109.06513	18.4
109.10165	20.2
111.04478	4.4
111.08091	3.5
115.05453	9.5
116.06246	3.0
117.07019	28.6
119.04955	6.0
119.08586	54.8
121.06515	15.3
121.10146	29.3
122.07281	4.9
123.04441	2.8
123.08074	25.6
123.11697	5.8
125.06004	24.5
125.09628	2.1
128.06207	21.2
129.07018	26.7
130.07802	9.8
131.08578	35.3
132.09373	4.2
133.06471	9.4
133.08598	8.0
133.10135	31.6
135.08047	28.3
135.11707	7.2
137.05989	17.5
137.09624	6.0
138.10393	6.5
139.11165	1.7
141.07011	11.1
142.07776	16.0
143.08571	69.2
144.09373	8.7
145.06505	8.4
145.10130	63.3
145.12259	5.3
146.07288	4.3
147.08051	13.6
147.11731	10.1
148.08875	3.5
149.05995	4.3
149.09625	7.9
149.13167	2.1
150.06700	2.3
151.07613	2.6
151.11203	4.7
153.06964	6.6
154.07747	3.2
155.08580	20.0
156.09358	16.8
157.06483	2.4
157.10136	42.9
157.11330	3.3
158.07359	2.2
158.10910	16.2
159.08073	13.9
159.11703	18.7
160.08882	4.8
161.05971	2.0
161.09651	22.5
161.13350	2.8
163.07565	8.5
163.11191	20.4
165.06964	9.7
165.09145	2.4
166.07802	5.0
167.08508	11.9
167.10649	2.7
168.09402	6.4
169.06622	1.8
169.10130	25.7
170.10905	6.2
171.08125	6.6
171.11700	23.1
172.08794	3.7
173.09619	17.2
173.13211	9.2
174.10500	2.2
175.07658	3.0
175.11186	6.2
177.09103	2.3
177.11263	2.6
177.12811	2.4
178.07768	3.6
179.08592	13.4
179.10651	3.3
180.09369	8.5
181.10143	23.0
181.12222	13.5
182.10893	7.3
183.08102	7.2
183.11716	22.9
184.12411	2.8
185.09598	10.4
185.13300	8.0
186.10318	2.4
187.07596	2.6
187.11218	7.4
187.14767	2.9
188.11858	4.5
189.09138	9.2
189.12752	5.1
191.08514	3.9
191.14345	10.9
192.09286	9.2
193.10179	16.1
193.11855	2.5
194.10954	7.4
195.08066	3.5
195.11731	25.2
196.08867	5.9
196.12479	6.6
197.09605	10.2
197.13260	12.2
198.10449	3.9
198.14063	4.6
199.11165	19.7
199.14932	5.4
200.12012	3.0
201.09131	13.1
201.12817	7.4
203.08612	3.2
203.10678	4.6
203.14343	2.5
204.09468	3.5
205.10159	5.8
206.10905	10.4
207.11786	16.7
208.12488	7.2
209.09674	6.0
209.13278	17.1
210.10417	5.4
210.13969	3.3
211.11240	12.3
211.14879	8.2
212.11995	5.5
213.12820	9.5
213.16418	3.9
215.10713	4.1
215.14290	2.2
216.09500	2.0
216.11441	7.4
217.10223	4.9
217.12201	3.3
217.15753	3.0
218.10966	3.6
219.11699	6.6
220.12497	6.8
221.09669	2.3
221.13298	17.6
221.15196	2.4
223.11179	7.4
223.14867	8.0
225.12755	8.5
225.16339	2.8
227.10727	3.3
227.14304	14.0
229.10158	2.7
229.12315	4.2
230.11035	4.5
231.11800	4.2
231.13869	3.1
232.12479	6.4
233.13136	10.1
235.11174	4.9
235.14827	11.9
237.12843	5.7
237.16402	4.1
239.14211	4.3
241.12216	3.5
241.15891	2.9
243.11794	3.7
244.12585	2.7
245.13306	9.6
245.15295	4.1
246.14012	5.3
247.11317	3.6
247.14787	8.1
248.08307	2.0
248.15488	2.2
249.12630	4.5
249.16403	3.7
251.14281	5.2
251.17920	2.1
253.15945	7.1
255.17351	2.6
257.13394	2.5
259.14819	3.0
261.16379	6.4
263.11691	2.0
263.14365	5.2
263.17929	2.5
265.15842	5.6
271.14542	2.5
271.17050	4.9
273.12814	2.0
273.16135	2.7
273.18591	29.7
275.14352	3.5
277.15860	5.6
278.16510	2.4
279.17474	4.8
286.19412	10.4
287.14398	2.7
291.21091	3.1
299.20337	4.3
305.17477	23.4
309.22305	3.0
312.20816	3.4
313.27405	5.4
319.20651	4.8
331.19138	26.6
337.21603	14.8
337.27466	5.3
338.22031	3.0
339.21341	2.1
352.24005	96.8
357.20972	3.1
363.23248	2.0
364.23999	3.5
367.22855	4.0
369.20770	3.9
376.24127	2.6
383.22354	4.1
384.22934	58.3
385.23526	4.0
395.22281	3.4
397.23746	10.5
398.85944	2.0
415.25525	3.8
429.28217	3.6
444.30289	10.6
459.28790	3.5
466.27081	2.2
475.28339	3.4
476.29202	39.9
522.33148	11.8
529.38965	4.0
582.28033	2.7
614.31049	5.8
614.39600	100.0
615.39471	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	613.4825
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.3
55.01867	2.1
55.05271	1.3
55.05512	17.8
57.03438	6.3
57.07074	8.4
59.04996	1.0
61.10867	0.9
62.17397	0.8
65.03937	2.2
67.05505	53.1
69.06499	0.9
69.07069	20.6
69.55563	4.7
71.04977	1.3
71.08639	6.1
79.05495	30.4
79.47173	0.8
81.03410	1.3
81.07057	54.9
83.04996	2.2
83.08150	1.2
83.08616	11.0
85.06527	1.9
85.10201	2.0
89.06012	1.1
91.05486	26.2
93.07043	35.2
95.04967	2.8
95.08609	46.3
97.06526	3.6
97.10169	6.2
99.08105	3.0
105.04547	1.4
105.07028	26.1
107.04962	1.5
107.08592	21.0
109.06539	1.5
109.10159	22.2
110.12487	0.9
111.08105	1.6
111.11711	1.5
112.69609	0.7
115.05419	1.8
117.07006	12.1
119.08583	24.3
121.06532	1.1
121.10151	17.9
123.08081	2.2
123.11714	10.4
125.09617	1.5
128.06241	1.4
129.07016	4.5
130.07793	0.9
131.08563	17.2
133.10123	19.9
133.11092	1.1
135.08025	0.9
135.11693	12.1
137.09624	1.1
137.13283	3.3
141.06967	2.0
143.08589	6.1
145.10121	16.0
147.11687	15.5
149.09621	1.4
149.13261	7.9
151.11253	1.4
151.14830	1.5
155.08556	2.0
157.10091	5.8
159.11685	13.2
161.13251	8.8
163.11142	1.4
163.14796	4.2
165.12729	1.1
167.08623	1.0
169.10143	3.6
171.11678	6.2
173.13260	12.6
175.14795	5.1
177.16426	1.9
181.10106	1.6
183.11716	2.0
185.13277	5.0
187.14806	6.4
189.16449	2.7
195.11769	1.1
197.13232	2.0
199.14883	3.1
201.16417	4.4
203.17961	1.6
211.14932	1.4
213.16432	3.0
215.17999	2.9
217.15868	1.3
217.19601	1.5
219.17496	1.4
225.16396	1.5
241.19638	1.9
243.21114	2.5
245.22713	1.4
247.20563	1.0
259.20544	7.8
261.22113	8.0
263.23843	1.8
273.22107	1.6
277.21765	1.4
283.20560	1.7
285.22147	1.6
299.23874	1.2
301.21661	2.4
301.25378	1.2
313.27744	4.9
315.23206	0.9
317.24844	1.7
319.22702	1.0
327.27209	1.1
333.24350	4.5
335.25723	12.9
337.27463	9.6
451.35532	0.9
489.35535	1.2
503.37231	1.4
517.38916	1.4
521.43677	5.5
529.38971	1.3
531.40723	1.0
539.44745	2.4
543.40759	2.4
595.47308	11.2
613.48248	100.0
614.48572	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	613.4825
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03939	3.3
53.77854	1.3
55.01861	1.7
55.05512	19.8
57.03434	4.7
57.07075	10.0
59.04990	1.8
65.03941	2.3
66.18034	1.1
67.05503	52.2
67.39767	1.1
69.07068	18.3
69.19850	11.5
71.04978	1.2
71.08641	8.8
78.67339	1.1
79.05493	31.6
81.07056	54.0
83.04990	2.9
83.08609	10.2
85.06538	2.4
85.10186	2.8
89.06048	1.4
91.05471	25.9
93.07040	37.0
95.04964	3.0
95.08607	47.6
97.06532	4.4
97.10176	7.3
99.08101	3.6
103.05504	1.4
105.07027	23.8
107.08595	24.9
109.06533	3.4
109.10154	23.5
115.05469	1.9
117.07001	10.1
119.08580	21.6
121.10147	18.0
123.11734	9.0
125.09647	1.4
129.07021	5.7
130.07787	1.8
131.08563	20.3
133.10130	17.1
135.07982	1.9
135.11699	13.7
137.05991	5.0
137.13292	5.4
141.07095	1.2
143.08611	5.3
145.10132	20.0
147.08040	2.0
147.11710	13.8
149.09676	2.1
149.13243	8.7
151.11192	2.8
151.14893	1.7
155.08537	2.5
157.10115	6.7
159.11685	12.8
161.09647	1.9
161.13246	10.6
163.11279	1.6
163.14859	4.2
169.10139	4.6
171.11719	8.0
173.13297	12.4
175.14812	6.2
177.16460	2.2
181.10190	2.3
183.11736	3.2
185.13229	6.0
187.14876	4.6
191.14377	2.1
195.11801	2.6
197.13318	2.3
199.14877	4.1
201.16425	2.7
203.17854	1.4
207.13463	1.3
209.13426	1.3
211.14894	1.7
213.16486	1.6
215.17917	2.0
225.16443	1.4
231.17664	1.4
241.19627	5.3
243.21170	3.6
259.20581	6.4
261.22232	8.5
277.18164	3.8
277.21487	2.0
283.20651	2.5
285.22223	1.4
301.21762	2.8
301.25040	1.4
313.27682	8.9
317.24637	1.8
319.22885	1.4
327.26978	1.6
333.24155	6.6
335.25815	14.2
337.27429	7.3
435.31577	1.3
489.35736	1.9
521.43976	5.7
539.44965	2.3
595.47186	11.8
613.48297	100.0
614.48645	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	613.4827
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03948	4.3
54.23783	1.1
55.01882	2.1
55.05512	23.7
57.03439	7.9
57.07078	9.5
59.04989	1.1
64.31545	1.2
65.03942	4.0
65.53735	1.1
66.08564	1.0
67.05508	66.1
67.37199	1.1
69.03470	1.2
69.07068	26.0
69.45631	2.4
69.46037	5.4
71.04994	2.4
71.08629	4.8
75.31796	1.1
77.03922	1.2
79.05495	38.8
80.78621	1.1
81.07059	74.7
83.05001	1.7
83.08628	12.2
85.06539	2.0
85.10218	1.3
91.05486	28.1
91.06022	1.8
93.07045	48.5
95.04963	3.3
95.08609	65.6
95.35690	1.1
97.06550	3.7
97.10159	7.4
99.08112	3.7
105.07035	33.5
107.08599	27.5
109.06544	1.6
109.10165	31.6
111.08089	2.4
111.11732	2.1
117.07011	16.4
119.08585	30.8
121.10144	23.8
123.08056	1.7
123.11720	11.8
125.09633	1.9
128.06287	1.9
129.07048	5.1
131.08563	25.2
133.10144	23.2
135.11694	19.5
137.09698	1.1
137.13272	4.0
139.11153	1.2
141.07013	3.1
143.08556	9.4
145.10141	22.5
147.11684	19.8
149.13272	10.4
151.11201	2.3
151.14816	1.3
155.08566	2.3
157.10139	9.1
159.11693	17.2
161.13258	11.9
163.11177	1.3
163.14844	6.6
169.10162	4.1
171.11726	9.2
173.13264	13.1
175.14801	6.5
177.16365	2.5
181.10155	1.4
183.11758	4.0
185.13251	6.2
187.14864	8.3
189.16438	4.1
190.73862	1.3
191.18065	1.4
197.13290	2.0
199.14871	5.1
201.16487	4.3
203.18013	1.6
211.14842	1.8
213.16531	2.3
215.17979	3.4
217.19592	2.7
225.16431	1.8
229.19478	1.8
231.21193	1.6
241.19606	4.2
243.21008	2.4
257.19064	1.4
259.20587	10.1
261.22128	10.5
263.23697	2.2
273.22198	2.2
275.20078	1.4
275.23950	1.3
285.22214	1.9
287.23831	2.5
290.22906	1.3
299.23630	2.6
301.25122	1.3
309.24493	1.7
313.27576	2.4
315.23068	1.6
315.26706	1.3
317.24646	2.8
321.24219	1.7
327.26785	1.2
333.24203	6.6
335.25809	16.5
337.27295	9.2
451.35684	1.6
489.36301	1.9
503.36877	1.4
517.39240	1.3
521.43713	6.8
529.38623	1.5
539.44824	3.3
543.40039	2.7
595.47162	12.0
613.48285	100.0
614.48743	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	612.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97117	0.5
52.03156	0.6
53.03746	0.6
53.03944	6.3
55.01854	1.2
55.05515	1.1
57.03430	1.6
57.47018	0.5
59.99111	3.9
61.02922	1.2
63.72627	0.5
67.01862	2.7
67.05494	1.0
68.99792	1.0
69.03429	30.3
71.04993	3.5
71.19294	1.0
72.08159	1.0
73.02934	0.9
73.06548	3.2
73.63315	0.7
75.51812	0.5
79.05488	2.3
81.03419	58.1
81.07044	1.0
82.03717	0.7
83.01345	0.9
85.02905	20.0
86.06062	3.6
87.00819	7.0
91.05451	1.2
95.04997	0.6
97.02895	31.1
97.06514	0.6
99.04455	12.3
102.00171	1.1
102.03783	1.0
102.99664	1.2
103.03960	0.7
105.01849	1.3
105.07021	0.6
106.06555	39.2
107.04936	0.8
109.02881	100.0
111.00838	0.8
127.03918	62.8
132.04793	10.6
134.06056	1.8
135.08089	0.6
139.03908	4.8
145.05109	2.8
157.13353	2.7
166.37035	0.5
168.01123	0.8
169.04961	18.8
171.02876	1.5
187.06020	36.4
191.11729	1.1
208.05466	2.2
213.03918	3.6
217.10075	4.1
230.01077	0.9
231.04999	20.7
250.10052	1.7
255.05115	0.9
273.06052	27.1
280.11237	2.1
288.37640	0.6
291.07086	31.0
362.14569	1.4
422.11267	2.4
424.74921	0.6
507.16501	7.2
612.22290	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10843	1.3
52.74461	1.7
53.03947	2.5
53.83742	1.5
55.05496	5.4
57.03441	3.2
57.07083	2.7
59.04990	2.0
67.05508	17.1
69.07062	9.9
71.04984	2.5
73.02917	1.6
78.32518	1.4
79.05496	17.9
81.03404	2.2
81.07057	19.8
83.04974	2.0
83.08611	1.8
84.93361	1.4
85.06572	2.8
89.06058	3.1
91.05483	20.6
93.07045	19.7
95.04979	5.1
95.08612	14.1
97.06531	7.7
99.04391	1.7
100.22662	1.3
105.04528	1.8
105.07036	16.7
107.04979	3.5
107.08607	8.9
109.06556	3.8
109.10174	9.5
113.06035	2.5
117.07029	7.6
119.08559	11.1
121.06519	4.4
121.10169	8.2
123.08083	3.7
125.06017	1.9
125.09570	1.8
128.06248	2.0
128.09758	1.4
129.07040	4.4
131.08580	8.5
133.10133	7.4
135.08055	2.8
135.11688	2.5
137.09688	3.6
143.08595	4.2
145.10144	10.1
147.08086	3.0
147.11703	4.3
149.09651	4.7
151.11163	2.2
155.08557	3.6
157.10147	4.2
159.08043	3.2
159.11755	3.8
161.09648	3.6
161.13185	1.6
163.11171	1.8
169.10178	2.3
171.11740	4.9
173.09680	2.4
181.09973	2.2
183.11783	2.3
185.13284	1.6
187.14877	3.6
191.14302	1.9
197.13319	4.3
199.11201	3.6
199.14923	2.4
205.15916	1.7
215.14342	4.6
221.15317	2.3
225.12773	1.6
233.15413	3.5
235.12521	1.9
237.13962	1.8
243.13872	3.2
257.19382	1.6
261.14792	2.9
273.18680	1.6
275.20160	3.6
279.15988	1.8
307.22729	2.4
335.18646	1.9
335.25824	3.2
363.16232	2.3
366.19302	2.1
378.18823	2.7
392.20526	1.8
408.19516	2.1
419.18668	2.2
421.20471	5.7
423.22379	1.8
425.19629	3.8
435.22400	2.8
436.22620	2.4
437.23483	4.6
439.21222	10.2
440.22366	1.8
447.21945	2.5
449.23846	2.6
450.18185	3.0
450.24338	1.8
453.23135	1.9
455.24170	2.8
463.20612	3.1
463.26074	2.6
465.23138	2.5
469.22507	2.4
475.21536	4.8
476.21863	2.5
484.24643	1.6
491.24606	2.8
509.25177	2.6
511.23331	2.1
512.24677	2.0
523.27191	27.6
524.27637	3.2
526.26282	7.8
541.28143	89.2
550.24713	2.4
551.26318	9.7
552.25073	3.8
568.98798	1.7
569.27661	20.3
577.24329	3.5
595.25494	6.7
595.39990	5.3
613.26642	100.0
613.41321	9.2
614.27106	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.7
55.05510	17.2
57.03443	7.0
57.07075	9.9
59.04987	3.2
65.03943	2.9
67.05506	55.5
69.03435	1.5
69.07070	20.5
69.18731	12.3
71.04979	2.2
71.08634	6.0
73.06548	1.4
79.05496	38.1
81.03440	1.3
81.07058	50.9
83.04990	2.1
83.08622	10.7
85.06564	2.8
85.10198	3.3
87.04488	1.7
87.93831	1.2
89.06037	16.5
90.18193	1.1
91.05479	34.5
93.06126	1.2
93.07043	42.7
95.04966	3.2
95.08604	43.9
97.06527	3.0
97.10164	6.1
98.21534	2.0
99.08105	2.4
105.07031	36.5
107.08587	23.4
109.06538	1.7
109.10159	19.1
110.42642	1.3
113.39812	1.2
115.05451	1.7
117.07026	15.4
119.08582	30.5
121.10135	21.0
123.08080	1.1
123.11736	6.0
128.06207	2.6
129.06995	9.2
130.07765	1.8
131.08571	26.9
133.08638	6.6
133.10141	27.9
135.08167	1.3
135.11693	13.3
136.12112	1.2
137.13254	1.2
141.06993	3.8
142.07796	2.2
143.08560	13.7
145.10124	21.5
147.11678	22.6
149.13295	8.3
155.08557	7.1
157.10143	15.2
159.11681	21.0
159.62119	1.1
161.13252	14.1
163.14880	3.4
167.08531	2.4
169.10147	8.5
171.11656	13.6
173.13239	14.0
175.11320	1.2
175.14835	8.8
181.10121	2.4
183.11736	9.3
185.13268	11.9
187.14825	7.5
189.16487	2.0
195.11711	3.3
197.13226	5.9
199.14807	8.3
200.60565	1.1
201.16440	3.3
203.17999	1.4
209.13272	2.4
211.14871	3.6
213.16438	4.0
215.18059	2.2
223.14903	2.4
225.16368	2.2
227.17992	2.3
229.19458	2.1
239.17987	3.4
241.19670	10.1
245.19217	1.3
257.19119	4.6
259.20618	17.7
261.22256	4.1
272.28525	1.2
287.20087	1.4
297.22052	1.9
311.23483	1.3
313.21451	1.3
315.23309	2.2
317.28326	1.4
331.22720	1.6
333.24289	9.8
335.25790	20.8
337.27704	2.2
339.27032	1.5
351.24899	1.4
364.79330	1.2
519.41736	6.1
537.43347	2.0
541.38995	2.7
593.45874	8.7
611.46698	100.0
612.47546	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	611.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.5
53.72635	0.9
54.48668	1.3
55.01870	1.1
55.05512	19.6
57.03432	5.8
57.07073	2.2
59.04993	1.6
65.03942	3.3
67.05505	45.1
69.07067	18.9
69.46666	2.0
69.47074	5.2
71.04987	3.3
71.08637	1.4
77.03934	1.8
77.82657	1.1
79.05495	36.7
81.01608	1.2
81.07053	44.9
81.07536	2.2
83.04960	2.1
83.08621	7.6
85.06545	2.7
90.87833	1.1
91.05481	34.4
91.06019	2.1
93.07047	42.4
95.04964	2.6
95.08605	40.9
97.06561	2.1
97.10168	4.8
97.93172	1.1
99.08091	1.7
105.04538	1.6
105.07033	31.6
107.08591	22.4
109.06534	1.5
109.10153	18.0
111.08044	1.4
115.05420	2.3
117.07027	13.9
119.08575	32.1
121.10158	18.8
121.10960	0.8
123.08112	1.9
123.11704	5.5
125.09650	2.3
126.59376	1.1
128.06235	2.2
129.07011	9.1
130.07819	1.4
131.08571	24.1
133.10130	21.3
134.86690	1.2
135.07990	1.2
135.11700	13.0
137.09593	1.8
137.13278	2.1
141.06998	3.3
142.07796	2.9
143.08556	15.6
144.09349	1.4
145.10120	27.5
146.16212	1.0
147.11697	22.7
149.12244	1.4
149.13248	6.8
155.08591	4.8
156.09352	1.9
157.10139	11.4
159.11690	19.3
161.13239	13.7
163.14874	2.5
167.08615	1.8
169.10114	8.0
171.11682	11.9
173.13264	12.6
175.14833	6.7
181.10118	3.7
183.11742	5.3
185.13289	10.5
187.14780	5.6
195.11751	3.6
197.13298	6.3
199.14841	7.3
201.16437	4.5
207.11720	1.8
209.13330	2.8
211.14880	3.0
213.16473	3.5
215.17879	2.8
223.14932	1.8
225.16505	1.9
227.17996	2.3
229.15982	1.4
229.19545	1.6
231.21156	2.3
239.18083	1.8
241.19562	10.1
243.17719	1.1
243.21266	1.2
253.19698	1.3
257.19028	3.6
259.20551	16.4
261.22269	4.2
263.23660	1.3
273.22095	1.6
275.20224	1.3
277.21875	1.1
299.23761	1.8
311.23630	2.5
315.23102	2.1
333.24277	10.3
335.25787	16.1
337.27124	1.2
353.28513	2.2
367.30261	1.3
431.33282	1.2
489.35767	1.4
519.42053	7.4
537.43091	3.3
541.38983	1.3
553.18756	1.1
593.45599	7.6
611.46698	100.0
612.46826	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15559	0.4
51.75620	0.5
51.76167	0.5
52.92955	0.5
55.05509	2.9
57.03436	0.6
57.07055	0.7
59.04987	0.6
59.32838	0.5
67.05502	10.1
69.07054	3.2
71.04986	1.8
71.49503	0.7
73.04768	0.6
79.05489	5.0
81.03412	0.8
81.06598	1.0
81.07053	14.8
83.08627	3.2
85.06540	2.0
87.72476	0.5
91.05453	8.5
93.07039	6.0
95.04989	0.7
95.08608	14.1
97.02911	0.9
97.06535	0.6
97.10157	1.7
98.09699	0.6
105.07023	2.3
107.04956	0.7
107.08582	3.1
109.10165	6.5
109.38153	0.5
111.11740	0.7
115.28670	0.5
117.07027	1.1
119.04943	17.6
119.08581	0.9
121.02913	0.5
121.10148	5.5
121.87886	0.6
123.11698	2.1
131.08556	0.8
133.10126	1.3
135.11694	5.0
137.09625	0.6
137.13222	1.2
145.10126	0.6
147.04410	100.0
148.04750	0.9
149.13274	1.9
151.14789	1.6
157.10197	0.9
159.07951	0.5
163.14821	0.7
165.05484	3.7
165.16426	1.3
174.61501	0.5
213.36819	0.6
220.12923	0.6
247.24239	2.7
265.25250	1.7
283.26279	3.0
303.05042	1.1
356.07373	0.7
391.68381	0.6
467.25504	2.6
495.28613	1.9
610.10419	0.7
611.39154	1.4
611.48511	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3044
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.6
55.05521	0.7
56.19224	0.3
57.02619	0.4
57.03447	0.6
63.45694	0.4
67.05514	0.7
69.03427	0.8
69.07083	0.7
69.81763	1.8
73.04758	0.4
73.75378	0.4
79.05497	0.8
81.03431	1.5
81.07059	1.6
85.02914	1.2
91.05477	1.0
91.12724	0.3
93.07043	1.0
95.04977	0.5
97.02907	0.5
97.06568	0.5
105.07034	0.5
109.02908	0.4
109.10147	0.4
117.05523	1.5
121.10176	0.6
123.11702	0.5
127.03934	0.7
137.05986	0.5
137.09708	0.4
139.08495	0.4
151.42775	0.4
163.03944	1.0
167.35347	0.5
197.65550	0.4
229.04922	0.5
296.96286	0.4
303.05234	0.8
327.25473	0.5
345.23822	0.9
363.25095	7.0
391.24646	1.4
405.26102	0.8
449.25287	0.8
507.29425	2.4
525.30389	15.8
549.30670	1.6
567.31445	25.4
593.29218	1.4
611.30444	100.0
612.31128	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71357	1.8
53.03934	4.3
55.01852	2.6
55.05515	16.0
57.03426	5.2
57.07064	4.4
58.73201	1.7
62.85494	1.6
67.05505	16.2
69.03428	6.3
69.07066	24.8
69.26845	1.6
70.41428	3.2
71.04988	2.5
79.05502	10.3
81.03420	9.6
81.07059	25.6
83.04934	2.0
83.08625	16.2
85.02918	13.1
85.06561	3.1
87.00832	3.1
91.05504	9.6
93.07055	12.5
95.04993	2.4
95.08624	20.6
97.02891	6.7
97.06541	4.4
97.10150	10.1
99.04473	4.0
99.11810	1.8
105.07031	8.4
107.08567	6.8
109.02897	4.6
109.10155	11.4
111.11717	6.1
117.26041	1.7
119.08585	8.0
121.10169	12.3
123.11750	3.5
125.09620	3.0
127.03940	11.7
133.10132	7.4
135.11661	9.5
137.13162	2.6
147.11678	6.9
151.11148	1.9
151.14854	2.3
153.12746	1.8
159.02820	2.0
161.13248	5.6
163.03981	3.0
163.07558	2.2
217.19499	9.0
226.93298	1.8
227.10458	1.8
231.05038	3.0
235.20505	7.8
253.21574	12.1
303.05136	9.3
309.24100	5.3
327.25311	100.0
345.26590	11.4
348.35178	1.7
567.31476	2.4
611.30768	14.3
624.95770	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1611
Annotation	Multinoside A
Peak:m/z	Relative Intensity
55.01858	1.7
57.03412	4.1
61.02928	2.6
63.69936	1.3
69.03432	13.6
70.06567	2.7
71.04617	1.6
71.04990	21.9
71.48819	2.3
73.02876	1.3
75.04462	2.0
75.04896	1.3
81.03403	2.8
83.04979	2.3
85.02902	46.6
87.04461	2.1
90.64081	1.4
97.02876	5.3
97.06501	3.3
99.56290	1.3
109.02911	2.1
111.04443	2.7
121.02833	1.6
121.10184	1.4
123.04413	2.2
127.03915	4.2
129.05507	9.9
137.02354	12.6
137.05937	3.5
147.04381	1.5
147.06494	2.7
149.02330	2.2
153.01767	1.9
163.03876	3.4
187.03886	1.7
201.05388	2.6
229.04984	4.8
233.11668	2.6
241.05165	1.4
247.05881	1.8
250.14449	2.3
253.04918	1.7
257.04517	2.4
272.52011	1.4
275.05267	1.8
299.05573	6.7
302.04126	3.8
303.04971	100.0
304.05130	1.6
315.04950	25.8
316.05746	5.2
323.06110	1.9
327.04941	11.6
329.06461	1.9
341.06467	5.4
345.06042	68.2
353.06476	2.5
367.08081	1.9
369.06012	15.6
377.58145	1.5
395.07742	7.7
413.08658	20.1
431.09634	13.2
449.10742	24.2
574.30676	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1608
Annotation	Quercetin-3-O-beta-glucopyranosyl-7-O-alpha-rhamnopyranoside
Peak:m/z	Relative Intensity
53.03926	0.5
56.19448	0.3
57.03440	2.2
61.02913	0.6
68.99779	0.6
69.03435	2.3
69.51285	2.1
71.04998	12.0
73.02923	0.4
73.72090	0.3
75.04449	0.5
81.03450	1.7
84.71078	0.3
85.02909	17.2
87.04445	0.5
88.83987	0.3
97.02891	2.2
98.20776	0.7
98.26015	0.4
99.04421	0.7
102.38831	0.3
104.54496	0.3
109.02835	0.8
111.00829	0.8
111.04424	0.4
121.02879	2.7
127.03905	0.8
128.28217	0.3
129.05476	2.7
133.02837	0.4
137.02333	2.2
145.04996	0.7
147.06454	0.4
153.01833	4.4
157.06453	0.5
161.05984	0.4
163.03931	0.4
165.01869	2.0
182.90388	0.4
183.02896	0.9
185.05972	0.4
201.05388	0.5
213.05486	0.9
219.06670	0.4
221.03366	0.3
229.04945	2.1
231.06490	0.6
241.04944	1.0
257.04514	1.9
258.05212	0.7
285.03839	0.6
287.05515	100.0
288.05890	1.5
303.05008	60.0
304.05405	0.9
326.38342	0.3
341.46841	0.3
364.21149	0.7
449.10764	5.7
465.10312	8.5
469.17575	0.3
500.07614	0.3
549.09784	0.4
595.81097	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1607
Annotation	Rutine
Peak:m/z	Relative Intensity
52.98564	0.2
53.03947	0.4
55.05489	0.3
57.03438	2.1
59.19139	0.2
59.45615	0.2
59.93764	0.2
60.51826	0.2
61.02916	0.6
69.03432	1.3
69.95300	0.9
71.04610	0.5
71.04995	10.7
73.02906	0.4
75.04470	0.5
81.03403	0.9
83.04965	0.7
85.02909	15.1
87.04459	0.4
97.02904	1.9
98.20765	0.3
99.04490	0.3
109.02856	0.6
111.00790	0.9
111.04446	0.5
121.02869	0.8
123.04427	0.3
127.03905	0.8
129.05484	3.8
137.02345	2.3
145.04951	0.7
147.06540	1.0
153.01819	3.3
161.05922	0.3
163.03925	0.5
163.16399	0.2
165.01860	1.9
183.02853	0.6
183.04414	0.4
187.03918	0.3
201.05455	1.6
219.06480	0.4
221.52402	0.2
225.19289	0.2
229.04961	3.5
247.05995	0.5
257.04443	2.3
274.04620	0.6
279.15738	0.3
285.03931	1.4
287.05493	0.3
303.04999	100.0
304.05344	1.3
345.06036	0.3
353.31122	0.2
465.09995	0.6
476.13110	0.3
562.57019	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.161
Annotation	Rutine
Peak:m/z	Relative Intensity
50.79749	0.2
53.03941	0.4
55.01875	0.4
57.03442	1.5
58.54982	0.2
58.73338	0.2
61.02913	0.3
62.50813	0.2
68.99780	0.6
69.03441	1.2
69.03755	0.3
69.91708	0.9
70.06602	0.2
71.04998	11.2
73.02905	0.5
75.04458	0.6
75.42126	0.2
76.56564	0.2
80.37061	0.2
81.03419	0.6
83.04974	0.5
84.08142	0.2
85.02910	15.5
87.04466	0.4
97.02895	1.3
97.06534	0.6
98.20808	0.3
99.04403	0.4
109.02859	0.7
111.00792	0.9
111.04420	0.5
121.02871	0.8
127.03912	1.0
129.05475	3.5
129.10213	0.2
131.04938	0.4
135.04398	0.3
137.02344	2.1
137.05991	0.9
145.04948	0.7
147.06499	0.8
149.02426	0.3
150.82213	0.2
153.01820	2.8
161.06042	0.3
163.03891	0.9
165.01833	1.5
166.02591	0.4
173.05971	0.3
183.02875	0.6
183.04308	0.2
187.03912	0.2
201.05510	1.3
213.05516	0.3
229.04967	3.3
233.11670	0.4
234.12143	0.3
247.05956	0.5
250.14371	0.5
257.04428	2.0
274.04703	0.6
285.03897	1.0
287.05554	2.5
303.04999	100.0
304.05319	1.6
315.04861	0.4
345.05960	0.6
360.34702	0.2
369.06232	0.4
465.10281	0.6
517.21478	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
57.03447	2.2
61.02921	0.8
68.99784	0.6
69.03419	1.4
71.04991	11.0
71.08029	0.7
71.08369	0.6
81.03424	1.2
83.04988	0.6
84.54108	0.4
85.02906	16.0
87.04486	0.5
89.10233	0.4
95.04997	0.5
97.02888	1.5
97.06524	0.7
98.43565	0.4
109.02898	0.6
109.84308	0.4
111.00806	0.8
121.02832	0.7
123.04382	0.6
127.03920	1.0
129.05486	4.0
137.02361	3.4
137.05954	1.1
138.06329	0.5
145.04944	1.1
147.04411	0.4
147.06560	0.9
153.01857	3.1
163.03909	1.2
165.01846	1.6
166.02588	0.4
174.67668	0.4
177.05414	0.5
183.03000	0.5
188.37813	0.5
201.05522	1.1
229.04938	4.7
233.11743	1.0
247.06129	0.7
250.14372	0.8
257.04504	2.5
261.31674	0.4
274.04727	0.7
285.03860	1.1
303.04990	100.0
304.05231	2.2
345.06348	0.6
399.04660	0.5
400.15274	0.4
539.10046	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.08232	0.7
67.87450	0.8
70.20414	2.9
79.87720	0.8
93.90649	0.7
94.93021	1.2
98.21404	1.1
114.74124	0.8
129.78508	0.7
136.94002	2.4
176.93480	1.4
192.96393	0.8
199.64000	0.9
204.07416	0.8
210.94969	0.8
213.47957	0.8
218.79164	0.7
268.94830	5.3
268.98248	100.0
328.99350	0.9
381.07843	5.1
461.21298	0.8
485.12210	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4516
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	2.1
50.93146	1.7
51.02390	1.7
53.03954	9.3
55.01876	9.0
55.05273	2.4
55.05515	28.4
57.03441	12.0
57.07065	4.3
59.04990	4.2
59.74587	1.7
65.03943	5.3
67.05508	83.6
69.07075	32.5
70.32138	4.7
71.04996	5.5
79.05497	82.2
79.72064	1.7
81.03426	8.7
81.07060	87.7
83.04987	8.7
83.08639	14.4
85.06564	5.9
89.06042	5.4
91.05485	79.1
93.07050	85.9
95.01341	6.5
95.04980	12.9
95.08617	54.8
97.02756	1.9
97.06535	16.1
97.10192	5.9
99.04459	3.5
99.08108	3.6
103.05471	3.9
105.04517	3.0
105.07043	74.7
107.04955	11.2
107.08599	36.8
109.06561	10.2
109.10164	20.3
111.08094	5.9
115.05477	3.5
117.07024	27.7
119.08585	55.0
121.06519	3.0
121.10146	29.2
123.08112	6.5
123.11683	4.9
128.06221	3.4
129.07024	9.8
130.07800	3.0
131.08592	39.0
133.10146	41.1
135.08102	5.4
135.11705	18.9
137.09618	4.3
141.07022	2.9
143.08577	8.1
145.10130	30.7
147.11725	19.9
149.09647	7.4
149.13242	8.9
155.08609	5.0
157.10175	8.3
159.11694	17.0
161.13277	9.4
163.11180	4.7
163.14952	2.6
165.09143	3.1
165.12750	2.6
169.10159	5.5
171.11758	8.4
173.13281	11.7
175.14857	4.1
177.12770	2.1
179.14308	8.1
181.10002	2.4
183.11720	7.6
185.13281	5.8
187.14917	3.6
195.11865	2.1
197.13289	5.4
199.14922	2.6
201.16478	4.1
203.14275	5.1
215.17943	2.9
219.17459	91.0
229.19641	3.0
239.17941	4.6
247.20651	3.5
257.19009	16.2
259.20398	2.8
261.22388	3.7
275.20084	71.7
293.21176	5.4
313.21954	2.0
331.22760	2.5
335.26065	5.2
349.23993	2.7
517.40765	2.5
535.41919	2.2
591.44208	2.7
609.26910	8.6
609.45172	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4512
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.8
53.03945	10.0
55.01875	9.9
55.05510	28.6
57.03440	9.9
57.07080	3.5
59.04995	5.1
60.56885	1.3
62.91820	1.4
65.03928	6.1
67.05505	79.6
69.03424	4.1
69.07069	36.1
69.42838	1.4
71.04989	2.8
71.08638	2.1
71.49565	2.3
71.49947	1.6
77.03951	1.8
79.05492	81.1
81.03420	6.1
81.07056	85.3
83.04979	8.4
83.08605	9.0
85.06534	3.9
89.06045	3.5
91.05479	93.8
93.07046	85.3
95.01324	9.8
95.04962	12.4
95.08607	60.4
97.06522	19.6
97.10184	5.9
99.04454	2.7
99.08080	2.8
103.05502	2.2
105.04524	4.0
105.07032	87.7
107.04960	15.9
107.08590	36.3
109.06533	9.3
109.10157	15.4
111.08118	5.0
115.05463	3.1
117.07021	25.4
119.08582	55.0
121.06505	3.7
121.10143	25.5
123.08105	5.2
123.11726	4.2
129.07021	4.0
130.07790	1.8
131.08556	35.5
133.10138	46.5
135.08095	4.0
135.11674	14.5
137.09633	3.4
141.06987	2.5
143.08557	8.1
145.06473	2.2
145.10130	28.0
147.08109	1.4
147.11668	21.9
149.09645	6.3
149.13274	7.2
151.11162	1.7
153.12695	1.7
155.08582	3.4
157.10185	5.0
159.11687	17.3
161.13249	8.3
163.11214	4.2
163.14795	2.0
165.09239	2.1
165.12787	1.5
169.10147	2.3
171.11757	3.9
173.13240	6.8
175.14851	2.2
177.12759	2.4
179.14331	16.9
183.11697	2.4
185.13271	3.6
187.11255	2.9
187.14844	2.6
197.13350	3.4
201.16402	5.6
203.14435	2.3
205.12358	1.9
219.17444	88.9
229.19519	3.0
239.18100	2.2
247.20621	2.8
257.19031	9.5
261.22296	2.6
275.20065	100.0
293.21198	6.5
317.24716	1.4
335.25931	1.7
349.23917	3.5
609.45117	76.5
610.45258	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	609.2712
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
54.21901	0.5
55.05507	0.8
67.05503	2.5
67.05851	0.6
69.07051	1.0
72.53638	0.5
79.05480	2.6
81.07054	1.8
91.05479	0.7
93.07058	2.3
95.08617	1.5
105.07040	1.9
107.08582	1.4
121.10123	0.7
131.08551	1.1
133.10161	0.8
145.10155	1.3
157.10135	0.6
159.11705	0.6
183.11729	0.6
223.12549	0.7
229.48259	0.5
275.20169	1.8
286.13406	0.6
289.78885	0.6
376.17499	0.7
377.17755	1.1
389.18225	1.1
390.18835	1.5
391.19217	2.3
392.20007	1.3
401.17569	1.6
402.19498	0.6
404.20596	0.8
405.21017	3.4
406.21649	2.0
407.22266	3.3
413.17981	0.9
414.18747	1.2
415.19290	2.1
417.16544	0.6
418.22015	0.8
419.18311	1.2
419.23016	1.2
420.23492	0.6
421.23993	4.5
422.24713	0.9
427.19278	0.9
428.19983	1.0
429.20868	2.3
430.21771	1.5
431.18118	1.1
433.15866	0.9
433.20462	0.9
441.20923	0.6
442.21884	0.6
443.22821	1.2
444.23236	1.6
445.20438	0.8
447.18314	2.4
448.18588	0.7
457.24686	2.9
459.21802	2.2
460.23264	1.0
461.19333	6.7
462.20428	2.2
463.21365	2.0
470.21353	1.1
471.17831	0.7
472.22989	1.1
474.20453	1.0
475.20996	7.8
476.21844	8.5
477.22629	5.0
485.23688	9.2
486.20401	4.3
488.22241	0.9
489.22922	5.7
493.22055	1.0
494.26465	1.0
499.21484	2.8
500.22229	2.1
503.24530	6.4
504.24625	1.0
507.23492	0.7
513.22760	1.3
515.24384	8.4
521.26068	3.8
531.23932	17.7
535.23328	1.0
549.25079	2.4
550.25726	4.7
559.23407	7.5
577.24860	1.4
591.26068	34.1
609.27087	100.0
609.44513	3.6
610.27533	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06338	0.6
59.05004	0.8
59.17682	0.5
65.32800	0.5
69.03417	0.6
69.28556	4.8
72.57375	0.5
73.02919	1.2
73.06554	2.3
77.35172	0.5
80.80747	0.5
87.04475	12.1
89.06035	100.0
91.07621	0.6
95.07403	0.7
97.06545	1.6
107.07049	1.1
108.08168	0.5
110.09676	1.9
117.09135	1.2
120.08131	1.3
121.08522	0.6
128.13635	0.5
131.03410	0.7
131.07062	4.0
133.08607	60.8
135.04514	0.7
137.06013	1.6
138.09155	8.2
139.09494	2.4
150.03233	0.5
161.05963	0.7
163.03963	1.2
173.02072	0.6
175.07617	0.5
175.09702	2.5
177.11241	22.5
199.68102	0.6
219.12239	0.6
221.13847	4.5
250.14377	1.2
265.16434	1.0
283.17599	0.7
309.19305	0.7
323.05569	1.0
327.20065	0.6
353.21490	0.6
371.22998	0.7
395.86160	0.5
415.25360	0.7
471.19830	0.6
591.35742	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	609.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.9
57.07067	1.0
59.04990	1.8
67.05495	2.7
69.07070	1.6
69.53907	5.5
73.02927	0.8
73.81622	0.8
79.05472	1.8
81.07045	2.5
87.04443	0.8
89.06013	2.2
89.50379	0.7
91.05479	1.4
93.07050	2.7
95.04977	0.8
95.08595	1.7
105.07055	2.0
107.08585	1.3
117.06967	0.9
119.08599	1.7
121.10120	1.5
129.77698	0.8
131.08586	2.0
133.08649	1.2
133.10182	1.6
145.10104	1.1
159.11722	1.0
275.20190	1.3
299.15118	0.9
335.26157	0.8
341.79239	0.7
389.18237	1.4
391.19196	1.9
392.19955	1.3
401.17725	1.0
404.20627	1.2
405.20929	3.3
406.21460	2.0
407.22241	2.3
415.18860	1.4
419.23038	1.6
421.23914	4.5
429.20941	1.6
431.18274	1.1
433.20102	1.5
444.22961	1.1
445.20517	1.4
447.17917	2.2
449.23428	1.1
457.24261	1.2
460.23022	1.5
461.19290	4.4
462.20575	2.3
463.21466	1.0
474.21014	1.1
475.20743	6.7
476.22040	6.9
477.22202	4.4
485.23251	5.9
486.20795	2.6
487.21567	0.9
488.22049	1.0
489.22964	4.8
493.22214	1.1
499.21634	3.7
500.22168	1.8
502.86566	1.0
503.24860	5.4
515.24377	5.7
517.22284	1.6
521.25214	3.5
530.56244	0.8
531.23901	9.6
535.22974	0.9
549.24945	1.9
550.26251	4.0
559.23499	5.5
563.26709	1.9
577.24384	2.4
591.25916	14.7
592.25378	1.0
609.27069	100.0
609.44879	2.7
610.27344	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	608.3
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19522	0.8
53.03945	4.2
55.01873	48.4
55.05511	19.5
57.03439	1.0
59.99101	3.0
67.05501	4.8
69.03424	10.5
69.07072	4.1
70.94127	1.6
71.04985	2.3
73.02917	11.9
73.06565	5.0
79.05491	6.0
81.03420	21.1
81.07059	6.4
83.04958	1.3
83.08617	2.4
85.02905	8.8
86.06062	2.6
89.06029	2.6
91.05481	1.8
92.05818	0.7
93.07049	0.8
95.04967	0.7
95.08604	1.9
95.10860	0.7
95.57106	0.8
97.02892	25.5
97.10172	8.2
99.04459	2.8
102.03732	1.2
103.05444	1.0
105.07028	5.6
106.06555	41.9
107.08578	3.0
109.02879	12.9
119.04932	2.7
120.05306	1.1
121.10145	2.2
125.09628	100.0
127.03917	14.9
132.04805	4.7
133.08635	0.9
134.06020	2.7
135.11732	0.9
143.10670	26.8
143.53186	0.8
145.05051	9.3
147.04413	8.5
148.04771	3.2
148.12015	1.0
157.13377	7.1
161.13235	1.9
165.05493	2.6
166.05869	0.9
167.82063	0.7
174.92216	0.7
175.05359	1.1
191.11757	2.5
208.05403	2.9
208.20821	0.8
217.10023	4.6
250.10126	2.7
251.12682	3.8
269.13846	51.5
280.11154	2.8
287.14877	60.8
307.56696	0.7
375.12933	0.8
398.75085	0.8
443.27496	1.4
503.24475	7.1
608.29596	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	607.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.6
53.03944	0.9
55.05525	4.6
55.27738	0.7
57.03425	1.0
59.04990	1.9
65.03938	1.9
67.05509	22.2
69.07075	3.8
69.72617	0.6
71.04980	1.1
71.48978	1.1
74.46541	0.6
77.79935	0.7
79.05073	1.1
79.05502	16.7
81.03422	0.8
81.07059	23.8
83.08634	3.5
85.06545	1.4
87.04474	1.2
89.06030	2.8
91.05486	20.2
93.07049	13.0
95.04977	1.2
95.08611	16.9
97.06526	2.2
97.10174	0.8
99.08078	1.2
105.07036	12.6
107.08607	6.3
109.06504	0.8
109.10164	5.0
111.08060	2.4
117.07028	1.6
119.04952	24.2
119.08596	6.7
121.06542	0.6
121.10152	20.2
123.11717	2.1
125.09670	1.4
129.06969	0.8
131.08562	2.0
133.10152	6.6
135.11694	9.2
135.60251	0.7
145.10144	1.7
146.88843	0.6
147.04419	100.0
147.11700	10.4
148.04706	0.8
149.13223	3.7
155.08539	0.8
157.10141	0.9
159.11661	1.2
161.13268	15.1
163.14819	2.4
165.05489	25.4
165.12750	1.5
165.87267	0.6
175.14821	4.8
178.42653	0.7
179.14375	1.9
185.13327	0.8
187.14871	0.8
229.69258	0.7
243.21146	4.1
261.22165	11.4
332.79004	0.8
411.62967	0.6
448.75235	1.0
526.33679	0.7
607.25830	1.1
607.43823	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	607.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.8
55.05507	3.0
59.04992	1.5
65.03954	1.4
67.05505	20.8
69.07066	4.0
71.04998	1.0
79.05492	12.9
81.03393	1.6
81.07053	21.1
83.08614	3.6
85.06528	1.3
87.04496	1.0
89.06036	2.9
91.05482	20.1
93.07043	13.5
95.04954	1.2
95.08610	14.4
97.06530	2.0
97.10165	0.9
97.28427	0.7
99.08093	1.2
105.07032	12.5
107.08607	6.2
109.06509	0.8
109.10153	5.0
111.08091	1.6
119.04119	1.4
119.04942	25.4
119.08601	6.5
121.10143	17.8
123.11732	2.0
125.09610	1.2
126.01606	0.6
129.06955	1.1
131.08548	2.4
133.08557	0.9
133.10143	6.3
135.11690	11.9
136.51108	0.6
137.09618	0.7
145.10156	0.7
147.04414	100.0
147.11682	10.1
148.04778	0.8
149.13232	3.1
156.16376	0.6
157.10191	0.9
159.11720	0.8
161.13260	15.0
163.14862	2.3
165.05487	25.3
165.06885	1.2
165.12798	1.9
173.13287	0.7
175.14874	4.6
177.16464	0.7
179.14348	2.2
243.21056	4.5
261.22192	10.7
279.23260	1.0
607.26251	1.3
607.34985	1.1
607.43707	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	607.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	5.1
57.03424	1.4
65.03946	2.3
67.05506	29.1
69.07063	4.5
70.50181	1.1
70.50536	3.7
71.04998	1.7
79.05502	13.6
81.07065	32.4
83.04996	1.3
83.08619	5.9
85.06548	3.0
89.03916	4.7
91.05485	16.4
93.07041	13.3
95.05009	1.7
95.08614	23.4
97.06495	1.5
97.10201	1.4
99.08131	1.3
105.07023	4.6
107.04932	4.3
107.08591	10.7
109.10172	10.6
117.03381	6.9
119.04947	22.3
119.08571	3.3
121.10152	14.3
123.04398	2.8
123.11703	4.5
133.10135	3.4
135.04411	16.9
135.11690	12.4
137.13297	1.3
145.02856	9.9
145.06488	1.7
147.04419	90.0
147.11653	3.0
149.13266	13.4
161.13304	2.0
163.03914	100.0
163.14801	7.6
165.05502	8.6
177.05597	1.2
181.04971	7.3
194.62187	1.2
209.39194	1.2
242.28812	1.2
242.46413	1.2
245.22704	3.9
263.23709	6.8
267.06558	2.4
309.07480	1.3
425.26782	1.6
457.40714	1.2
511.80222	1.2
547.68457	1.3
580.43079	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2912
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
56.51072	0.5
69.92425	1.1
69.92815	1.0
98.21490	0.5
126.69582	0.4
184.74533	0.5
362.00943	0.5
388.16837	0.6
389.17435	1.1
401.17819	0.6
402.18466	0.9
403.19363	2.7
404.20032	0.9
405.20850	1.1
415.19302	1.0
416.20285	1.3
417.16220	1.0
417.21268	3.1
418.21826	1.3
419.22400	3.1
430.17960	1.4
431.18286	8.3
431.24240	0.5
432.19601	1.7
433.24142	7.0
434.24835	1.2
444.19128	0.6
445.19870	7.6
446.21011	3.6
447.21701	3.3
459.21390	3.4
460.22571	8.2
461.23376	10.1
473.23489	2.8
474.23950	0.9
477.23306	0.7
487.24905	1.3
492.25681	0.7
505.21820	2.9
519.24384	1.5
532.24652	0.7
547.27081	19.3
548.27692	0.7
575.26550	0.7
607.29187	100.0
608.29376	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	607.2912
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
69.41882	2.0
69.42289	1.5
71.40083	0.5
78.53233	0.5
98.20839	1.2
181.85706	0.4
314.80804	0.5
389.17825	1.7
401.17767	1.3
402.18488	1.4
403.19101	5.4
404.20013	1.4
405.20831	2.1
415.19553	0.8
416.15515	0.8
416.20145	1.6
417.16296	1.2
417.21420	5.5
418.21518	3.3
419.22583	4.8
430.17334	1.1
430.22226	1.4
431.18143	10.1
431.23654	0.9
432.18979	1.6
432.24014	1.1
433.23969	13.7
434.24646	1.1
444.19205	1.1
445.19873	15.1
446.20676	6.1
447.21515	4.9
451.78323	0.6
454.51337	0.5
457.20486	0.7
459.21445	5.2
460.22537	14.3
461.23358	16.7
473.24017	3.1
474.24243	1.7
487.25037	1.9
489.23267	0.8
504.24594	0.5
505.21347	2.9
506.26794	0.6
515.24567	1.0
519.27429	1.7
532.24774	1.7
547.27032	51.4
548.27716	1.5
554.68781	0.6
575.26410	1.1
579.29431	1.7
580.96606	0.5
607.29138	100.0
608.29248	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41796	0.2
53.03938	0.6
65.03938	0.4
67.05527	1.0
67.71069	0.2
69.07058	0.8
69.38339	1.5
79.05498	1.5
80.05029	1.1
81.03407	0.3
81.05795	0.7
81.07053	0.4
82.06579	1.0
85.02919	0.3
91.05489	2.9
91.20457	0.3
93.05780	0.3
93.07047	4.9
94.05966	0.3
94.06575	6.1
95.04961	0.8
95.07352	6.4
95.08593	0.8
96.08137	11.0
97.06525	2.2
98.21500	0.4
103.05489	1.0
105.07036	0.4
106.06529	1.3
107.07341	1.8
107.08527	0.3
108.08125	8.8
109.08890	1.0
110.06049	0.2
110.09686	21.3
119.08620	0.3
120.08110	17.1
121.06509	0.7
121.08962	1.0
121.09898	0.2
122.06039	2.1
122.09668	1.1
123.04427	0.5
123.06810	1.1
127.03952	0.4
129.17134	0.2
131.07344	0.4
134.09633	0.2
135.04416	0.7
135.11800	0.2
136.07581	1.6
137.05975	2.4
138.09145	100.0
139.09511	0.5
140.06993	0.3
146.09610	0.3
147.04349	0.3
151.03877	0.3
160.07596	0.3
163.02766	0.2
163.03859	1.2
163.11218	0.2
163.15681	0.3
164.07062	3.4
174.09097	1.2
177.06647	1.0
181.09723	3.3
188.07091	0.6
191.08154	2.5
202.08681	1.9
203.08171	0.3
206.08150	0.2
219.11386	0.3
220.09674	0.3
230.08157	1.3
233.11760	0.9
245.09296	0.6
248.09232	1.1
250.14417	0.8
259.10696	0.3
261.08618	1.0
263.10327	0.6
271.55972	0.2
272.09158	1.1
283.14694	0.2
287.10321	0.6
290.10330	0.5
305.11307	0.5
307.12958	1.7
333.10852	0.7
337.60315	0.3
340.13120	0.3
357.13239	0.4
359.14063	0.3
398.17053	0.7
424.18857	0.3
426.20364	0.4
452.18304	1.9
470.12564	0.3
470.19241	5.4
471.35132	0.2
483.22388	0.3
543.25641	0.3
571.25153	0.6
589.26648	4.1
607.26929	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53192	0.2
53.03944	0.5
55.01862	0.5
65.03938	0.6
67.05493	0.9
68.05044	0.3
69.03430	0.4
69.07067	1.1
71.49123	0.4
71.83333	0.3
79.05499	1.7
80.05008	1.2
80.41296	0.3
81.03433	0.4
81.05815	0.6
81.07058	0.7
82.06557	1.0
83.95292	0.3
85.02900	0.8
86.09715	0.3
86.49288	0.3
88.82981	0.3
91.05487	3.1
93.05805	0.3
93.06483	0.4
93.07050	5.1
94.05966	0.3
94.06571	6.6
95.04953	0.5
95.07354	6.8
95.08602	0.9
96.08134	12.9
97.02882	0.4
97.06525	3.0
103.05465	0.8
105.04521	0.5
105.05756	0.4
105.07046	0.4
106.06569	1.3
107.07322	2.4
108.08122	8.1
109.08905	1.1
110.09686	22.2
110.71511	0.3
117.03384	0.3
118.33809	0.3
119.04951	0.8
120.08109	17.8
121.06495	0.6
121.08881	1.1
122.06016	1.3
122.09657	0.8
123.04421	0.4
123.06812	1.2
127.03933	0.3
131.07314	0.3
135.04485	0.7
136.07573	1.6
137.05986	4.3
138.09145	100.0
139.06619	0.3
139.09476	0.9
140.07071	0.6
145.02823	0.7
146.09656	0.4
147.04448	0.4
148.55731	0.3
151.03932	0.5
163.03889	1.3
164.07069	3.3
174.09154	1.4
177.06635	0.4
181.09727	3.7
181.18570	0.3
188.07019	0.4
189.09053	0.3
191.08189	2.9
197.30771	0.3
202.08665	1.8
203.08131	0.4
217.09706	0.5
227.12880	0.3
230.08226	1.3
233.11716	2.0
243.11345	0.3
245.09323	0.4
248.09206	1.3
250.14355	1.3
261.08710	1.0
263.10266	0.6
265.11896	0.3
272.09222	1.1
279.13327	0.3
283.14700	0.4
287.10355	0.6
291.09717	0.4
305.11386	0.4
307.12897	2.0
333.10886	0.6
340.12949	0.4
346.59537	0.3
357.13312	0.4
358.13898	0.4
359.13889	0.9
398.17188	0.8
424.18878	0.4
426.20239	0.7
445.19989	0.4
452.18051	2.1
470.19186	5.1
501.54401	0.3
543.25928	0.4
571.25519	0.4
589.19745	0.3
589.26721	3.6
607.26337	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.6
55.05517	2.4
61.02931	1.6
67.05500	4.6
69.03425	2.7
69.07049	1.3
70.86291	1.4
71.49201	2.0
79.05491	4.2
81.03427	2.7
81.07063	3.5
85.02911	2.0
86.09712	3.4
90.74817	1.3
91.05480	4.6
93.07045	2.6
94.06567	6.7
95.08630	1.5
97.02870	3.1
105.07039	5.2
106.06567	3.2
107.07336	22.9
107.08520	1.7
108.08160	2.0
109.02911	2.0
115.63790	1.4
119.08577	2.3
121.08868	2.9
122.06053	3.5
122.09672	78.4
127.03873	1.6
129.07022	1.9
131.07281	2.8
131.08601	1.7
132.08086	3.7
134.06017	1.5
135.06807	4.4
136.07597	3.6
146.09682	13.2
150.09148	90.6
160.11247	6.2
164.07076	2.9
175.08672	2.0
184.07391	2.6
185.10770	1.9
189.10298	3.5
199.08728	1.6
199.12419	1.5
200.09334	2.1
203.11786	2.3
211.08699	4.3
212.09457	4.8
213.10222	4.7
216.08949	6.5
225.10255	2.6
226.10767	1.8
227.11818	4.5
231.11325	10.5
243.11496	3.1
245.12877	3.0
247.10732	3.9
249.12358	2.5
253.09840	2.7
257.09204	2.6
259.10834	8.6
269.09326	1.7
271.10797	21.9
272.11569	6.7
275.10233	26.2
277.11810	18.0
303.09781	31.6
306.15881	2.4
315.09720	7.8
316.10632	3.5
318.12405	2.3
321.10913	2.7
334.19189	2.1
336.13351	2.1
341.23364	1.9
350.15060	4.0
351.15771	4.6
354.21808	4.8
362.18713	4.8
362.89920	1.9
380.19705	48.6
380.24347	3.3
381.20157	1.9
390.18130	7.6
398.20718	7.6
406.17432	4.4
408.19327	13.1
424.18686	100.0
425.18860	2.5
426.20157	19.3
440.18253	13.8
444.21310	6.8
452.18137	52.4
458.19290	2.5
527.26202	5.5
543.26147	2.3
561.27124	41.2
563.28156	4.1
571.25391	4.1
575.31348	2.0
589.17987	2.4
589.26654	29.2
607.26886	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	607.2549
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
60.91261	0.2
67.02213	0.2
67.05511	0.3
70.27073	0.7
76.47263	0.2
82.34068	0.3
84.18298	0.2
85.24892	0.2
90.21432	0.2
94.78728	0.2
95.05002	0.2
95.88293	0.2
109.05151	0.2
119.83408	0.2
195.09230	0.3
209.10826	0.4
221.10825	0.4
223.12386	0.4
225.14284	0.2
249.10228	0.2
251.11739	0.3
259.12119	0.2
263.12137	0.3
271.11423	0.2
298.13516	0.3
373.14688	0.4
374.14969	0.6
375.16199	0.8
387.16095	0.5
388.16931	1.1
389.17645	2.4
390.18460	1.1
391.19455	1.0
401.13507	0.3
401.18246	0.4
402.14069	0.3
402.18839	1.2
403.15683	0.4
403.19467	4.1
404.19983	1.8
405.20786	3.7
407.21808	0.3
415.15088	0.5
415.19876	0.4
416.16232	0.7
417.16248	3.4
417.21146	2.0
418.17758	1.1
418.21783	1.0
419.22452	6.4
420.23077	1.3
429.16953	0.4
430.17416	1.1
431.18402	7.5
432.19092	3.4
433.20197	3.5
435.22009	0.5
444.19568	0.6
445.20169	5.1
446.21057	7.5
447.21747	8.2
448.22919	0.5
459.17285	0.7
459.21960	1.6
460.18747	0.8
460.23773	0.4
461.19650	2.2
462.24518	0.4
463.21014	0.6
463.26035	0.4
473.19046	0.7
473.24207	0.6
474.20358	4.9
475.21033	4.8
476.21500	0.5
477.22720	0.7
478.23856	0.6
487.21307	1.5
490.23615	0.7
491.20044	2.7
501.23077	1.0
503.24124	0.3
504.21640	0.5
505.22739	0.9
506.22964	0.6
519.24121	16.7
520.24335	0.5
529.22235	0.3
532.20483	0.4
547.23413	13.1
548.23914	1.0
549.22058	0.3
551.26746	0.4
561.26007	0.3
579.26001	5.2
589.24420	0.4
607.25525	100.0
608.25830	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	607.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.1
55.01877	2.6
57.03441	1.9
61.02935	2.6
64.52615	1.7
69.03433	8.3
70.53434	3.4
71.05003	2.0
73.02900	3.1
75.42621	1.5
78.68202	1.3
79.05478	1.7
81.03427	9.4
85.02920	16.1
87.00858	9.4
91.05494	2.2
94.04187	2.8
97.02905	14.3
97.06509	1.8
99.04466	3.7
105.01865	5.3
106.55112	1.4
107.07350	1.7
109.02883	6.9
109.30254	1.6
110.09682	2.0
115.03933	5.8
115.05470	5.0
117.07037	1.7
120.08115	1.9
122.03645	7.0
122.09669	8.8
127.03928	10.6
129.07019	6.5
131.04936	3.5
131.08611	1.6
134.96538	1.4
135.04424	1.9
137.05992	100.0
138.09154	11.6
143.04951	3.6
145.04939	5.2
151.03935	1.8
151.07565	6.3
157.06543	4.1
159.02867	4.1
160.05220	8.1
161.04491	4.0
161.05943	2.5
163.03932	3.5
163.07579	5.5
174.06807	3.5
175.07568	49.6
177.09105	2.7
187.07561	23.4
189.09137	10.9
201.03751	1.5
201.09096	4.1
203.08401	2.1
205.08589	11.6
210.95813	1.6
217.08588	1.7
219.04967	2.6
219.10165	7.2
235.09660	6.6
247.04718	2.5
248.08255	2.5
253.08630	1.6
255.06575	2.1
261.09171	2.0
263.10562	3.7
270.08871	6.4
271.09705	6.7
275.11139	1.5
279.10181	1.8
291.10233	7.7
309.11359	1.7
311.12723	3.2
323.12894	11.9
325.14304	4.5
341.13910	11.6
392.49228	1.6
469.98141	1.9
574.63501	1.7
589.26318	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	607.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.6
53.03936	0.8
55.01853	0.5
58.90106	0.5
65.74411	0.5
69.03412	0.6
69.15019	6.1
72.25938	0.5
81.03411	1.3
85.02900	2.5
87.00832	1.2
91.05486	1.0
93.87028	0.6
95.04959	1.1
97.02901	0.6
103.05470	53.9
105.07039	4.1
109.02935	0.8
115.05477	0.6
119.04962	1.1
127.03939	1.7
131.04935	100.0
132.05251	1.2
133.06496	4.4
137.05956	4.3
147.04395	1.6
161.05977	10.6
163.07547	28.6
168.82329	0.5
175.07515	0.7
179.07037	1.3
187.07578	1.0
191.07039	0.7
217.08578	0.7
233.08072	0.7
257.08099	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	4.3
55.48798	1.9
62.03943	2.0
69.03430	6.1
69.25261	12.5
69.25665	4.4
78.71429	2.1
79.16079	2.0
80.14153	1.8
81.03423	6.5
85.00122	2.5
85.02917	13.2
87.00827	7.6
91.05451	3.6
93.07080	2.2
94.04176	3.4
97.02889	10.3
97.06528	3.8
99.04448	4.6
99.91061	1.9
103.05472	6.4
105.01852	2.6
108.48337	2.9
108.49100	1.9
109.02943	2.6
109.06543	3.6
110.09634	2.2
115.03929	6.0
115.05466	4.2
119.04960	5.2
122.03649	5.8
127.03924	9.3
129.07005	6.6
131.04927	9.5
137.05986	100.0
138.09160	3.2
141.07077	2.0
143.04947	5.7
145.05002	4.9
145.06577	2.4
147.04427	8.6
151.03900	12.1
151.07549	4.7
157.06490	5.3
159.08000	2.3
160.05176	5.6
161.04533	4.1
161.06004	3.6
163.07547	9.5
166.56375	2.2
168.98595	2.6
175.07550	34.9
179.07002	7.0
187.07538	18.3
189.09120	8.4
205.08545	7.5
206.11740	3.9
213.55925	2.5
219.08171	2.9
219.10185	6.0
219.27040	2.2
235.09743	3.0
247.04532	2.1
247.07433	2.5
248.08392	2.5
251.10925	2.5
257.56635	2.2
270.08829	4.3
271.09616	5.5
279.10342	2.8
291.10037	4.4
294.36102	1.9
302.17572	3.7
323.12814	13.2
325.14194	5.1
341.13840	8.2
359.14719	14.2
411.16037	2.3
607.23340	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	605.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15587	0.2
50.80050	0.3
57.07073	0.6
59.04981	0.4
60.87959	0.3
67.05490	0.9
69.07064	0.5
69.66586	1.6
70.03197	0.2
71.08636	0.3
79.05535	0.3
80.24478	0.3
81.07056	0.9
83.08640	0.4
89.06004	0.3
91.05466	0.4
93.07019	0.4
93.37361	0.2
95.08616	0.6
95.90764	0.2
97.06478	0.3
97.10178	0.3
98.70449	0.2
105.07075	0.3
107.08589	0.2
123.11686	0.3
167.57788	0.3
177.12810	0.5
180.06522	0.3
275.20276	0.6
293.21204	0.4
313.27368	0.4
399.16257	0.3
400.17395	0.4
401.17673	0.7
402.19049	0.6
403.19632	0.3
404.21295	0.3
412.17871	0.3
413.17834	0.8
414.18356	1.1
415.19211	4.6
416.19995	1.9
417.20813	0.6
427.19556	0.8
428.20120	1.3
429.20862	7.6
430.21765	3.6
431.22333	1.0
433.23853	0.5
442.21851	0.6
443.22586	3.4
444.23688	5.4
445.24280	3.7
448.26309	1.0
455.18912	0.5
456.19458	0.5
457.20270	1.6
457.24817	0.8
458.25354	2.1
459.21268	2.0
459.25787	2.6
460.22385	0.5
470.21164	0.6
471.21844	0.9
471.64426	0.3
472.22675	3.4
473.23431	5.0
474.24435	2.1
476.21988	0.4
485.23553	3.9
486.24475	1.8
487.24979	20.2
488.26221	1.4
489.22900	1.0
490.23529	0.3
500.21945	0.6
501.23157	0.4
503.24615	2.5
504.25119	0.5
513.22754	0.6
517.26501	2.4
518.23016	0.7
530.22516	0.4
531.24005	0.6
532.24817	0.6
545.25433	16.6
546.26208	3.1
573.25348	1.3
577.28070	0.4
590.24866	0.5
605.27582	100.0
606.27905	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	605.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.0
55.05505	9.1
57.03439	4.0
57.07070	5.0
58.73621	3.8
66.42404	3.6
67.05500	13.7
69.03421	9.3
69.07085	19.7
69.20214	41.1
71.05000	25.6
79.05484	15.6
81.03414	7.1
81.07063	36.6
83.08627	5.7
85.02894	16.4
85.06532	17.0
87.00849	6.8
91.05463	11.4
93.07053	33.5
93.60163	4.0
95.08616	76.5
97.06533	18.3
99.04457	8.4
99.08084	6.7
101.90432	5.4
105.07040	27.4
107.08600	42.1
108.01028	4.0
109.02875	4.0
109.06507	8.6
109.10190	35.5
111.08083	9.1
113.09631	8.7
117.07031	5.5
119.08603	35.3
121.10163	21.7
122.42956	3.9
123.08032	17.5
123.11696	13.2
125.09593	11.8
125.27483	4.1
127.03924	6.3
127.11185	25.5
129.07037	5.1
131.08594	14.2
133.10141	24.0
135.08047	8.4
135.11687	13.8
137.05977	33.4
137.09604	15.1
137.13239	6.3
142.07738	5.1
143.08565	7.1
143.10722	5.6
145.10121	30.6
147.11700	18.8
148.97679	3.8
149.13275	12.6
151.03888	25.9
151.04970	6.0
151.14812	7.4
155.10683	5.6
157.10127	15.9
159.11685	38.3
161.13246	19.4
163.03835	6.6
163.14835	7.5
164.07089	4.9
165.12781	8.1
167.14302	4.4
168.53355	4.1
171.11638	14.5
173.13304	26.3
175.14854	22.2
179.14317	8.9
183.13684	5.6
185.13242	8.5
187.14807	14.1
189.16331	5.1
199.14819	34.4
203.14374	5.4
211.14767	4.5
213.16452	6.9
215.17964	14.1
217.15845	28.6
225.16447	6.1
235.17001	6.3
239.16275	8.0
259.20633	4.9
267.21127	15.6
273.21967	4.9
277.21729	6.7
279.13098	4.4
285.22134	58.4
303.23206	58.3
321.24261	81.0
339.25336	100.0
357.13300	14.6
468.17487	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	605.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24970	1.3
61.65831	1.3
64.71458	1.4
67.05496	3.3
69.31310	13.8
79.01860	1.4
81.07043	1.8
85.02908	2.1
91.05473	3.1
93.07046	2.2
94.06582	4.0
95.08629	1.8
98.20766	3.0
104.16886	1.4
105.07017	1.6
107.07274	1.9
107.08519	2.4
108.08105	2.2
109.02863	1.7
121.10137	1.8
122.06027	6.9
122.09673	7.3
127.03938	1.7
136.07567	6.1
137.06021	1.9
139.11159	1.5
162.05473	2.5
162.09198	1.7
164.07065	15.8
164.10716	1.9
174.09105	1.5
175.08641	1.8
185.10709	2.4
187.08557	1.8
190.08667	5.8
198.07892	2.4
199.08612	2.9
200.09424	5.3
201.06598	4.7
201.10173	1.8
202.07306	13.0
203.08209	8.6
204.06580	4.6
212.09451	2.9
213.10211	6.6
214.10995	2.1
215.08185	2.3
215.11906	2.8
217.09709	17.6
227.08138	3.4
228.08913	3.8
229.06099	6.3
229.13391	2.8
233.09302	7.8
241.09749	8.9
242.10445	4.3
243.07669	2.8
243.11255	5.1
245.09241	9.9
257.09241	38.0
257.12384	2.9
257.12881	3.6
259.10770	6.5
261.08719	98.8
263.10226	12.0
269.27039	1.6
271.07159	2.5
273.12421	8.1
275.13962	2.3
285.08713	45.0
287.10278	51.8
301.11826	100.0
302.12332	2.5
305.11319	12.5
313.08176	28.4
317.15335	2.2
319.12988	2.1
331.09323	27.5
341.74484	1.6
362.14789	2.3
376.16656	2.5
378.18100	6.4
379.16479	3.8
380.19992	7.4
391.15234	2.6
398.12088	2.9
398.17032	36.5
398.21671	3.0
404.16046	6.3
406.17654	47.4
407.16495	1.8
421.12714	1.6
422.17075	4.0
424.18643	28.0
426.16467	3.0
432.15280	1.9
438.20227	18.6
442.19833	3.6
450.16373	10.2
468.17648	28.9
541.24536	9.5
542.22363	1.7
543.26080	46.6
561.26996	12.5
569.23950	2.7
587.24982	7.7
605.26233	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	605.157
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	2.6
70.99300	1.3
71.49024	1.9
77.00826	1.4
77.03128	1.4
81.03449	1.5
82.96942	1.4
82.99866	3.5
85.02910	2.2
89.03905	1.5
97.02866	2.4
98.97566	4.1
101.00877	17.7
107.04946	1.9
110.97617	1.7
113.00847	3.8
119.01942	18.7
127.02428	5.3
127.55435	1.7
130.47585	1.5
131.01920	9.4
135.04408	2.7
137.06000	10.5
139.02426	2.9
143.01907	28.2
145.03523	12.1
151.07523	6.9
155.01913	20.7
157.03450	6.0
161.02972	18.4
163.03867	15.2
167.01868	10.6
169.03476	4.8
170.99672	2.2
171.05028	2.5
173.02959	23.0
173.65059	1.5
177.03937	4.5
178.04802	2.6
179.01910	3.9
180.02686	2.6
181.03499	2.2
183.05089	1.8
185.02951	34.7
187.04497	4.4
195.05045	21.8
196.05884	6.7
197.02965	15.1
203.03987	10.4
205.03455	2.4
207.04953	3.0
211.08189	2.9
212.61568	1.4
215.03961	7.2
219.01877	1.4
219.05026	5.9
221.04993	2.3
222.03789	1.8
223.04605	3.4
225.06035	4.1
227.03998	6.3
231.01892	1.6
231.04979	1.5
237.06053	18.7
239.03886	1.8
240.04785	4.1
245.05072	83.4
249.02638	2.3
249.06099	3.3
255.07161	40.4
257.05057	4.5
261.06100	5.7
263.03897	4.4
263.06311	8.0
264.04739	5.6
267.04446	1.6
267.06912	6.7
273.08203	38.4
275.06033	14.2
279.07141	29.9
281.05035	3.0
282.05884	4.5
288.04727	2.9
288.84238	1.4
293.07111	1.8
297.08209	100.0
298.08310	1.6
303.07294	2.2
305.07074	7.1
309.08212	9.3
311.05920	2.5
318.05826	1.8
320.09698	2.5
321.08099	7.5
327.09149	8.4
333.08087	3.8
335.08240	3.2
339.09286	18.6
341.07214	5.0
357.32327	1.6
363.09116	2.7
365.09406	2.3
369.10165	3.8
381.10336	30.3
399.11301	18.0
413.09344	2.1
418.06253	1.7
443.10272	3.4
536.98523	1.7
561.16266	1.9
605.15009	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.7
53.35243	1.6
55.01852	5.9
55.05519	7.9
57.03425	5.2
57.07077	2.1
58.09235	1.6
61.02922	2.7
67.05508	8.2
68.99798	2.2
69.03432	21.4
69.07068	16.7
69.14209	16.2
71.04987	9.7
73.02893	4.3
79.05482	9.1
81.03423	17.4
81.07053	21.8
83.01353	1.8
83.04975	4.0
83.08619	2.3
84.25735	1.8
85.02907	49.1
85.06544	84.1
87.00833	21.4
91.05465	6.8
91.36327	1.7
93.07055	21.5
95.05006	1.8
95.08611	28.6
97.02908	18.8
97.06541	4.1
97.10198	1.8
99.04455	7.6
105.01870	16.1
105.07048	19.5
107.08593	37.1
109.02880	20.6
109.06504	1.9
109.10161	19.6
111.08101	8.2
119.08575	22.7
121.06541	2.2
121.10136	29.1
123.08036	3.3
123.11721	10.2
125.09595	3.5
127.03922	36.7
129.01775	2.7
131.08565	4.7
133.10146	21.7
135.00981	1.8
135.08052	4.1
135.11729	13.4
136.09198	1.6
137.06001	4.0
137.09660	2.2
139.07513	3.0
139.11139	2.2
143.08583	1.9
145.04970	11.5
145.10110	7.2
145.41887	1.5
147.11697	27.9
149.09619	9.7
149.13226	3.7
151.11185	4.1
153.22992	1.5
157.10124	4.6
159.02866	7.8
159.11714	14.3
161.09665	3.0
161.13272	21.8
163.11200	4.0
163.14810	9.7
165.12750	3.5
171.11665	6.3
173.13231	7.1
175.11139	3.8
175.14793	7.4
177.12805	2.5
177.16452	7.9
179.14317	5.9
185.13281	4.3
187.14816	4.3
189.12791	3.0
189.16397	3.5
191.14323	1.9
199.14825	3.5
201.16388	5.7
203.14272	2.4
203.17970	33.7
211.14836	2.8
213.03943	7.2
215.14165	2.3
215.17868	3.6
217.15811	2.7
219.17473	6.5
221.19008	100.0
222.19295	2.5
227.17964	5.4
229.15871	3.3
231.04977	7.3
237.18477	5.0
239.20056	65.8
243.17456	2.6
245.18915	5.8
267.21027	3.6
275.23654	2.1
279.19101	1.8
285.22137	20.9
303.23196	44.4
321.24240	52.9
339.25293	18.0
533.19312	1.6
533.27557	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	604.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29063	1.8
53.03937	6.7
54.77751	1.7
55.01875	8.6
55.05505	10.0
57.03422	6.0
57.07067	1.8
59.05000	15.9
61.02913	4.0
67.05511	11.3
68.99787	2.9
69.03435	25.5
69.07069	20.3
69.67609	4.1
69.68009	7.0
71.04995	10.9
73.02897	4.4
79.05476	7.9
81.03423	19.9
81.07063	23.1
83.04990	9.6
83.08588	5.4
85.02379	2.0
85.02908	47.6
85.06545	100.0
87.00833	23.3
91.05479	10.0
93.07052	17.5
94.95477	1.6
95.04964	2.7
95.08180	1.5
95.08620	18.4
97.02895	19.8
97.06535	15.5
99.04446	10.7
99.08051	3.6
103.07569	1.9
105.01877	13.4
105.07027	36.3
107.08598	23.5
109.02898	25.1
109.06516	3.3
109.10163	20.5
111.08065	6.0
115.05427	2.9
117.05498	9.6
117.07021	3.6
119.08580	31.5
121.06506	2.5
121.10142	21.9
122.09627	2.7
123.08095	9.8
123.11700	5.0
125.09622	6.7
127.03912	26.5
129.01846	2.7
129.06976	3.8
131.08603	15.8
133.10141	22.2
135.08040	3.6
135.11688	8.4
137.05974	2.7
137.09607	4.8
137.13255	2.8
139.11168	3.4
142.07703	3.9
143.08517	8.0
144.09323	3.2
145.04977	8.9
145.10123	18.4
147.11685	15.9
149.09610	3.8
149.13277	9.6
151.11214	2.4
155.08525	2.7
155.10707	4.5
156.09344	2.7
157.10146	17.9
158.10931	3.5
159.02907	6.3
159.11703	57.2
161.09584	3.1
161.13255	28.8
163.11147	8.8
163.14832	6.5
165.12752	2.3
169.08688	1.6
169.10139	4.6
170.10786	3.1
171.11713	18.7
173.13275	71.2
175.09718	2.2
175.11159	6.0
175.14799	5.9
177.12744	5.6
177.16356	3.1
179.14383	7.9
181.15814	2.9
183.11702	2.8
185.13248	8.2
187.14842	8.1
189.12750	4.7
189.16382	3.4
191.14238	3.4
191.68178	1.6
197.13271	4.1
197.15102	1.9
199.14873	11.4
201.12703	2.8
201.16319	13.7
203.14268	4.5
203.17955	3.6
211.14793	7.5
213.03856	2.5
213.09099	2.1
213.16345	14.2
215.14391	3.3
215.17950	4.6
217.15923	32.9
219.17455	9.1
221.15382	2.8
225.16409	2.8
227.17935	12.8
229.15871	6.8
229.19609	1.7
231.04999	6.2
231.17419	16.5
233.18941	3.7
235.16931	6.9
239.16437	6.1
241.19485	5.2
243.17372	2.3
245.18944	10.0
247.16957	3.4
249.18533	13.0
259.20517	2.3
261.18686	2.1
267.21088	8.5
285.19089	3.3
285.22144	40.9
298.04581	1.8
298.82016	1.9
303.19852	2.5
303.23187	65.0
321.24243	64.1
322.24402	2.9
339.21362	3.2
339.25293	46.1
341.35098	1.8
533.27081	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	604.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	8.7
55.01875	5.3
55.05497	13.4
57.03416	4.5
67.05501	24.5
69.03415	12.2
69.07076	24.1
69.21364	31.7
69.21770	7.7
71.04980	8.5
73.02914	7.6
79.05491	21.5
81.03404	19.0
81.07055	39.9
83.08589	5.0
85.02908	39.3
85.06535	9.6
86.06091	5.6
87.00811	12.7
87.04440	5.6
91.05474	20.1
93.07046	39.6
95.04958	10.0
95.08602	52.0
97.02885	20.1
97.06503	8.0
97.10168	8.1
99.04456	7.7
99.08082	8.0
102.45013	4.6
105.01856	5.6
105.07029	32.4
107.00476	5.0
107.08582	57.0
109.02853	20.6
109.06510	8.0
109.10154	59.0
113.09631	10.3
117.07008	5.5
119.08592	38.2
121.06477	4.6
121.10151	30.9
121.75455	4.9
123.11683	24.3
127.03925	23.7
133.10132	36.1
135.08049	4.7
135.11690	51.5
137.05978	8.7
137.13251	4.8
142.08665	7.6
145.04953	10.3
145.10100	13.7
147.11676	35.2
149.13277	10.0
159.02942	6.3
159.11665	13.4
161.13190	21.8
163.14777	7.2
169.10042	5.2
171.11790	4.9
173.13248	6.2
175.14810	26.6
193.12186	7.6
193.15900	5.4
201.16339	8.5
203.17905	35.4
212.16441	5.5
215.17892	5.6
257.22641	19.0
267.20990	9.0
285.22052	21.3
303.23178	100.0
321.24268	42.8
551.29065	4.9
604.27374	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	604.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42960	4.8
53.03947	9.5
54.21050	4.6
55.01878	6.6
55.05509	14.2
58.69875	4.8
67.05505	21.3
69.03434	25.4
69.07082	26.0
70.54322	14.4
71.05008	8.3
73.02899	5.3
74.09716	9.4
79.05486	22.2
81.03419	22.9
81.07070	45.0
83.04992	5.1
83.08612	14.0
85.02914	44.7
85.06519	6.8
86.06062	5.2
87.00832	21.0
91.05486	22.6
93.07051	49.0
93.48274	5.2
95.08614	53.2
97.02906	23.8
97.06541	53.9
99.04472	9.9
99.08106	9.8
100.11261	4.4
105.01865	9.9
105.07030	56.9
107.08592	52.8
108.08178	4.2
109.02889	20.9
109.06548	7.2
109.10175	41.0
111.08076	10.8
117.01850	5.3
117.07047	11.3
119.08585	75.9
121.10139	27.8
122.09704	6.2
123.08067	15.0
123.11695	7.6
124.80404	4.8
125.09624	24.1
127.03896	22.4
129.07056	6.1
129.41783	5.1
131.08594	17.2
133.10158	39.3
135.11702	20.4
137.09610	14.5
139.11157	7.5
142.08702	6.0
143.08578	15.4
145.04996	9.3
145.10130	34.7
147.08054	5.9
147.11684	23.0
151.11159	6.9
154.08650	5.1
155.08595	8.0
155.10670	8.7
156.09392	4.8
157.10101	22.8
159.02946	9.5
159.11748	30.3
160.08170	4.5
161.13255	100.0
163.11168	9.2
163.14839	8.0
169.10109	11.7
171.11687	9.7
173.13295	19.6
175.11203	9.3
175.14828	10.5
176.10619	4.3
177.12758	9.3
179.14325	20.6
183.11693	5.5
185.13287	12.4
187.14766	9.9
189.12749	9.9
195.13831	8.1
197.13243	9.0
199.14796	11.7
201.16388	6.7
203.14316	9.4
205.10486	6.9
207.11642	4.9
211.14977	8.1
212.16580	8.8
213.16388	5.8
216.10194	38.7
217.10512	17.8
217.15846	8.3
221.15356	37.9
229.15842	7.8
230.17503	7.1
235.17110	5.5
239.16377	49.3
241.19304	5.1
247.16844	8.5
259.20752	7.1
261.08765	21.6
262.09119	21.7
263.09189	22.2
264.09442	14.8
267.21121	15.6
270.14969	20.4
271.15283	17.5
285.22131	37.3
302.17453	60.7
303.17880	64.0
303.23141	42.3
321.24374	30.4
387.25351	5.8
401.18155	5.5
424.30524	8.0
467.19180	7.6
604.27100	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	604.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47847	1.5
51.02385	1.9
53.03952	3.7
55.01864	3.6
55.05501	2.4
56.34074	2.0
57.03446	8.7
59.31092	1.7
61.02928	26.9
64.16905	1.5
65.03942	2.4
67.05515	11.0
69.03434	11.5
69.07057	3.5
69.37047	1.8
69.77766	6.4
69.78175	3.7
70.06600	3.6
71.04996	4.6
73.02916	12.3
75.56229	1.6
79.05486	12.1
81.03421	35.1
81.07060	7.9
83.04991	4.9
85.02902	26.7
87.04448	2.4
91.03947	11.5
91.05486	35.8
93.07047	32.3
95.04934	3.1
95.08606	6.2
97.02891	17.2
97.06532	11.8
99.04440	3.5
101.02350	2.1
103.05484	5.7
105.07021	10.9
107.04943	6.5
107.08550	2.1
109.02908	3.1
109.06560	2.9
109.10174	4.2
111.08052	2.2
115.03889	2.1
117.07009	4.1
118.48911	1.8
119.04980	9.7
119.08588	24.1
121.06513	27.5
121.10117	3.5
123.04433	7.8
123.08094	3.2
127.03918	3.9
128.06169	2.2
129.07007	4.7
131.04948	3.1
131.08546	3.6
133.06465	11.4
135.04428	13.2
137.05981	65.7
137.09598	12.3
139.07626	1.8
145.06487	7.5
147.04414	32.3
147.08051	15.7
149.05991	6.6
149.09575	4.5
157.06450	3.5
159.08060	3.6
161.05988	37.4
163.07552	4.6
165.05524	3.6
165.09126	16.9
171.08032	4.7
173.05998	16.4
175.07561	5.8
179.07089	3.1
181.52655	1.7
183.10178	10.5
183.11676	2.4
185.09641	2.3
187.07544	6.5
189.09042	2.0
199.07526	8.2
201.05406	4.2
201.09125	2.8
201.12740	2.6
205.08786	1.9
211.11179	3.5
213.09184	6.9
215.10640	2.9
227.10712	2.1
229.12210	11.9
231.10146	2.3
233.11763	4.8
239.01770	2.3
239.10753	2.6
239.12840	5.0
250.14380	2.0
255.13947	2.1
257.11752	70.1
265.12207	3.6
275.12756	16.0
283.13315	15.7
292.03680	2.1
301.14252	12.7
305.10638	1.9
313.14468	1.9
319.15369	4.6
330.17075	2.8
331.15439	4.7
348.18057	5.5
349.16507	5.8
356.12048	2.9
366.19180	8.4
375.18011	48.3
392.20679	34.1
393.19241	3.4
410.21768	60.6
424.23337	33.8
442.24493	16.6
497.30612	1.9
518.23956	4.7
536.24707	12.2
537.23169	3.2
554.25964	100.0
555.25848	2.3
568.27679	2.5
572.18488	3.4
572.27106	51.9
576.56995	1.9
586.28705	36.0
604.20660	3.2
604.29694	46.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.5
55.01875	4.8
55.05509	7.5
57.03443	3.2
59.05006	6.6
61.02928	2.5
67.05514	6.0
68.99792	2.7
69.03436	13.1
69.07072	6.3
69.96578	3.8
69.96982	8.6
71.04987	7.5
79.05504	6.1
79.45623	1.9
80.34870	1.8
81.03418	11.8
81.07053	13.4
85.02914	43.7
85.06549	72.9
87.00848	17.3
91.05502	8.3
93.07052	13.4
95.08601	10.3
97.02899	13.0
97.06528	6.2
97.95707	2.1
98.20895	2.5
99.04436	10.1
105.01868	10.8
105.07034	20.8
107.08594	15.5
109.02886	17.1
109.06546	2.3
109.10161	18.6
111.08057	5.0
117.09149	3.1
119.08593	26.2
121.06485	3.7
121.10161	23.6
123.11716	5.4
125.09657	3.2
127.03941	27.3
129.01891	3.8
130.07811	1.9
131.08580	9.3
133.10144	28.1
135.08098	4.9
135.11696	10.5
137.05962	2.5
137.09619	2.3
139.11179	2.8
143.08533	5.3
145.04990	6.8
145.10121	19.3
147.11679	5.0
149.09631	5.7
149.13264	5.3
157.10144	9.7
159.02940	7.1
159.11711	35.8
161.09619	3.6
161.13272	49.0
163.11169	2.5
169.10159	4.4
171.11758	6.1
173.09663	2.6
173.13313	16.1
175.11238	10.4
175.14824	6.3
177.12709	2.4
179.10756	2.9
179.14317	19.6
181.06570	2.1
181.12248	3.2
183.11740	5.9
184.39621	2.1
185.13194	11.7
187.11266	3.8
187.14835	4.9
189.09134	2.3
191.10603	2.5
193.12292	3.2
197.13332	3.2
199.14838	6.1
201.16371	33.0
209.13228	3.1
213.03978	4.6
215.14375	4.6
215.17865	2.0
217.15872	8.0
219.17459	45.6
223.14839	2.3
223.22478	1.8
225.16423	8.8
227.14305	2.4
231.05069	6.4
231.13887	2.7
231.17410	2.8
235.16980	4.6
237.18510	56.5
237.20790	4.0
241.15817	2.6
241.19687	5.2
243.17433	10.5
245.15390	8.3
255.21144	2.7
261.18588	15.2
265.19339	3.3
283.20557	14.0
301.21637	100.0
319.22720	86.8
337.23819	31.0
427.24545	2.6
551.54962	2.2
602.42578	6.2
605.81995	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	602.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.5
55.01875	4.8
55.05509	7.5
57.03443	3.2
59.05006	6.6
61.02928	2.5
67.05514	6.0
68.99792	2.7
69.03436	13.1
69.07072	6.3
69.96578	3.8
69.96982	8.6
71.04987	7.5
79.05504	6.1
79.45623	1.9
80.34870	1.8
81.03418	11.8
81.07053	13.4
85.02914	43.7
85.06549	72.9
87.00848	17.3
91.05502	8.3
93.07052	13.4
95.08601	10.3
97.02899	13.0
97.06528	6.2
97.95707	2.1
98.20895	2.5
99.04436	10.1
105.01868	10.8
105.07034	20.8
107.08594	15.5
109.02886	17.1
109.06546	2.3
109.10161	18.6
111.08057	5.0
117.09149	3.1
119.08593	26.2
121.06485	3.7
121.10161	23.6
123.11716	5.4
125.09657	3.2
127.03941	27.3
129.01891	3.8
130.07811	1.9
131.08580	9.3
133.10144	28.1
135.08098	4.9
135.11696	10.5
137.05962	2.5
137.09619	2.3
139.11179	2.8
143.08533	5.3
145.04990	6.8
145.10121	19.3
147.11679	5.0
149.09631	5.7
149.13264	5.3
157.10144	9.7
159.02940	7.1
159.11711	35.8
161.09619	3.6
161.13272	49.0
163.11169	2.5
169.10159	4.4
171.11758	6.1
173.09663	2.6
173.13313	16.1
175.11238	10.4
175.14824	6.3
177.12709	2.4
179.10756	2.9
179.14317	19.6
181.06570	2.1
181.12248	3.2
183.11740	5.9
184.39621	2.1
185.13194	11.7
187.11266	3.8
187.14835	4.9
189.09134	2.3
191.10603	2.5
193.12292	3.2
197.13332	3.2
199.14838	6.1
201.16371	33.0
209.13228	3.1
213.03978	4.6
215.14375	4.6
215.17865	2.0
217.15872	8.0
219.17459	45.6
223.14839	2.3
223.22478	1.8
225.16423	8.8
227.14305	2.4
231.05069	6.4
231.13887	2.7
231.17410	2.8
235.16980	4.6
237.18510	56.5
237.20790	4.0
241.15817	2.6
241.19687	5.2
243.17433	10.5
245.15390	8.3
255.21144	2.7
261.18588	15.2
265.19339	3.3
283.20557	14.0
301.21637	100.0
319.22720	86.8
337.23819	31.0
427.24545	2.6
551.54962	2.2
602.42578	6.2
605.81995	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	601.4237
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73446	3.2
52.51702	3.7
53.03942	11.8
55.05513	26.3
57.07077	8.4
59.05005	4.6
65.03927	3.8
65.26912	3.5
66.37691	3.5
67.05510	38.0
69.03428	14.3
69.07072	21.1
69.24813	27.3
71.05003	3.5
79.05501	40.0
81.07069	46.4
83.04988	25.8
83.08622	15.8
85.06576	4.9
87.04464	5.6
88.51360	3.8
90.19864	3.4
91.05485	66.3
93.06496	5.6
93.07056	83.9
95.05007	25.5
95.08618	35.9
96.05331	3.9
97.06513	18.1
105.07035	100.0
106.07363	8.4
107.08601	82.7
108.08913	5.6
109.06553	18.1
109.10169	33.8
111.08099	10.1
113.09648	4.4
115.05457	12.1
117.07049	25.0
119.08598	94.0
120.08952	4.1
121.06520	12.4
121.10155	74.1
122.10502	8.6
123.08076	21.3
123.08868	4.0
123.11690	7.2
125.09649	15.8
128.06207	11.8
129.07039	17.4
130.07823	8.8
131.08586	50.2
132.09216	3.3
133.10161	62.7
134.10481	4.6
135.08064	18.1
135.11702	20.5
137.09612	7.3
139.11172	6.0
141.06992	7.7
142.07806	28.5
143.08591	39.2
144.09258	8.1
145.06511	5.0
145.10156	73.7
146.10425	6.7
147.08067	12.1
147.11719	26.8
149.09602	21.0
151.07687	4.5
151.11246	4.9
153.07031	6.0
154.07832	4.4
155.08569	23.7
155.10719	4.0
156.09326	14.0
157.10139	57.9
158.10725	11.1
159.08076	21.2
159.11700	44.9
160.08717	5.0
160.12125	6.0
161.09576	14.0
161.13260	8.5
163.11243	8.3
163.84181	4.1
165.06955	8.8
165.09142	8.7
166.07748	5.9
167.08589	11.6
167.10695	57.3
168.09238	7.1
169.10117	28.9
170.10805	7.2
171.11700	40.3
172.12141	5.2
173.09596	9.4
173.13274	26.0
175.11162	10.3
175.14832	19.7
179.08588	14.2
180.09293	7.6
181.10127	17.7
181.12256	4.1
182.10791	16.1
183.11734	31.2
184.12222	5.9
185.09674	7.2
185.13303	22.8
187.11148	5.8
187.14795	13.4
189.12706	6.3
191.08623	4.0
191.14191	8.0
193.10168	14.1
194.10808	10.3
195.11745	27.6
195.13428	4.8
196.12370	11.4
197.13284	21.9
198.13774	4.6
199.11119	5.2
199.14854	15.4
201.12840	6.8
201.16373	5.3
203.14320	11.6
205.10202	4.6
206.10852	6.8
207.11674	12.2
207.13690	5.5
208.12225	5.0
209.13274	33.3
210.13774	8.3
211.11214	4.1
211.14835	21.8
212.15096	4.2
213.12802	4.4
213.16386	8.4
215.14272	8.7
217.10217	3.8
217.15892	5.2
220.12393	5.1
221.13229	16.8
221.15404	18.6
222.13736	4.8
223.14816	17.6
224.15179	5.5
225.16368	9.4
227.14383	5.9
229.15715	5.4
231.11665	4.6
233.13229	8.0
233.15367	31.0
233.21053	3.8
234.13866	6.8
234.16006	6.0
235.14828	11.1
237.16466	10.1
238.16821	6.3
239.17667	4.0
241.15919	5.8
244.12344	4.8
245.13081	3.6
247.14777	8.2
247.17072	4.9
249.16400	9.8
254.19482	4.0
255.17421	11.1
256.17847	9.4
259.14734	4.1
260.15515	3.9
261.16196	8.8
263.17917	7.2
269.18976	6.8
270.19598	4.6
271.20081	4.2
275.17685	4.2
277.19379	4.2
281.18896	3.9
283.20605	8.7
285.18536	5.0
289.19543	8.1
295.20633	4.7
299.20096	4.7
347.23807	3.8
349.25659	4.0
404.30048	3.5
565.40143	4.5
583.41425	9.5
601.42004	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.9
55.05502	6.8
57.07079	10.5
59.04990	3.6
61.03088	1.5
64.55149	1.5
67.05511	14.3
69.03420	7.0
69.07066	6.0
70.74669	4.4
79.05495	13.0
80.05839	1.5
81.07063	19.1
81.41241	1.7
83.04970	5.9
83.08612	2.4
85.06535	4.5
90.04807	1.6
91.05485	27.3
92.05791	1.9
93.07051	40.4
93.07642	2.2
94.07386	2.3
95.04963	6.1
95.08619	19.9
96.08953	1.6
97.06524	4.3
105.04574	1.5
105.07044	45.0
106.07314	2.1
107.08590	18.6
109.06552	10.4
109.10149	12.7
111.08095	2.2
115.05447	1.9
117.07020	7.0
119.08589	42.3
120.08918	3.8
121.06500	3.8
121.10149	20.8
123.08081	17.4
123.11694	2.2
125.06002	5.0
128.06201	5.3
129.07051	8.1
131.08589	18.8
133.06479	2.2
133.10135	24.0
134.10478	2.9
135.08073	17.0
135.11685	6.0
137.09627	14.2
141.06976	3.8
142.07840	7.2
143.08556	13.6
144.09322	4.8
145.10135	29.1
146.10500	4.0
147.08051	26.6
147.11681	6.5
148.08426	1.9
149.09608	6.9
149.13239	1.9
150.09906	1.7
151.07562	14.5
155.08530	6.7
156.09305	5.5
157.10152	21.4
158.10643	3.2
159.08061	2.6
159.11700	19.1
160.08502	2.3
160.12132	2.2
161.09627	7.1
161.13269	7.5
163.11192	12.8
165.06978	2.1
165.09122	55.4
166.09471	4.3
167.08556	3.6
169.10176	12.7
170.10835	4.9
171.11717	13.8
172.12163	3.3
173.09618	4.6
173.13235	7.0
175.11214	6.4
175.14819	6.5
179.08562	2.5
181.10141	7.1
181.12254	9.6
182.10910	3.3
183.11722	10.8
184.12181	2.2
185.13283	8.4
187.11220	3.6
187.14836	4.6
189.12749	3.7
190.13379	2.3
191.10684	2.6
191.14265	2.8
193.10089	2.6
193.12271	4.2
194.10936	2.5
194.12575	1.9
195.11754	8.9
195.13530	1.9
196.12236	2.7
197.13261	6.5
198.13988	2.1
199.11145	2.9
199.14896	2.8
201.12733	3.7
201.16364	2.7
203.14331	19.4
204.14633	2.8
207.11671	4.8
207.13802	9.2
208.12408	1.8
208.14339	3.3
209.13219	7.2
209.15225	3.2
211.11150	2.8
211.14766	5.0
213.12692	2.6
213.16316	2.9
221.13428	5.0
221.15370	100.0
222.13907	1.6
222.15765	10.2
223.14830	4.4
225.16403	3.8
231.13855	1.9
234.16000	2.9
235.14748	2.5
237.16365	2.4
239.17902	2.0
245.13290	1.9
247.16989	7.8
248.17451	3.1
251.17921	2.9
253.16046	1.9
259.17178	1.7
263.17917	1.8
265.19681	1.9
274.19339	3.0
275.20044	2.7
285.18607	2.2
286.19363	2.0
287.20016	6.7
297.18680	2.1
297.22128	1.6
299.20007	4.9
300.20651	6.3
301.21475	4.9
313.21384	3.2
325.21384	3.1
326.22000	3.3
333.22214	1.8
339.22989	1.9
340.23651	2.3
341.24350	4.1
352.23984	5.5
353.24249	5.8
365.24881	1.5
366.25433	2.3
367.26218	6.6
393.27798	2.6
414.57562	1.7
420.29733	2.3
421.30511	1.9
426.27066	3.1
428.28714	3.7
440.28955	3.3
441.29483	9.7
443.31186	2.1
491.35635	8.4
509.36026	4.8
521.36060	10.5
565.40155	2.0
583.41528	10.4
586.39417	2.1
601.42346	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.425
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.6
53.03941	4.9
55.01865	1.8
55.05513	8.4
57.03424	3.0
57.07078	12.8
59.04991	7.9
65.03945	2.1
67.05499	16.6
68.05831	1.7
69.03422	5.4
69.07062	10.1
71.08643	7.5
71.49069	1.8
71.49493	2.1
73.02891	1.8
79.05072	2.0
79.05495	21.1
81.03417	6.3
81.07061	24.7
83.04983	3.8
83.08608	4.7
85.06532	3.8
85.10182	4.4
87.04453	6.7
89.05495	2.3
89.06032	41.5
90.06355	3.3
91.05486	27.2
92.05817	2.2
93.07044	34.5
94.07365	2.2
95.04962	5.6
95.08608	23.7
97.06525	3.6
97.10189	2.4
99.55433	1.5
101.43352	1.6
103.05444	6.9
105.04545	1.7
105.07034	100.0
106.07347	7.6
107.04979	3.5
107.07089	1.5
107.08591	21.8
109.06514	7.3
109.10175	11.4
110.00429	1.6
111.08092	2.3
115.05415	2.3
115.07593	1.7
117.07011	11.4
117.09174	1.9
117.77964	1.8
119.04966	1.7
119.07814	2.6
119.08582	34.6
121.06504	5.8
121.10153	22.7
123.08083	12.1
123.11700	5.0
125.05965	1.7
125.09626	3.9
128.06203	3.2
129.07014	9.2
130.07806	2.1
131.08589	18.2
133.08609	17.9
133.10123	22.6
134.08850	3.0
134.10423	2.4
135.08090	9.9
135.11671	7.3
137.09615	9.3
139.11172	2.4
141.06931	2.8
142.07784	7.6
143.08586	13.9
144.09277	5.2
145.06502	3.2
145.10139	24.4
146.10449	2.7
147.08051	15.1
147.11667	8.4
149.09596	5.4
149.13217	1.7
151.07571	7.8
155.08572	3.2
156.09322	4.5
157.10120	12.6
158.10609	1.8
159.08047	4.7
159.11707	13.0
161.05960	1.8
161.09610	3.3
161.13237	5.7
163.11230	5.1
165.07016	3.0
165.09120	30.9
167.08543	2.8
167.10660	7.9
169.10168	10.2
170.10831	3.3
171.11684	8.4
173.09601	3.7
173.13235	5.8
175.11206	3.8
175.14786	7.5
177.11240	8.1
179.08542	3.3
181.10115	4.3
181.12273	6.1
182.10880	2.5
182.87691	1.5
183.11697	9.1
184.12254	2.0
185.13306	4.1
187.11247	1.8
187.14801	5.9
189.12721	3.8
191.14236	2.6
192.09285	1.6
193.10120	2.3
193.12344	1.9
195.11620	7.0
196.12288	3.1
197.13245	8.2
199.11136	2.0
199.14900	2.7
201.12759	1.9
203.14322	11.4
206.10857	2.0
207.11696	3.7
207.13788	5.5
208.12241	3.1
209.13245	5.4
209.15280	2.2
211.11024	2.7
211.14818	4.8
213.12753	2.2
213.16368	1.7
217.16011	1.8
221.13316	4.3
221.15363	57.5
223.11110	1.7
223.14757	3.4
225.12685	3.9
225.16269	1.7
233.15314	3.4
234.15775	2.5
235.14639	2.6
236.15080	2.2
237.16541	2.5
239.14503	2.6
247.17076	1.7
249.16327	3.5
251.14229	1.8
263.17978	2.1
265.19382	1.4
271.13348	2.3
283.20810	2.5
285.18478	1.8
287.20197	2.7
300.20743	3.1
313.27396	2.6
353.24265	1.9
365.24722	2.2
367.26120	3.1
384.11166	1.6
393.27689	2.5
415.25287	2.9
416.25891	2.8
491.35007	5.7
509.35950	3.3
521.35767	1.7
544.97729	1.5
583.41364	7.1
600.83264	1.7
601.42316	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12107	0.2
54.95243	0.2
65.03926	0.2
67.05479	0.3
68.08289	0.1
71.08169	0.2
75.63805	0.2
79.05473	0.4
80.05042	0.2
81.06969	0.2
85.24247	0.2
91.05456	0.8
93.07040	0.4
94.06587	1.2
100.02142	0.2
103.63417	0.2
105.07019	0.5
107.07324	0.9
107.08593	0.8
108.08082	0.7
113.31118	0.2
118.06539	0.2
119.07243	0.3
120.08073	0.8
122.06050	0.9
122.09677	3.6
124.11189	0.2
131.07242	0.2
131.08594	1.2
132.08049	0.6
133.08852	0.9
134.09653	1.9
136.07530	0.8
146.06007	0.2
146.09613	0.6
147.06790	0.4
147.09164	0.3
147.10323	0.2
148.07574	0.3
148.09998	0.3
148.11206	5.6
149.12000	1.1
150.09137	1.3
152.10687	0.2
158.09650	1.0
160.07632	0.4
162.09128	0.3
171.09143	0.4
171.10440	0.8
173.07025	0.5
174.07875	0.4
175.08632	0.4
176.09332	0.4
176.10728	5.1
184.06271	0.3
186.09178	1.1
186.12804	2.6
187.08649	0.6
189.06581	0.2
189.10223	0.8
189.11769	0.2
197.10719	1.1
198.11443	0.2
199.08694	0.4
199.12421	0.2
200.09380	0.3
201.06606	2.8
202.07378	11.1
204.10205	16.7
211.08649	0.4
212.09401	0.5
213.10284	0.9
215.08144	0.8
215.11746	0.2
217.09715	8.6
218.09987	0.2
220.09525	0.2
225.10277	0.4
225.13699	0.2
227.11751	0.3
228.08908	0.6
229.09589	0.3
231.11409	0.3
233.09213	3.9
235.10753	1.2
239.08128	0.3
240.08778	0.2
241.09686	0.5
243.07628	0.7
243.11255	1.1
253.09654	0.3
255.11285	0.3
257.09338	1.2
259.07343	0.2
259.10782	1.0
261.08713	100.0
262.09000	0.9
263.11920	0.2
269.09189	0.7
271.10818	1.1
273.08798	0.4
273.12418	0.2
285.08786	1.2
287.10239	4.3
288.11246	0.2
299.10242	1.7
301.11932	1.1
302.12964	1.9
303.13440	0.2
305.07739	1.5
305.16394	0.3
313.08145	2.8
315.09729	0.6
316.14474	1.1
317.15305	0.5
318.16177	0.3
330.12399	0.6
330.15970	0.4
331.16702	0.5
332.17828	0.2
343.13110	0.3
344.13925	0.7
346.19171	0.6
347.17465	1.8
353.22879	0.3
358.15424	0.4
359.16193	0.5
360.13297	1.2
361.14273	3.4
362.14926	0.4
364.20020	0.4
374.14935	1.5
375.15732	0.6
384.16479	0.2
388.12711	0.3
390.18158	7.5
398.17133	17.5
399.17551	0.3
408.19077	0.3
418.17639	11.8
419.18155	0.3
436.18738	5.3
438.20126	0.5
446.17282	0.6
450.17041	0.2
454.83865	0.2
464.18213	22.4
465.18863	0.5
499.76068	0.2
515.24933	0.2
527.26642	0.9
545.97620	0.2
555.26105	1.0
573.27057	4.6
583.25592	0.6
601.26611	17.3
602.27386	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
60.59647	0.2
63.69706	0.3
67.05470	0.5
67.77870	0.2
69.30244	0.9
69.30678	0.9
79.05466	0.3
91.05461	0.7
93.07016	0.4
94.06568	1.1
94.33858	0.2
105.06985	0.4
106.06551	0.2
107.07308	0.8
107.08560	0.9
108.08064	0.8
118.06525	0.3
119.07312	0.2
120.08047	0.7
122.06001	0.7
122.09666	3.2
131.08566	1.2
132.08049	0.5
133.08830	0.8
134.09673	1.8
136.07529	0.8
143.07379	0.3
146.09615	0.6
147.06792	0.2
148.07536	0.4
148.11218	6.0
149.12018	1.7
150.09158	1.6
152.10693	0.3
158.09654	0.5
159.08151	0.3
160.07561	0.3
161.08260	0.3
164.07083	0.4
171.09276	0.3
174.07874	0.4
175.08684	0.5
176.09335	0.5
176.10719	4.9
183.09189	0.4
184.09937	0.3
186.09152	1.4
187.08676	0.6
188.05864	0.3
189.06534	0.3
189.10249	0.9
197.10783	1.1
199.08656	0.4
199.12270	0.3
200.09349	0.3
201.06592	3.2
202.07365	11.7
204.10210	16.8
209.76056	0.2
211.08629	0.5
212.09386	0.6
213.10287	1.1
215.08199	0.7
215.11813	0.5
217.09724	9.6
218.12764	0.2
223.08626	0.2
225.10216	0.3
227.08116	0.3
227.11777	0.3
228.08844	0.5
231.07616	0.4
231.11382	0.3
233.09190	3.5
235.10776	1.7
240.08823	0.3
243.07625	0.5
243.11311	1.3
253.09663	0.3
255.11244	0.2
257.09283	1.6
259.10773	1.2
261.08716	100.0
262.09100	1.3
269.09268	0.7
271.10776	1.2
273.08896	0.3
273.12228	0.4
280.14319	0.2
285.08582	1.1
287.10281	5.1
288.11130	0.4
299.10278	1.5
301.11926	0.6
302.12946	2.0
305.07852	1.4
305.16403	0.4
313.08112	3.3
315.09766	0.8
315.13177	0.2
316.14401	0.9
317.15302	0.5
330.12296	0.7
330.16031	0.5
331.16785	0.6
344.13940	0.6
346.19202	0.6
347.17538	1.6
358.15591	0.3
359.16269	0.6
360.13406	1.5
361.14258	3.1
362.14944	0.4
364.20349	0.4
374.14954	1.7
374.18814	0.4
375.15936	0.5
380.16107	0.3
388.12875	0.4
390.18164	7.5
392.19586	0.3
398.17114	19.5
408.19211	0.5
418.17645	11.3
433.17184	0.3
434.95676	0.2
436.18713	5.2
438.20398	0.8
446.17203	0.9
450.16541	0.3
464.18207	21.0
465.18585	0.5
527.26276	0.9
555.25848	1.0
573.27148	2.2
601.26636	16.0
602.27045	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.6
52.08817	0.4
53.03935	2.3
54.04637	0.6
55.01862	0.5
55.05511	2.1
57.03438	0.9
57.07072	2.1
58.06348	0.6
58.06606	6.2
59.04984	0.7
59.07377	1.7
60.08160	1.4
65.03935	0.5
67.05511	3.9
69.03429	0.8
69.07072	2.0
71.02782	0.4
71.04999	0.7
71.08620	1.2
77.03941	0.9
79.05079	0.7
79.05499	8.9
81.07063	5.1
83.04978	1.5
83.08629	1.3
85.02911	0.7
85.06537	0.7
85.10195	0.5
87.04471	2.1
87.38525	0.5
89.05494	0.6
89.06033	9.6
91.05492	5.9
93.07058	7.1
95.04977	3.1
95.08607	3.6
97.06553	1.5
98.20785	0.8
102.71584	0.4
103.05463	5.0
105.07035	100.0
106.07339	0.7
107.08606	5.4
108.08929	0.4
109.06519	1.1
109.10162	2.3
111.08090	0.6
115.05438	0.9
117.07015	1.9
119.04948	0.4
119.08581	7.2
119.09366	0.6
120.09349	0.5
121.06515	11.1
121.10153	4.9
123.08084	2.5
123.11748	0.5
125.09579	0.9
128.06213	1.3
128.99374	0.6
129.06998	2.3
130.07813	0.7
131.08566	4.7
133.08633	4.0
133.10139	4.4
135.08064	0.8
135.11697	1.2
137.09660	0.8
141.07007	1.3
142.07808	2.3
143.08597	4.0
144.09358	1.0
144.10251	2.8
145.06522	0.7
145.10133	5.1
147.08038	2.2
147.11694	1.8
149.09653	1.8
151.07545	0.6
153.07047	0.5
154.07813	0.5
155.08551	1.3
155.10658	0.6
156.09372	1.7
157.10123	5.5
158.10927	1.2
159.08070	0.8
159.11705	3.3
160.08830	0.5
161.09656	1.4
161.13280	0.4
162.11339	1.2
163.11142	0.9
165.07039	0.9
165.09119	4.7
167.08612	1.2
167.10725	1.1
168.09357	0.8
169.10147	2.7
170.10852	0.8
171.11737	3.5
173.09660	1.2
173.13264	1.7
175.11229	1.3
175.14911	1.0
177.11357	0.8
177.12691	0.6
179.08578	0.9
180.09435	0.8
181.10136	2.3
182.10931	0.8
183.10287	0.7
183.11621	2.1
185.09639	0.7
185.13235	2.1
187.11192	0.8
187.14873	0.9
189.12825	1.0
192.09360	0.9
193.10175	1.4
193.12238	0.4
194.10921	0.6
195.11670	2.2
196.12502	1.0
197.13300	2.2
199.11224	0.6
199.14821	1.0
203.14320	1.4
207.11726	1.8
208.12540	0.7
209.11664	0.8
209.13351	3.8
210.13902	0.6
211.14879	1.4
213.12738	0.7
213.16463	0.5
215.14305	0.8
219.11716	0.7
221.13330	1.3
221.15450	2.6
223.14886	1.4
225.12830	1.2
225.16495	0.7
227.14383	0.4
233.13339	0.7
233.15404	1.5
234.16147	0.5
235.14972	1.0
236.14938	15.2
237.12740	0.7
237.16473	0.6
241.15733	0.5
247.14662	0.9
247.17049	0.5
251.14413	1.5
253.16011	0.5
255.17441	2.9
261.16467	1.1
263.17941	0.5
269.15463	0.8
270.19815	0.5
271.15393	25.3
273.18915	0.5
281.19040	0.6
295.20511	0.4
314.12555	0.4
329.19101	0.4
344.20764	1.4
348.91422	0.4
352.24106	0.9
362.21841	1.5
365.24609	0.6
375.21698	16.9
383.25970	0.7
456.36948	1.3
474.37704	2.5
479.28278	1.9
503.71646	0.5
582.43311	0.8
600.44775	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	2.7
53.03951	3.2
55.05518	11.5
57.03429	2.3
57.07082	33.5
59.04998	5.8
64.39420	2.3
65.03942	3.2
67.05506	17.9
69.03413	3.3
69.07070	12.4
69.56107	13.4
71.05006	3.0
71.08643	21.9
71.14312	2.4
73.06553	8.4
74.55100	2.0
79.05497	20.4
81.07062	22.3
83.04980	11.3
83.08624	8.9
85.06554	5.3
85.10194	19.0
87.04478	7.4
89.06043	100.0
91.05484	28.1
93.07048	34.7
95.04966	9.7
95.08622	18.7
97.06559	6.5
97.10181	9.4
99.11771	2.4
100.89402	2.3
105.07047	44.9
107.04972	2.9
107.08600	31.2
109.06548	8.3
109.10155	19.1
111.08103	4.3
111.11681	3.1
113.09651	3.6
115.05460	6.6
116.06243	4.1
117.07029	9.8
117.09144	6.6
119.08589	36.4
121.06538	6.4
121.10155	23.8
123.08083	14.1
123.11710	6.1
125.09645	4.8
128.06250	7.0
129.07027	11.2
130.07773	4.1
131.07069	4.1
131.08588	21.7
133.08623	53.4
133.10132	28.0
135.08063	9.4
135.11726	8.1
137.09619	5.4
141.06946	5.6
142.07826	13.4
143.08556	23.4
144.09364	8.5
145.06456	3.3
145.10144	33.7
146.10841	3.1
147.08046	8.0
147.11708	9.8
149.09619	7.9
149.13287	3.5
151.07567	3.1
155.08578	8.2
155.10622	4.9
156.09360	12.1
157.10138	32.0
158.10909	4.7
159.08139	5.8
159.11703	21.3
161.09662	9.9
161.13255	4.1
163.11267	4.4
165.07016	2.7
165.09094	5.1
167.08527	6.4
167.10744	8.0
168.09421	5.9
169.10181	14.3
169.19637	2.9
170.10971	3.4
171.08054	3.6
171.11751	16.3
173.09602	5.7
173.13295	12.0
175.11218	9.8
177.11252	22.9
177.12596	4.2
179.08569	5.5
180.09395	3.7
181.10112	11.3
182.10927	5.4
183.11729	14.7
185.09592	3.6
185.13261	11.6
187.11110	4.4
187.14819	5.8
193.10121	9.1
194.10951	3.6
195.11746	16.0
196.12494	6.0
197.13316	12.8
199.11253	3.2
199.14885	8.9
201.16383	2.5
203.14349	6.1
205.10208	3.0
206.10956	3.5
207.11678	9.5
208.12476	6.6
209.13338	15.2
209.15080	3.7
211.11197	5.2
211.14845	14.5
213.12724	3.7
213.16382	4.0
213.22273	2.6
215.14221	3.3
219.11713	5.5
220.12466	5.8
221.13397	8.8
221.15410	9.3
222.14075	4.1
223.14946	8.1
225.12778	4.6
225.16367	5.8
227.14397	3.4
232.12524	3.5
233.13289	5.6
233.15413	12.5
234.16087	3.9
235.14905	7.7
237.16455	7.3
239.18002	5.6
245.13383	2.8
247.14848	3.1
249.16290	3.8
253.15826	3.8
255.17482	18.4
257.24786	8.1
261.16504	3.8
263.18002	5.3
265.16483	3.4
265.19556	5.9
269.19006	3.8
270.19763	3.5
289.19550	4.3
299.20224	3.4
301.27576	3.3
327.20517	2.9
349.37488	2.6
365.24728	3.4
382.35681	2.3
383.25928	3.4
415.25610	4.7
425.46228	2.4
583.43958	3.3
590.82587	2.6
600.41266	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.4
55.01869	1.9
55.05306	2.0
55.05511	21.6
57.07063	7.2
59.04993	8.2
65.03938	6.2
66.34606	2.0
66.48775	1.9
67.05502	29.7
69.03432	11.3
69.07058	18.2
71.04979	7.3
74.00410	2.0
76.07697	2.2
77.03926	2.9
78.70446	2.0
79.05492	37.5
80.16252	1.9
81.07054	41.9
83.04969	17.7
83.08603	15.4
85.02882	2.2
85.06535	7.8
87.04478	4.0
91.04903	3.4
91.05477	60.1
93.07043	64.6
95.04967	22.3
95.08045	4.0
95.08599	34.2
97.06535	13.0
99.08057	2.7
101.55872	2.2
103.05452	5.7
105.04568	2.5
105.07027	100.0
107.04959	5.2
107.08591	68.2
109.06520	23.4
109.09477	3.0
109.10165	33.7
111.08089	6.1
113.09640	5.5
115.05441	6.8
116.06200	3.3
117.07032	25.1
119.06092	2.9
119.08579	83.1
120.09385	2.6
121.06499	11.4
121.10138	51.9
123.08077	33.8
123.11709	5.0
125.06021	3.0
125.09618	12.8
128.06203	15.7
129.06990	23.7
130.07780	10.6
131.08563	46.6
132.09351	5.0
133.06497	6.4
133.10129	51.3
134.10941	3.3
135.08060	16.6
135.11682	14.2
136.08794	3.0
137.09592	11.6
139.11179	4.9
141.06989	13.4
142.07780	27.0
143.08557	51.8
144.09372	10.7
145.06482	6.1
145.10126	69.9
146.10870	4.4
147.08038	18.4
147.11684	23.8
148.08846	3.8
149.09610	19.4
151.07515	9.8
151.11185	2.8
153.06979	6.4
154.07806	4.2
155.08549	22.3
155.10680	8.1
156.09322	23.8
157.10126	62.2
158.10957	10.0
159.08051	20.3
159.11687	45.5
160.08788	8.6
161.09596	15.9
161.13272	7.4
162.10402	2.6
163.11154	12.2
165.06996	8.6
165.09137	12.5
166.07796	5.2
167.08586	9.9
167.10684	16.1
168.09337	5.9
169.10117	31.9
170.10889	9.5
171.08047	2.5
171.11685	40.1
172.08990	2.4
172.12422	4.2
173.09660	11.7
173.13257	26.3
174.10469	2.7
175.11214	17.4
175.14774	5.3
177.12778	4.1
178.07858	2.5
179.08604	14.9
179.10611	2.3
180.09344	6.0
181.10120	23.5
181.12215	8.8
182.10905	11.5
183.08083	2.4
183.11687	35.2
184.12450	6.2
185.09601	5.1
185.13254	23.3
186.10461	2.9
186.14024	6.0
187.11119	10.1
187.14838	11.0
189.12749	9.6
190.13454	3.8
191.14355	3.9
192.09303	4.4
193.10173	18.7
193.11972	3.4
194.10974	14.3
195.11702	32.4
196.12476	9.4
197.13274	32.0
198.13995	3.1
199.11160	8.7
199.14703	14.7
200.11949	2.5
201.12674	10.1
201.16368	3.5
203.14325	13.6
205.10164	9.0
206.10950	8.1
207.11690	18.5
207.13802	7.3
208.12579	9.9
208.14317	2.7
209.13258	29.9
209.15179	3.7
210.14069	3.9
211.11203	6.9
211.14775	19.9
212.12009	2.3
212.15598	2.2
213.12872	11.0
213.16396	8.5
215.14348	9.0
217.10109	4.1
217.15849	6.8
218.16696	4.1
219.11711	6.6
220.12428	6.4
221.13239	13.6
221.15361	25.9
222.13971	4.9
223.14787	15.6
224.15630	5.0
225.12743	9.6
225.16415	10.4
227.14287	7.5
229.15819	3.8
231.11682	5.2
232.12407	4.5
233.13222	8.2
233.15369	28.1
234.13924	5.7
234.16119	7.5
235.14841	14.0
236.15456	4.3
237.16617	11.6
239.14281	5.7
239.17949	5.9
241.15878	5.5
243.11623	2.6
243.17322	2.3
244.12444	2.6
245.13185	6.4
245.15424	3.2
246.13948	3.2
247.14743	7.4
247.16945	5.1
248.15601	3.9
249.12718	2.6
249.16354	11.7
251.17961	5.0
253.15881	6.3
253.19559	3.7
255.17400	36.5
257.19037	2.8
259.14801	6.5
259.17279	3.4
261.13458	2.2
261.16403	8.8
262.17087	2.6
263.17923	9.8
265.19623	3.9
267.17752	4.0
268.18207	4.1
269.18945	9.4
270.19766	5.1
271.16968	5.0
273.18726	4.8
275.17743	4.7
277.19412	3.2
279.17419	4.9
281.19009	8.7
283.20364	2.8
285.18625	3.3
286.19135	2.9
287.20096	6.3
289.19714	2.8
291.17542	3.8
291.21011	2.8
294.19608	3.5
295.20627	4.6
297.18469	3.8
299.20038	8.9
303.19623	6.7
305.18762	2.4
307.20633	2.9
313.21664	4.2
325.21677	4.1
337.21344	2.4
347.23599	5.2
349.25394	3.3
352.23837	14.8
360.24319	2.9
365.24695	12.4
383.25797	8.6
504.60236	2.4
507.34052	2.8
508.35242	2.5
520.35413	8.9
525.83118	2.2
582.41339	4.4
600.41583	17.4
610.94800	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.3
55.01859	3.3
55.05513	15.1
57.07061	8.4
58.06585	6.0
59.04994	8.2
64.43156	2.9
65.03926	4.0
67.05502	20.7
69.03417	9.5
69.07072	15.9
69.26646	28.0
71.04997	3.3
73.27895	2.7
79.05500	29.0
81.07051	28.1
83.04977	15.3
83.08630	6.0
85.06535	4.8
89.06022	7.1
91.05481	40.8
93.07054	54.8
95.04983	15.8
95.08622	31.4
97.06530	8.0
98.20789	6.2
103.05477	6.2
105.07039	100.0
107.08597	42.8
109.06512	13.5
109.10175	16.8
111.08077	6.8
115.05441	5.6
117.07021	17.3
119.08582	63.6
121.06477	10.7
121.10154	41.4
123.08053	23.3
125.09587	7.6
126.50467	3.6
128.06224	8.5
129.06979	14.9
130.07747	6.6
131.08571	33.1
133.06503	7.9
133.10144	30.2
135.08032	15.4
135.11659	14.0
137.09612	14.3
141.06972	7.5
142.07806	22.7
143.08565	42.1
144.09309	8.7
144.10294	4.7
145.10130	45.4
146.10658	3.1
147.08070	20.5
147.11684	12.3
149.09602	13.1
151.07521	11.5
153.06841	3.5
155.08560	11.4
156.09352	16.2
157.10132	57.9
158.10872	7.4
159.08064	16.6
159.11705	31.5
161.09612	14.3
161.13161	6.9
162.36378	3.6
163.11208	9.5
165.06970	6.7
165.09105	29.6
166.07794	3.1
167.08554	5.4
167.10687	13.6
168.09277	5.7
169.10107	20.2
170.10898	11.5
171.11684	33.0
172.12436	6.0
173.09576	11.3
173.13341	15.7
174.10336	5.1
175.11256	20.1
175.14832	4.8
177.12709	3.8
179.08543	8.1
180.09341	5.0
181.10115	9.0
181.12328	6.8
182.10887	9.1
183.11671	18.9
185.09650	4.3
185.13263	17.0
186.10478	3.9
187.11205	6.6
187.14836	4.7
189.12775	10.5
190.13521	9.9
191.14288	6.6
193.10126	13.1
193.12015	5.5
194.10938	7.7
195.11684	17.0
196.12415	5.7
197.09659	4.1
197.11765	3.4
197.13297	22.2
199.11169	5.6
199.14772	4.0
201.12755	7.1
201.77428	3.2
203.14355	18.7
205.10144	5.4
207.11687	14.1
207.13770	10.2
208.12532	5.1
208.14622	7.1
209.13304	20.9
209.15047	4.6
211.11150	5.8
211.14848	9.0
213.12805	6.8
215.14172	5.6
219.13580	3.6
221.13208	11.0
221.15327	53.7
223.14749	10.8
225.16370	6.7
227.14362	4.1
229.15923	4.0
231.11711	4.5
232.12259	3.7
233.13361	6.8
233.15288	16.9
234.16144	5.1
235.14749	8.5
236.14951	24.0
237.12727	5.8
237.14577	21.3
245.13158	6.0
247.14732	7.5
247.16977	7.5
248.14058	7.7
249.16408	6.8
253.15971	4.4
255.17458	17.1
261.16336	5.4
269.19064	3.5
270.19608	4.7
271.15372	11.0
274.19308	10.3
277.19482	3.6
279.17435	4.8
281.18997	6.4
283.20303	3.8
285.18646	4.1
286.19257	10.2
287.20084	4.9
294.19891	5.9
299.20169	10.8
303.19476	26.8
312.20590	4.1
313.21490	12.0
325.21542	7.7
337.21658	6.4
352.23950	57.7
359.23853	4.5
365.24734	12.7
375.21387	5.8
377.24539	7.6
383.25690	4.3
420.30286	3.8
474.37799	5.9
487.31839	4.2
502.34381	5.6
503.35193	7.7
508.35083	8.4
520.35388	23.8
582.42719	7.4
583.41284	3.7
600.42761	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	9.8
57.03396	2.4
57.07076	20.9
57.17882	2.1
59.04997	17.9
59.82386	2.2
65.03918	2.6
67.05508	18.3
68.20702	2.4
69.03428	8.8
69.07060	9.3
70.06588	3.9
71.08617	5.2
79.05501	20.0
81.07053	24.5
83.04985	8.6
83.08613	6.7
85.06543	7.3
87.04465	4.8
89.06027	17.3
90.63776	2.3
91.05485	33.3
93.07036	37.3
95.04959	8.4
95.08606	27.6
97.06517	7.0
98.20732	5.9
101.06036	3.2
105.07024	49.2
106.07362	3.6
107.04977	4.3
107.08603	20.6
109.06520	9.4
109.10167	10.4
115.05455	3.5
117.06985	11.3
119.08588	58.7
121.06514	9.0
121.10136	20.6
123.08054	18.4
124.08355	2.9
125.05997	6.6
126.44843	2.6
128.06239	7.0
129.06982	8.4
130.07787	3.9
131.08560	25.3
132.10272	2.9
133.06529	3.8
133.08589	6.8
133.10118	22.1
135.08063	14.9
135.11700	5.5
137.09613	16.7
141.07004	5.1
142.07785	10.5
143.08559	22.0
144.09258	5.9
145.10114	37.0
146.10614	2.4
147.08043	30.5
147.11699	5.4
148.08423	3.4
149.09612	11.4
151.07579	10.1
155.08556	10.5
156.09344	8.8
157.10141	30.7
158.10732	3.4
159.08055	6.7
159.11697	24.5
160.08826	5.2
161.09650	11.3
161.13274	8.3
163.11185	12.5
165.09128	44.6
166.09453	6.0
167.08580	6.7
169.10130	14.3
170.10826	4.1
171.11702	17.9
172.12267	3.7
173.09621	8.1
173.13293	7.9
175.11182	17.8
175.14824	3.5
177.09155	3.4
177.11234	4.4
179.08554	3.0
181.10100	6.9
181.12227	18.7
182.10957	4.5
183.11647	12.8
184.12244	2.6
185.09641	5.3
185.13173	11.4
187.11128	7.3
189.12749	8.5
190.13519	6.2
191.10672	7.1
193.10329	3.7
193.12248	9.2
195.11757	6.4
196.12318	2.8
197.13232	10.6
199.11096	6.1
199.14879	3.3
201.12781	5.8
203.14349	18.9
207.11700	7.5
207.13806	8.0
208.14542	7.9
209.13245	9.7
209.15329	2.5
210.10391	2.5
211.11224	4.1
211.14862	10.3
215.14342	3.5
216.15010	2.9
219.13777	5.5
220.12395	3.5
221.13394	5.2
221.15363	100.0
222.15730	18.6
223.14728	4.9
225.12811	4.6
225.16360	3.6
227.14481	3.2
229.15848	3.3
231.13806	3.8
233.10934	2.4
233.13248	4.2
233.15431	4.7
234.16145	18.4
235.14774	3.1
237.12920	4.3
237.16235	2.9
241.15959	3.5
247.14803	3.4
247.16974	25.1
248.17439	6.8
251.14142	2.4
251.18079	2.6
253.16017	2.6
259.16901	3.2
271.17087	2.7
273.18604	3.7
274.19174	8.5
283.26257	9.4
286.19211	5.3
287.20117	12.8
288.20493	2.6
299.20084	10.1
300.28900	3.0
312.20853	7.0
313.21603	8.9
313.27390	6.4
316.38596	2.4
325.21634	15.1
339.22995	3.3
340.24109	14.3
352.23944	24.8
365.24957	6.1
379.26508	3.5
387.25327	6.9
391.26218	8.3
392.26883	5.2
413.26569	4.1
419.29321	5.3
420.30078	3.9
425.26782	8.5
426.27490	4.3
427.28479	13.9
440.29221	36.0
442.30627	2.9
508.35367	5.7
520.35370	28.0
600.41748	39.6
600.56073	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.7
55.05503	8.9
55.05966	2.3
56.96246	2.4
57.07059	10.6
57.07313	2.5
58.31678	2.5
59.04994	3.4
62.54364	2.4
67.05486	11.8
69.03420	11.2
69.07082	2.8
69.42300	10.0
69.42716	8.9
71.07008	2.8
79.05490	14.8
81.07059	16.5
83.04983	4.7
85.06554	4.7
91.05494	27.4
93.07048	35.5
95.04971	8.9
95.08619	13.0
97.06520	5.2
98.20795	5.4
98.21456	6.1
105.07043	48.6
107.08592	22.3
108.83904	2.5
109.06509	12.2
109.10143	7.4
111.08059	3.1
115.05518	3.7
117.07014	14.7
119.08598	46.6
121.06503	8.8
121.10152	20.2
123.08089	17.4
123.11729	2.5
125.05978	9.7
128.06209	6.5
129.07001	11.0
130.07732	3.4
131.08588	20.2
133.06473	4.5
133.10141	24.3
134.10904	2.8
135.08064	20.5
135.11690	9.7
136.08614	2.4
137.09616	17.3
139.07491	4.3
141.07004	4.5
142.07779	10.9
143.08549	19.6
144.09242	4.6
145.10132	31.1
147.08051	27.0
147.11659	7.6
149.09624	9.6
151.07567	14.9
151.11230	2.9
153.06998	2.4
155.08537	12.2
156.09349	9.0
157.10156	29.4
158.10863	8.0
159.08032	5.5
159.11713	21.3
160.08759	3.8
161.09612	8.8
161.13264	6.2
163.11176	18.5
165.06998	3.2
165.09119	60.5
166.09465	5.9
168.09294	5.0
169.10078	14.5
170.10837	4.5
171.11646	19.2
172.12537	4.9
173.09637	7.6
173.13268	7.4
175.11220	18.7
177.09102	6.5
178.07664	2.8
178.09831	3.0
179.10658	2.7
180.09311	3.2
181.10147	9.1
181.12202	16.8
183.11694	15.7
184.12125	3.4
185.13249	10.8
187.11195	6.3
189.12761	8.1
190.13478	6.4
191.10634	6.3
193.10330	5.4
193.12221	16.2
194.10825	3.8
195.11630	9.6
195.13733	2.9
196.12430	7.9
197.13225	11.8
199.11159	5.2
201.12688	5.7
203.14317	20.6
204.14745	4.3
207.11804	5.1
207.13792	15.4
207.15564	2.7
208.12573	3.1
208.14516	9.6
209.13252	7.5
210.13821	2.9
211.14827	10.7
213.12778	4.0
219.11787	3.4
219.13794	8.3
221.13324	8.0
221.15355	100.0
222.15703	20.8
223.14891	6.5
225.12695	5.0
225.16341	6.5
227.14459	3.4
231.13818	3.4
233.15361	3.4
234.16234	17.7
235.14857	3.2
237.16292	3.2
241.15892	5.4
247.14615	3.8
247.16980	35.5
259.17133	5.7
268.18219	3.1
271.17007	3.0
274.19299	10.6
285.18323	4.7
286.19373	3.3
287.20126	12.6
299.20084	15.1
300.20532	4.0
305.78049	2.9
311.19983	6.0
312.20755	7.3
313.21713	4.8
325.21542	12.4
327.23184	3.8
337.21701	4.0
339.23215	4.0
340.23996	12.5
352.23990	33.0
365.24850	6.9
387.25256	4.1
391.26471	3.0
392.26688	7.5
413.26831	4.7
419.29327	11.0
420.29953	5.2
425.26910	5.0
426.27841	3.6
427.28326	15.0
428.29053	4.5
428.90314	2.7
440.29251	37.8
442.30569	4.1
507.34424	4.5
508.35721	12.9
520.35419	33.5
582.40417	3.7
585.38660	5.0
600.41431	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	600.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92911	2.7
52.51632	2.5
55.01871	4.3
55.05500	7.0
57.07081	12.3
59.05000	3.7
65.03950	2.6
65.61140	2.4
67.05505	22.8
69.03444	7.2
69.07055	5.9
70.74334	6.8
71.01711	2.7
74.05731	2.9
79.05504	17.6
81.07056	24.6
83.04994	9.3
83.08633	2.6
85.06554	5.0
86.60674	2.5
89.06042	4.7
91.05489	24.2
93.07058	30.8
94.07351	3.1
95.04974	10.0
95.08613	18.9
97.06535	9.4
105.07032	49.4
107.08608	20.4
109.06528	10.5
109.10153	7.3
115.05473	3.1
116.98790	2.6
117.07069	12.6
119.08586	56.8
121.06541	7.1
121.10146	20.6
122.07312	4.3
123.08108	18.7
125.06010	7.9
128.06212	6.3
129.07005	11.7
130.07816	4.6
131.08582	27.4
133.06552	3.9
133.10143	25.5
135.08049	17.9
135.11708	9.6
137.09592	19.3
139.07564	2.9
141.07034	5.2
142.07835	9.9
143.08585	22.4
144.09349	5.4
145.06577	2.3
145.10141	31.1
147.08063	27.2
147.11732	7.3
149.09628	11.5
151.07527	13.0
155.08560	10.7
156.09367	10.1
157.10139	36.0
158.10873	2.8
159.08095	9.0
159.11737	23.6
160.08864	2.9
161.09605	11.8
161.13269	4.9
163.11188	20.4
165.09145	42.4
167.08585	4.5
169.10191	14.2
170.10927	6.4
171.11685	22.2
172.12366	4.2
173.09645	7.4
173.13280	8.3
175.11226	18.5
176.11903	4.0
177.12782	3.8
179.08437	2.8
179.10645	2.4
180.09286	2.8
181.10150	8.5
181.12215	19.4
182.10959	3.6
183.11723	13.1
184.12566	3.2
185.13283	11.0
187.11227	4.9
187.14862	3.0
189.12749	7.8
190.13608	4.8
191.10663	4.7
193.12263	9.8
194.10927	3.1
195.11745	10.0
196.12433	4.2
197.09645	2.9
197.13211	13.4
199.11214	5.2
199.14856	3.0
201.12784	9.8
203.14285	18.4
207.11687	8.6
207.13872	12.2
208.12665	2.7
208.14603	11.3
209.13390	5.6
209.87347	2.7
211.14850	11.0
213.12791	4.9
215.14365	4.3
219.13806	8.8
221.13280	7.4
221.15373	100.0
222.15746	6.2
223.14890	4.6
225.12773	3.3
225.16307	4.3
227.14291	4.3
229.12163	2.7
229.15915	3.1
233.13342	3.5
233.15398	5.8
234.16052	20.6
235.14812	4.2
239.14331	3.9
243.13989	2.9
247.16936	33.5
248.17599	3.2
251.62257	2.6
256.21429	2.4
259.16998	5.9
260.17926	3.2
269.15424	2.8
274.19269	13.5
274.66592	2.8
279.17389	3.7
281.18930	3.5
286.19385	6.8
287.20065	12.5
297.18179	3.0
299.19989	18.0
312.20880	7.5
313.21579	5.6
313.27292	3.6
325.21591	13.9
327.23428	2.7
339.23239	6.4
340.24084	16.6
352.23987	30.0
365.24628	7.7
366.25510	3.7
377.24713	2.6
379.26309	5.4
387.25378	6.3
391.26230	4.1
392.27191	5.6
413.26804	4.6
419.29523	10.0
420.30402	4.0
425.27084	8.1
426.27313	3.6
427.28430	11.2
440.29248	52.7
487.75903	2.6
508.35681	5.4
510.67355	2.5
520.35400	32.2
585.39215	5.1
600.41687	34.2
604.87506	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	600.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02102	5.2
55.05505	15.6
56.88847	4.7
57.06463	4.8
57.07070	20.2
59.04991	9.8
65.44788	4.7
67.05515	31.7
69.03426	11.4
69.07069	14.3
70.01479	4.2
74.54119	4.4
79.05488	26.4
81.07062	41.6
83.04987	10.3
83.08622	8.4
85.06532	10.7
87.04444	6.4
89.06043	28.3
91.05474	50.1
93.07053	49.4
95.04974	19.4
95.08607	39.7
97.06543	14.0
98.21616	9.0
105.07034	81.9
107.08600	40.9
109.06502	12.7
109.10176	23.8
111.08098	7.1
117.07017	21.4
119.08584	77.4
121.06498	9.7
121.10170	37.3
123.08071	27.1
125.05968	10.3
125.09654	7.8
125.83625	4.8
129.07034	24.4
131.08551	34.9
133.08595	14.9
133.10132	31.0
135.08051	17.6
135.11665	13.8
137.09612	18.3
139.11165	6.8
140.02684	5.3
141.07040	8.8
142.07782	18.9
143.08566	35.9
144.09271	11.0
145.10121	66.2
146.45245	5.0
147.08066	33.6
147.11685	15.4
149.09647	11.7
151.07603	11.7
155.08556	16.5
155.10686	7.2
156.09320	15.9
157.10149	54.5
158.10938	7.4
159.08009	7.6
159.11745	35.5
160.08693	5.5
161.09624	14.0
161.13300	6.2
163.11180	20.4
165.09135	35.8
167.08575	8.6
167.10722	5.4
169.10118	20.9
170.10965	8.7
171.11726	33.0
172.12474	9.6
173.09665	9.9
173.13278	14.8
174.94627	5.0
175.11208	23.8
177.08978	5.7
177.11340	6.0
179.08578	8.3
181.10126	15.0
181.12227	17.4
182.10930	10.2
183.11740	24.8
184.12462	6.3
185.09717	8.2
185.13231	16.6
186.13768	4.5
187.14816	10.5
189.12724	12.4
190.13568	8.1
193.10124	8.2
193.12248	12.6
194.10912	6.7
195.11697	19.2
196.12459	6.8
197.13248	21.8
198.92970	4.3
199.11208	7.7
201.12860	7.2
203.14331	19.5
207.11861	10.9
207.13794	11.4
208.12610	6.8
208.14577	15.8
209.13219	15.2
210.13960	5.2
211.11279	6.2
211.14873	11.3
213.16298	6.3
219.11705	7.4
219.13904	9.3
221.13358	9.5
221.15343	100.0
222.15666	8.8
223.14810	8.5
225.12793	7.1
225.16466	6.1
234.16200	18.9
235.14969	9.5
237.12770	5.9
237.95850	4.7
247.16966	10.9
255.17625	6.9
260.31451	4.6
274.19339	13.1
277.19351	5.8
279.17599	5.1
286.19260	6.8
287.19962	11.8
291.21091	5.5
299.19971	14.7
300.20166	6.7
311.20328	6.1
312.20792	7.6
313.21521	7.0
313.27390	8.0
325.21490	11.6
326.22412	6.8
334.21243	6.4
337.21506	7.6
340.23868	5.3
352.23981	73.8
365.24707	12.4
440.29214	11.7
507.34659	11.9
508.35419	10.1
520.35620	73.6
567.70947	6.2
600.41656	40.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01583	0.3
50.28783	0.3
51.02371	0.4
53.03949	1.5
55.05515	0.5
57.03417	0.3
57.07071	1.0
58.06607	2.5
59.04993	0.5
59.07370	0.7
60.08162	0.6
64.89889	0.3
67.05491	1.1
69.03419	0.3
69.07063	0.7
69.28114	1.1
69.28544	1.1
71.08638	0.4
77.03936	0.5
79.05491	6.5
81.07050	2.0
83.05000	0.5
85.06528	0.3
87.04476	1.3
89.05495	0.5
89.06036	9.9
91.05486	2.1
91.61889	0.3
93.07047	3.8
95.04982	1.3
95.08604	1.0
97.06553	0.4
103.05466	4.9
105.07036	100.0
106.07356	0.8
107.08588	2.1
108.96063	0.3
109.06519	0.8
109.10175	0.8
117.07033	0.6
119.08583	2.3
119.70989	0.3
121.06509	10.6
121.10136	1.4
123.08058	0.9
123.11765	0.3
127.89312	0.2
128.06252	0.3
129.07018	0.9
131.07065	0.3
131.08575	1.6
133.08629	3.8
133.10114	1.3
135.08081	0.4
135.11690	0.4
141.07027	0.4
142.07796	0.9
143.08580	1.5
144.10207	1.0
145.10127	1.8
146.10663	0.3
147.08046	1.6
147.11740	0.6
149.09601	0.7
153.07007	0.3
155.08553	0.5
156.09285	0.8
157.10123	2.4
159.08028	0.3
159.11702	0.8
161.09647	0.7
161.13185	0.3
162.11320	0.5
163.11230	0.4
165.07027	0.4
165.09117	4.8
166.07730	0.3
167.08571	0.5
167.10670	0.7
169.10139	0.8
170.11002	0.4
171.11710	1.3
173.09560	0.5
173.13301	0.4
175.11365	0.5
177.11264	1.4
179.08562	0.4
180.09370	0.5
181.10205	0.4
183.10176	0.5
183.11723	0.6
185.13290	0.6
187.11201	0.3
194.10924	0.7
195.11728	0.6
197.13321	0.7
203.14285	0.3
207.11765	0.5
209.11647	0.6
209.13290	3.1
213.12878	0.3
215.14323	0.3
221.15414	0.7
223.14839	0.4
225.12770	0.9
225.16415	0.3
233.15414	0.4
236.14943	5.9
237.16501	0.4
249.16507	0.4
251.14345	1.2
255.17448	0.7
269.15317	0.6
271.15414	31.4
272.15823	0.4
303.19559	0.4
313.18112	0.3
329.18967	0.7
344.20779	0.7
352.23923	0.6
362.21811	0.8
375.21677	19.9
456.36584	0.6
474.37851	1.7
477.26489	0.5
479.28116	2.3
520.35541	0.4
550.55988	0.3
582.43237	0.3
600.44806	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	600.295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
55.01875	1.9
55.05519	3.6
56.05032	0.9
56.75961	0.3
57.03434	0.8
57.07082	0.6
57.98799	0.7
58.99588	18.9
59.40583	0.4
61.01159	0.5
67.05505	9.4
67.43437	0.3
69.03427	0.9
69.07066	4.0
70.10692	1.5
71.05008	1.0
73.01174	0.6
76.02232	83.1
76.03982	2.8
79.05497	6.9
80.05022	0.9
81.03435	0.6
81.07065	11.3
83.04982	2.9
83.06118	1.7
83.08623	1.7
84.04508	14.2
85.06551	1.0
86.99049	3.1
88.02218	1.6
91.05488	7.2
93.07050	10.3
94.06564	0.7
95.04993	2.7
95.08614	8.5
97.01126	0.5
97.06543	1.9
97.10163	1.3
98.20695	0.5
99.05585	1.2
102.05545	0.4
105.07033	11.0
107.04974	2.9
107.08601	6.9
109.06519	3.9
109.10165	3.3
111.08097	0.8
114.03762	0.9
116.01682	24.5
117.07022	2.8
119.08595	6.5
121.06523	3.4
121.10139	4.2
122.09673	0.5
123.08080	2.2
123.11723	1.1
124.02157	0.5
129.06712	2.1
130.05008	7.2
131.08574	6.8
133.06496	1.7
133.10133	6.9
135.08055	1.9
135.11723	1.7
137.06026	0.5
137.09651	0.6
137.13283	0.5
139.07520	0.5
141.04807	0.5
141.06943	0.4
142.03230	6.9
143.08539	1.8
144.01158	13.8
145.06236	1.1
145.10141	4.6
146.02722	0.6
147.08051	1.4
147.11696	4.9
148.11214	0.6
149.09601	2.4
149.13242	1.3
151.11119	2.2
153.06599	0.7
155.08525	0.9
157.10069	2.0
159.08029	0.6
159.11700	3.9
161.09668	1.8
161.13237	1.8
162.02213	46.2
162.10484	0.4
163.11215	2.2
163.14851	0.5
165.08954	0.4
169.10077	0.7
170.02702	2.9
171.11641	1.8
173.09631	1.2
173.13287	2.7
175.11183	1.5
176.10875	0.4
177.12772	0.9
179.04863	100.0
180.05206	0.7
181.05965	0.4
183.11679	1.0
185.13216	1.2
187.05391	2.6
187.11230	1.1
189.12712	0.8
191.14333	1.3
197.13327	0.5
199.05408	0.6
199.14732	0.4
201.12733	1.4
202.07333	0.5
203.14362	0.4
204.10159	1.0
205.06511	0.4
205.19569	0.4
207.13879	1.9
211.14763	0.4
213.16418	0.5
215.04826	2.1
215.14247	0.6
215.17911	0.9
216.03342	0.5
217.09785	0.6
219.13829	1.6
224.12152	0.4
227.04848	0.8
229.19470	1.3
233.05927	13.8
235.10721	1.1
239.17972	1.3
245.05913	3.7
247.20587	1.1
254.79803	0.4
255.17357	0.6
257.19012	3.8
261.08704	3.9
263.20050	0.5
272.07007	0.6
273.18497	4.4
275.20074	30.7
276.20358	0.5
290.08014	0.9
291.06418	3.0
291.19568	4.1
291.35876	0.4
293.21115	21.1
299.20078	0.8
308.09125	29.1
317.21146	0.4
325.56696	0.4
333.18912	1.1
350.21478	0.8
351.19955	0.9
368.22540	9.2
378.21094	0.7
378.52225	0.4
398.17130	0.9
420.19159	0.5
436.19174	0.4
438.19870	0.5
453.24188	6.0
464.17834	0.9
471.24954	1.2
507.24606	0.5
525.26166	2.5
556.03210	0.4
582.28210	1.2
600.29590	5.9
601.26715	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4308
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	3.2
53.03947	11.1
55.01873	15.4
55.05272	3.0
55.05515	41.0
57.03426	5.8
57.07063	5.9
59.04996	8.1
60.28902	1.9
65.03930	8.1
67.05508	96.4
69.03421	8.6
69.07070	29.6
69.27951	16.2
71.04976	7.6
71.08634	2.3
76.47346	1.8
77.03956	3.5
79.05496	95.4
81.03416	3.7
81.07059	100.0
83.04974	10.3
83.08613	19.0
84.04495	7.9
85.06541	8.7
87.04439	2.7
91.05486	73.8
93.07049	96.3
93.07642	4.9
95.04966	20.0
95.08609	66.0
97.06535	22.9
97.10161	8.1
99.08096	3.6
103.05450	6.5
103.13509	1.8
105.04533	4.6
105.07038	74.4
107.04959	13.2
107.08592	53.7
109.06548	15.2
109.10160	35.6
109.85400	1.9
110.10493	2.6
111.08094	8.2
113.09656	2.1
115.05444	5.5
117.07028	24.8
119.08589	64.5
121.06522	8.8
121.10151	63.0
123.04399	3.0
123.08058	19.8
123.11691	11.3
125.09636	9.7
126.10030	2.4
128.06216	6.0
129.06981	14.5
130.07800	4.6
131.08568	42.7
133.06470	3.6
133.10130	47.0
135.08064	12.6
135.11710	24.4
137.09654	11.0
139.11194	5.1
141.07001	6.9
142.07809	5.2
143.08568	19.1
144.09325	2.9
145.10130	43.5
147.08073	10.3
147.11690	30.8
149.09621	19.6
149.13263	8.3
151.07532	9.5
151.11200	4.9
153.07050	2.5
154.05566	2.3
155.08609	10.3
156.09381	5.4
157.10124	22.0
158.85751	2.7
159.08014	9.9
159.11702	24.1
161.09630	7.4
161.13260	14.2
163.11243	11.9
165.07030	2.7
165.09132	15.9
167.08562	5.6
167.10672	30.3
169.10120	16.2
170.10912	3.7
171.11693	20.2
173.09625	6.2
173.11908	2.7
173.13248	12.7
175.11192	4.8
175.14816	6.7
177.12698	4.2
179.08563	3.7
181.10091	11.1
181.12227	5.3
182.10884	4.2
183.11761	12.0
185.09651	4.5
185.13254	12.9
187.11153	6.1
187.14815	7.0
189.11166	2.7
189.12718	6.1
191.14290	3.7
193.10228	5.0
194.10899	3.1
195.11684	8.3
195.13835	2.2
196.12537	4.1
197.13290	12.1
199.11249	3.4
199.14870	6.3
201.12801	3.0
201.16356	4.1
203.14313	6.3
205.10136	3.0
206.10689	2.4
207.11827	4.6
207.13741	3.0
209.13235	7.2
211.11346	2.2
211.14784	7.0
213.12845	3.3
213.16406	6.3
215.14290	4.4
215.17975	8.2
217.15952	2.6
219.11864	3.1
219.13937	2.2
221.13213	6.0
221.15309	30.2
222.15849	3.2
223.14832	6.4
225.12881	2.2
225.16461	4.1
227.12679	3.4
227.17950	3.4
229.19577	2.7
231.14020	2.5
231.17534	4.7
233.13367	3.0
233.15358	14.5
233.19008	4.7
235.14828	4.5
237.16347	3.1
239.17909	2.5
245.13113	3.6
247.14815	3.1
247.17102	4.3
247.20438	2.6
257.19028	7.5
260.15955	2.2
263.14297	2.4
273.18515	4.0
275.17358	2.9
275.20117	41.3
293.21115	6.3
299.20178	5.6
307.22711	25.5
311.20337	2.7
349.23895	14.0
372.72916	2.3
391.26221	4.4
392.08948	2.5
505.36526	2.2
507.34183	2.0
581.41888	33.2
599.42120	70.7
600.41321	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4306
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	2.8
53.03941	9.1
55.01876	16.6
55.05513	24.7
57.03444	15.6
57.07072	4.9
59.05005	4.1
65.03938	4.9
67.05505	65.2
69.03427	4.1
69.07069	21.0
71.04982	4.7
77.10252	2.0
79.05492	61.1
81.03426	5.8
81.07058	65.1
83.04976	5.5
83.08617	14.0
85.06560	4.9
91.04909	2.9
91.05485	60.0
93.07047	73.7
95.01311	2.6
95.04967	10.1
95.08611	48.2
97.06531	25.7
97.10159	4.3
99.08096	2.6
105.04557	2.0
105.07032	56.6
107.04975	11.7
107.08602	29.1
109.06532	5.0
109.10168	15.2
111.08086	4.9
117.07011	18.6
119.08587	41.6
121.06478	4.6
121.10150	29.2
123.08076	6.2
123.11733	5.7
129.06999	5.9
131.08569	28.0
133.10135	33.9
135.08072	6.2
135.11678	17.3
137.09628	4.5
141.07066	2.3
142.07799	4.3
143.08595	6.7
145.10107	16.5
147.08076	2.3
147.11697	13.8
149.09622	8.0
149.13274	4.1
151.07503	2.7
151.11140	3.2
155.08533	2.6
157.10138	10.7
159.11665	15.8
161.13260	7.7
163.11191	3.4
165.09103	7.6
169.10138	4.7
171.11716	4.4
173.13286	6.7
175.11107	2.1
175.14832	2.0
177.12686	3.2
179.14319	7.1
181.10202	2.9
181.12202	2.6
183.11716	4.0
185.13190	5.1
187.11267	2.8
195.11786	3.7
197.13252	6.0
201.16443	3.9
203.14299	4.0
215.17960	6.0
219.17444	72.6
221.15405	13.1
233.19087	3.1
247.17055	2.1
251.20148	2.4
257.19025	5.5
275.20114	54.5
291.19528	4.3
307.22690	100.0
349.23712	15.5
393.04187	2.3
507.34750	5.5
564.94824	2.3
581.42053	48.9
599.41376	16.0
599.49927	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	599.4306
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	3.7
53.03932	11.2
55.01867	23.7
55.05516	38.7
57.03428	12.7
57.07059	5.6
59.04983	6.2
65.03940	7.3
67.05507	92.3
68.32055	2.5
69.03413	8.0
69.07076	40.0
71.04971	4.1
77.03934	4.1
79.05497	88.5
80.54070	2.9
81.03391	5.0
81.06593	4.4
81.07061	85.3
83.04981	13.6
83.08620	20.5
91.05479	68.4
93.07051	100.0
95.04958	11.9
95.08612	59.6
97.06533	32.0
97.10160	12.0
99.08083	4.8
104.48410	2.7
105.04519	4.6
105.07033	71.6
107.04967	16.0
107.08604	63.1
109.06509	8.2
109.10158	34.6
110.66545	2.7
111.08048	8.1
115.05431	6.7
116.38270	2.6
117.07003	32.5
119.08591	54.4
120.13251	3.1
121.06480	6.1
121.10150	46.3
123.08067	9.2
123.11745	12.6
125.05999	2.9
125.09635	10.3
128.06210	3.1
129.07005	20.0
130.07779	3.8
131.08583	45.8
133.06512	4.2
133.10133	48.7
135.08038	9.7
135.11700	23.4
137.09633	6.5
141.07002	7.1
142.07771	5.1
143.08565	32.1
144.09361	4.4
145.10120	44.3
147.08031	8.8
147.11707	23.3
149.09642	33.0
149.13258	9.3
151.07545	5.6
151.11206	3.5
155.08510	10.1
156.09372	4.4
157.10124	28.3
159.08041	5.4
159.11717	33.0
161.09593	6.5
161.13240	14.4
163.11208	15.5
165.09106	9.4
165.12737	3.1
167.08611	3.8
167.10710	4.7
168.29785	2.9
169.10123	12.3
171.10367	4.7
171.11661	21.9
173.13263	18.6
175.11191	4.4
175.14772	7.0
177.12730	4.6
179.08659	2.9
180.09235	2.8
181.10170	6.1
182.10948	4.5
183.11688	9.4
185.13266	14.2
187.11183	7.2
187.14882	6.9
189.11131	6.7
189.12685	4.1
189.16409	4.2
191.14343	3.4
195.11644	7.3
197.13246	9.3
199.14883	6.4
201.16368	7.2
203.14330	5.3
207.11714	4.0
207.13797	4.1
209.13220	6.6
211.14836	11.1
213.16374	6.6
215.17940	9.7
221.13533	3.8
221.15404	23.0
223.14891	6.0
225.16391	3.6
227.12756	11.1
227.17999	3.9
231.17599	5.2
233.13271	4.0
233.15369	7.0
233.18896	5.7
236.14964	3.6
239.18037	6.5
241.19527	4.2
247.16917	7.1
247.20683	3.6
257.19064	8.2
262.17371	3.1
275.20096	60.9
287.19952	5.2
289.21585	3.8
293.21237	7.5
307.22708	50.9
337.25269	3.1
339.26700	5.1
349.23773	22.4
469.33484	4.1
472.41238	2.6
487.34103	9.2
489.37369	5.9
507.34735	3.4
525.39697	4.0
563.39795	4.8
581.42023	65.4
599.42914	78.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.0
55.01845	1.1
55.05502	3.8
57.03407	0.8
57.07080	5.9
59.05001	4.3
60.29449	0.5
65.03929	1.2
67.05502	9.7
69.03432	7.6
69.07074	3.8
71.49313	0.8
77.03918	0.8
79.05087	0.7
79.05494	10.0
81.03384	1.3
81.07053	14.6
81.13301	0.5
82.59148	0.6
83.04992	3.5
83.08604	1.8
85.06546	3.6
87.04442	1.0
89.06031	0.6
91.05482	16.7
92.06242	0.7
93.07047	19.2
95.04982	7.5
95.08613	14.4
97.06545	3.3
103.05457	1.4
105.07032	24.5
107.04962	1.5
107.07899	0.8
107.08594	14.7
109.06515	5.7
109.10149	5.3
111.08051	1.7
115.05405	1.2
116.06249	0.7
117.07011	6.2
117.09071	0.6
119.04910	0.9
119.08585	28.0
121.06525	5.0
121.09349	1.0
121.10148	16.6
123.07216	0.9
123.08069	11.9
123.11675	2.1
125.06016	3.0
128.06212	3.5
129.07013	5.8
130.07747	2.4
131.08574	10.2
133.06435	1.7
133.10127	13.7
135.08055	10.6
135.11658	4.5
137.05937	0.8
137.09615	11.3
139.07521	1.4
141.06984	2.9
142.07797	5.0
143.08560	12.9
144.09314	2.4
144.55473	0.6
145.06488	0.8
145.10124	17.0
147.08052	22.0
147.11665	4.4
148.08820	1.1
149.09666	4.8
149.13274	0.9
151.06441	1.0
151.07542	11.4
151.11168	1.0
153.07002	1.2
154.07768	1.1
155.08548	7.1
156.09349	4.8
157.06448	0.8
157.10129	17.7
158.10902	0.9
159.08067	3.7
159.11690	10.6
160.12379	0.6
161.09628	5.2
161.13261	5.3
162.10431	0.7
163.03873	2.2
163.11182	7.6
164.96173	0.7
165.09117	50.8
166.07739	0.8
167.08540	2.5
167.10660	4.4
168.09340	1.7
169.10118	8.2
170.10907	3.4
171.11708	9.7
173.09575	4.4
173.13304	4.2
174.10339	0.8
175.11195	3.3
175.14798	1.9
177.09027	1.6
177.12706	1.0
178.07693	0.8
179.08571	2.0
180.09322	1.5
181.10159	4.8
181.12227	7.0
182.10928	2.3
183.08107	0.7
183.11702	12.4
184.12480	0.8
185.09695	1.6
185.13263	6.6
187.11168	2.1
187.14810	2.3
189.12732	4.2
191.10678	3.1
191.14273	1.4
192.11424	1.0
193.10107	2.8
193.12184	1.2
194.10892	1.7
195.11670	5.2
195.13593	1.4
196.12466	2.8
197.09572	0.9
197.13232	5.1
199.11157	2.0
199.14825	2.0
201.12686	1.5
201.16399	0.8
203.14311	17.8
207.11678	3.4
207.13795	6.3
209.09637	1.3
209.13326	5.7
209.15237	1.2
210.14047	0.8
211.11180	2.2
211.14798	5.1
213.09372	0.7
213.12712	2.7
213.16327	1.2
215.14351	1.7
218.10976	0.8
219.11755	1.3
221.15366	100.0
223.11285	1.2
223.14845	2.3
225.12767	1.8
225.16362	1.8
227.14316	1.4
227.17979	0.8
229.12317	1.1
229.15919	2.0
231.13802	1.4
233.13234	1.7
233.15375	4.9
234.14017	0.8
235.14778	2.1
235.16924	1.4
237.16553	1.1
239.14322	1.1
239.18036	1.2
243.13774	0.7
247.14612	1.7
247.16951	15.4
249.12657	0.8
249.16382	1.3
251.14304	1.3
253.15785	0.7
255.13660	0.7
261.16364	0.9
263.17947	1.2
265.15775	0.8
268.00058	0.7
269.18896	1.4
277.19504	0.8
281.18982	1.7
285.18723	1.3
286.19241	1.4
287.20074	7.2
289.19543	1.0
291.17551	1.0
293.19666	0.8
299.20178	4.7
301.21582	2.0
309.18658	0.9
311.20139	1.5
313.21588	1.8
325.21555	2.6
327.23203	1.7
365.24808	3.6
373.25223	1.0
391.26276	7.9
413.27170	0.8
419.29428	3.1
427.28452	5.5
441.30127	0.8
497.78516	0.8
507.34668	6.5
519.34851	2.7
543.34607	0.8
563.39478	0.9
581.40076	3.9
599.40948	51.9
600.41364	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.4
55.01859	3.2
55.05515	14.4
56.06905	2.0
57.07073	6.5
57.67728	1.7
59.04999	5.1
60.84914	1.8
65.03945	2.1
67.05509	24.9
69.03439	9.4
69.07069	19.7
69.41193	11.9
71.05006	2.1
71.08614	2.3
74.93584	1.7
79.05501	24.3
81.07063	31.6
83.04984	9.0
83.08643	10.8
85.06551	5.0
91.05489	32.3
93.07055	55.8
95.04992	14.2
95.08616	30.4
95.74998	1.7
97.06535	8.1
97.10136	2.1
103.05492	3.7
105.07044	52.2
107.05033	2.2
107.08609	34.9
109.05906	1.9
109.06525	10.3
109.10180	17.0
111.04463	2.3
111.08104	4.3
113.09661	2.8
115.05453	4.3
117.07011	10.9
119.08595	52.3
121.06553	9.1
121.10159	63.3
122.88712	1.7
123.08105	17.8
123.11716	10.1
125.09660	5.7
128.06252	7.8
129.07005	9.1
130.07843	5.4
131.08580	26.3
133.06596	4.1
133.07561	2.1
133.10146	31.5
135.08076	14.3
135.11708	12.6
137.09642	6.2
139.07533	2.6
139.11197	5.7
141.06995	4.6
142.07823	9.2
143.08583	22.5
144.09375	5.0
145.10139	34.2
147.08049	14.6
147.11742	13.2
149.09637	18.6
151.07556	16.9
151.11276	3.1
153.07005	1.9
153.09097	2.3
154.07758	2.5
155.08586	9.1
155.10637	2.6
156.09372	8.3
157.10146	30.4
158.10954	4.7
159.08064	10.6
159.11703	20.7
161.09666	7.8
161.13286	8.3
163.11243	5.8
163.14850	2.2
165.07028	5.7
165.09145	15.2
165.47913	1.9
166.07852	2.4
167.08508	6.6
167.10696	89.3
168.09383	2.8
169.10136	18.4
170.10939	4.6
171.11711	16.0
173.09682	5.7
173.13307	13.8
175.09784	1.9
175.11224	4.2
175.14844	6.7
177.12662	2.6
179.08583	6.7
180.09337	5.1
181.10179	7.4
181.12267	5.8
182.10957	3.9
183.11757	11.4
185.09726	2.8
185.13295	9.7
187.11194	4.3
187.14818	10.5
189.12805	8.4
191.14337	6.3
192.09276	2.2
193.10152	9.0
194.10921	3.6
195.11720	10.8
196.12462	4.3
197.11728	2.1
197.13246	11.2
199.11165	4.0
199.14940	5.9
201.12827	4.2
201.16364	2.3
203.14348	7.0
205.10310	1.9
205.15906	3.9
206.10954	4.1
207.11763	8.9
207.13860	9.2
208.12428	2.8
209.13309	13.4
209.15254	4.1
211.11270	2.5
211.14803	8.9
213.12759	3.3
215.14391	5.7
217.15758	3.2
218.10931	2.9
219.11671	3.6
220.12540	4.8
221.11464	1.9
221.13310	10.4
221.15439	35.4
223.11264	3.9
223.14905	7.4
225.12811	3.9
225.16556	3.1
227.14386	2.7
229.15916	2.2
231.11714	4.3
233.13280	6.1
233.15363	39.0
233.17548	3.3
234.13895	2.4
235.14917	7.0
237.16544	3.0
239.14418	2.6
239.18036	5.3
241.16101	2.0
241.19670	3.0
243.11754	2.5
245.13213	3.0
246.14125	2.5
247.14842	3.3
247.17062	3.0
249.16431	4.6
251.14139	2.2
251.18042	3.4
253.15880	2.2
257.13382	2.4
259.14828	3.1
259.17279	2.7
261.16290	2.3
263.18063	4.1
273.18726	4.0
275.17902	3.2
283.14673	2.6
285.18738	2.9
286.19220	2.5
287.20285	4.2
289.19022	2.2
299.20233	7.2
311.20135	2.7
325.21826	2.0
349.25256	2.5
353.25027	2.4
365.24872	3.7
375.23123	2.2
377.24857	4.9
391.26773	2.9
393.24869	2.7
563.39020	2.7
581.40210	19.3
599.41064	100.0
600.41351	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.2
60.78440	0.5
65.03945	0.5
67.05515	1.1
69.07069	18.4
69.34644	0.4
69.34972	4.4
79.05489	4.5
81.07059	0.7
85.02879	0.5
91.05487	16.3
97.06534	21.2
97.07165	1.1
109.06577	0.7
119.04937	11.1
133.94742	0.6
135.04396	0.8
136.05229	1.8
137.05981	100.0
138.06383	0.7
140.78297	0.6
147.04402	0.6
149.05952	1.2
163.03876	2.6
164.07083	0.6
215.10645	1.5
233.11726	90.8
234.11977	0.7
239.66739	0.6
250.14392	45.9
251.14420	0.9
269.15359	1.1
297.14954	1.2
420.93829	0.5
472.58990	0.6
542.76154	0.7
558.07745	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2502
Annotation	Mg-Protoporphyrin IX 13-monomethyl ester
Peak:m/z	Relative Intensity
53.03938	1.6
55.01866	1.7
55.05514	5.0
57.03430	1.7
57.07079	5.6
58.06605	0.8
59.05001	2.3
65.03949	1.0
67.05508	11.3
69.03421	2.7
69.07088	4.8
69.54333	2.0
69.54758	2.8
71.08636	2.7
77.03930	0.8
78.88104	0.7
79.05077	1.0
79.05502	13.4
81.07059	12.9
83.04969	1.8
83.08193	0.8
83.08627	3.1
85.06557	1.5
85.10183	1.9
89.06030	7.3
90.06334	0.7
91.05484	14.0
93.07044	14.3
95.04986	3.4
95.08616	10.9
97.06538	2.2
97.10146	1.1
98.20773	1.6
101.06039	0.7
105.07034	12.0
107.04951	1.6
107.08598	6.9
107.85470	0.8
109.06544	1.7
109.10161	4.4
111.08139	0.6
113.09615	1.0
116.63304	0.8
117.07014	4.1
119.08578	11.6
121.06488	2.0
121.10149	7.9
123.04415	0.8
123.08080	2.8
125.05988	1.2
125.09655	0.7
129.06952	3.4
131.08574	8.4
131.21265	0.7
133.06500	1.2
133.08638	4.6
133.10132	6.4
134.06172	0.7
134.10526	0.7
135.08057	3.4
135.11748	3.7
135.35915	0.7
135.68295	0.7
137.01057	0.7
137.09631	3.1
141.07008	0.8
142.07814	2.0
143.08545	3.6
145.10129	7.5
147.08078	5.7
147.11723	2.5
149.09622	5.4
151.07520	2.1
152.45970	0.7
155.08585	2.1
156.09364	1.5
157.10159	4.2
159.11703	5.8
161.09618	2.3
161.13251	2.7
163.11211	2.1
165.09125	7.5
167.08609	1.2
168.09338	0.8
169.10164	3.1
170.10558	0.7
171.11694	2.4
173.09651	1.2
173.13298	2.5
175.11174	0.9
175.14888	1.1
177.09085	0.9
177.11288	1.4
177.12752	0.9
179.08516	0.8
181.10097	0.9
181.12282	1.7
182.10834	1.0
183.11688	2.8
185.13303	1.5
187.11229	0.8
189.12738	0.8
191.10666	1.7
193.10101	1.1
195.11775	1.9
197.13338	2.5
199.11267	1.0
199.14853	1.5
201.16429	3.6
202.79208	0.7
203.14392	2.6
203.17940	1.4
207.11763	1.0
207.13707	1.0
209.10941	0.9
209.13301	1.1
211.14867	2.0
221.10886	0.7
221.13292	1.8
221.15341	15.4
221.17374	1.2
222.11591	1.0
223.12459	1.5
223.14851	1.0
229.15956	0.8
233.13321	1.0
235.12408	1.9
236.13141	0.7
237.13905	2.7
238.14738	0.9
246.11597	1.0
247.12344	1.0
247.16992	2.8
249.13959	1.7
251.11868	1.6
251.15375	1.3
261.13794	2.1
264.12527	1.2
265.13449	1.0
275.20166	1.2
276.14954	1.0
277.13412	1.0
277.16196	0.7
279.15045	2.5
287.20154	1.7
299.20233	1.0
300.14825	0.8
307.22995	0.7
313.27530	3.0
314.16571	2.3
315.17322	1.1
321.20798	0.9
324.15042	1.9
325.14835	2.3
328.18063	1.7
329.19305	0.9
330.19687	1.4
335.25912	3.3
337.15219	1.3
338.16245	1.2
339.16116	4.4
340.17358	3.1
341.18231	1.3
342.15979	2.1
342.19788	1.2
343.16983	0.8
350.16165	1.2
351.16592	2.2
352.17953	2.6
353.17633	6.3
354.18484	10.0
358.19077	1.8
361.14807	0.8
363.16263	2.8
364.17294	2.7
365.17819	3.0
365.25012	0.8
366.14484	1.0
366.18802	2.3
367.15347	1.3
367.19373	2.6
368.19958	2.5
369.20786	21.1
371.22919	0.9
372.17105	0.8
375.16220	1.0
377.17731	3.2
379.19266	10.7
380.20380	2.0
381.17078	2.4
381.20898	2.3
382.18066	2.4
386.18524	1.2
389.17941	1.3
391.19547	2.4
391.26462	2.4
393.21100	1.4
394.18225	1.2
395.18591	2.1
395.22766	1.6
396.19513	1.4
397.20346	8.1
405.20865	2.0
407.18829	2.1
409.20752	3.5
410.18436	1.6
411.18283	1.2
412.19513	1.0
416.23618	0.9
417.17032	1.2
419.18616	0.8
419.29315	1.3
421.20728	1.3
422.17935	0.8
423.21927	2.9
425.19748	26.1
426.20908	2.1
427.21945	0.8
427.28525	0.8
428.19772	0.8
433.20416	1.7
437.19788	2.8
438.21115	1.0
439.21362	2.7
440.23196	0.9
441.22885	2.6
444.22705	1.4
447.18369	1.4
448.19370	1.0
451.21402	15.2
452.22281	3.9
453.18646	4.3
455.24771	5.1
456.25494	6.6
461.20081	1.4
462.20438	4.2
463.21347	1.0
465.23618	1.7
466.21625	1.3
467.25040	3.8
468.21591	1.9
469.22543	3.0
479.21130	1.6
480.21930	1.3
483.24042	4.0
484.24792	9.5
489.19446	1.0
493.22388	2.2
495.23514	1.6
496.21317	0.8
497.21747	3.3
507.34540	1.5
511.23694	6.4
512.24225	56.2
513.24646	1.4
519.34418	1.7
521.21863	5.3
539.22900	55.2
540.23767	1.4
555.25500	1.8
567.22247	1.3
571.25934	1.3
581.24078	1.9
581.41498	3.3
582.22443	4.8
598.62378	0.9
599.25043	100.0
599.41272	10.5
600.25305	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.1
55.01872	6.2
55.05512	20.7
57.03425	4.6
57.07084	5.3
57.83227	1.1
59.23859	1.0
65.03947	5.1
67.05505	71.3
69.03432	6.7
69.07069	58.2
70.73972	2.5
71.05001	5.1
71.08620	2.0
77.03919	1.7
79.05494	88.1
79.09711	1.1
81.03432	5.6
81.07057	67.7
83.04967	7.0
83.08614	8.8
85.06546	2.1
91.05484	66.5
93.07045	65.8
95.04971	13.4
95.08608	51.0
97.02892	8.3
97.06535	10.6
97.10152	1.5
99.08086	1.8
103.05470	2.2
105.04511	3.2
105.07034	40.8
107.04293	1.9
107.04955	13.9
107.08598	35.8
109.06515	6.3
109.10160	16.9
111.04462	2.0
111.08065	3.9
115.05488	2.7
116.06221	1.3
117.07021	15.7
119.08581	42.7
121.06515	4.3
121.10146	46.6
123.04441	1.4
123.08074	4.4
123.11700	5.9
125.05990	3.8
125.09649	2.5
128.06242	4.0
129.06998	15.4
130.07756	2.5
131.08574	35.1
133.06500	3.5
133.08554	1.4
133.10130	28.0
135.08051	4.1
135.11702	11.4
137.08664	1.1
137.09618	5.9
137.13246	1.9
141.06972	3.6
142.07750	2.4
143.07043	5.6
143.08557	15.1
144.09282	1.5
145.10130	18.1
147.08046	10.6
147.11687	9.2
149.09616	20.3
149.13286	6.5
151.07541	3.6
151.11180	3.4
153.07036	1.3
155.08568	5.4
156.09395	1.7
157.10118	11.6
159.08087	2.3
159.11702	12.4
161.08362	1.4
161.09657	5.8
161.13266	7.4
163.11214	2.6
165.09106	3.1
169.10124	7.0
170.10938	2.1
171.11694	7.7
173.13251	7.6
175.11314	1.6
175.14815	4.1
177.09157	4.2
181.10143	3.2
183.11716	6.0
185.09550	1.9
185.13260	3.2
187.11171	1.3
187.14867	4.4
189.09088	1.3
189.16365	5.6
195.10068	1.2
195.11734	2.4
197.13329	3.9
199.09660	3.6
199.11292	1.5
199.14824	12.5
201.12849	1.6
201.16435	7.0
203.14354	2.1
209.13322	3.0
211.14787	3.9
213.16409	1.6
215.14326	1.2
217.15863	10.9
219.17450	1.6
221.13297	2.1
221.15269	1.3
225.16380	2.7
227.14346	5.9
227.17897	1.3
239.18018	1.7
241.19511	1.8
243.21167	1.7
245.15399	17.5
261.22122	6.0
263.16418	7.7
286.31073	1.2
289.18335	1.1
299.23703	1.4
313.27460	3.8
317.24750	3.5
319.19229	3.2
335.25827	26.5
337.20132	2.3
365.28528	1.8
379.24942	1.5
381.31696	3.1
431.94318	1.3
439.32297	1.2
487.35675	1.5
499.34482	2.9
505.36765	2.4
528.34381	1.4
579.40503	10.3
597.41455	100.0
598.42206	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	14.3
57.79215	4.8
61.19484	5.4
67.05510	8.1
69.03413	6.7
69.07072	30.8
69.68292	26.0
81.03386	7.9
81.07055	21.4
85.02907	17.9
87.00835	6.4
93.07060	11.3
95.08604	20.5
97.02851	6.6
97.10154	37.4
98.21500	11.5
100.35046	6.1
103.98078	6.3
105.07046	9.6
109.02889	8.6
109.10144	19.7
111.11713	10.2
113.09654	8.3
119.08620	6.2
121.10134	8.5
124.29110	5.9
125.09682	7.5
127.03952	8.6
133.10135	7.6
137.09724	7.1
139.11206	36.0
147.11716	8.7
161.13290	7.4
201.10764	6.0
230.72787	6.4
277.21646	25.3
295.22702	100.0
313.23737	13.8
388.31705	6.1
426.06461	6.3
595.32440	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	597.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72540	0.5
55.05513	2.2
60.08164	3.7
61.04042	0.7
66.97679	0.5
68.99799	0.6
69.03436	1.1
70.06599	0.7
71.05005	0.7
71.48683	0.9
72.08159	1.1
73.06567	6.0
74.81089	0.5
80.05055	0.7
80.25502	0.5
81.03429	0.9
83.04979	1.1
85.02906	1.4
87.00819	0.7
89.00144	0.5
89.36810	0.4
90.09203	100.0
97.02909	2.7
98.16673	0.4
103.08721	4.1
108.04532	0.5
109.02898	1.5
111.04456	1.2
115.03930	0.7
119.04946	0.6
123.04459	0.6
126.05524	0.8
127.03938	2.0
137.06006	1.0
139.03937	1.8
145.04938	0.7
147.04430	0.6
157.04993	0.8
157.13402	0.7
175.14438	70.3
205.06476	0.5
238.08354	0.6
272.09390	0.6
303.04929	0.6
338.14456	2.5
381.82574	0.5
421.05508	0.7
446.12100	1.0
453.03058	0.5
463.14807	0.7
512.19720	5.5
579.22772	2.5
597.15448	0.7
597.24274	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	595.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.5
57.03434	2.8
65.03943	3.3
68.99797	2.8
69.03438	4.2
70.06580	7.0
71.48879	4.4
81.03407	5.7
85.02901	9.9
85.71091	2.5
87.22350	2.4
96.96909	2.9
97.02869	3.9
103.03940	3.6
107.04960	3.2
109.02846	4.2
119.04939	7.4
120.08122	2.6
121.02876	57.7
123.04438	4.3
127.03926	3.4
131.04895	4.0
135.04440	4.6
137.06038	3.3
139.03987	4.0
145.02838	6.0
147.04373	4.3
149.04828	3.3
149.05994	2.9
163.03909	15.4
165.70540	2.9
173.02423	2.9
175.03909	3.1
177.01834	4.5
177.05383	3.6
179.03419	3.7
187.03941	4.0
189.01891	10.3
191.03448	7.6
195.02873	6.4
203.03464	13.7
205.04979	4.9
207.02905	12.3
215.03380	4.6
217.04950	7.2
219.02855	10.3
229.05026	7.2
231.02940	6.3
233.04480	2.9
243.02794	4.5
268.07376	6.8
271.06000	3.2
273.03873	4.1
279.06668	6.2
281.04807	3.0
281.08066	5.1
283.05972	8.5
285.04062	3.7
287.05560	6.6
293.08017	4.2
294.05237	19.9
295.06024	89.5
295.09406	5.4
296.06738	7.3
297.07669	11.5
307.06064	51.4
308.06894	17.7
309.07562	14.4
313.06760	6.5
317.08005	3.7
319.06003	9.1
320.06808	5.6
321.07645	21.3
322.08298	9.3
323.09036	4.6
325.07077	100.0
329.08139	4.0
333.07565	8.2
335.05652	4.6
335.09167	21.1
337.07056	63.9
345.07150	4.6
347.09253	9.7
349.07114	33.9
351.08722	24.4
355.08072	17.9
361.07056	17.4
363.08575	8.0
365.10263	13.2
367.07770	5.7
369.15182	4.2
373.06998	6.5
375.08600	12.3
379.08139	55.1
385.06924	5.1
387.08649	3.4
389.10315	4.5
391.08096	34.3
393.09244	3.6
401.10056	3.6
403.08124	25.2
409.09186	44.3
410.16104	3.0
421.09122	26.0
427.10291	42.4
433.09106	5.2
439.10287	28.1
441.10104	3.4
445.10196	6.6
457.11404	88.0
461.13449	3.7
461.20178	3.6
463.10117	4.8
475.12497	17.3
481.11386	27.5
493.11368	3.7
499.12326	15.7
505.11377	10.6
511.12482	26.0
523.12146	25.3
529.13281	9.4
541.13116	24.0
559.14069	18.4
577.21912	23.1
595.22729	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	595.166
Annotation	Datiscin
Peak:m/z	Relative Intensity
53.03939	0.2
55.05512	0.2
57.03436	1.9
61.02930	0.7
62.70200	0.1
68.99796	0.4
69.03433	0.9
69.42908	0.5
69.43333	0.6
71.01292	0.1
71.04994	11.4
73.02906	0.5
75.04472	0.3
79.05504	0.2
81.03421	0.5
81.09288	0.1
83.04967	0.7
85.02908	13.5
87.04459	0.3
97.02895	1.6
99.04426	0.3
104.49770	0.1
105.03393	0.3
105.07026	0.1
107.04955	0.3
109.02890	0.5
111.00791	0.7
111.04449	0.3
112.05087	0.8
119.47066	0.1
121.02878	1.9
122.06040	0.1
127.03951	0.7
129.05484	3.5
133.02867	0.4
135.04408	0.2
137.02307	0.6
145.04970	0.7
145.06476	0.2
147.04388	0.4
147.06552	0.8
153.01845	2.6
157.06499	0.2
165.01804	1.4
183.02882	0.4
185.05939	0.4
213.05415	1.1
219.94069	0.1
221.30907	0.2
222.27979	0.1
231.06554	0.6
241.04939	0.7
258.05255	0.8
259.05948	0.3
287.05499	100.0
288.05728	1.0
299.05591	0.4
329.06537	0.6
353.06653	0.2
431.09616	0.2
449.10782	0.7
577.21155	0.6
578.16730	0.2
595.21887	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.166
Annotation	Datiscin
Peak:m/z	Relative Intensity
55.01878	0.4
57.03435	2.0
61.02921	0.7
68.99783	0.4
69.03416	0.9
70.04162	1.3
70.04450	0.3
71.04606	0.6
71.04996	10.9
73.02911	0.6
75.04493	0.4
81.03416	0.5
83.04998	0.5
85.02911	15.7
86.58363	0.3
87.04469	0.3
95.29987	0.3
97.02880	1.3
107.05003	0.3
109.02843	0.6
111.00803	0.6
111.04452	0.5
116.79877	0.3
121.02856	2.2
127.03897	0.8
129.05487	3.2
133.02800	0.4
137.02324	0.4
145.04964	0.6
147.04417	0.6
147.06535	0.8
153.01825	2.8
157.06548	0.4
165.01851	1.2
183.02943	0.7
213.05470	1.1
218.13400	0.3
231.06482	0.7
241.04956	0.6
258.05270	0.6
287.05515	100.0
288.05829	1.1
449.10828	0.4
455.39618	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	595.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	2.6
57.03424	4.1
61.02923	2.7
69.03435	2.0
69.55984	7.8
69.56384	3.4
85.02894	10.3
91.05491	2.0
91.20949	1.9
95.04992	2.0
107.04960	4.6
109.02908	2.6
119.04914	10.1
121.02023	2.4
121.02871	40.6
121.06425	1.8
130.75183	1.6
131.04825	2.2
135.04396	1.8
145.02838	6.4
147.04350	3.2
150.40625	1.7
159.04375	2.5
163.03899	3.3
173.02478	2.7
177.01825	6.4
179.03427	3.9
189.01877	12.4
191.03418	6.9
195.02858	5.2
201.01802	2.0
201.05460	2.9
203.03374	11.9
205.04950	2.6
207.02881	10.1
213.05415	1.9
215.03426	3.1
217.04939	8.0
219.02895	5.3
219.06555	2.3
221.04335	3.0
227.52466	1.9
229.04970	6.5
231.02824	3.7
233.04341	2.7
241.05017	2.7
243.02968	2.6
255.02818	4.0
257.04358	3.3
261.04047	1.9
267.06451	2.9
268.07498	4.2
279.06577	3.9
280.07254	3.6
281.08057	6.9
283.05957	11.4
284.06763	2.6
285.03940	2.8
293.08081	4.1
294.05261	21.6
295.06036	88.9
295.09418	4.7
296.06760	10.4
297.07544	13.5
305.08035	4.3
307.02649	3.4
307.06030	55.2
308.06784	19.0
309.04114	2.8
309.07504	17.9
313.07037	4.1
319.05902	4.9
319.09360	2.5
320.06882	5.9
321.07648	32.7
322.08368	13.2
323.05475	4.4
323.09091	5.6
325.07077	100.0
333.07541	9.5
335.09116	15.6
336.06223	3.9
337.07077	67.4
337.10938	2.4
345.07608	3.0
346.08392	3.1
347.09293	14.0
349.07068	34.2
349.10880	1.6
351.04868	3.6
351.08664	29.0
355.08194	23.3
357.07651	3.9
361.06992	19.3
361.10727	3.9
363.08630	10.5
365.06406	1.9
365.10284	11.0
367.08014	6.1
367.18451	2.1
373.07037	7.5
375.08536	9.5
379.08127	60.4
385.06931	4.9
387.08887	2.3
389.10297	2.2
391.08173	33.8
393.09827	2.6
401.10526	3.0
403.08087	25.9
409.03824	2.7
409.09222	48.7
415.08026	4.5
417.09677	3.1
421.09271	25.7
427.10321	48.7
433.09171	3.8
439.10300	32.0
445.10138	8.5
457.11356	97.8
463.10184	6.3
475.12302	19.2
481.11328	32.3
487.10419	3.0
493.10864	3.7
499.12308	15.4
505.11285	8.3
511.12430	24.2
523.12402	26.5
529.13586	9.3
541.13599	25.5
559.14343	21.3
577.15247	8.4
580.39532	1.9
595.21973	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	595.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
69.78088	1.3
69.78497	2.7
96.11390	0.7
96.92828	0.9
101.57877	0.7
132.48477	0.7
161.58441	0.7
185.04176	2.5
201.12410	0.7
203.05295	5.3
250.89574	0.8
252.89313	2.6
252.97197	5.6
253.00868	100.0
312.98010	3.5
313.01740	9.6
324.98068	1.2
325.01788	0.8
331.02884	5.8
343.02768	0.9
365.10550	22.1
365.14871	1.5
373.03979	1.4
381.07935	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	594.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74521	0.3
53.03933	0.5
54.97181	0.3
55.01866	0.3
55.05492	0.5
56.56049	0.3
61.02900	0.6
65.03932	0.4
67.05495	0.8
68.99783	0.5
69.03436	14.9
69.07073	0.7
69.43537	1.9
78.03458	3.9
79.05484	0.8
80.05024	2.4
81.07070	1.7
83.04947	0.4
85.02904	0.6
85.89444	0.3
91.03947	0.5
91.05481	1.7
92.04998	1.2
93.07077	2.0
95.04968	0.7
95.08627	1.7
96.04473	0.7
97.02881	0.7
97.06493	0.4
98.06145	0.3
103.05477	0.5
104.05015	2.2
105.07047	2.7
106.02924	18.0
107.04971	0.4
107.08585	2.1
109.06535	0.7
109.10168	0.8
110.06039	0.5
111.08048	0.4
111.19928	0.3
115.05439	0.4
117.07021	0.8
119.04948	0.5
119.06056	0.3
119.08587	3.5
120.04491	1.7
121.02861	0.3
121.06516	1.0
121.10159	0.8
122.06031	6.4
123.04436	1.1
128.89748	0.3
129.07004	0.9
130.02992	0.6
131.08604	1.5
133.06476	0.4
133.10139	2.3
134.06003	0.3
135.08046	0.8
135.11679	1.3
141.06982	0.4
143.08575	1.7
145.06500	0.4
145.10124	2.2
147.01680	0.3
147.04376	0.7
147.08041	1.0
147.11774	0.4
148.03943	48.4
149.06017	0.7
152.06262	0.4
155.08560	1.0
156.09390	0.5
157.06520	0.4
157.10127	1.4
159.08052	0.7
159.11652	0.9
160.03970	3.0
161.09659	2.5
161.13284	0.8
165.06929	0.3
167.08559	0.8
169.06395	0.4
169.10149	1.5
170.10796	0.4
171.08064	1.1
171.11707	1.1
173.05933	0.3
173.09680	0.5
173.13327	0.5
174.05467	0.4
175.06294	0.5
175.14883	0.9
178.04982	1.9
180.09378	0.4
181.10191	0.7
182.10962	0.5
183.08151	0.4
183.11697	0.4
185.09718	0.4
185.13254	2.3
187.07605	0.8
187.11166	2.3
187.14824	0.6
189.05605	0.3
189.09100	0.7
189.12819	0.6
190.04982	2.3
194.10965	0.3
195.08075	0.7
195.11710	0.3
197.06075	0.6
197.09674	0.8
197.13301	1.3
199.07642	0.5
199.11346	0.3
202.05011	20.6
202.13564	1.2
203.14326	2.5
209.09686	0.4
209.13240	0.7
211.14868	1.0
213.05515	0.4
214.05072	0.4
215.07051	1.8
215.14313	0.8
216.06700	0.5
218.04509	1.3
225.09030	0.3
227.14360	0.3
229.15924	0.5
237.12891	0.8
239.14340	2.3
240.06554	1.3
241.12187	0.4
242.08086	1.1
252.10201	0.3
255.13776	0.7
257.15402	0.7
265.12225	3.0
266.08209	0.8
270.07568	0.6
278.08170	0.3
279.49701	0.3
280.09592	0.5
281.15182	0.3
283.13303	2.5
301.14365	0.5
304.04419	0.4
304.44034	0.3
306.11282	0.5
310.10797	0.4
318.11316	1.0
344.12921	0.6
386.17572	1.6
404.18744	1.6
422.19821	0.7
490.22400	0.3
558.25201	0.5
576.26477	0.6
594.27032	100.0
595.27222	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	593.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	12.2
54.10901	1.8
54.99732	1.8
55.01876	10.7
55.05517	17.6
57.03442	19.0
57.07063	3.1
61.02923	6.8
62.59384	1.8
67.05514	25.1
68.99788	6.5
69.03097	3.6
69.03437	56.5
69.07075	26.5
69.15356	2.2
69.97420	6.0
71.01365	1.9
71.04989	8.8
71.08578	2.5
73.02916	11.8
78.53854	1.7
79.05500	17.7
79.40390	2.0
81.03425	52.7
81.07066	32.6
83.01381	1.9
83.08630	16.1
85.02914	100.0
85.06546	3.6
87.00324	2.0
87.00836	39.6
87.04450	2.4
90.18684	1.9
91.05463	12.8
92.07812	1.9
93.07055	13.0
95.04972	3.5
95.08615	35.6
97.02898	29.8
97.06545	4.8
97.10191	12.4
99.04468	18.5
99.08113	3.8
101.02388	3.3
103.03936	4.0
105.01876	18.5
105.07028	9.1
107.07330	7.0
107.08590	10.4
109.02891	53.9
109.10165	18.4
111.08083	3.4
111.11710	5.2
115.53724	2.0
117.01886	5.1
119.08576	8.9
121.10158	15.6
122.09690	63.2
123.10030	18.7
123.11723	6.5
124.10326	4.2
125.09653	2.3
127.03926	82.6
129.01854	7.8
129.05470	4.1
131.08507	2.3
133.10123	8.1
135.11731	12.0
139.11176	4.6
143.03409	3.0
145.04988	22.9
147.02876	6.6
147.11646	5.3
149.13252	3.5
151.11194	2.5
151.14833	2.5
153.12793	3.0
159.02895	17.4
161.13281	6.1
161.61737	2.1
165.12726	2.9
175.14868	3.1
179.14362	2.6
183.06529	8.9
189.03966	3.3
193.12111	2.0
213.03917	6.0
217.19550	15.5
217.71582	2.2
231.04982	13.8
235.20567	20.0
252.24416	2.0
253.21684	16.9
271.22684	3.2
287.07565	2.2
291.23041	6.6
305.08701	3.0
309.24234	10.1
327.25366	50.4
343.22778	2.1
345.26337	11.5
395.24164	3.4
539.28961	2.2
557.29016	2.5
575.30463	3.5
593.31940	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	594.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81903	0.8
53.03942	1.2
54.46860	0.7
55.05501	1.5
56.05035	1.2
59.04997	4.5
67.05501	1.9
68.05016	2.5
69.07070	1.7
69.18028	9.2
70.02943	1.3
70.06586	2.8
71.04988	7.2
72.04522	1.1
72.08167	1.0
79.05479	4.5
80.05023	5.3
80.83722	0.9
81.07050	4.8
82.06584	2.0
83.08618	1.1
84.08169	1.2
85.02892	1.1
86.06073	1.2
91.05446	4.7
92.05006	2.6
93.05750	2.1
93.07040	2.8
94.06563	4.7
95.07382	1.3
96.04469	1.1
96.08119	1.6
100.07626	2.1
103.05424	1.2
103.98302	0.8
104.04990	1.3
105.07069	4.3
106.06573	4.2
107.08611	2.1
108.08097	2.0
110.06036	3.5
113.09628	1.3
115.05414	1.6
117.07013	2.7
118.06522	4.9
119.04975	0.9
119.08567	2.7
120.04464	9.3
120.08121	3.1
121.05241	2.0
121.06577	1.2
122.06014	3.4
122.09671	1.7
123.04381	1.6
124.07536	1.3
124.11214	1.2
128.06255	1.3
129.06987	2.2
130.06557	3.3
131.07323	2.5
131.08569	2.5
131.09483	1.1
132.04482	1.5
132.08099	3.6
133.02859	1.5
133.05270	1.5
133.06506	1.5
133.08850	1.4
133.10107	2.1
134.05983	2.3
134.09648	6.8
135.08078	0.9
136.07616	1.8
136.11209	3.6
137.05972	1.6
138.05519	4.0
143.08586	0.9
144.08112	2.8
145.06451	1.7
145.08911	1.3
145.10181	1.1
146.06026	1.2
146.09651	9.5
147.04433	2.8
147.08006	1.3
147.10501	1.5
147.11699	1.3
148.03967	3.1
148.07608	2.1
148.11174	4.7
149.04715	4.6
149.05836	1.0
150.05505	4.0
150.09125	1.6
150.12820	1.5
156.08005	1.2
158.09714	4.6
159.08032	1.2
160.07571	1.6
160.11205	6.3
161.09660	1.2
162.05536	4.2
162.09143	3.5
162.12807	3.6
163.03891	5.0
163.06235	0.9
164.07063	0.9
164.10744	2.2
166.12254	2.4
171.08192	1.2
172.07596	1.2
173.02472	0.9
174.09190	2.7
175.03905	1.2
176.07108	2.9
176.10663	5.1
176.14415	1.5
177.07808	1.9
178.12294	3.4
180.13863	1.1
184.11281	1.2
186.09116	1.3
186.12805	2.6
187.03983	1.0
187.09851	1.2
188.07095	1.1
188.10715	4.2
189.41193	1.0
190.08595	12.2
190.12289	2.5
191.03340	8.4
192.10251	2.7
192.13882	1.7
194.08151	1.1
194.15341	0.9
196.13307	1.0
198.09146	1.9
200.10677	1.1
202.08646	2.2
202.12289	4.6
203.09390	2.7
204.10266	3.9
204.13901	2.7
206.11812	3.4
208.13396	1.1
209.58461	0.9
212.10764	1.7
213.11607	1.2
214.12181	4.4
216.10287	1.4
217.04903	2.1
220.13385	2.4
224.12837	4.2
230.11745	6.1
232.13362	3.2
234.11290	1.6
234.14970	2.0
235.12056	4.9
235.15875	1.3
236.07056	2.1
246.14926	0.9
248.12813	1.8
250.14531	1.2
262.14514	3.2
263.15240	1.7
264.06570	5.7
264.16006	2.2
266.13947	0.9
276.62784	0.9
282.07605	7.8
283.06070	1.5
297.07608	1.1
302.17584	1.7
303.17929	1.2
307.04733	3.2
310.07132	2.5
310.10403	1.0
322.07266	1.2
328.08276	2.7
336.12320	2.9
338.13773	1.0
346.20169	1.3
347.20395	1.1
349.06790	0.9
350.13773	1.6
362.69354	0.9
364.15555	1.9
368.14963	2.3
374.13974	3.3
392.14938	10.2
398.08780	3.9
406.16693	1.6
410.16135	3.0
424.17508	6.9
426.08142	1.0
428.17194	3.1
442.18808	3.1
444.09146	4.1
446.17776	4.3
457.11737	1.2
460.19574	5.8
462.10367	1.8
478.20602	2.4
484.16144	1.9
500.14661	1.2
508.16196	3.6
518.16693	1.6
526.17047	3.1
530.16748	3.6
540.11426	1.0
540.18634	5.4
544.18378	2.4
548.17615	13.3
558.19623	14.8
562.19409	4.7
576.20740	91.2
577.20758	1.5
594.21832	100.0
595.22217	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	593.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40337	1.1
52.50669	0.9
52.94809	0.9
55.01861	1.5
55.05523	5.6
57.03429	1.6
60.46084	0.9
67.05513	5.9
69.03423	3.0
69.07059	2.3
69.33695	8.2
71.04996	1.1
79.05482	6.2
81.03408	4.3
81.07073	4.9
83.04996	1.6
83.08625	2.7
85.02905	3.7
91.03975	1.0
91.05449	5.7
93.07054	2.1
95.08622	1.7
97.02869	2.5
97.06526	1.4
97.10197	5.1
103.05458	2.9
105.07024	3.4
107.04982	2.4
107.08601	2.4
109.02826	1.3
113.27835	0.9
117.07019	4.8
119.08565	2.4
121.10191	0.9
125.09638	4.0
126.48464	1.0
127.03983	1.9
128.06174	1.1
129.07002	2.0
131.08591	2.4
133.10127	0.9
135.08058	1.1
141.06978	2.3
143.08597	2.4
145.06505	1.5
145.10126	3.0
157.10103	1.2
159.11745	3.6
163.31644	1.1
169.10164	3.7
173.09564	1.3
183.11847	1.4
185.09619	1.7
187.11214	11.1
189.11316	2.2
191.08722	1.1
199.38359	1.0
214.47382	1.1
214.60854	1.0
227.12779	2.1
237.80559	1.0
289.05392	2.9
321.18369	1.2
339.19620	3.4
345.23959	2.8
413.23358	9.2
431.24344	8.3
507.29413	9.1
549.30383	24.9
575.27264	2.4
593.29346	100.0
594.30066	1.6
616.72668	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.294
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64855	0.5
55.05502	1.1
56.69084	0.6
59.62472	0.5
67.05491	1.6
69.03419	0.6
69.96644	0.6
70.21606	1.2
70.21998	1.4
79.05490	1.5
81.03429	1.4
81.07056	1.9
85.02901	0.9
85.06544	1.1
91.05476	1.3
93.07048	1.5
95.08621	1.1
97.06562	1.6
104.37701	0.5
105.07053	1.0
107.08595	1.3
109.10162	1.2
111.08066	0.6
115.03893	0.6
117.06950	0.7
119.06216	0.5
121.10157	0.7
130.42548	0.5
133.10086	0.9
150.13161	0.6
155.08508	0.6
156.09164	0.6
163.03906	1.0
184.07350	0.7
185.04167	0.6
248.45915	0.7
271.85327	0.6
289.05322	0.8
327.22919	2.3
345.24026	3.3
373.23749	1.2
460.95181	0.7
471.27069	0.8
489.28329	7.9
507.29343	10.0
531.29315	12.9
549.30383	17.1
575.28357	20.3
593.29358	100.0
594.29694	3.5
610.74548	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2755
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
52.29517	0.3
62.09781	0.3
71.41012	0.5
109.90113	0.3
119.03519	0.4
154.92171	0.4
165.84007	0.4
187.45250	0.4
197.83836	0.3
207.64278	0.4
229.98480	0.4
262.15244	0.4
288.65231	0.4
388.16913	0.5
389.18039	0.9
390.18521	0.6
402.18567	0.6
403.19104	2.6
404.20148	1.1
405.20959	1.7
415.19562	0.5
416.20520	0.8
417.16382	1.0
417.21622	2.5
418.21631	1.2
419.22403	3.9
430.17911	0.8
431.18298	7.0
431.23541	0.6
432.18686	2.1
433.24222	5.0
434.24417	1.6
444.18942	0.6
445.20010	9.0
446.20676	3.6
447.21725	4.6
459.21503	3.3
460.22583	11.5
461.23276	8.6
463.21533	0.7
473.23975	1.9
474.24155	0.6
476.25812	1.3
477.22638	0.8
487.25101	1.3
489.26724	0.4
491.25076	0.7
492.25137	0.9
505.21960	4.9
519.24139	1.2
533.25494	23.2
534.25989	0.7
561.24945	0.6
564.23566	0.7
565.28009	0.7
593.27588	100.0
594.18817	0.4
594.27509	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.294
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90626	0.4
55.01876	0.8
67.05507	1.1
69.03424	0.4
70.05147	1.8
71.09829	0.4
79.05488	1.2
81.03406	1.1
81.07050	1.5
85.02901	1.2
89.06037	0.6
89.52036	0.4
91.05482	1.3
93.07035	0.6
95.04990	0.8
95.08610	0.9
97.06550	0.7
98.21579	0.4
105.07035	0.9
107.04980	0.4
107.08617	0.6
109.02908	0.5
109.10203	0.5
119.08583	0.6
123.01911	0.4
127.03941	0.5
138.12122	0.4
143.08575	0.5
145.10165	0.4
161.67009	0.4
260.06595	0.4
290.02469	0.4
345.23993	3.4
373.23569	1.1
387.24905	0.8
438.61768	0.4
489.28320	1.4
507.29340	11.9
531.29102	1.9
549.30365	27.6
575.28448	2.7
593.29333	100.0
594.29834	3.5
605.54602	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05407	2.8
53.03941	3.4
55.05514	18.4
57.03432	10.7
57.07079	52.7
59.04999	8.4
63.81361	2.8
65.03950	2.7
67.05188	4.6
67.05510	64.9
69.07065	21.8
71.08636	30.7
71.50007	4.0
79.05495	33.8
81.07063	67.4
83.08625	21.4
85.10182	15.4
89.06023	4.8
91.05479	19.2
93.07038	43.6
95.08608	59.1
97.10159	10.3
105.07035	16.8
107.08609	27.5
109.06500	3.1
109.10162	31.3
111.11723	3.6
117.06985	8.0
117.09091	4.7
119.08598	13.5
121.10165	23.3
123.11685	17.8
131.08601	13.3
133.10107	8.2
135.11702	16.4
137.13261	4.2
143.08519	3.2
145.10107	12.1
147.11687	8.7
147.89442	3.2
149.13235	11.9
159.11674	10.3
161.13263	5.7
163.14815	5.7
173.13196	7.0
187.14815	4.9
239.23672	3.9
243.21030	10.6
260.20728	2.8
261.22165	60.9
279.23175	4.6
293.32159	3.4
309.75742	2.8
313.27390	100.0
317.24744	10.1
335.25830	69.4
573.48785	22.5
586.24713	3.2
591.49567	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	593.276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	0.3
55.88800	0.2
57.07046	0.5
67.05471	0.5
69.07038	0.3
70.74030	0.5
70.74396	0.3
71.08595	0.3
71.10499	0.2
79.05476	0.5
81.07056	0.5
91.05451	0.5
95.08588	0.4
105.07040	0.3
107.08583	0.4
136.90854	0.2
137.87042	0.2
141.74039	0.2
147.80971	0.2
185.29031	0.2
195.09027	0.2
223.12422	0.3
313.27533	0.4
385.06354	0.2
387.16052	0.5
388.16925	0.7
389.17624	1.4
390.18402	0.3
391.19135	0.3
400.17554	0.2
401.17728	0.4
402.18387	1.1
403.19254	3.5
404.19983	1.3
405.20813	2.1
415.14886	0.3
415.19727	0.4
416.20758	1.1
417.16605	1.2
417.21448	3.6
418.21820	2.5
419.22443	4.2
429.16293	0.3
429.21384	0.4
430.17795	1.0
431.18195	9.0
432.18585	2.2
432.24127	0.6
433.24075	8.9
433.29840	0.5
434.24637	1.5
444.19464	0.8
445.19928	10.9
446.20816	4.9
447.21750	4.8
458.21600	0.3
459.21344	3.4
460.22565	12.9
461.23328	12.7
463.21298	0.5
473.23779	2.1
474.24139	0.8
476.26010	1.2
477.22015	0.6
477.27621	0.4
487.25522	1.2
489.26797	0.6
491.25244	1.2
492.25278	0.9
505.21945	4.6
518.22992	0.9
519.24121	0.8
533.25507	43.1
534.25909	1.0
546.89026	0.3
547.27148	0.3
561.25378	0.4
564.23804	0.4
565.27991	0.7
575.26428	0.4
593.27588	100.0
594.27686	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.7
55.05515	15.1
56.66371	1.3
57.03438	10.2
57.06794	2.6
57.07078	44.0
65.03942	2.3
67.05507	51.3
69.07069	14.2
69.90710	2.5
69.91110	6.4
71.04981	1.6
71.08636	27.9
77.03955	1.4
79.05492	26.0
81.07056	54.7
81.07535	3.2
83.08620	12.9
85.06545	1.8
85.10184	12.4
89.06015	1.7
91.05479	13.0
93.07040	32.8
95.04977	2.8
95.08607	51.6
97.10168	7.4
103.07554	1.4
105.07037	14.2
107.08595	20.7
109.09467	2.8
109.10163	27.0
111.08041	1.6
117.07018	4.7
119.08550	10.2
121.10152	17.4
123.11699	9.8
131.08589	10.6
133.10127	10.2
135.11697	16.6
137.13277	4.7
145.10167	7.0
147.11694	7.2
149.13271	10.3
159.11676	9.5
161.13292	3.1
163.14803	7.2
173.13295	8.6
175.14803	1.8
177.16374	2.1
187.14824	2.4
218.44533	1.5
233.22632	1.7
239.23772	5.7
243.21123	11.1
257.24698	2.6
261.22147	49.9
262.22415	1.6
263.94092	1.3
279.23096	2.8
299.23923	1.3
313.27368	100.0
317.24780	14.8
335.25815	59.5
351.24817	1.4
361.31473	1.5
428.89618	1.7
499.45242	2.4
517.45819	1.5
573.48822	18.5
591.49548	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	591.281
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65368	0.1
52.50814	0.1
53.03942	0.1
55.01869	0.2
55.05502	0.1
65.03934	0.2
67.05503	0.4
69.03436	0.1
69.07036	0.1
70.81580	0.1
71.02462	0.1
71.48897	0.1
77.03950	0.1
79.05483	0.7
80.05007	0.5
81.03416	0.1
81.05804	0.4
81.07043	0.4
82.06563	0.1
85.02906	0.1
91.05484	0.3
92.05003	0.1
93.05779	0.1
93.07047	0.3
94.06564	1.4
95.04948	0.1
95.07376	0.1
95.08595	0.2
96.08134	0.2
98.06052	0.1
103.05466	0.1
105.07037	0.9
106.06548	2.8
107.07335	13.9
108.08170	0.5
110.06062	0.1
118.06561	0.1
119.04926	0.2
120.08075	0.2
121.06480	0.1
121.08891	0.1
122.06152	1.0
122.09664	100.0
123.09996	0.7
124.07577	0.1
124.11232	0.8
129.07089	0.1
131.08560	0.1
132.08138	0.1
135.06822	0.1
136.07571	1.5
138.09128	0.2
140.07010	0.3
146.06049	0.1
146.09756	0.1
147.04375	0.2
148.07568	0.1
148.11200	0.7
150.05571	0.1
150.09135	1.7
153.10201	0.1
160.07597	0.2
162.05539	0.1
163.08627	0.1
164.07065	2.9
171.09102	0.1
172.07628	0.1
174.09171	0.2
175.08650	0.1
176.07019	0.1
176.10693	1.5
177.06595	0.6
178.08759	0.1
179.08130	0.1
181.09720	2.2
182.08215	0.1
184.07448	0.1
187.08684	0.1
188.07059	0.5
189.10245	0.1
191.08156	1.4
199.08653	0.1
200.06985	0.1
201.06602	0.1
202.08734	1.0
203.04477	0.1
203.08150	0.6
204.06554	0.2
205.06148	0.1
205.09717	0.2
206.08147	0.2
215.08208	0.1
216.06602	0.1
216.10324	0.1
217.09727	0.5
219.11229	0.2
220.09683	0.2
227.08148	0.1
229.06158	0.1
229.09813	0.1
230.08099	0.8
231.07631	0.2
231.11258	0.1
233.09273	0.2
235.10771	0.4
243.07712	0.1
243.11363	0.1
244.09665	0.2
245.09204	0.5
246.07614	0.1
247.10667	0.1
248.09196	0.6
253.11804	0.1
259.10721	0.3
261.08691	2.3
261.11774	0.1
261.12497	0.1
262.07053	0.2
262.10800	0.1
263.10260	0.5
265.11856	0.2
271.07248	0.1
272.09161	0.5
273.08698	0.1
279.09775	0.1
279.13449	0.1
285.12085	0.1
287.10281	0.7
288.08624	0.1
289.11743	0.2
290.10147	0.2
291.09778	0.2
303.13287	0.1
305.07770	0.1
305.11145	0.5
307.12869	1.2
313.07932	0.1
315.09778	0.2
318.15863	0.1
321.14404	0.1
326.14880	0.1
332.17712	0.1
333.10837	0.4
340.12909	0.2
344.17175	0.1
352.16409	0.1
362.18369	0.1
364.20227	0.1
380.15927	0.2
390.18063	0.1
398.17096	1.1
404.19315	0.1
410.20813	0.6
424.18542	0.3
425.17215	0.1
426.16599	0.1
428.21933	0.9
436.18829	1.0
442.15958	0.3
450.16104	0.1
452.17917	0.3
454.20120	0.6
468.17313	0.1
470.19211	3.3
527.26862	0.3
555.25635	0.1
563.25110	0.1
573.27130	1.2
591.19458	0.1
591.28076	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2779
Annotation	7'-[1-(acetyloxy)ethyl]-7'-deoxo-2'-deoxy-3',4'-dihydroxyverrucarin A
Peak:m/z	Relative Intensity
55.01860	0.3
67.05479	0.5
69.96288	1.5
81.03452	0.4
81.07034	0.5
85.02917	0.7
91.74066	0.4
95.04923	0.4
95.08595	0.6
107.07323	0.8
112.86920	0.5
122.09677	8.5
164.07072	1.2
179.22467	0.3
245.09166	0.4
343.22366	3.6
371.21988	0.7
401.27875	0.4
410.20676	0.4
428.22003	0.5
477.24905	0.4
487.26617	1.4
505.27765	11.7
529.27808	1.1
547.28766	20.8
548.29126	0.9
573.11371	0.4
591.27771	100.0
592.27985	1.6
615.19147	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2602
Annotation	Trigonosin A
Peak:m/z	Relative Intensity
52.01407	0.3
53.94671	0.4
57.03437	0.5
57.07073	1.0
58.42940	0.4
59.04997	0.7
67.05500	0.7
71.08625	0.6
79.05489	0.5
81.07057	0.8
83.08618	0.5
89.06024	0.4
91.05470	0.6
93.07058	0.6
95.08602	1.0
95.84285	0.3
97.31977	0.3
98.20796	0.8
105.07048	0.6
109.10202	0.4
109.22656	0.4
117.07024	0.5
160.41371	0.4
162.31288	0.4
236.24159	0.4
261.22229	0.5
313.27463	0.9
332.94452	0.4
372.64838	0.4
378.74509	0.4
379.36554	0.4
400.16928	0.4
401.17892	1.1
402.18817	0.5
404.21158	0.5
404.79971	0.4
413.18250	0.7
414.18436	1.2
415.19397	4.6
416.19910	2.3
417.21262	0.9
428.20190	1.0
429.20813	7.6
430.21674	4.3
431.22372	2.5
433.23917	1.1
442.21869	0.6
443.22833	2.8
444.23566	6.9
445.24210	5.0
448.26273	0.8
457.19611	0.7
458.25220	1.1
459.21402	2.6
459.25842	2.8
471.22327	0.5
472.22665	3.5
473.23523	5.7
474.24500	2.7
475.25223	0.6
476.22083	0.5
485.23578	1.8
486.24106	0.7
487.24994	19.8
488.25705	1.1
489.23120	2.3
490.23193	1.0
500.21725	0.6
501.22815	0.5
503.25116	2.3
513.23584	0.4
515.24268	1.2
517.22229	0.8
531.24017	14.3
532.24628	4.9
563.26428	0.7
590.43799	0.7
591.26038	100.0
592.26355	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	590.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50248	3.8
53.03946	4.7
55.01856	3.8
55.05500	8.7
57.03428	4.2
58.75566	3.3
59.05006	4.2
67.05522	17.3
69.03445	16.4
69.07059	20.4
69.46559	25.8
70.14233	3.6
71.04995	16.3
73.99038	3.7
79.05486	15.8
81.03416	7.1
81.07064	53.8
83.08614	8.7
85.02907	51.0
87.00826	27.4
91.05486	14.2
93.07046	52.4
95.04984	4.3
95.08617	47.2
97.02909	18.4
97.10175	6.1
99.04451	9.2
99.08115	6.2
105.01868	49.3
105.07034	26.4
107.08594	51.1
109.02872	6.8
109.10159	49.2
117.07041	3.8
119.08594	22.8
121.10151	51.2
123.08075	3.8
123.11705	17.8
125.09624	5.1
127.03948	40.4
127.05389	3.3
127.11208	52.6
130.79881	3.5
131.08562	7.4
133.10110	11.8
135.11722	17.5
137.13286	4.4
143.10716	20.9
145.04938	17.7
145.10098	10.9
147.11687	18.0
149.12068	4.6
149.13266	96.0
157.10017	4.2
159.02946	5.1
159.11668	16.7
161.13268	15.9
161.37741	4.3
163.14853	21.8
173.13225	17.2
175.14815	4.9
177.16426	6.7
179.14354	4.0
187.14812	30.7
189.16408	14.3
191.17911	6.5
200.01762	3.7
201.16356	7.7
203.18002	20.3
213.14618	3.6
215.17932	9.6
217.19574	5.6
219.40054	3.3
231.02982	3.6
231.04912	19.7
248.07816	4.8
249.06000	11.2
254.30901	4.5
271.24246	50.2
284.09735	8.7
287.23740	4.9
289.25275	100.0
307.26266	12.3
364.70337	4.1
537.29773	4.5
614.59814	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	590.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	5.0
54.50752	2.8
55.05503	11.9
57.07063	5.2
59.04997	3.6
67.05502	28.5
69.07063	12.4
69.23128	2.6
71.04986	6.9
71.08644	4.1
71.50086	3.4
76.96681	3.0
79.05497	30.3
80.06279	4.4
81.07054	67.0
83.08619	4.5
85.06523	8.3
91.05480	33.0
93.07043	52.5
94.07854	4.4
95.04960	13.0
95.08607	100.0
101.82982	2.8
105.07035	92.6
107.08598	46.5
108.09369	8.2
109.06532	6.5
109.10158	23.3
109.48138	2.6
111.08093	4.7
117.07011	10.5
119.08590	51.7
119.31792	3.2
121.06521	5.8
121.10168	16.2
123.08052	10.5
123.11687	4.9
125.09628	13.2
128.06203	3.5
129.07021	8.0
131.08574	23.3
133.10126	25.0
135.08051	8.3
135.11690	10.7
136.08833	10.7
137.09616	10.5
137.13245	5.3
139.11163	9.2
141.07024	4.8
142.07779	12.8
143.08551	38.5
145.10124	28.0
147.11676	25.8
149.09573	7.1
149.13268	8.4
155.08597	5.7
156.09230	5.3
157.10129	47.2
159.11723	31.2
160.12421	2.9
161.09608	6.1
161.13254	6.5
163.14835	4.0
169.10127	7.6
171.11687	16.5
173.13257	25.1
175.11143	4.3
175.14862	3.8
183.11702	12.9
185.13235	4.4
187.14839	6.4
189.16426	12.1
191.14346	4.2
199.14792	39.6
201.16394	9.2
207.17444	8.9
213.16374	18.8
214.17207	5.5
215.17947	12.7
217.15881	15.1
225.16371	11.9
243.17462	29.2
261.18500	12.4
278.21310	8.2
324.28140	3.6
388.09216	3.7
533.21252	3.8
590.41187	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	590.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.0
55.01855	2.0
55.05497	2.2
57.13401	2.0
65.31148	1.9
67.05490	5.4
69.03424	6.0
69.07062	4.4
69.99365	4.7
69.99761	3.2
71.04996	3.5
74.29341	1.8
79.05452	2.1
79.26418	1.9
81.03417	7.0
81.07049	6.3
83.08599	3.5
85.02902	12.4
85.06544	24.9
87.00829	7.3
93.07042	5.1
95.08588	4.8
97.02917	4.6
97.06522	2.4
99.04427	2.9
105.01889	3.1
105.07031	6.8
106.06614	2.8
107.07343	13.6
107.08588	8.7
109.02887	5.3
109.10153	15.1
111.08098	2.5
119.08564	6.2
121.10155	11.7
122.09670	100.0
123.11709	6.1
127.03925	7.6
131.08488	2.4
133.10139	9.1
135.11736	2.7
145.04935	2.7
145.10144	4.0
147.11684	6.3
149.13287	3.7
159.11691	8.4
161.13219	3.2
162.55653	1.9
164.07005	4.1
173.13240	5.7
175.14861	2.9
215.17960	6.1
231.21211	2.2
233.18979	2.0
271.24167	7.9
287.19101	2.1
289.25226	26.3
307.26208	12.7
452.18018	2.2
453.18448	2.2
470.18903	4.1
591.27869	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	590.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.0
55.01855	2.0
55.05497	2.2
57.13401	2.0
65.31148	1.9
67.05490	5.4
69.03424	6.0
69.07062	4.4
69.99365	4.7
69.99761	3.2
71.04996	3.5
74.29341	1.8
79.05452	2.1
79.26418	1.9
81.03417	7.0
81.07049	6.3
83.08599	3.5
85.02902	12.4
85.06544	24.9
87.00829	7.3
93.07042	5.1
95.08588	4.8
97.02917	4.6
97.06522	2.4
99.04427	2.9
105.01889	3.1
105.07031	6.8
106.06614	2.8
107.07343	13.6
107.08588	8.7
109.02887	5.3
109.10153	15.1
111.08098	2.5
119.08564	6.2
121.10155	11.7
122.09670	100.0
123.11709	6.1
127.03925	7.6
131.08488	2.4
133.10139	9.1
135.11736	2.7
145.04935	2.7
145.10144	4.0
147.11684	6.3
149.13287	3.7
159.11691	8.4
161.13219	3.2
162.55653	1.9
164.07005	4.1
173.13240	5.7
175.14861	2.9
215.17960	6.1
231.21211	2.2
233.18979	2.0
271.24167	7.9
287.19101	2.1
289.25226	26.3
307.26208	12.7
452.18018	2.2
453.18448	2.2
470.18903	4.1
591.27869	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	589.4831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.5
55.01863	3.9
55.05509	30.2
57.03437	8.8
57.07076	22.9
59.05008	2.4
60.86849	2.3
65.03948	3.6
67.05506	77.6
69.07065	36.8
71.05006	3.7
71.08624	20.3
71.49650	2.6
79.05492	39.3
81.03423	4.3
81.07057	83.8
83.04971	4.2
83.08624	30.3
85.06561	3.5
85.10175	5.1
91.05486	22.7
93.07049	48.4
95.04979	5.8
95.08606	59.4
97.06537	5.3
97.10171	15.5
99.08136	6.6
105.07016	19.7
107.08587	35.1
109.06528	2.3
109.10157	32.0
111.08102	4.4
111.11736	3.1
111.19701	1.9
117.07052	6.0
119.08606	20.1
119.19806	2.3
119.70629	2.4
121.10141	29.0
123.11729	16.6
125.09621	3.7
131.08530	13.7
133.10146	13.8
135.11705	22.8
137.06024	7.7
137.13269	5.3
145.10130	11.6
147.11713	11.3
149.13260	13.4
149.78838	2.3
151.11253	4.8
159.11749	9.8
161.13261	10.7
163.11272	6.6
163.14882	5.5
171.11716	2.7
173.13303	8.2
175.14886	2.9
177.16486	2.9
179.14339	5.8
185.13280	3.1
187.14841	3.2
189.16380	4.0
219.21069	3.2
237.22261	3.5
239.23802	3.5
243.21179	6.2
247.20680	2.2
259.20764	4.5
261.22156	26.1
277.18289	5.1
277.21713	14.1
308.29520	4.2
311.25821	38.0
313.27530	3.3
317.24985	4.6
321.24335	2.8
335.25891	23.1
337.27319	3.9
497.43121	10.1
515.44806	3.2
551.02734	2.9
571.47296	20.8
589.48322	100.0
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
52.84461	1.7
53.03945	4.0
55.01886	1.7
55.05511	27.8
57.03438	11.7
57.07075	22.2
61.05001	1.3
65.03938	2.0
67.05506	77.9
69.07073	38.0
69.20005	14.1
71.04982	4.5
71.08633	12.8
79.05494	39.4
81.03415	3.8
81.07056	85.0
83.04977	3.6
83.08621	24.4
85.06543	4.7
85.10191	5.6
85.39191	1.3
91.05486	26.9
93.07047	51.5
95.04975	2.5
95.08611	67.1
97.06534	6.1
97.10164	13.5
105.07038	27.5
107.08592	29.6
109.10167	30.2
111.08112	1.9
111.11715	3.6
112.02901	1.5
113.09583	2.6
117.07021	9.7
119.08595	23.6
121.10147	34.0
123.11699	15.9
125.09672	2.3
129.07014	1.8
131.08595	15.1
133.10126	19.0
135.11699	23.0
137.09610	1.9
137.13275	6.3
140.23396	1.5
143.08568	4.1
145.10109	14.7
147.08080	2.3
147.11678	18.2
149.13277	14.0
151.11154	2.0
151.14778	1.9
157.10133	3.7
159.11668	11.0
161.13251	13.4
163.11218	2.1
163.14838	7.5
165.09123	1.9
171.11713	4.6
173.13293	8.3
175.14886	5.2
177.16431	2.5
185.13251	3.9
187.14784	3.1
189.16402	3.6
191.17992	2.2
199.14868	3.4
201.16405	2.7
215.17885	2.3
217.19542	2.1
219.21056	2.2
231.21019	1.7
233.19063	2.8
233.22693	3.0
237.22168	1.9
239.23779	1.8
241.19632	5.3
243.21028	4.8
245.22804	1.6
247.20653	2.5
259.20609	15.7
261.22116	21.3
275.23846	2.2
277.17929	3.2
277.21674	3.2
279.23273	1.7
311.25815	27.8
313.27405	24.9
317.24789	2.4
321.24686	2.3
325.27396	2.5
333.24472	5.8
335.25806	19.3
337.27475	2.4
339.29065	1.6
477.36206	4.7
485.28604	1.8
497.43451	7.2
515.44891	5.0
553.45392	1.9
571.47314	26.0
589.48334	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.4
55.01861	1.7
55.05281	1.0
55.05519	14.9
56.05013	0.9
57.03450	9.5
57.07083	43.7
65.03929	2.1
67.05512	39.7
68.05827	0.9
69.07079	16.2
70.41018	2.8
71.04978	2.4
71.08636	33.0
79.05079	1.6
79.05501	25.0
80.18023	0.8
81.03420	1.9
81.07063	44.1
83.04985	1.5
83.08625	15.4
85.06532	2.8
85.10186	17.8
89.06050	2.2
91.05488	35.1
93.07053	31.6
95.04948	3.9
95.08612	42.8
97.06525	2.7
97.10184	8.4
99.08117	2.0
102.18841	0.9
103.05499	1.0
103.07571	0.9
105.07043	36.0
107.08606	17.1
109.06490	1.1
109.09467	1.6
109.10165	17.8
111.08067	1.8
111.11692	1.9
113.09615	1.1
117.07028	9.7
119.06073	0.8
119.08596	35.2
121.10166	12.4
123.08042	2.6
123.11707	6.1
125.09573	1.3
125.13301	1.0
127.08665	1.4
128.06230	1.2
129.07025	6.3
131.08582	14.3
133.06433	1.0
133.10147	25.4
135.08041	1.9
135.11705	10.6
137.05995	1.2
137.09656	1.8
137.13274	1.4
141.06630	3.3
143.08556	6.1
145.10133	13.8
147.08075	2.2
147.11693	28.0
149.09572	2.7
149.13271	9.7
157.10135	6.1
157.13348	2.5
159.11711	12.5
161.09607	1.0
161.13283	23.0
163.11148	2.4
163.14841	3.5
171.11697	8.7
173.13287	8.9
175.11136	2.1
175.14856	14.8
179.14340	2.4
181.96170	1.0
185.13269	6.9
187.14809	3.2
189.12712	1.1
191.14241	1.4
199.14819	3.8
206.22638	0.9
213.16364	2.8
215.17973	2.2
217.19475	1.0
231.17513	1.4
231.21126	7.2
239.23692	5.0
241.19542	32.1
243.21027	1.6
257.18826	1.3
257.24756	1.6
259.20593	60.9
267.67545	0.9
275.19965	1.3
277.21689	3.6
289.21677	1.0
313.27393	100.0
314.27774	2.2
315.23254	5.9
333.24277	40.5
334.39023	1.0
349.23447	1.6
351.25098	2.3
407.30701	1.0
477.35535	3.6
491.37231	2.2
497.43396	2.2
522.38373	1.3
571.47388	8.3
589.49036	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.7
54.39093	2.1
55.05513	29.5
57.03440	8.7
57.07085	22.8
57.07374	3.0
59.05003	5.8
67.05506	74.3
69.07066	30.1
69.23180	2.1
69.30290	14.3
71.08635	15.0
79.05502	43.2
81.03461	3.1
81.07060	83.9
81.07536	4.4
83.04984	3.6
83.08611	18.6
85.06555	4.8
85.10207	5.7
85.13049	2.1
89.06044	5.5
91.05477	20.9
93.07046	47.2
95.04982	5.2
95.08613	60.8
97.06525	3.9
97.10181	15.6
98.21532	4.3
98.25777	2.1
99.08083	5.0
105.07036	19.4
107.08596	29.5
109.10161	29.1
111.08064	2.5
111.11733	4.5
112.41000	2.0
113.09687	2.3
117.07048	4.9
119.08608	15.5
121.10147	26.9
123.11708	14.6
125.09712	2.9
131.08562	13.2
133.10136	16.9
135.11702	20.5
137.06029	6.7
137.13269	6.7
143.08588	2.3
145.10162	12.1
147.11679	10.8
149.13298	9.4
151.11241	5.3
159.11774	8.4
161.13344	8.0
163.11249	2.5
163.14868	3.8
173.13329	7.6
175.14786	2.9
179.14371	4.3
185.13307	2.4
187.14926	2.7
189.16508	4.2
201.16458	4.4
217.19635	2.4
237.22322	2.9
243.21178	3.4
259.20795	4.4
261.22177	23.9
277.18073	5.4
277.21701	13.6
295.22745	3.1
307.31107	2.4
308.29636	4.6
311.25836	29.0
317.24835	4.7
325.27310	2.3
335.25879	19.3
367.93036	2.2
497.43710	7.0
515.44745	5.5
571.47296	20.9
589.48425	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.6
55.05508	1.4
57.03427	0.7
57.07079	1.3
59.12972	0.5
65.14902	0.6
67.05488	2.4
67.17522	0.6
69.07057	0.7
69.82504	0.6
70.51128	0.6
71.08627	1.5
78.70197	0.6
79.05511	1.6
81.07062	1.9
83.08601	0.7
91.05503	0.9
93.07037	0.7
95.08619	2.1
98.21564	1.2
104.79546	0.7
105.07050	1.1
107.08582	1.1
109.10145	1.2
119.08597	0.9
121.10161	0.8
133.10149	1.0
137.76648	0.6
204.95204	0.7
217.86182	0.7
309.20389	3.8
313.27448	1.9
314.27649	1.8
337.23428	1.4
561.25098	1.5
589.24835	3.6
589.44354	100.0
590.44879	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4439
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06895	0.4
51.39399	0.4
55.01864	0.5
55.05508	0.5
57.03434	0.5
57.07063	0.8
59.05001	0.9
62.09178	0.4
67.05502	0.9
69.07084	1.0
71.08639	1.2
71.49758	0.7
79.05485	0.9
81.07050	1.2
83.08604	0.7
89.06052	0.9
91.05499	0.7
93.07057	0.7
95.08639	0.9
105.06998	0.8
107.21758	0.4
109.10142	0.5
110.10478	0.5
189.65628	0.4
259.20828	0.5
263.58752	0.5
303.23035	0.8
309.20334	7.0
313.27478	1.2
314.27594	0.9
321.71521	0.4
494.58487	0.5
549.32056	0.5
589.44281	100.0
590.44586	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	589.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83262	3.5
55.01851	4.5
55.05503	11.5
57.03424	4.5
57.07074	3.7
67.05497	14.7
67.76178	3.7
69.03425	15.1
69.07063	19.9
71.05001	25.0
71.36230	7.0
71.94643	4.2
72.37197	3.4
79.05495	9.6
81.03411	8.0
81.07056	34.0
83.08625	6.5
85.02895	22.0
85.06545	60.4
86.06881	10.3
87.00829	13.6
91.05468	12.1
93.07062	19.6
95.08614	60.0
97.02888	9.6
97.06522	10.4
97.10154	4.5
99.08070	5.7
105.01865	8.1
105.07015	26.5
107.07354	4.4
107.08607	40.4
108.08134	5.8
108.08891	3.6
108.37428	3.5
109.02899	10.4
109.10152	43.1
111.08116	5.0
113.09658	5.8
117.07040	4.5
119.08572	36.0
121.10145	33.8
121.15416	3.6
122.06018	4.4
122.09691	46.2
122.10502	8.6
123.08111	3.8
123.11699	14.7
124.11217	4.8
125.09646	15.2
127.03922	13.9
127.08620	3.8
127.11205	32.0
131.08591	10.8
133.10124	22.7
134.10516	4.3
135.11705	24.4
137.09595	10.8
139.11180	13.8
143.10751	3.9
145.10121	17.8
147.11684	26.3
148.12045	7.4
149.13271	9.4
151.14835	3.8
157.10156	9.2
159.11711	35.2
160.12045	4.8
161.13239	28.0
162.13589	7.3
163.14847	18.0
164.07100	8.3
171.11714	6.2
173.13260	17.8
174.13617	4.6
175.14838	12.5
179.14276	4.4
180.56517	4.1
181.15959	5.7
185.13266	8.4
187.14842	7.5
189.16341	8.8
201.16394	31.7
213.16345	5.0
216.92329	3.9
219.17477	17.4
220.17825	5.9
223.17038	4.2
227.17896	5.4
229.19527	12.9
230.19833	12.8
231.17387	4.2
248.21031	7.3
255.11360	3.8
257.22482	3.8
269.22653	26.2
270.23010	13.9
279.23242	6.6
287.23654	60.5
288.24094	33.1
305.24744	76.7
306.16000	8.2
306.25067	24.6
323.25830	100.0
324.26147	36.2
325.15341	5.7
336.17050	3.9
366.18057	8.4
384.19006	5.0
408.19067	21.5
426.20172	16.9
468.18073	4.6
589.26300	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	589.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.9
54.85805	2.1
55.01873	3.3
55.05502	9.2
55.51899	2.5
57.03432	3.0
57.07075	4.3
57.37479	2.0
67.05505	18.2
69.03426	11.5
69.07074	14.7
69.14896	17.1
69.15320	5.7
71.04997	26.3
73.02902	3.8
79.05491	8.6
81.03428	12.3
81.07063	43.2
83.08606	7.9
85.02538	2.0
85.02918	23.8
85.06551	37.5
86.06863	7.3
87.00818	9.1
91.05491	15.3
93.07043	27.0
93.44211	2.0
94.06552	5.3
94.63869	2.2
95.08610	66.1
97.02867	6.9
97.06527	7.7
97.10158	4.6
99.04470	2.4
99.08131	5.7
105.07037	26.2
105.88055	2.1
106.06599	4.5
107.07339	6.8
107.08595	40.4
108.08913	2.6
109.02855	8.0
109.10159	46.7
110.10515	4.7
111.08083	4.4
113.09643	5.1
117.01864	3.8
117.07030	3.6
119.08584	32.6
121.10152	32.4
122.09674	51.3
122.10465	3.7
123.08086	4.5
123.11704	17.1
124.11178	6.8
125.09636	14.8
127.03921	9.9
127.11191	33.3
128.04276	2.2
129.06990	2.6
131.08598	10.9
133.10139	26.9
135.11682	18.0
136.12035	2.4
137.09612	25.0
137.13263	7.4
139.11162	10.3
143.08517	3.2
143.10657	6.2
145.04970	3.5
145.10121	16.0
147.11693	25.4
148.12009	2.2
149.13222	13.1
151.11131	3.3
155.10663	3.6
157.10149	10.5
159.02791	3.1
159.11694	30.9
161.13272	22.5
162.13626	3.6
163.14825	23.1
164.07056	6.5
165.12758	6.1
167.14212	2.4
171.11708	6.2
173.13266	21.5
174.13649	4.0
175.14813	10.1
177.16356	4.6
179.14377	4.5
181.15871	5.1
185.13281	6.0
187.14796	10.1
188.15222	2.5
189.16414	15.2
199.14827	6.5
201.16397	41.8
213.16373	9.9
215.17902	7.9
219.17421	11.1
223.16933	7.3
227.17882	6.1
229.19563	8.4
230.19844	6.1
231.17419	2.6
232.75061	2.3
243.21057	4.9
261.22162	2.4
269.22662	28.1
270.22998	10.0
279.23172	4.7
287.23706	52.3
288.24081	21.6
291.74054	2.5
305.24774	73.9
306.15936	5.1
306.25095	18.5
323.25821	100.0
324.26129	18.6
341.27005	3.1
366.18121	6.7
384.19220	4.5
390.17911	2.8
408.19186	8.7
426.20197	8.2
468.17566	3.2
571.24963	2.7
589.26440	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	589.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.5
55.01878	6.1
59.75978	1.2
65.03934	2.4
67.05521	7.1
68.90678	1.3
69.03424	2.7
69.07084	2.5
69.55773	2.9
69.56190	6.0
79.05499	3.7
81.03413	1.9
81.07063	4.4
84.08144	1.5
85.02913	2.6
91.05486	10.1
93.05805	4.8
93.07041	7.3
93.73347	1.5
94.06557	11.3
95.04943	2.4
95.08623	3.0
97.02879	2.2
97.06540	2.2
105.07028	1.6
106.06548	2.5
107.07348	6.8
107.08610	2.8
108.08116	20.8
109.08942	1.6
110.06042	1.9
118.06557	1.5
119.04977	5.9
120.08107	3.0
121.06508	2.2
121.08842	1.7
121.23215	1.1
122.06039	17.2
122.08792	1.7
122.09681	33.0
122.10574	1.1
123.04464	1.2
123.11717	2.3
127.03922	1.2
127.08677	1.6
131.07343	2.3
134.06001	1.4
134.09642	1.5
136.07584	26.5
136.08572	2.3
146.09627	8.4
147.04410	5.0
148.11192	3.3
149.13382	1.2
162.05504	3.8
163.03932	2.7
164.07076	54.2
176.07051	3.7
176.10728	1.4
184.87057	1.4
186.09251	1.3
189.06575	1.9
194.88795	1.4
200.07153	1.3
201.10295	2.4
203.03516	1.6
203.08147	2.4
212.07115	3.0
217.09723	4.3
219.07520	2.5
227.08086	1.6
227.11800	2.2
229.09682	5.9
230.08183	2.6
231.07777	2.1
233.09171	4.2
235.10789	3.6
241.09657	3.1
242.10529	2.1
243.11290	2.8
244.09775	2.7
245.09262	5.4
247.10715	2.0
254.08224	1.5
257.09262	1.5
261.08752	3.5
263.15598	1.7
265.13272	1.6
271.10803	5.9
271.14447	4.9
277.12112	10.0
278.12943	2.9
290.13123	2.3
291.13797	2.3
292.14474	2.2
293.16473	4.8
294.12332	1.4
295.10730	2.3
296.13898	2.5
297.12320	2.4
304.14551	2.3
306.16010	38.7
307.13974	2.8
308.13882	1.5
313.11948	2.0
318.12317	2.4
320.13968	3.9
320.17612	2.8
321.16077	2.1
324.17084	12.2
325.15366	13.2
332.13791	3.0
335.16254	4.7
336.13458	2.3
336.17099	14.3
337.14255	2.9
338.14944	4.3
338.18738	2.2
339.13333	1.7
347.16156	6.3
348.17062	6.7
349.15485	4.1
350.14761	4.8
355.15561	1.7
362.18863	2.7
365.17392	8.3
366.18134	51.4
367.16476	25.2
376.12833	1.6
384.19211	37.5
390.17920	11.1
391.16183	3.1
392.16199	1.7
406.17599	6.3
408.19208	100.0
409.18231	4.3
426.20251	94.2
427.20587	2.5
432.19235	1.8
434.17087	17.0
450.20148	5.1
452.18137	13.3
525.24878	1.7
529.24426	3.7
547.25305	3.1
553.24756	2.2
571.25500	18.3
589.26349	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	589.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.6
55.01867	4.1
56.05043	5.9
63.83939	0.9
67.05500	5.3
69.07076	1.2
70.74095	3.2
72.84546	1.0
79.05505	2.2
81.07043	2.2
84.08125	2.7
85.06544	1.1
86.09710	1.6
91.05505	7.6
93.05804	3.5
93.07049	7.2
94.06571	7.9
95.04964	1.0
98.97568	1.0
99.59216	1.0
105.01801	1.1
105.07013	1.3
106.06583	3.2
107.07342	7.3
107.08552	1.5
108.08115	19.6
109.08888	1.3
118.06513	1.5
119.04931	5.3
119.08563	1.2
120.08106	2.6
121.06518	2.5
121.10140	1.7
122.06061	10.9
122.09671	55.9
127.03942	1.3
127.08677	12.3
128.08937	1.1
131.07320	1.0
132.08118	1.2
134.06076	1.4
134.09633	2.2
136.07585	20.2
136.11200	2.0
146.09654	7.6
147.04443	2.6
148.11197	2.4
162.05531	3.1
162.09084	1.2
163.03896	1.1
164.05690	2.5
164.07068	41.7
169.13373	4.5
174.09180	1.3
175.08714	1.3
176.07098	3.3
176.10669	1.1
177.90178	1.0
184.07628	1.4
189.06540	1.6
197.75233	1.1
201.10190	1.6
203.08142	4.7
211.08742	1.0
212.07011	1.3
212.10753	1.3
215.08128	2.8
216.10220	3.4
217.09763	2.7
219.07677	2.9
226.08604	1.5
229.09732	4.0
230.08167	2.6
231.07668	3.1
231.12634	4.8
233.09238	4.6
235.10730	1.7
243.11288	2.1
244.09622	1.2
245.09190	5.3
246.12352	4.3
255.07451	1.5
257.09055	2.4
258.45264	1.2
259.10770	2.1
261.08691	2.7
265.13565	1.2
271.10724	5.1
271.14386	3.9
277.12088	8.1
278.12982	2.5
279.11115	1.6
288.17111	7.4
289.11960	1.7
290.12543	1.7
291.13812	2.0
292.14722	1.4
293.16339	3.8
294.15970	1.3
296.13931	2.4
297.12253	2.1
304.14566	1.8
306.16013	33.4
307.14285	3.6
308.13705	1.2
310.15527	1.4
313.11777	1.5
318.16144	1.8
319.16998	1.4
320.14246	1.9
320.17474	2.4
321.15909	2.8
324.17151	7.7
325.15509	11.4
332.13641	2.8
335.16293	3.5
336.13477	1.6
336.16995	14.3
337.14343	4.5
338.15082	2.6
347.16403	7.3
348.17059	4.9
349.15417	2.5
350.15024	3.0
364.16583	1.6
365.17679	7.4
366.18137	37.9
367.16479	18.3
368.15952	1.1
374.23599	1.1
379.15216	1.5
380.15640	1.7
380.19724	3.1
384.19174	28.6
390.18140	10.0
391.16504	1.3
392.15942	2.0
406.17676	4.7
408.19196	100.0
409.17978	3.9
426.20224	86.3
427.20789	1.2
432.19138	1.8
434.17126	14.6
450.20581	5.1
452.18326	13.3
466.16293	1.8
466.22986	1.8
468.17661	3.0
511.23441	1.4
525.24622	1.7
529.24500	2.6
547.25616	2.0
553.24310	3.6
571.25470	17.8
589.26501	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	6.2
55.01884	5.9
57.03426	3.6
59.04987	3.5
60.49418	0.8
61.02917	2.8
65.44080	0.8
67.05495	1.3
68.99792	4.0
69.03433	21.6
70.52785	2.6
71.04984	3.4
71.35691	0.8
73.02906	3.3
75.07515	0.8
79.05490	1.8
81.03423	27.0
81.07044	1.7
81.08428	0.9
85.02909	41.7
87.00838	17.0
91.05531	4.2
94.04182	3.1
95.04940	1.2
97.02898	14.2
99.04464	9.5
103.03972	1.7
103.07590	1.1
105.01867	8.6
105.03423	0.8
105.07035	1.2
107.04941	1.1
109.02885	18.3
109.06497	3.1
115.03925	1.7
115.05449	1.7
117.01849	3.9
117.07013	1.0
119.04947	2.2
122.03658	7.5
127.03924	29.6
129.01819	2.8
129.06975	2.9
131.04950	1.9
131.07025	1.5
131.08585	1.0
133.02805	2.3
133.06488	1.1
137.05983	100.0
141.06987	2.9
144.05661	0.9
145.04973	10.5
145.06110	1.5
147.02916	1.9
149.06006	2.7
151.03937	1.4
151.06416	1.5
151.07558	14.2
153.05402	0.8
157.06464	2.3
159.02908	13.0
160.05150	2.3
161.06004	2.0
163.03937	1.1
163.07584	2.0
165.05484	1.7
169.06465	1.3
172.05183	2.7
174.06767	2.2
175.07544	13.2
177.04048	0.8
177.05443	3.6
177.09099	1.6
179.07053	2.9
185.05913	1.1
186.06714	1.1
187.07544	19.2
189.09081	7.6
191.08588	1.1
199.07579	2.2
201.09164	8.5
202.07835	1.4
203.08586	3.3
205.08565	1.1
205.10315	1.1
211.07527	5.6
213.03967	0.9
217.08524	5.3
218.07338	1.4
219.08078	2.1
220.08748	2.2
227.07053	1.6
231.04950	3.5
231.08047	3.6
232.08945	1.0
233.06079	1.0
233.09579	2.6
234.06856	1.2
237.09038	2.4
239.06966	2.9
240.07874	4.2
247.07553	2.5
248.08342	6.1
249.08994	1.6
251.10698	2.5
255.06541	1.1
256.07303	2.9
258.72162	0.9
259.07556	1.6
260.08368	1.5
261.09009	4.2
263.10706	7.0
264.07831	2.2
265.08630	2.3
267.10034	1.0
268.07199	1.1
270.08795	2.5
271.09665	22.2
275.10596	1.2
276.07785	4.6
277.08560	2.8
279.10141	4.9
281.08020	1.6
281.11581	0.8
283.09625	3.4
285.11234	1.2
291.10190	18.8
293.08084	4.1
293.11679	3.2
295.09668	2.6
296.10416	3.1
297.11322	2.4
307.09662	2.3
308.10361	2.3
309.11237	2.9
311.12820	5.5
321.11252	2.0
323.09470	0.8
323.12793	20.6
325.14398	13.7
333.11105	1.0
341.13858	28.1
342.14624	0.9
347.12518	1.5
347.87100	0.9
365.13861	1.7
383.14783	1.2
483.22012	1.3
497.73947	0.9
554.09106	0.9
586.87079	1.0
589.26563	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.2
55.01868	3.6
56.86347	1.3
57.03416	3.6
61.02917	4.0
64.07698	1.2
68.99786	3.2
69.03434	23.7
69.31683	9.1
69.32099	2.3
71.04987	2.7
73.02895	5.1
81.03419	21.1
81.94404	1.6
85.02905	43.2
87.00830	18.0
91.05463	5.3
94.04184	3.8
95.04909	1.4
97.02895	14.5
97.06512	2.6
98.20788	2.2
99.04447	11.5
103.05451	1.9
105.01859	9.8
105.07034	6.8
107.04955	1.8
109.02879	20.3
109.06519	2.3
114.77676	1.4
115.05441	3.2
117.01830	2.1
119.04962	1.3
119.08595	2.1
121.06549	1.7
122.03677	6.7
127.03924	39.3
128.06198	2.7
129.01816	3.8
129.07004	2.9
131.04878	2.1
133.06500	4.4
137.05980	100.0
144.05807	1.4
145.04999	7.9
145.06508	1.8
147.02879	2.8
147.04428	3.3
147.08058	2.7
149.06004	1.8
151.07553	2.6
157.06474	2.1
159.02890	10.6
159.07994	3.1
160.05138	1.5
161.05997	17.5
163.07538	2.4
172.05202	5.0
175.07545	25.5
177.05447	1.7
179.07013	2.2
187.07542	21.1
189.09088	3.1
191.08565	7.9
192.09308	1.7
199.07457	9.2
201.09016	2.8
202.07809	2.7
203.08604	6.0
211.07477	1.9
217.08531	6.8
219.08044	12.7
220.08842	3.3
229.08630	4.2
230.07356	1.5
231.05005	4.4
231.08067	11.1
232.08662	1.8
234.06546	2.0
236.08226	2.5
241.08578	1.8
247.07552	4.3
248.08342	6.3
249.09070	1.3
250.14371	2.8
251.10713	10.8
253.08397	2.0
259.07605	6.1
260.08536	1.8
261.09232	2.0
263.10632	6.1
264.07773	3.0
265.08600	2.6
271.09738	2.8
275.10715	1.7
276.07895	4.8
277.08566	3.7
279.10181	10.6
280.11081	2.0
283.09641	1.5
291.10126	12.5
292.10861	2.5
293.08139	2.1
293.11414	2.3
296.10431	1.8
297.11334	1.7
308.10275	4.4
309.11160	1.8
311.12778	30.0
321.11111	2.1
323.12790	26.8
325.14255	2.5
335.12885	2.8
341.13721	10.2
353.13867	4.0
365.14120	1.9
383.14664	2.9
410.21268	2.2
523.15747	1.7
553.17157	2.2
607.94653	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.9
55.01854	1.7
57.03429	1.0
61.02926	1.2
68.02007	0.5
69.03429	7.4
70.73945	1.6
71.04974	0.8
72.43903	0.6
73.02919	1.5
79.05490	1.5
81.03423	7.3
81.07056	1.3
85.02911	15.6
87.00827	5.2
91.05503	4.0
94.04195	2.8
97.02888	4.0
99.04472	3.6
103.05472	1.1
104.06197	0.7
105.01850	3.6
105.07040	5.1
109.02885	9.0
109.06527	1.9
109.10143	1.0
115.03947	0.7
115.05457	3.7
117.01851	1.1
117.07057	1.7
119.04954	1.6
119.08569	2.3
120.08118	1.8
121.06546	1.0
121.08801	0.7
122.03669	7.0
122.09785	0.6
127.03932	12.8
128.06262	2.1
129.01817	1.1
129.07024	2.2
131.04979	1.5
132.05734	2.6
133.06508	5.1
137.05984	100.0
138.06348	0.9
138.09143	0.9
144.05713	0.9
145.04987	3.0
145.06468	0.9
146.03621	1.1
147.03026	0.6
147.04424	1.8
147.08020	3.4
149.05989	1.2
151.07571	0.7
155.04947	1.2
156.05754	0.7
159.02888	3.8
159.08072	2.7
159.11647	0.7
160.05229	1.4
161.05983	16.4
171.07993	1.2
172.05194	1.0
175.07552	28.7
176.07912	0.6
177.43016	0.6
179.07001	1.8
184.05197	1.2
187.07550	8.3
189.09190	0.9
190.07816	2.0
191.08574	6.2
194.31340	0.6
199.07526	5.6
202.07745	3.5
203.08560	7.2
205.06613	1.3
205.10382	0.7
208.08859	0.7
218.07346	2.7
219.08083	10.8
220.08859	3.2
229.08537	1.0
231.05069	2.2
231.08064	7.1
232.08771	1.7
235.07640	1.1
236.08292	1.5
237.09012	1.1
247.07542	4.5
248.08296	4.4
249.09145	1.1
251.10692	15.3
259.07513	6.2
260.08356	1.8
261.09079	1.5
263.10690	5.1
264.07861	1.8
265.08594	1.1
272.08609	0.6
276.07779	3.2
277.08649	2.1
279.10184	9.3
280.10974	1.5
281.08182	1.0
291.10159	12.0
292.10928	2.2
293.08041	1.7
295.13159	1.0
303.10379	0.8
308.10455	2.5
311.12772	31.1
321.11215	1.5
321.58759	0.6
323.12808	23.7
324.13333	0.8
335.12753	1.6
341.13870	1.4
353.13788	0.9
365.13644	0.7
377.13742	0.7
452.18228	0.8
483.89349	0.7
589.26520	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.5
55.01874	5.3
57.03424	3.6
59.68068	1.0
61.02924	3.0
68.99787	2.6
69.03437	17.0
69.73668	5.8
71.04980	2.4
73.02906	2.8
75.32120	1.2
81.03423	19.6
85.02912	33.4
87.00838	15.0
91.05473	4.0
92.74720	1.2
94.04189	2.6
95.04942	1.4
97.02888	10.4
99.04466	7.1
105.01887	8.8
105.07062	1.4
109.02884	20.5
109.06525	1.9
115.05457	1.2
117.01790	2.1
117.39778	1.3
119.04915	1.8
122.03641	6.7
127.03930	28.4
129.01839	2.2
129.06975	3.7
131.04898	1.6
133.02873	1.4
133.06438	1.2
137.05984	100.0
144.05731	1.8
145.04971	8.3
147.02899	1.9
149.05960	1.9
151.07576	11.9
157.06473	3.3
158.07280	1.8
159.02890	11.8
159.08006	1.2
160.05153	2.3
161.05998	3.0
163.07515	2.4
165.05412	1.3
172.05190	3.5
174.06775	6.9
175.07545	16.2
177.05453	1.7
179.07076	2.2
186.06729	1.4
187.07550	21.9
189.09134	8.1
191.07069	1.9
191.08598	2.7
196.38646	1.2
199.07529	4.5
201.09119	11.2
202.07741	1.3
203.08539	4.8
205.08534	1.8
211.07574	2.9
217.08582	10.1
219.08040	7.0
220.08774	2.8
231.05025	4.9
231.08107	7.5
233.09615	2.5
235.07362	1.7
236.08208	1.7
237.09171	1.4
240.07736	2.7
247.07564	4.6
248.08350	7.6
249.09116	2.4
251.10695	8.4
253.08438	1.3
255.06483	1.7
259.07449	2.3
261.09012	1.9
263.06976	1.2
263.10721	6.0
264.07782	2.1
265.08511	2.8
270.08755	2.2
271.09674	14.0
276.07727	3.5
277.08588	3.8
279.10132	10.6
281.08038	2.0
283.09662	2.9
291.10162	18.9
292.10864	2.1
293.08099	3.4
293.11658	2.6
296.10443	4.4
297.11163	2.3
307.09824	1.8
308.10431	3.4
309.11133	2.3
310.11963	1.4
311.12820	16.3
323.12805	23.6
325.14270	10.6
328.99789	1.2
341.13794	18.0
359.43961	1.3
365.13818	1.3
403.89203	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.9
55.01862	4.7
57.03442	5.1
59.07767	1.0
61.02908	3.7
65.03890	1.1
68.99779	3.2
69.03437	26.5
70.64243	1.9
71.04986	3.7
73.02927	5.5
77.29579	1.0
77.59602	1.0
79.05474	1.6
81.02943	1.4
81.03420	26.9
85.02911	44.0
87.00840	15.4
91.03941	1.4
91.05476	3.5
94.04185	3.9
95.04942	2.6
97.02319	1.1
97.02899	15.0
99.04449	8.2
105.01869	11.3
107.04900	1.7
109.02887	23.1
109.06496	1.7
111.04445	1.6
115.03896	1.3
117.01865	2.6
117.07063	1.1
117.65427	1.0
119.04960	1.0
122.03646	6.7
127.03931	33.3
128.06194	2.0
129.01845	3.6
129.07060	4.9
131.04961	1.9
133.02863	2.8
133.06444	1.6
137.05988	100.0
141.07043	1.2
144.05661	1.2
145.04990	10.4
145.06119	1.4
145.06493	1.2
147.02878	2.3
147.07977	1.0
149.05989	3.0
151.03888	2.8
151.07570	9.9
157.06458	3.2
159.02910	15.7
160.05266	1.3
161.06006	2.8
163.07527	2.5
165.05499	2.5
169.06548	1.6
171.08150	1.0
172.05174	2.7
174.06799	7.4
175.07574	12.2
177.05376	2.5
177.09090	1.3
179.07051	4.4
183.57397	1.0
187.07562	22.3
188.08243	1.6
189.09114	10.4
190.07846	1.5
191.06953	1.5
191.08514	2.6
196.05295	1.4
199.07520	3.1
200.48427	1.0
201.09074	9.2
203.08553	6.6
205.06622	1.2
205.08577	1.5
211.07550	4.1
213.03828	1.8
217.08623	10.9
218.07175	1.2
219.07976	6.2
220.08859	1.6
228.07922	1.8
231.05054	4.4
231.07999	6.3
232.08752	2.5
233.06134	1.6
233.09592	2.8
235.07417	1.6
236.08405	1.4
237.09085	2.7
239.06989	1.7
240.07765	6.5
241.04825	1.1
247.07539	4.8
248.08322	10.0
249.09091	2.1
251.10728	4.9
253.08688	1.5
256.07288	2.6
259.07553	2.9
260.08340	1.5
261.09125	4.0
263.07098	1.6
263.10675	10.0
264.07819	2.6
265.08545	3.4
270.08844	3.1
271.09665	29.3
276.07770	5.9
277.08517	4.0
278.05856	1.5
278.09131	1.6
279.10156	7.8
281.08090	1.8
281.11819	1.2
283.09705	2.8
291.10184	22.3
292.10953	1.8
293.08090	4.4
293.11502	2.7
295.09674	1.3
296.10437	4.6
297.11023	2.5
305.11734	1.3
307.09598	2.5
308.10364	4.9
309.11200	2.5
311.12851	9.2
321.11145	1.3
323.12784	28.7
325.14319	14.4
335.12830	1.4
341.13846	28.8
347.12802	1.8
462.06866	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.3
55.01873	2.5
57.03421	2.0
69.03446	6.5
69.63254	5.2
70.06599	1.2
71.04998	1.1
73.02923	1.4
75.86643	1.0
81.03429	7.5
85.02911	17.1
87.00835	6.9
91.05472	4.1
94.04185	3.8
97.02868	3.5
99.04427	3.2
103.05448	2.1
105.01878	3.3
105.07026	4.5
109.02878	8.4
109.06506	1.3
115.05469	4.3
119.08627	1.7
119.93395	1.0
121.06523	1.0
122.03635	7.3
127.03928	13.8
129.06982	2.3
131.04910	1.4
132.05724	2.5
133.06508	4.2
137.05986	100.0
137.57196	1.0
141.06970	1.5
145.04958	3.7
145.06570	1.5
146.03615	1.9
147.04405	1.9
147.08041	3.2
148.05952	1.4
151.07518	1.1
155.04933	1.5
159.02878	4.1
159.08023	3.1
161.05992	18.3
171.08086	1.4
172.05214	1.9
175.07559	24.9
179.07043	1.7
184.05348	1.4
187.07564	7.9
190.07791	2.4
191.08528	6.9
199.07590	5.9
199.09183	1.2
202.07758	3.5
203.08609	7.2
218.07318	1.9
219.08081	12.3
220.08841	3.1
230.07298	1.3
231.05115	2.5
231.08070	9.9
232.09041	1.7
233.09859	1.1
236.08287	2.1
247.07564	4.0
248.08261	6.5
251.10715	12.6
259.07617	5.5
260.08362	2.6
261.09158	1.6
263.10736	5.9
264.07733	1.4
276.07782	3.9
277.08447	1.7
279.10202	10.3
285.41852	1.1
291.10156	14.1
292.11023	1.9
293.08261	2.7
296.10403	1.2
308.10361	2.7
309.11151	1.6
311.12787	33.4
323.12811	24.2
335.12930	2.1
347.12836	1.5
377.14166	1.1
483.22144	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.9
55.01860	2.2
57.03430	1.5
61.02912	1.0
66.04696	1.0
68.99789	1.0
69.03431	8.2
69.22151	5.5
71.04979	1.3
71.92467	0.6
73.02911	1.5
79.05486	1.7
81.03424	7.0
81.07030	0.7
85.02912	14.2
87.00841	5.7
87.04515	0.7
91.05486	2.8
94.04185	3.7
97.02891	4.7
99.04465	3.1
103.03898	0.5
103.05492	1.2
104.06232	0.7
105.01872	3.4
105.07043	4.8
107.04963	1.6
109.02888	6.4
109.06535	1.8
115.03930	0.9
115.05424	3.1
117.07004	0.7
117.53796	0.6
119.04958	0.6
119.08594	2.4
122.03664	6.8
124.61535	0.5
127.02991	0.7
127.03922	13.5
128.06258	1.7
129.01799	0.8
129.06979	1.5
131.04933	1.7
132.05734	2.4
133.06493	4.3
137.05984	100.0
138.06363	1.0
141.07036	0.8
143.04941	1.0
144.05722	1.3
145.04967	3.4
145.06451	1.1
146.03664	1.0
147.02850	0.6
147.04430	1.5
147.08090	3.8
149.05977	1.9
151.03912	0.7
151.07561	1.2
155.04861	1.1
157.06514	0.6
159.02904	4.1
159.08040	2.8
160.05223	1.8
161.05988	17.8
163.07594	1.3
171.08076	0.6
172.05211	1.0
175.07552	28.9
179.07053	1.9
184.05254	1.0
187.07550	7.9
189.04010	0.7
189.07001	0.9
189.09171	1.7
190.07822	2.4
191.06960	1.2
191.08553	8.5
192.09221	0.7
199.07561	6.8
202.07736	2.7
203.08582	6.5
205.06508	0.9
207.07996	0.8
208.08904	0.7
215.08702	0.9
217.08580	1.2
218.07269	1.9
219.08054	10.1
220.08876	3.1
226.69179	0.6
229.08714	0.9
230.07245	0.8
231.05087	1.9
231.08076	10.7
232.08792	1.6
233.09453	1.0
235.07515	0.9
235.11279	0.7
236.08356	2.5
237.09100	1.8
241.08673	0.6
247.07555	5.0
248.08350	5.6
249.09175	1.1
251.10690	12.4
258.06833	0.7
259.07562	7.2
260.08398	2.9
261.09116	1.4
263.07962	1.0
263.10629	5.6
264.07764	1.5
265.08536	1.1
273.09003	0.8
275.10699	0.8
276.07877	3.6
277.08575	1.5
279.10156	8.4
280.11017	1.3
281.08209	0.8
291.10144	14.0
292.10992	2.4
293.08179	1.8
295.13211	0.9
296.10635	1.3
303.10147	1.0
308.10455	2.6
309.11206	1.2
311.12808	33.2
321.11160	1.2
323.12793	26.3
324.13229	0.9
333.11285	1.0
335.12772	2.7
341.13867	1.0
353.13950	0.8
369.11725	0.7
401.14108	0.6
483.21805	0.8
523.15936	0.8
612.90601	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	5.4
57.03432	3.3
69.03412	12.6
69.07051	2.7
69.75697	11.6
70.06562	3.4
71.04990	4.5
73.60312	2.3
79.05486	6.4
81.03427	12.2
81.07054	5.6
85.02902	23.3
85.06540	5.1
86.09729	4.0
87.00825	8.6
91.05485	11.3
93.07026	5.3
94.04185	3.0
95.08611	8.7
97.02882	8.0
97.06523	2.9
99.04457	3.8
103.05447	4.0
104.36876	2.2
105.01855	6.5
105.07037	7.7
107.04993	2.7
107.08598	4.4
109.02894	12.4
109.10162	4.4
119.08573	6.8
120.08125	8.9
121.06487	2.6
122.03627	5.5
122.09654	4.9
127.03899	18.3
127.05817	2.2
127.11191	5.5
129.07022	2.6
131.08611	4.0
133.10065	4.6
137.05986	100.0
137.09641	5.1
138.09134	3.1
145.04964	3.2
145.10118	3.3
147.04388	4.7
147.08046	3.1
148.03926	2.7
149.04211	2.8
149.05978	2.5
159.02873	4.5
159.08031	4.5
161.06010	15.5
170.84085	2.9
171.11722	3.2
173.13174	2.5
174.09135	4.6
174.13644	2.2
175.07565	21.6
176.10735	4.6
177.05470	4.2
177.11028	2.9
187.07591	10.6
191.08597	9.1
199.07523	6.7
199.14795	2.9
202.07794	6.4
203.08528	4.6
205.10617	4.5
206.11717	3.3
207.12044	3.8
217.15909	4.0
219.08054	9.9
231.08055	5.6
247.07576	5.4
248.08470	2.9
251.10657	12.4
259.07532	4.3
260.08362	4.2
261.08621	5.2
263.10651	5.7
265.08606	4.4
279.10168	10.0
285.22131	4.1
286.22455	5.2
291.10077	15.2
303.22894	2.7
304.23538	4.1
305.24167	2.6
309.11252	3.7
311.12787	30.5
321.11115	3.3
322.24405	3.4
323.12738	21.7
323.24963	3.9
341.13708	3.4
452.17957	5.0
483.22006	17.3
527.21210	7.8
545.14325	3.2
545.22852	3.4
571.24164	5.3
588.40881	12.0
589.20532	4.6
589.27197	4.1
589.40894	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	588.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75335	4.0
53.03939	9.0
54.36501	3.6
55.01867	4.6
55.05500	14.9
57.03434	5.1
60.08144	5.6
60.57785	4.0
61.02905	6.4
64.94812	4.1
67.05495	18.9
67.08621	4.0
69.03419	29.5
69.07066	28.2
71.05009	5.7
73.02899	8.0
73.54069	3.7
77.65619	4.2
79.05472	17.7
81.03419	26.5
81.07045	40.4
83.08604	13.5
85.02912	54.1
86.09692	32.8
87.00821	19.0
91.05485	17.7
93.07043	33.2
95.08603	45.1
97.02876	16.0
97.06519	16.2
97.10165	7.1
98.20783	15.6
99.04472	5.5
99.08080	9.2
104.10718	7.7
105.01867	9.8
105.07056	26.4
106.07407	4.6
107.08593	40.8
109.02872	17.1
109.06506	4.9
109.10183	35.8
111.08047	4.7
111.11757	5.5
115.07523	5.2
117.07027	5.4
119.08593	29.5
121.10143	30.0
123.08062	14.7
123.11739	24.0
125.00002	20.8
125.09634	17.2
127.03912	24.2
131.08559	13.5
133.10155	22.4
135.11682	15.9
137.09608	7.6
137.13245	9.0
139.11125	4.9
143.08540	6.6
144.23094	4.4
145.04930	11.6
145.10139	16.0
147.11694	20.8
149.09605	4.5
149.13263	24.7
157.10088	13.2
159.02919	7.9
159.11682	16.3
161.13280	25.3
163.11153	5.3
163.14870	24.8
167.10573	4.8
167.14355	12.0
171.11655	11.7
173.13286	12.3
175.14844	11.3
177.12770	7.8
179.14304	11.9
181.15900	7.4
184.05815	3.4
184.07329	100.0
187.14796	4.5
188.42744	4.3
189.16335	7.1
195.13727	4.0
199.14774	10.0
205.15874	5.5
213.16411	10.0
214.18155	7.5
221.15361	5.5
227.18044	4.6
229.19472	6.3
231.17432	9.9
243.21173	7.4
245.22522	6.3
269.22696	22.7
270.22400	5.0
287.23734	40.8
305.24762	71.0
323.25842	52.8
588.37054	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	588.3665
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05716	0.2
55.05517	0.3
56.05043	0.5
58.06609	0.4
59.05000	0.6
60.08166	5.8
63.10010	0.2
65.00466	0.2
66.02846	0.2
67.05493	0.4
69.73290	0.2
71.07378	3.4
71.48669	0.2
79.05500	0.3
81.07056	0.6
84.23466	0.2
86.09710	30.8
91.05495	0.4
93.07075	0.4
95.08591	0.5
97.06532	0.2
98.98474	3.6
104.10744	3.5
105.07042	0.6
107.08593	0.3
109.10178	0.3
119.08585	0.3
123.08064	0.3
125.00011	20.6
133.10120	0.2
135.08128	0.4
136.32274	0.2
143.01070	0.3
145.10126	0.3
150.13158	0.2
167.10677	0.3
171.11644	0.2
175.49442	0.2
179.14362	0.2
184.07347	100.0
220.49628	0.2
250.65329	0.2
311.27048	0.2
570.35095	0.9
588.36847	3.1
606.33746	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.4474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.5
55.01880	8.8
55.05517	18.0
56.05041	5.1
57.03435	11.6
57.07081	43.4
58.53236	2.3
59.05005	3.0
61.05359	2.2
67.05508	34.9
68.05827	2.5
68.84195	2.3
69.07069	20.5
71.04974	6.4
71.08635	30.6
72.08160	3.3
79.05502	30.9
80.05828	3.9
81.03434	19.5
81.07056	41.6
83.04989	12.6
83.08627	16.6
84.08147	5.1
85.02900	6.6
85.06567	5.5
85.10184	14.5
89.06020	4.4
91.05490	24.7
93.07047	27.1
95.04968	8.5
95.08605	36.6
97.02892	9.5
97.06535	9.2
97.10197	6.8
98.06087	2.8
99.04471	4.2
105.07065	15.1
107.04961	17.1
107.08591	17.2
109.06540	12.6
109.10176	16.3
111.04456	25.8
111.08097	4.4
111.11691	4.3
113.05972	2.9
115.08669	6.0
117.07024	10.7
118.85049	3.2
119.06105	3.4
119.08595	15.6
121.06517	6.5
121.10157	14.0
123.08076	3.7
123.11739	6.4
125.06001	7.2
127.08691	18.5
129.07024	5.3
130.58086	2.6
131.08572	11.6
133.10089	5.9
135.11739	13.9
136.11909	2.4
141.06583	30.7
145.06445	3.2
145.10129	23.1
146.60387	2.6
147.11687	4.4
149.09714	3.1
153.12772	8.5
155.08504	2.8
157.13367	16.8
161.13261	4.5
162.44679	2.5
163.11214	22.7
169.13316	8.0
173.09608	6.7
181.12251	5.1
191.10687	10.9
209.11725	12.6
223.13284	20.3
225.30869	3.1
227.12799	5.8
241.14381	41.0
246.12312	7.6
246.81750	2.4
259.20532	3.4
265.14429	10.8
275.19998	3.5
283.15427	17.6
288.17056	10.7
313.27377	100.0
315.18060	39.6
335.00970	2.6
503.37128	7.5
521.38354	49.2
553.40967	44.4
570.45837	2.7
588.41614	16.4
588.47693	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	588.338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	8.2
59.05011	10.7
60.08157	8.6
60.92391	3.7
61.02930	5.8
67.01891	4.5
67.05507	12.5
68.09663	4.9
69.03428	13.2
69.07069	9.3
71.04996	10.8
73.02913	7.7
79.05494	11.1
81.03411	8.9
81.07050	23.8
85.02903	27.1
86.09683	24.7
87.00816	8.8
91.03989	6.2
91.05497	13.4
93.07029	19.7
95.08625	26.0
97.02883	18.4
97.06534	11.5
97.10175	6.0
105.01877	17.5
105.07042	19.8
107.08604	22.9
109.10187	13.8
114.07185	5.1
115.07577	6.1
119.08580	10.6
121.10157	26.7
125.00002	24.7
125.09631	6.1
127.03937	22.0
127.11121	10.6
131.08554	9.3
133.10141	13.2
135.11729	5.2
137.09628	5.3
141.09090	5.6
143.10680	13.4
145.05003	11.8
145.10182	7.0
147.11685	14.1
149.13281	30.1
157.10150	5.7
159.11732	13.8
161.13330	6.3
163.14861	7.2
171.11769	4.9
173.13264	9.0
184.07346	100.0
189.16420	5.8
200.87869	4.8
201.16405	17.8
203.17964	5.8
223.14816	5.4
231.05022	9.2
269.22702	10.9
284.09915	7.6
287.23785	24.3
305.24774	38.1
323.25690	37.6
515.44562	4.2
546.37640	6.0
576.67395	4.9
588.51727	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	588.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09740	4.0
53.03956	6.4
54.43473	4.1
55.01871	8.0
55.05513	14.4
57.03430	10.7
57.07065	6.3
59.04996	8.0
61.02936	4.8
67.05510	32.1
69.03437	22.9
69.07064	35.0
71.04993	19.4
71.48852	9.8
73.02917	9.7
76.41457	3.9
79.05495	28.3
81.03423	24.2
81.07063	69.1
83.08641	11.6
85.02915	56.7
85.06529	14.6
87.00822	24.9
91.03930	6.8
91.05488	22.8
93.07050	56.0
95.04950	4.7
95.08614	100.0
96.04514	14.4
97.02892	24.0
97.06543	15.8
97.10189	7.4
99.04470	12.6
99.08092	9.8
105.01866	13.1
105.07043	39.6
107.08598	97.4
109.02890	23.9
109.10161	79.8
109.16685	3.8
111.08075	12.6
113.09641	6.5
119.08590	53.9
121.10149	42.0
123.11700	22.5
125.09634	39.8
127.03927	25.7
127.11195	24.0
129.07040	5.8
131.08577	16.6
133.10149	25.0
135.11678	23.0
136.72084	4.9
137.06001	5.0
137.09610	22.5
137.13281	9.7
139.11180	34.1
143.08592	6.2
143.10670	11.5
145.04962	17.4
145.10150	22.9
147.11676	27.6
149.13249	22.9
151.11172	10.4
153.12695	4.7
155.99852	4.9
157.10155	9.6
158.50055	4.2
159.02844	5.7
159.11711	48.5
161.13268	31.6
163.11272	8.2
163.14828	66.7
165.12814	7.3
167.14317	6.9
171.11792	11.5
173.13292	28.8
175.14853	18.4
177.12805	5.7
179.14294	6.6
183.89908	4.1
183.91585	4.9
184.07294	5.1
185.13252	6.0
187.14844	15.0
189.16394	12.6
191.14302	7.4
192.86241	4.4
197.15387	6.8
199.14793	10.3
201.16438	27.9
203.17940	10.5
205.15839	6.9
213.16400	19.1
215.17964	16.5
215.39755	5.0
219.17392	5.5
223.16931	25.5
229.19522	11.5
231.05106	7.6
231.17424	9.7
233.18974	5.0
243.21133	12.7
249.18578	7.3
257.22653	6.3
259.24283	5.4
261.22238	4.6
269.22644	71.3
279.23181	9.5
287.23715	73.7
305.24750	81.1
323.25833	51.9
338.57202	5.2
394.05487	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	7.9
55.01865	7.6
55.05509	14.2
57.03436	7.1
57.07061	6.4
59.04989	3.7
61.02904	9.3
65.03922	3.0
67.05504	28.9
69.03425	26.4
69.07071	37.9
69.26564	3.9
69.26969	25.8
71.05007	18.7
71.08629	2.6
73.02905	6.6
79.05499	23.9
81.03416	26.9
81.07054	90.5
83.04975	4.7
83.08611	18.5
85.02909	56.9
85.06523	11.7
87.00839	27.8
91.03934	3.6
91.05473	18.3
93.07043	58.9
95.04940	3.5
95.07999	5.8
95.08607	100.0
97.02875	26.1
97.06518	11.0
97.10150	8.0
98.20671	4.8
99.04436	12.6
99.08071	11.5
105.01836	9.6
105.07033	40.2
107.08598	81.5
109.02888	21.1
109.06494	3.9
109.10152	82.9
111.08063	9.0
113.09643	6.2
117.07016	7.7
119.08578	53.8
121.09338	4.3
121.10146	59.2
123.08079	6.1
123.11717	22.2
125.09637	38.3
127.03912	31.3
127.11207	16.2
129.01869	3.4
129.07043	3.5
131.08548	16.0
133.10132	35.5
135.11690	30.9
136.91028	2.7
137.09631	16.5
137.13242	11.3
139.11192	48.5
140.89102	3.0
143.08563	6.6
143.10657	8.6
145.05014	5.7
145.10146	27.3
147.11664	34.6
149.13266	28.1
151.11180	7.2
151.14851	4.5
153.12727	3.0
157.10146	16.7
159.02870	12.5
159.11708	37.1
161.13239	39.1
163.11154	5.1
163.14836	75.8
165.12733	10.3
167.14314	8.3
171.11710	14.1
173.13217	26.6
175.14897	15.0
177.12782	3.5
177.16341	5.0
179.14299	10.0
185.13229	9.1
186.14069	2.8
187.14819	19.5
189.16431	14.8
191.14235	4.2
193.15898	3.4
197.15347	5.6
197.59491	3.1
199.14804	11.4
201.16432	25.9
203.17970	6.8
205.15869	12.5
207.17365	4.3
213.16383	16.4
215.17950	10.7
217.15836	3.7
219.17392	6.1
223.16875	29.5
227.18008	7.3
229.19487	11.2
231.04959	6.3
231.17381	8.5
233.19026	3.2
243.21057	12.8
245.18777	4.2
247.45757	3.0
249.18530	6.5
257.22617	4.4
259.24374	4.7
261.22302	5.4
269.22629	65.4
271.24258	3.3
275.23633	4.4
279.22989	7.1
287.23691	63.1
305.24734	86.8
323.25821	45.6
405.17230	3.1
451.16873	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	588.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.5
55.01873	8.7
55.05508	15.2
57.03427	6.5
57.07064	4.6
59.05008	20.6
61.02931	3.2
62.09636	2.4
67.05505	37.0
69.03434	19.9
69.07070	38.5
69.23733	10.9
69.24158	13.4
71.04990	13.6
73.02920	9.2
78.68922	2.6
79.05499	24.8
81.03414	17.6
81.07060	91.0
81.07536	5.6
83.04978	5.9
83.08616	13.8
85.02915	46.5
85.06544	7.8
87.00851	17.9
89.06051	7.2
91.05496	21.5
93.07044	50.6
95.04980	3.8
95.08612	65.6
97.02892	16.4
97.06543	15.3
99.04485	8.7
99.08115	5.0
100.52131	2.8
105.01881	8.2
105.07040	44.0
107.08605	100.0
109.02889	18.8
109.06523	7.1
109.10160	79.3
111.08094	8.6
117.07040	6.8
119.08585	47.4
121.06522	3.9
121.10155	53.7
123.08031	5.1
123.11742	15.6
125.06069	3.0
125.09637	33.3
127.03918	22.7
129.06976	3.4
131.08580	20.2
133.10149	28.2
135.08061	4.4
135.11700	24.0
135.13927	2.8
137.09663	7.3
137.13239	3.4
139.11189	47.2
142.07826	4.4
143.08551	9.7
144.09282	5.9
145.04982	12.1
145.10139	30.6
147.11690	26.8
149.09662	5.0
149.13263	24.0
151.11217	4.5
151.14867	4.0
156.09326	4.0
157.10153	21.5
158.10825	4.5
159.02905	9.0
159.11690	46.3
161.13274	30.2
163.11276	3.9
163.14830	83.5
163.16133	5.7
165.12791	2.8
167.14328	7.4
169.10181	4.0
171.11693	16.1
173.13283	17.5
175.14850	13.7
177.12755	3.1
177.16379	5.4
179.14253	6.2
185.13219	13.9
187.14867	26.9
189.16431	7.9
191.14236	4.0
193.15964	3.6
199.14828	11.5
201.16383	16.9
203.17996	9.0
205.15921	17.1
213.16385	25.8
215.17877	4.0
217.19437	6.3
219.17447	6.7
223.16942	66.1
227.17958	7.0
229.19527	13.7
231.04956	5.6
231.17459	19.0
239.18028	3.7
243.21088	8.7
245.19180	2.9
249.18552	9.3
261.22336	3.7
264.14493	3.1
269.22672	71.8
271.24255	5.9
287.23734	53.3
305.24777	60.2
513.62854	3.0
588.94775	2.8
617.83417	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	588.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.1
55.01859	4.8
55.05501	6.2
57.03422	2.8
61.02916	3.5
67.05505	8.8
69.03439	13.5
69.07070	17.7
70.00590	8.4
71.04986	8.0
72.04443	2.3
73.02911	3.8
78.18555	2.6
79.05506	6.9
81.03426	14.4
81.07065	13.6
83.08629	7.2
85.02914	26.4
85.06548	87.4
87.00832	16.1
91.05487	7.4
93.07073	14.0
95.08606	20.0
97.02891	14.4
97.06543	11.5
98.20791	2.5
99.04440	5.3
99.08120	2.8
105.01865	11.5
105.07024	18.2
107.08583	19.5
109.02890	8.4
109.10162	25.6
111.08054	4.7
119.08591	19.6
121.10155	35.3
122.09675	6.5
123.11706	10.0
125.09630	4.3
127.03920	13.6
127.08699	2.7
131.08588	5.7
133.10143	26.7
135.11676	16.8
137.06026	3.4
137.09662	3.2
139.11148	3.7
141.06645	3.0
145.04979	5.5
145.10147	16.6
147.11719	14.9
157.10132	6.7
159.02921	4.3
159.11716	27.4
161.05916	2.7
161.13266	30.1
163.03934	2.9
171.11717	9.6
173.13297	27.3
175.14857	6.5
179.14349	4.5
185.13283	5.9
187.14825	13.0
189.16428	3.1
199.14771	6.2
201.16415	10.2
203.17952	4.8
213.16365	12.8
227.17967	8.4
229.19539	26.4
231.04906	3.4
231.17456	5.3
247.20601	17.2
261.08664	3.2
269.22693	32.5
287.23715	82.1
305.24768	100.0
323.25842	26.4
331.11530	2.4
433.16022	3.1
497.47583	2.3
535.28900	3.1
588.31390	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	588.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05001	13.8
65.27247	11.7
69.03436	27.4
69.17101	33.1
69.17519	100.0
71.91174	11.6
81.03450	15.3
81.07059	19.5
85.02922	25.1
85.06560	23.0
91.05457	23.8
93.07040	13.6
97.02887	17.3
97.06528	38.1
98.20786	22.3
105.07002	18.1
105.36385	11.5
107.08650	18.2
109.02864	14.4
122.09686	23.8
137.05957	16.3
164.07048	13.4
173.13240	14.0
202.75900	15.9
287.23685	28.8
305.24792	28.4
306.16125	14.5
306.93460	13.7
408.19046	27.1
426.20261	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.9
55.01876	5.7
55.05518	5.6
57.03426	3.5
59.04988	4.2
62.83474	3.2
65.85130	2.8
67.05492	10.6
68.49979	2.8
68.99807	3.1
69.03425	13.5
69.07062	10.8
71.04981	8.8
71.49637	4.2
71.50036	3.8
79.05485	13.0
81.03424	17.3
81.07072	23.9
83.08637	5.5
84.75539	3.7
85.02908	35.3
85.06545	100.0
87.00836	12.1
91.05472	11.6
93.07044	16.7
95.04961	3.6
95.08607	17.7
97.02888	14.5
97.06535	12.0
99.04486	8.1
105.01872	8.7
105.07029	24.3
106.06556	4.9
107.08563	21.0
109.02863	13.3
109.10178	18.2
111.08054	4.0
119.08572	33.7
121.10151	17.6
122.09673	13.5
123.11749	7.3
125.09646	4.8
127.03931	16.2
127.11182	5.3
129.07057	4.0
131.08568	10.3
133.10136	16.3
135.04414	3.2
135.11705	9.2
143.08559	5.7
145.04985	7.9
145.10150	20.3
147.11690	13.4
149.13309	6.7
157.10149	10.4
159.02963	3.9
159.11693	40.7
161.13272	36.2
163.03943	5.5
163.14828	4.5
164.07089	5.5
171.11691	7.1
173.13249	12.8
175.14804	13.0
179.14294	7.6
185.13292	4.8
187.14766	5.8
189.16379	6.1
193.15886	7.8
201.16394	44.9
213.04002	3.7
213.16354	5.9
219.17447	45.3
225.63866	3.6
229.19576	11.4
237.18489	12.4
247.20644	6.5
265.31400	3.4
269.22641	21.0
273.72665	3.3
285.79727	4.0
287.23672	32.9
303.23123	3.6
305.24750	24.2
323.25787	31.5
408.19104	4.6
526.24884	6.9
570.23474	4.2
588.25012	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	587.4671
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.8
53.03956	4.5
54.38565	0.8
55.01872	4.0
55.05515	24.0
57.03440	7.2
57.07077	9.8
65.03941	2.9
67.05507	59.3
68.05838	0.9
69.07072	28.4
70.09281	2.4
71.04995	2.3
71.08631	7.1
79.05495	34.5
81.03419	1.4
81.07059	63.9
83.04973	2.9
83.08618	18.5
85.06535	4.1
85.10182	3.3
88.94801	0.8
89.95917	1.0
91.05485	28.7
93.07047	43.6
95.04961	3.2
95.08609	49.2
96.82272	0.8
97.06535	5.1
97.10165	8.2
99.08093	4.1
103.05463	1.3
105.04550	1.5
105.07032	26.7
107.08606	26.0
109.06526	2.4
109.10155	22.0
111.08077	1.8
111.11711	1.7
113.09644	1.6
117.07027	8.7
119.08590	25.6
120.14999	0.9
121.10146	23.9
123.08093	1.9
123.11702	11.4
125.09647	1.6
128.06238	0.8
129.06992	5.1
131.08575	19.4
133.10132	20.6
135.08067	2.1
135.11688	16.4
136.68120	0.7
137.13263	4.1
139.11151	1.1
141.06975	1.1
143.08548	5.3
145.10132	15.2
147.11696	17.0
149.09618	2.2
149.13271	10.5
151.11195	1.9
151.14836	1.5
153.12814	1.2
155.08556	1.5
157.10104	5.0
159.11710	12.6
161.13255	11.3
163.11179	2.4
163.14832	5.6
165.16441	1.4
165.59763	0.8
169.10147	3.4
171.11699	5.3
173.13277	11.8
175.11215	0.9
175.14847	7.2
177.12781	1.7
177.16475	2.7
179.14345	2.0
183.11790	2.6
185.13324	4.8
187.14798	5.3
189.16429	3.5
191.18007	1.8
197.13341	1.4
199.14891	3.5
201.16438	2.3
203.14310	1.0
203.17973	2.4
205.19572	2.8
209.13255	1.0
211.14937	1.2
213.16487	2.2
215.17967	4.6
217.15880	0.8
217.19522	3.6
219.17523	1.8
219.21184	2.6
229.19547	1.7
231.21164	2.0
233.19054	4.9
233.22676	1.6
237.22209	1.3
241.19569	2.4
243.21126	2.0
247.20641	2.7
255.21220	1.1
257.19034	2.3
257.22528	1.2
259.20554	5.0
259.24228	1.3
261.22189	6.6
269.22824	1.2
273.22263	1.1
275.20132	5.4
277.21716	1.8
281.21191	1.1
287.23831	1.3
291.23257	1.2
293.21136	1.0
301.25153	1.0
307.22818	2.6
309.24274	11.4
311.25879	4.9
313.27600	1.4
315.23260	1.1
315.26675	1.3
317.24875	1.9
323.25671	1.5
329.28494	1.1
333.24405	2.1
335.25888	7.5
337.27295	4.0
347.26117	1.1
357.31610	1.8
383.32938	1.1
475.33838	1.1
477.41052	1.7
495.41943	8.9
513.42975	2.8
517.38593	1.0
569.45660	13.7
570.46191	1.1
587.46722	100.0
588.47168	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	587.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47639	1.1
52.21032	0.8
53.03945	3.8
55.01865	4.0
55.05272	1.5
55.05516	21.6
57.03436	6.7
57.07084	9.1
58.52810	0.9
60.09332	0.9
63.59177	1.0
65.03936	2.5
67.05510	55.8
69.03438	1.2
69.07073	26.3
69.54928	2.3
69.55338	4.3
71.04988	1.6
71.08633	5.2
79.05499	33.5
81.03422	1.0
81.07062	53.2
83.04995	2.0
83.08626	17.4
85.06541	3.4
85.10183	2.1
91.05489	23.9
93.07050	37.6
95.04976	2.8
95.08616	45.0
97.06537	3.8
97.10194	7.5
99.08086	3.0
105.07044	26.8
107.04973	1.1
107.08606	26.3
109.06491	1.5
109.10165	22.2
111.08108	3.1
111.11686	2.2
117.07038	7.5
119.08591	24.8
121.10154	23.2
123.08069	1.6
123.11732	7.5
125.09645	1.8
129.07025	4.4
130.08684	1.0
130.65161	1.0
131.08582	13.6
133.10141	18.7
135.11710	16.0
137.09572	1.3
137.13258	4.4
139.11234	1.1
143.08572	5.5
145.10135	13.7
147.11702	14.6
149.09668	2.7
149.13272	10.5
151.11174	1.5
151.14883	2.1
155.08569	2.0
157.10164	4.1
159.11713	11.0
161.13274	8.6
163.11235	3.0
163.14890	5.2
171.11734	4.0
173.13231	7.4
175.14812	5.6
177.16414	2.8
179.14293	1.0
179.18010	1.6
181.10037	1.0
183.11699	2.0
185.13292	3.4
187.14920	5.1
189.16447	3.9
191.18008	1.6
197.13303	1.7
199.14862	1.7
201.16437	2.1
203.14529	1.1
203.17961	2.2
205.19585	1.6
205.83276	0.9
205.88234	1.0
213.16502	2.0
215.18066	3.7
217.19562	2.9
219.17624	1.9
219.21233	1.1
229.19572	1.4
231.21263	1.9
233.19089	2.3
233.22675	1.6
235.20644	1.3
237.22243	2.0
241.19592	2.5
243.21132	1.5
247.20622	1.4
259.20639	4.2
261.22186	7.9
273.22433	1.3
275.20181	4.0
275.23758	1.9
277.21738	2.1
287.23715	1.3
301.25391	1.1
307.22659	1.4
309.24243	7.9
311.25854	3.5
315.23355	1.7
317.24844	2.4
321.24173	1.3
323.25888	1.1
329.28348	1.2
333.24283	2.2
335.25873	6.3
337.27438	3.7
353.27176	1.0
357.31924	1.4
375.29190	1.2
385.30673	1.1
445.32535	1.2
477.35333	1.5
477.41455	1.4
495.42120	8.5
513.43066	2.4
517.38959	1.6
569.37646	1.6
569.45740	14.0
587.46747	100.0
588.47534	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.4531
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	2.7
57.03468	0.4
57.07081	33.6
59.05010	3.4
67.05518	1.3
69.07082	2.6
70.26861	1.0
70.27249	0.9
71.05002	0.5
71.08638	24.1
73.02921	0.9
73.06181	0.7
73.06564	8.0
79.05512	1.4
81.07059	1.8
83.08624	2.6
85.10190	19.8
87.04475	6.6
89.06040	100.0
91.05488	1.4
91.07600	1.4
93.07053	1.7
95.04971	0.8
95.08618	1.0
97.10189	3.4
99.11750	4.4
103.03974	1.5
105.07026	3.2
107.04939	0.5
107.07094	1.4
107.08618	1.5
109.06572	0.5
109.10175	1.4
111.11733	0.8
113.13306	1.1
117.09159	7.0
119.08635	1.4
121.10180	1.1
130.08678	1.8
131.07066	2.3
131.08594	0.8
133.08617	49.5
133.10225	1.9
135.10155	1.0
135.11725	1.1
137.09586	0.5
145.10144	1.1
155.17944	4.2
156.09309	0.5
157.10158	0.8
159.11726	0.8
161.11740	1.0
161.13126	0.5
175.09691	0.9
177.11243	19.5
199.20581	3.1
221.13803	4.1
239.15044	1.0
240.23315	0.7
243.23218	6.6
265.16653	0.9
283.17557	1.4
287.25848	4.0
327.20215	1.0
371.22723	0.9
415.25412	2.7
481.37500	0.6
532.89990	0.5
569.42688	4.4
586.45209	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	33.7
54.42480	3.9
55.01878	10.8
55.05507	9.0
59.55282	3.8
61.02918	7.6
67.05504	18.3
69.03436	39.0
69.07069	14.3
69.24954	30.4
69.25371	8.8
71.04985	26.8
72.08133	5.4
73.02927	8.3
77.03939	5.9
79.05508	18.7
79.05888	4.0
81.03421	36.1
81.07052	41.6
83.08601	5.5
85.02913	60.3
85.06544	18.2
87.00838	27.6
91.04012	5.6
91.05489	18.2
93.07048	35.0
95.04972	18.2
95.08611	91.6
97.02901	21.0
97.06535	18.9
99.04446	11.1
99.08082	11.3
102.09188	6.9
104.05016	9.2
105.01842	14.5
105.04513	10.8
105.07037	29.4
107.08600	43.0
109.02893	33.3
109.06552	5.5
109.10189	38.5
111.08057	11.4
113.09629	9.4
117.01832	6.1
117.07038	6.1
119.08578	45.2
121.10147	30.4
123.08080	17.3
123.11705	7.6
124.25869	4.1
125.09673	12.2
127.03921	39.5
127.11194	33.0
131.08574	20.7
133.10114	25.8
135.08026	5.6
135.11714	17.3
137.09637	30.8
141.09099	5.3
142.07794	8.2
143.08594	14.1
143.10652	4.5
145.04951	10.7
145.10147	39.6
147.11714	28.3
148.03938	100.0
149.04285	37.8
149.09645	4.7
149.13269	7.9
150.43587	3.7
151.14787	6.6
156.09438	5.5
157.10124	34.8
159.02899	10.2
159.11711	44.6
161.13246	29.4
163.11214	7.1
163.14821	9.3
165.12790	13.2
169.10133	7.2
171.11673	20.0
173.13272	31.8
175.14828	21.1
176.10678	4.8
177.12834	5.5
179.14348	15.9
183.11749	6.8
183.13776	6.5
184.12495	5.6
185.13252	12.1
187.14859	18.5
189.12750	4.2
189.16457	6.2
191.09485	4.4
191.14351	8.1
197.13252	6.5
199.14833	38.7
201.12653	4.0
201.16411	12.2
203.14297	4.8
205.15884	14.2
211.14818	13.4
213.16449	12.2
215.14359	4.3
215.17967	15.2
217.15874	52.7
221.15485	4.1
225.16452	7.9
227.17924	5.1
229.15866	6.8
231.05107	7.6
231.17502	7.4
233.19150	5.1
235.16977	13.8
241.19562	6.7
243.17589	5.1
243.21141	8.8
245.19226	4.3
257.22760	4.9
259.20694	9.1
261.22183	4.7
266.09625	17.7
267.09958	11.7
267.21017	22.4
273.22067	5.3
285.22165	72.3
303.23196	65.8
321.24277	68.8
330.18570	4.2
339.25366	19.4
401.24103	3.9
482.22070	4.5
543.21881	6.9
587.20898	41.8
591.50372	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	586.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.6
54.84135	0.3
55.01870	1.7
55.05527	0.5
57.03443	1.3
61.02932	1.3
67.05501	0.7
68.99806	0.8
69.03427	7.2
69.07075	1.0
71.04989	2.1
71.30381	0.8
73.02921	1.2
79.05500	0.6
81.03416	4.7
81.07049	1.3
85.02907	14.9
85.06544	100.0
87.00828	6.6
91.03958	0.6
91.05478	1.4
93.07041	1.6
95.08601	1.0
97.02892	4.8
97.06544	0.7
99.04446	2.6
105.01873	3.8
105.07043	3.7
107.08610	2.1
109.02882	5.5
109.10138	0.8
115.05492	0.4
117.01834	1.0
117.06998	2.1
119.08586	3.8
121.10143	1.6
127.03922	9.3
129.01851	0.6
129.07007	0.8
131.08569	4.4
133.10126	9.2
135.11633	0.8
137.09558	0.4
142.07820	1.0
142.99582	0.4
143.08537	2.7
144.09361	2.8
145.04974	2.1
145.10133	1.6
147.11707	2.6
157.10126	7.2
157.11346	0.6
159.02856	2.4
159.11693	89.2
160.11958	0.7
161.09648	1.4
161.13196	0.7
165.12747	0.7
171.11696	2.6
172.15097	0.4
173.13232	2.8
175.11197	0.9
175.14842	1.5
177.12756	3.4
184.12454	0.4
185.13297	0.4
185.23824	0.4
187.14848	1.0
189.03867	0.5
191.14459	0.5
194.24408	0.5
197.13196	0.5
199.14822	12.4
213.03935	1.0
215.17952	0.5
217.15874	80.9
218.16344	0.6
227.17998	0.6
231.04947	1.7
235.16924	11.8
245.19002	1.5
267.21100	0.5
270.52618	0.4
285.14075	0.4
285.22171	3.3
297.34781	0.4
303.19650	0.7
303.23154	11.3
321.24240	23.6
411.25388	0.6
447.19977	0.5
515.26434	0.7
533.26715	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	10.3
55.01859	6.6
55.05521	9.3
57.03429	4.9
57.07086	4.1
59.04990	3.6
61.02912	7.3
61.89967	1.8
67.05505	14.0
68.99789	3.4
69.03434	30.4
69.07068	19.3
70.50871	5.1
71.04998	24.1
73.02898	5.5
73.80863	1.7
77.01651	1.6
79.05495	8.9
81.03417	25.0
81.07064	25.1
83.04964	4.7
83.08607	7.7
85.02912	59.6
87.00829	28.5
87.04436	1.9
89.02419	2.1
91.05470	11.8
93.07054	21.4
95.04963	4.0
95.08063	3.0
95.08612	35.0
96.04498	17.8
97.02892	24.5
97.06532	25.1
97.10181	4.0
99.04465	27.0
99.08088	3.3
102.92081	1.6
105.01876	17.3
105.07050	18.6
107.08605	27.7
109.02891	23.7
109.06527	9.1
109.10163	44.2
111.08073	6.5
111.11686	2.4
115.03957	2.2
117.01841	3.1
117.07035	2.9
119.08597	22.7
121.06486	3.0
121.10134	14.4
123.08094	14.5
123.11691	9.4
125.09624	3.4
127.03918	36.9
127.11192	3.6
129.01828	2.7
131.03416	3.3
131.08563	4.4
133.10143	12.7
135.08029	5.1
135.11708	18.0
136.07549	5.2
137.09567	6.0
137.13231	4.9
139.07541	34.1
143.08546	6.2
145.04977	17.0
145.10130	12.4
147.02831	2.7
147.04405	2.0
147.11697	12.4
149.09590	2.8
149.13292	16.5
151.11192	3.8
151.14815	2.5
153.09079	6.2
157.10143	6.3
159.02908	9.5
159.11707	15.3
161.13278	10.4
163.11156	5.0
163.14751	4.6
165.09135	2.4
165.12732	2.2
165.16373	6.3
167.10721	1.9
167.14276	2.7
169.10109	3.4
171.11652	5.9
173.13272	11.2
175.11191	4.5
175.14856	10.3
177.12755	17.0
179.14296	1.7
181.12277	3.8
183.11674	2.4
185.05101	1.9
185.13274	4.0
187.11143	2.7
187.14838	4.9
189.12726	4.3
189.16341	3.4
191.14240	2.2
193.12184	2.2
193.15869	7.4
195.13713	2.5
199.14742	2.8
201.12752	2.4
201.16422	3.5
203.14417	3.2
205.19412	4.0
207.13757	2.2
211.14830	5.3
213.16431	2.5
215.14279	6.7
217.15883	4.0
221.15283	3.1
225.16382	1.8
227.17999	2.3
227.44238	1.9
229.15860	14.1
231.05013	8.8
237.14821	21.1
243.21072	5.0
247.16888	5.0
257.22760	2.8
259.20511	3.4
265.18051	4.5
267.21017	7.1
273.22192	4.1
277.21808	3.3
285.22144	38.6
293.53656	2.2
303.20102	2.5
303.23230	26.6
321.24268	100.0
338.13907	10.5
429.25876	2.6
586.26959	2.6
594.07642	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43002	16.5
52.22677	18.2
53.23650	18.2
58.88977	20.4
59.66315	17.8
67.05499	28.8
69.03442	42.6
69.07058	29.3
69.25041	100.0
69.25468	85.0
73.02890	23.9
75.98583	24.7
79.05479	23.3
81.03412	35.7
81.07064	47.8
81.90288	17.5
85.02888	70.9
91.05481	41.9
93.07024	41.2
95.04970	19.3
95.08578	23.6
97.06532	66.5
98.20800	39.6
100.41901	16.3
105.01878	19.2
105.07030	37.9
106.06544	19.5
109.02853	23.1
109.10210	20.2
117.07018	26.2
118.03242	62.9
119.08571	57.4
127.03893	31.3
137.05963	87.0
157.06070	43.8
157.10161	45.2
159.11696	28.7
163.03926	19.7
169.44875	18.3
173.13251	21.9
201.09158	34.7
203.10629	77.9
233.11778	71.6
250.14406	76.8
266.09460	33.2
267.21033	40.2
267.68118	23.7
285.22110	28.5
302.21249	20.3
372.46970	19.9
397.78152	19.9
586.36041	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.4
55.01867	1.2
55.02993	1.1
55.05512	1.6
56.05036	0.9
57.03440	0.8
58.06602	1.0
59.99115	0.8
69.00929	0.9
69.03429	3.0
69.07064	0.8
70.06592	0.7
71.04983	0.7
71.09958	0.8
72.08157	1.2
73.02914	0.9
75.98593	35.6
79.05484	0.6
81.02983	0.6
81.03419	4.8
81.07050	0.6
84.08156	0.7
85.02914	7.8
86.09719	0.6
87.00383	0.4
87.00843	3.4
88.07603	0.7
91.03974	0.6
91.05486	1.0
93.07065	0.6
95.08587	0.7
97.02885	3.7
97.06582	1.0
97.07674	0.9
99.04457	2.0
102.09201	1.3
105.01212	7.7
105.01879	2.3
106.06570	5.2
107.08585	0.6
109.02878	3.6
114.88344	0.5
115.08698	1.5
116.07144	0.5
116.10715	0.4
117.01849	1.2
118.03242	100.0
118.99145	2.0
119.06079	0.8
123.02324	0.6
126.64219	0.5
127.03911	6.4
127.08684	2.3
129.01823	0.5
134.06108	0.5
137.05939	1.1
141.06560	0.8
145.05019	2.6
147.02948	0.6
147.05867	7.8
157.13368	5.7
159.02939	2.6
161.03831	1.5
161.05940	0.7
162.06659	0.7
163.03900	0.5
164.07034	0.9
169.13402	0.7
189.10587	1.0
191.04878	0.8
201.09125	0.8
203.10684	0.9
206.03728	0.5
216.11327	1.8
224.04897	4.8
231.05025	1.2
233.09566	1.3
233.11711	0.7
237.18050	0.5
250.14363	1.4
254.46190	0.5
266.09592	70.5
267.09946	0.8
276.17111	2.1
288.17084	2.3
303.23093	0.7
333.12814	1.2
350.14499	0.6
376.10010	0.6
471.84204	0.6
481.14700	0.6
576.67053	0.5
585.40137	0.9
585.90149	5.8
586.21155	1.1
586.40277	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	586.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	0.9
51.02376	2.5
53.03950	15.5
55.01860	1.5
57.03437	0.5
58.06607	0.5
59.99110	0.5
60.08139	1.4
69.03429	2.9
70.64128	1.4
72.08158	8.0
73.02903	1.0
73.06564	0.5
77.03927	3.6
81.03425	5.0
81.85695	0.4
84.08125	0.5
85.02518	0.4
85.02915	4.5
85.07649	0.8
86.09694	1.6
87.00819	1.9
88.59998	0.4
90.09201	5.5
95.04379	0.9
95.04971	14.9
96.31725	0.5
97.02884	2.0
99.04459	1.1
102.09187	5.6
104.04995	6.3
105.01851	1.2
105.04516	8.5
106.06570	1.2
109.02885	3.5
119.06428	2.3
127.03912	3.7
131.06416	3.5
136.03908	2.0
137.06035	0.6
145.05014	0.7
148.03937	100.0
149.04239	0.6
157.13350	0.8
159.02858	1.0
173.11128	0.6
187.05962	0.9
191.12137	3.4
196.43378	0.4
214.12387	0.4
231.05144	1.0
266.09610	17.1
266.12506	0.9
274.07065	0.5
306.15643	2.6
338.15405	2.4
350.14529	7.4
441.18033	0.5
485.17511	2.9
542.21722	6.5
586.20685	30.8
587.21179	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	10.9
55.01875	12.4
55.05502	3.6
57.03440	6.3
59.99107	3.8
61.02934	7.5
62.99267	1.0
68.99778	5.0
69.03431	34.2
71.05003	7.1
71.48614	2.3
72.08149	4.1
73.02912	9.2
73.06546	5.2
81.03415	39.4
85.02908	99.0
86.06050	4.6
87.00827	34.0
91.03947	2.4
94.04189	2.3
95.04978	3.1
97.02300	2.3
97.02893	33.2
97.06518	1.5
97.42223	1.3
99.00819	1.4
99.04455	21.1
102.00110	3.6
102.09164	1.3
105.01868	40.1
105.04487	1.8
109.02883	44.9
117.01839	4.6
119.08569	1.8
122.06030	61.8
127.03918	100.0
129.01828	5.9
132.04794	33.3
132.95859	2.5
137.05884	1.5
145.04987	58.4
147.02913	4.8
148.03934	16.9
150.05515	3.5
157.13434	3.3
159.02899	31.4
164.07257	1.5
164.26616	1.2
174.96924	5.6
175.05391	2.1
177.03992	1.4
189.03986	2.1
207.11295	3.0
213.03918	5.2
217.10092	7.3
224.04848	1.8
231.05011	46.5
249.06113	10.7
266.09647	4.3
296.10526	2.2
308.04233	2.4
320.13492	2.2
339.65570	1.4
346.31409	1.4
380.10077	13.9
458.79037	1.8
465.15399	21.5
542.21155	2.2
586.21002	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	585.451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.2
55.01859	1.4
55.05512	16.8
57.03441	6.3
57.07063	3.5
67.05503	44.3
69.07068	15.9
71.04989	1.3
79.05492	33.2
81.07057	51.4
83.08624	10.0
85.06543	1.9
87.40955	1.1
91.05482	25.9
93.07043	36.2
95.04957	2.2
95.08608	40.1
97.06548	5.1
97.10169	3.9
99.08105	3.4
103.32220	1.0
105.04604	1.7
105.07030	26.8
107.08591	24.1
109.06513	2.0
109.10156	20.2
111.08061	1.5
116.36783	1.3
117.07004	8.8
119.08577	21.4
121.10146	18.3
123.08095	1.4
123.11732	8.7
125.09646	1.2
128.06245	1.6
129.07048	5.9
131.08569	17.6
133.10129	20.8
135.11684	13.8
137.09624	1.3
137.13246	2.2
141.07007	1.6
142.07944	1.2
143.08568	8.7
145.10121	18.0
147.11681	16.6
149.09627	1.8
149.13234	9.0
151.11208	1.3
151.14836	1.1
155.08519	1.6
157.10127	6.9
159.11696	17.3
161.13260	8.3
163.14854	4.0
169.10161	3.7
171.11678	7.7
173.13231	11.9
175.11130	1.1
175.14767	5.6
177.12875	1.1
177.16411	2.4
179.14206	1.3
181.10126	1.3
183.11668	3.6
185.13234	6.6
187.14827	6.6
189.16463	4.0
191.17863	1.6
197.13307	2.3
199.14851	3.4
201.16437	4.3
203.17990	4.0
205.15915	1.1
205.19566	1.6
206.76294	0.9
209.13358	1.4
211.14946	1.3
213.16525	5.3
215.18048	5.9
217.19498	2.6
223.14874	1.5
225.16451	1.4
227.18059	2.2
229.40402	1.0
231.17502	4.2
233.19037	4.4
237.22090	1.1
241.19759	2.4
243.17392	1.3
243.21176	2.6
259.20599	3.9
261.22144	4.9
263.23730	1.4
273.22495	1.6
299.23758	1.3
307.22632	6.9
309.24118	5.1
327.26978	2.3
333.24362	4.7
335.25821	7.2
337.27377	3.6
423.32446	1.2
475.33707	1.5
475.39661	1.2
489.35812	1.6
493.40442	8.0
511.41418	3.3
567.44116	13.1
585.45117	100.0
586.45447	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	585.4513
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02352	0.9
53.03933	2.2
53.83151	0.6
55.01868	1.4
55.05510	18.9
56.00050	0.6
57.03204	0.7
57.03443	7.9
57.07077	4.8
57.61580	0.7
59.05008	1.5
67.05506	55.8
67.43932	0.7
69.07069	18.8
70.11102	1.2
70.11510	2.4
71.04977	2.5
71.08624	2.4
74.21700	0.7
78.04653	0.6
79.05493	37.8
79.08850	0.7
81.03415	1.2
81.07056	59.0
83.04987	2.5
83.08616	13.0
85.06539	2.2
89.06036	1.8
91.04906	1.5
91.05477	30.7
93.07043	42.4
95.04957	2.8
95.08607	49.2
96.08916	0.7
97.06542	4.7
97.10161	6.3
98.21507	0.8
99.08080	2.9
103.05462	1.2
105.04484	1.1
105.07030	30.4
107.04961	1.0
107.08592	27.6
109.06495	2.0
109.10159	26.7
111.08064	2.1
111.11725	1.2
115.05462	2.1
117.07018	12.3
119.08578	27.9
121.10141	24.1
123.08064	1.8
123.11713	9.9
125.09630	1.7
127.07568	0.8
128.06213	1.6
129.07008	6.8
130.07787	1.5
131.08568	22.7
131.77917	0.8
133.10135	26.6
135.08070	0.8
135.11693	18.4
137.09641	1.7
137.13292	3.8
139.11162	1.1
141.07014	1.8
143.08571	9.2
144.09302	0.8
145.10127	21.7
147.11700	16.4
149.09656	1.7
149.13258	9.9
151.14825	2.4
155.07361	0.6
155.08557	2.8
156.09396	0.8
157.10135	8.6
159.11690	17.9
161.13243	9.5
163.11214	1.9
163.14848	5.1
167.08560	0.9
169.10144	4.5
171.11690	11.1
173.13254	13.9
175.11214	1.3
175.14815	5.5
177.12770	1.0
177.16406	2.0
179.14348	1.9
179.17973	0.9
181.10165	2.0
183.11729	4.6
185.13272	8.0
187.11241	0.8
187.14815	8.3
189.12782	0.7
189.16338	3.6
191.14326	1.4
191.17999	1.7
193.31458	0.8
195.11743	1.3
197.13240	4.2
199.14822	6.0
201.16339	5.1
203.17969	2.6
205.19536	0.9
209.13280	1.3
211.14830	2.3
213.16426	7.1
215.17960	7.2
217.19540	2.4
223.14819	1.4
225.16447	2.0
227.18211	1.6
229.19676	1.9
231.17429	5.9
233.19043	5.2
239.17966	1.7
241.19557	2.6
243.21117	2.0
245.19009	1.3
247.20630	1.1
253.17764	0.9
257.19064	1.1
259.20612	5.3
261.22086	6.2
267.21063	1.2
269.19028	1.0
271.20599	1.4
273.22049	1.7
275.19980	0.8
277.21512	1.4
285.22211	2.1
287.23669	1.5
299.23749	1.7
301.25085	1.0
303.23267	0.9
305.21271	1.6
307.22653	7.2
309.24216	4.2
313.25281	1.0
317.24911	1.8
327.26855	1.1
333.24390	2.8
335.25858	7.6
337.27277	3.7
339.26971	0.9
341.28702	1.1
343.26260	0.9
355.29733	1.6
395.33127	1.0
423.33105	0.8
447.31497	0.8
461.32651	1.5
475.33734	1.4
475.39453	1.9
489.36368	1.3
493.40536	8.0
503.37430	0.8
511.41516	3.8
515.37445	2.0
567.44000	12.7
567.52228	1.0
585.45142	100.0
586.45715	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.1
55.05506	18.4
57.03439	4.2
57.07067	9.5
67.05507	86.8
69.07072	17.3
69.16817	24.4
71.05011	4.4
71.08632	3.9
79.05493	46.3
79.56232	2.2
81.07059	98.4
81.27506	2.5
82.07371	4.0
83.08616	21.4
89.06024	14.7
91.05488	31.2
92.05806	4.2
93.07040	54.2
94.07394	3.4
95.04963	6.0
95.08611	88.4
96.08947	3.6
97.06533	17.2
97.10166	7.9
99.08109	4.2
105.07039	30.1
106.07371	3.3
107.08595	33.7
109.10152	35.0
111.08055	14.7
117.07030	6.4
119.08589	32.0
121.10145	53.1
122.10480	2.6
123.08067	4.0
123.11711	16.2
125.09585	3.6
129.07028	6.9
131.08592	16.4
132.08939	3.2
133.08604	9.6
133.09178	2.6
133.10135	36.3
134.10527	5.9
135.08170	2.4
135.11707	35.0
137.09671	4.3
137.13245	3.2
139.11168	2.5
143.08539	11.7
145.10120	19.0
147.11665	12.0
148.12083	2.8
149.09563	2.9
149.13271	15.0
151.11180	4.1
155.08522	3.4
157.10117	7.1
158.10529	3.4
159.11713	14.3
160.11990	3.3
161.13275	5.7
163.14822	8.5
169.10146	6.1
171.11697	7.0
173.13284	10.0
175.14824	3.7
177.11182	4.0
183.11678	4.9
185.13145	5.1
187.14893	5.6
196.12286	2.5
197.13042	3.0
199.14848	2.7
209.13304	3.0
211.14850	2.5
213.16492	4.5
215.17993	21.5
217.80042	2.6
233.19078	8.4
235.20599	4.5
242.19821	3.1
243.21124	2.9
251.20058	100.0
260.20932	3.7
261.22202	3.9
263.17944	2.9
263.23642	23.9
269.21033	23.3
279.23132	20.4
281.24817	4.2
297.24142	3.3
307.22742	5.2
352.65845	2.8
492.35284	3.2
512.93634	2.5
566.42554	3.5
584.43866	48.2
584.54486	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	584.4888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	7.3
55.05507	23.0
57.07073	26.1
59.04981	7.9
67.05508	46.2
68.05832	7.6
69.07072	10.7
70.15155	24.6
71.08635	17.3
77.03927	7.4
78.32523	5.5
79.05485	34.9
81.07059	52.2
83.08608	15.7
89.06023	18.2
91.05482	42.9
93.07044	43.0
95.08628	41.3
96.08934	7.3
97.06522	8.1
97.10151	8.6
105.07030	48.2
106.07370	8.4
107.08608	26.2
109.10167	22.8
111.08043	5.9
117.07011	8.7
119.08582	38.2
120.08886	8.2
121.10158	41.3
122.10448	8.8
123.08043	7.2
123.11696	10.7
131.08571	19.4
133.08604	21.3
133.10075	31.9
135.11697	27.8
136.12030	6.9
137.09613	8.0
139.65146	6.5
143.08572	8.4
145.10156	19.4
147.08105	7.6
147.11697	11.0
149.09583	6.1
149.13283	7.6
156.09302	7.2
157.10115	21.8
159.11705	20.8
165.09091	10.4
169.10104	9.4
171.11679	18.0
173.13257	15.6
182.10658	8.1
183.11633	7.6
187.14745	7.3
195.11765	8.7
210.13484	8.4
215.17943	12.5
221.15279	14.3
222.15776	9.4
235.20604	17.7
251.17606	12.0
251.20055	100.0
260.21088	8.1
269.21112	37.3
308.23117	8.7
410.60934	6.3
492.39313	6.4
566.42169	8.0
584.42767	64.9
584.55933	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	584.4884
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19305	3.7
53.03937	10.4
55.05499	16.5
57.07074	13.2
59.04984	8.5
60.83955	3.8
65.03950	3.6
67.05505	28.6
67.94412	3.8
68.23988	3.7
69.03434	4.5
69.07065	22.2
70.14997	10.6
71.08616	4.2
79.05493	34.6
80.05813	4.6
81.07056	37.2
82.07391	7.2
83.04948	7.7
83.08628	6.7
85.06525	11.6
89.06030	6.4
91.05473	37.9
92.05824	10.0
93.07040	58.5
93.32489	3.4
94.07393	13.8
95.04954	8.7
95.08594	42.9
96.05336	4.0
96.08905	4.9
97.06517	6.6
105.07029	66.6
106.07367	16.4
107.08595	43.7
107.97556	3.8
108.08907	7.5
109.06516	8.6
109.10167	17.0
110.10529	3.9
111.08063	7.3
115.05380	5.0
117.06998	12.9
118.07284	4.2
119.08576	82.3
119.21830	3.7
120.08890	20.8
121.10135	49.8
122.10465	14.3
123.08072	13.3
124.08427	3.7
126.06406	3.8
128.06247	13.0
129.07060	18.6
130.07416	6.3
131.08597	31.2
132.08925	7.6
132.36003	3.5
133.08553	5.6
133.10127	40.7
134.10451	8.8
135.08058	7.9
135.11705	23.0
136.12032	5.1
137.09631	10.3
141.06955	7.2
142.07719	15.4
143.08609	32.9
144.09064	11.9
145.10139	46.3
146.10463	14.2
147.08064	17.1
147.11734	19.9
148.12057	6.0
151.07545	15.5
152.07964	4.5
153.06978	4.0
155.08534	14.3
156.09283	8.1
157.10133	50.9
158.10475	22.3
159.07933	4.7
159.11713	23.3
160.12030	8.4
160.85013	3.6
161.13327	3.8
163.11194	4.7
165.07001	6.0
165.09142	38.5
166.09499	9.7
167.08484	7.7
167.10638	7.3
168.09206	6.4
169.10161	22.9
170.10693	8.6
171.11722	26.7
172.12088	13.4
173.13252	12.8
174.13681	7.5
175.14812	5.5
179.08588	12.9
180.09140	8.8
181.10001	12.6
182.10735	14.9
183.11655	24.9
184.12134	13.6
185.13220	16.4
186.13617	8.3
187.14897	4.7
189.12717	4.6
193.10138	8.8
194.10687	12.3
195.11618	19.9
196.12146	11.9
197.13219	17.4
198.13625	12.0
199.14824	13.1
200.15137	4.2
203.14343	13.3
204.14629	9.0
206.10728	7.0
207.11627	17.5
207.13754	5.1
208.12183	11.6
209.13239	22.1
210.13609	16.6
212.15207	6.3
215.17952	7.0
217.09904	4.9
217.15813	9.3
218.10628	3.9
219.11568	6.2
220.12260	9.0
221.13240	16.4
221.15372	53.3
222.13734	6.9
222.15715	30.0
223.14719	11.1
224.15277	10.9
231.11557	5.4
232.12196	8.5
233.13136	7.9
234.13815	9.2
235.14784	13.8
235.20554	7.8
237.16280	7.3
239.17862	6.3
245.13139	6.7
246.13867	6.1
247.14647	5.9
248.15138	6.3
249.16359	6.2
250.16847	11.3
251.17877	7.6
251.20084	35.6
258.19302	6.9
259.14801	4.9
260.15253	6.2
261.16119	5.4
262.16650	5.4
266.19891	6.7
269.21078	10.9
274.16830	4.5
275.17715	5.3
276.18405	8.3
283.20547	8.2
284.21011	9.5
285.16342	4.3
290.19720	5.6
329.22360	4.7
332.24731	4.3
348.23712	5.9
349.25153	4.4
350.25467	8.0
362.25687	4.3
376.26993	7.9
492.35446	6.0
510.34528	5.0
548.39392	6.9
566.40588	26.0
584.41748	100.0
611.47815	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	584.4888
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17761	1.8
53.03942	4.9
55.05510	13.8
57.03425	3.1
57.07062	8.3
59.04991	2.2
63.94823	1.8
65.03958	2.0
67.05508	55.4
68.05832	2.0
69.07068	12.7
70.06596	4.0
71.05007	2.7
71.08628	6.9
79.05491	25.8
80.19514	1.8
81.07056	58.5
83.04974	2.8
83.08617	18.6
85.06544	4.5
85.10186	3.3
87.04471	6.5
88.07626	1.7
89.06031	100.0
91.05475	22.2
93.07043	36.1
93.07630	2.0
95.04987	4.2
95.08608	60.1
97.06513	8.6
97.10130	2.8
98.21552	4.1
99.08125	3.1
102.09209	2.0
105.07035	22.4
106.07403	3.4
107.08585	21.8
109.06490	4.0
109.10151	24.6
111.08105	8.7
115.05487	2.0
117.07024	6.0
117.09164	2.2
119.08578	20.8
120.08934	2.4
121.10149	33.0
123.08101	3.6
123.11663	9.0
128.06219	2.5
129.06990	5.1
130.08665	2.5
131.07065	2.7
131.08617	9.4
132.10201	2.1
133.08606	69.0
133.10118	21.5
135.08112	1.9
135.11696	25.8
136.00786	1.8
137.09593	5.1
137.13206	2.9
139.11142	1.9
143.08577	6.2
145.10143	12.7
146.11736	2.1
147.11685	11.3
149.09622	2.9
149.13266	12.0
151.11160	3.1
155.08517	2.5
157.10104	6.5
159.11674	6.2
161.13289	5.8
163.11208	2.3
163.14822	2.9
165.09099	2.9
167.10680	4.6
169.10115	4.5
171.11665	7.3
173.13277	6.7
175.14818	4.3
177.11235	29.0
181.10109	2.3
183.11694	3.6
185.13228	4.9
187.14868	5.3
196.12149	2.1
197.13167	3.5
199.14902	3.0
209.13240	5.2
215.17949	11.6
221.13556	4.4
221.15451	5.1
231.19902	1.9
233.19008	7.2
235.20546	2.2
251.20064	69.7
256.26352	4.1
263.23672	14.0
269.21219	14.3
279.23218	15.1
281.24777	4.2
283.17618	3.6
283.26334	5.0
297.24353	2.8
300.29041	9.7
311.20386	2.1
311.29373	16.3
324.87119	2.3
327.20343	4.5
371.22766	33.4
452.75818	1.9
566.40387	2.2
583.25708	2.1
584.42938	15.1
584.56085	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	584.4215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	8.5
55.05489	13.2
57.03444	7.8
57.07077	29.6
59.04993	27.6
60.90139	4.4
67.05521	31.4
69.03445	5.7
69.07076	22.3
69.46240	4.3
70.06562	7.4
71.05017	5.2
71.08633	13.9
71.49782	6.3
78.46149	4.9
79.05490	33.3
81.07056	36.2
83.04996	8.1
83.08601	13.8
85.06539	6.8
85.10165	11.0
87.04437	7.8
89.06030	91.8
91.05492	42.9
93.07047	53.2
95.04955	11.4
95.08598	40.5
96.08932	6.2
97.06496	14.3
103.05451	5.1
105.07039	79.4
106.07292	5.3
107.08604	44.3
109.06518	14.3
109.10164	28.1
110.10544	4.4
111.08059	4.8
115.05466	5.1
117.07002	20.9
117.09109	5.2
119.08574	100.0
120.08873	7.3
121.06538	6.9
121.10144	45.1
121.34921	4.7
122.10440	7.4
123.08067	19.2
123.11683	10.3
128.06198	10.4
129.06982	19.0
130.07802	5.4
131.08560	40.6
132.09181	5.4
133.08633	41.0
133.10141	47.8
134.10463	6.7
135.08023	8.9
135.11685	14.3
137.09624	11.3
139.88655	5.0
141.06949	6.6
142.07745	13.9
143.08589	41.6
144.09219	9.5
145.06433	14.3
145.10141	69.3
145.12196	11.0
146.10480	9.7
147.08044	22.6
147.11693	16.8
148.11992	6.3
149.09596	5.4
151.07524	11.0
155.08543	17.2
156.09300	14.5
157.10136	60.7
158.10735	11.3
159.08037	6.1
159.11713	47.9
160.08839	49.0
160.12193	5.3
161.09608	10.2
161.13214	10.0
163.11171	11.6
165.09108	33.0
167.08577	12.9
169.10204	26.9
170.10783	7.8
171.11693	30.1
172.12321	10.3
173.09605	9.2
173.13258	19.0
175.11171	13.7
175.14818	9.9
176.15178	6.5
177.09152	5.0
177.11198	9.8
179.08498	7.7
180.09177	9.3
181.10057	11.0
181.12247	7.6
182.10876	9.4
183.11676	20.3
184.12172	8.6
185.13219	13.9
187.14810	9.1
189.12677	9.3
190.13506	6.4
191.14255	5.8
193.10162	10.3
194.10834	9.8
195.11731	26.8
195.13411	5.0
196.12343	5.8
197.13222	29.3
198.13680	8.3
199.14716	6.6
201.16237	5.0
203.14375	12.5
203.16328	8.8
207.11649	12.8
207.13783	14.9
208.12379	10.0
209.13313	26.3
210.13817	8.1
211.14862	16.9
213.16409	6.7
214.13007	5.6
220.12332	5.4
221.13419	11.1
221.15358	49.9
222.15642	5.1
223.14786	16.1
225.12727	6.1
225.16371	5.6
233.13272	5.9
234.16081	5.8
235.14929	7.6
237.16353	11.6
247.16985	7.9
249.16251	5.5
253.15826	6.2
256.26321	6.9
274.19336	7.2
282.19031	5.2
283.20361	8.1
283.26404	8.2
286.19260	14.6
300.20499	5.3
300.29016	10.4
311.29358	25.0
312.20691	9.6
325.21561	11.8
352.24033	48.2
365.24628	7.7
371.22800	12.8
404.30716	6.2
412.29675	14.6
434.06207	5.4
438.31149	14.6
446.31256	5.1
491.35071	17.9
492.35516	40.1
504.36008	53.8
529.25220	6.0
560.92896	6.5
566.40906	6.7
578.15991	4.8
584.41943	88.7
584.55853	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	584.4217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.8
55.01868	2.6
55.05315	2.0
55.05519	23.4
57.03438	2.7
57.07080	23.0
58.70818	2.2
59.05009	12.3
65.03934	3.9
67.05511	34.4
69.03431	7.4
69.07077	25.9
70.06595	6.2
70.07417	3.5
71.08630	9.6
71.49165	3.5
76.74088	2.5
79.05498	35.1
80.05846	2.9
81.03413	3.3
81.07061	44.6
82.07388	2.3
83.04968	7.5
83.08620	14.1
85.06548	6.7
85.10174	3.4
89.06028	20.7
91.05483	52.8
92.06256	2.3
93.07051	55.5
95.04981	13.0
95.08622	46.7
96.08947	3.6
97.06551	8.4
97.10167	6.6
98.21097	3.1
101.06010	4.6
102.09230	2.7
103.05489	3.7
105.04446	2.1
105.07037	73.0
106.07347	3.1
107.08609	47.1
108.08902	5.1
109.06519	11.6
109.10169	24.0
110.10542	2.2
111.08091	6.1
115.05460	5.3
115.07586	2.9
117.07027	20.8
119.06075	2.2
119.08591	90.5
120.09395	4.0
121.06554	5.2
121.10155	39.1
122.10516	2.6
123.08065	15.4
123.11741	4.8
125.06008	2.7
125.09621	3.6
128.06245	8.7
129.07043	17.8
130.07806	4.5
131.08578	47.8
133.06502	2.4
133.08617	17.6
133.10135	44.7
134.10416	3.6
135.08049	18.6
135.11700	22.7
137.05962	2.5
137.09627	11.9
139.11176	3.8
141.07016	8.2
142.07799	17.4
143.08577	47.0
144.09416	13.5
145.06461	3.2
145.10138	62.3
146.10661	5.0
146.11908	3.4
147.08075	21.1
147.11702	16.0
148.08626	2.1
149.09644	9.1
149.13280	5.5
151.07550	9.4
153.06955	4.0
155.08589	16.3
156.09322	14.2
157.10135	58.3
158.10941	11.3
159.08066	5.1
159.11705	38.1
161.09607	12.5
161.13297	11.7
163.11237	10.4
163.14755	2.6
165.06998	6.1
165.09100	32.7
166.07722	2.4
167.08600	9.4
168.09363	6.7
169.10130	23.9
170.10851	10.9
171.11694	34.1
172.12445	6.4
173.09637	8.2
173.13268	24.2
175.11189	10.6
175.14862	18.5
177.09135	3.4
177.11252	4.2
177.12762	5.0
179.08594	9.1
181.10091	10.0
181.12239	8.1
182.10890	8.5
183.11722	26.1
184.12262	4.8
185.13290	21.8
187.11276	2.9
187.14825	11.6
189.12807	7.6
190.13582	3.4
191.10728	4.4
191.14351	4.7
193.10178	9.6
193.12215	4.8
194.10916	8.4
195.11713	18.9
195.13782	4.9
196.12445	6.7
197.13263	24.5
198.13846	6.6
199.11108	6.2
199.14809	7.3
200.15524	3.3
201.12692	5.3
201.16409	6.7
203.14308	17.6
205.10088	2.7
206.10866	3.1
207.11670	11.0
207.13808	8.9
208.12372	6.3
208.14514	6.3
209.13306	20.2
210.13736	4.4
211.11230	5.0
211.14789	13.5
211.16623	2.7
213.12758	3.7
213.16605	4.7
215.14354	3.1
217.15842	4.8
219.11853	2.9
219.13867	4.2
220.12563	3.9
221.13348	7.8
221.15379	63.2
222.13875	4.7
222.15813	3.4
223.14851	14.4
224.15402	4.6
225.12840	3.7
225.16286	5.2
227.14372	4.1
229.15871	5.0
233.13251	5.1
234.16096	8.2
235.14818	6.4
236.15565	3.3
237.12779	3.5
237.16422	6.4
237.22153	3.4
239.17990	3.4
241.19498	2.9
245.13132	2.8
247.14737	3.8
247.16989	10.1
249.16388	5.7
251.14211	2.3
253.15865	3.0
253.19498	3.5
255.13643	2.5
255.17427	2.5
259.16925	3.3
263.17987	2.9
265.16135	2.5
265.19397	2.2
267.17438	2.5
269.19037	2.8
271.17035	3.8
275.17795	4.3
277.19489	3.1
281.19144	3.7
283.20715	3.3
283.26392	3.7
285.18442	3.7
286.19330	4.2
287.20200	3.8
296.21518	3.0
297.18793	2.8
299.20218	12.0
300.20834	3.4
300.28842	4.4
310.19315	2.7
311.20084	5.7
311.26074	4.3
311.29507	9.2
312.20950	4.0
312.24606	3.5
319.20844	4.2
325.21634	9.5
337.21646	8.8
352.23990	70.7
365.24893	14.1
371.22687	7.0
372.08917	2.3
378.25409	3.1
384.83301	2.5
385.28064	2.5
387.04303	2.4
391.26208	4.2
398.28229	8.1
404.30618	7.9
412.29623	17.3
438.31503	11.5
489.33746	5.5
491.35046	12.4
492.35550	13.6
504.36002	100.0
505.35928	3.0
537.88495	2.9
566.40839	5.8
584.42108	41.8
584.56287	29.7
585.44666	5.1
602.49750	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	584.4217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.1
55.05514	17.3
55.11700	1.9
57.07077	13.8
59.04988	8.1
61.09758	2.1
65.03941	4.4
67.05506	35.1
69.03422	3.5
69.07069	21.2
69.16698	4.5
69.17098	18.2
71.04984	2.7
71.08614	4.8
79.05071	2.8
79.05494	36.5
81.06605	3.4
81.07060	52.3
83.04974	7.6
83.08611	8.1
85.06542	6.0
87.04469	2.1
89.06018	6.2
91.05486	57.6
93.06488	3.7
93.07045	60.3
94.07352	2.6
95.04970	22.0
95.08611	47.3
96.08919	3.3
97.06532	6.4
103.05480	4.0
105.04521	3.5
105.07037	83.9
106.07271	4.2
107.04964	2.8
107.08599	52.9
108.08898	3.5
109.06503	9.0
109.10155	32.3
111.08080	2.6
115.05463	6.1
117.07014	26.6
119.08588	100.0
120.08878	3.5
121.06490	7.2
121.10139	44.3
122.10448	3.4
123.08086	14.4
123.11709	12.2
125.09618	4.5
128.06187	14.0
129.07040	24.0
130.07780	8.9
131.08575	56.1
132.09138	2.6
133.08601	3.8
133.10132	52.7
134.10487	2.5
135.08063	16.2
135.11708	22.0
136.06949	1.9
137.09644	10.0
139.11250	2.6
141.06976	11.9
142.07800	21.4
143.08568	49.4
144.09377	13.0
145.06462	3.0
145.10129	72.9
147.08040	9.4
147.11673	21.6
149.09656	10.2
149.13246	6.3
151.07545	6.0
151.11172	2.6
152.07832	2.1
154.07797	2.9
155.08571	23.7
156.09355	20.1
157.10138	56.7
158.10970	10.2
159.08090	11.0
159.11703	39.4
160.12273	2.6
161.09596	9.1
161.13242	11.1
163.11159	6.8
165.06993	8.4
165.09113	8.4
166.07822	5.6
166.09367	1.9
167.08572	11.3
167.10677	6.1
168.09322	7.3
169.10162	24.2
170.10866	9.2
171.11673	27.0
172.12329	5.8
173.09616	6.1
173.13251	26.7
174.13969	2.3
175.11194	7.3
175.14815	18.4
177.11215	2.0
177.12630	3.8
179.08566	8.9
180.09305	4.8
181.10091	15.0
182.10849	8.7
183.11717	28.4
184.12418	5.6
185.13269	21.3
187.11162	4.1
187.14790	15.0
189.12709	3.7
190.13544	2.5
191.14264	4.5
192.09300	5.0
193.10144	11.5
194.10947	9.1
195.11667	22.0
196.12468	10.4
197.13290	24.3
198.13995	4.1
199.11194	3.6
199.14771	13.6
201.12708	6.4
201.16386	7.0
203.14313	8.8
204.14682	2.6
205.10071	5.0
206.10820	4.4
207.11685	15.5
207.13647	3.7
208.12418	7.7
209.13239	24.2
210.13821	6.4
211.14824	15.3
212.15303	3.1
213.16370	7.3
215.14430	4.1
215.17937	2.8
217.15906	2.2
218.10910	2.8
219.11720	6.6
219.17470	3.2
220.12466	4.7
221.13226	11.6
221.15370	15.5
222.13869	4.0
222.15744	6.5
223.14748	14.6
224.15266	4.5
225.12758	6.4
225.16365	8.7
227.14421	2.8
229.15909	3.2
231.11639	3.0
232.12305	2.7
233.13245	5.4
233.15326	7.5
234.13774	2.7
235.14886	11.3
236.15363	2.8
237.16393	11.6
239.14244	2.4
239.18054	4.3
241.16013	2.9
241.19427	2.8
244.12360	2.5
245.13214	3.1
246.13960	2.9
247.14789	5.1
248.15367	2.7
249.16322	6.2
251.17931	3.6
251.20143	15.1
253.15857	3.2
255.17453	16.0
256.26257	2.6
257.19095	2.7
259.14987	2.8
261.16367	7.0
262.16861	2.3
263.18027	4.4
265.19388	5.0
268.18311	2.6
270.19803	5.5
273.16077	5.0
274.16760	2.3
275.20282	2.4
277.19528	3.8
279.17514	3.1
281.19037	2.8
283.20340	5.7
285.22220	2.5
293.18781	2.2
295.20422	3.0
297.22067	5.4
300.28931	6.1
309.22168	2.4
311.29431	9.4
315.21188	2.3
321.22000	3.1
345.22128	4.1
347.23428	3.2
349.25192	3.6
354.25476	5.6
360.24377	2.4
367.26059	2.9
385.25076	2.2
492.35703	9.3
543.93787	2.4
566.40869	10.5
584.42004	55.1
584.55786	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	584.421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.1
55.01878	0.6
55.05516	4.4
57.07080	4.0
59.05001	1.3
65.03937	1.0
66.27750	0.6
67.05511	9.8
69.03418	1.4
69.07078	5.2
69.84330	2.6
70.06588	1.0
71.05000	1.0
71.08627	1.7
73.02925	9.8
77.03930	0.8
79.05497	12.7
81.07059	21.3
82.07380	0.7
83.04977	1.3
83.08612	4.1
85.10171	1.3
89.06028	1.8
91.05484	14.2
92.05846	0.6
93.07052	20.3
93.07648	1.1
95.04974	3.6
95.08612	13.5
96.08962	0.5
97.06525	2.8
97.10191	1.0
100.37074	0.5
103.05460	4.2
105.07037	100.0
106.07335	1.3
107.04958	0.7
107.08602	12.9
109.06513	1.3
109.10170	7.9
110.10487	0.7
111.08092	0.8
113.09647	0.5
115.05431	1.3
117.07030	4.8
118.56207	0.5
119.08583	24.1
120.08945	1.0
121.06492	1.8
121.10153	16.4
122.10446	0.7
123.08109	3.1
123.11716	2.9
125.09626	1.4
128.06244	2.0
129.07025	3.9
130.07785	2.2
131.08577	10.6
132.09244	0.7
133.08600	1.3
133.10136	15.6
135.08063	1.8
135.11708	7.4
137.09642	1.6
139.11191	1.4
141.06995	1.5
142.07823	3.1
143.08577	8.0
144.09341	1.3
145.10130	17.3
146.11797	0.7
147.08055	1.7
147.11705	8.4
149.09637	1.0
149.13251	2.1
151.07539	0.8
151.11133	0.9
154.07741	0.6
155.08554	4.0
156.09370	2.2
157.10139	9.9
157.39421	0.5
158.10793	1.6
159.08028	0.9
159.11725	8.6
161.09563	0.9
161.13240	4.6
163.11177	0.9
163.14845	0.6
165.07111	1.6
165.09094	2.3
165.12758	0.6
166.07811	0.7
167.08549	1.3
168.09375	1.1
169.10156	6.9
170.10861	1.4
171.11716	5.5
172.12215	0.7
173.13235	5.1
174.13680	0.5
175.14841	3.3
175.16122	0.6
179.08598	1.5
179.14383	1.0
181.10110	3.4
182.10927	1.7
183.11729	5.8
184.12476	0.6
185.13246	3.6
187.11244	0.9
187.14810	2.1
189.12799	1.2
191.14346	1.2
193.10104	1.8
194.10934	2.0
195.11661	4.5
196.12398	1.8
197.13246	5.4
198.13835	0.6
199.11194	0.9
199.14886	2.0
201.16383	0.9
203.14400	1.0
205.10117	0.8
206.11003	1.0
207.11708	2.1
208.12393	0.9
209.13271	6.9
210.13841	1.4
211.14830	3.3
213.12833	0.6
213.16466	1.1
215.14508	0.7
215.18044	1.1
217.15945	1.2
219.11638	0.6
219.17596	0.5
220.12392	0.6
221.13292	2.1
221.15428	2.5
222.13826	0.8
222.15718	1.2
223.14830	2.4
224.15404	0.6
225.12764	0.7
225.16408	5.9
227.12857	2.8
227.17908	0.7
231.17520	0.6
233.13257	1.1
233.19093	0.7
235.14780	1.5
237.16412	1.8
239.18016	1.3
247.14716	1.2
249.16414	1.6
251.14299	1.4
251.17897	0.9
251.20114	6.3
253.15895	0.8
255.12305	7.9
256.26178	0.6
261.16464	1.2
263.23553	1.3
267.21030	0.7
269.18704	0.8
269.21271	1.5
279.23315	1.5
283.20575	0.8
283.26361	0.7
291.21207	0.7
300.28964	1.0
311.29410	2.9
324.24503	0.7
328.32159	0.9
331.19064	0.7
345.26248	0.6
359.18515	1.9
361.43457	0.6
363.26868	0.9
385.28888	0.9
399.28168	0.6
403.30136	2.8
449.34546	0.9
462.35019	0.6
492.35519	0.9
523.39496	0.9
541.40649	2.9
584.33771	1.0
584.41913	6.2
584.55951	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	584.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.7
53.03949	2.2
55.05500	0.5
57.07066	0.5
70.51150	0.7
70.51488	0.6
73.06566	0.5
73.58086	0.5
79.05498	5.7
81.07055	0.9
87.04477	4.6
89.06041	31.3
89.82063	0.4
91.05489	5.8
93.07057	3.8
95.04990	2.2
95.08620	1.1
103.05466	5.8
105.07040	100.0
106.07381	1.2
107.04964	0.9
107.07155	0.5
107.08636	0.9
117.06998	1.0
119.04991	1.3
119.08586	3.7
121.06516	21.4
121.10133	0.5
126.03319	0.4
129.07001	1.5
130.08636	0.4
131.07057	0.8
131.08565	4.2
133.08614	21.1
133.10197	1.0
135.08095	0.7
135.11720	0.5
143.08614	0.6
144.80077	0.4
145.06505	0.8
145.10136	1.4
147.08060	13.6
149.09630	2.3
163.11150	0.5
165.09111	6.0
166.07626	0.4
169.10150	0.5
175.09726	0.8
177.11234	8.1
183.22968	0.4
191.10789	0.6
193.12086	0.5
209.11742	1.9
209.13463	0.7
221.13719	1.0
223.11197	1.3
225.12775	6.7
239.14587	0.4
249.12831	0.8
251.14426	1.5
269.15411	4.3
271.15448	2.1
295.16910	0.5
313.18134	1.5
315.18167	0.9
359.20667	17.7
360.21158	0.4
373.21750	2.6
397.12225	0.8
398.13400	1.2
410.13519	1.2
411.13858	2.9
412.15021	3.6
413.15454	1.9
424.14777	1.4
425.11368	1.1
425.15976	1.6
426.16544	6.4
427.17139	2.9
438.12662	0.8
439.13211	2.7
440.14343	2.8
441.19305	2.4
442.19519	10.6
443.19141	0.9
452.14328	1.3
453.14700	3.0
454.15451	3.5
455.16568	1.1
463.26953	9.8
465.15317	0.5
467.18088	2.0
468.17517	13.6
469.18030	4.1
470.19064	7.2
471.19241	0.7
481.14459	2.0
482.15256	12.1
483.15793	3.5
492.35779	0.9
496.17267	1.8
497.17435	3.8
498.18375	1.4
510.18530	0.9
518.23364	0.5
556.22760	2.0
567.33044	0.8
584.22211	81.1
585.22046	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	584.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52099	0.3
51.02382	0.7
53.03940	1.9
56.04661	0.3
59.04997	0.8
66.65977	0.3
67.05511	0.7
69.07091	0.4
71.49051	0.6
73.06567	0.7
77.03932	1.0
77.78106	0.3
79.05492	6.7
81.03429	0.4
81.07050	1.0
81.42879	0.4
87.04465	4.2
89.06033	28.6
91.05482	6.5
93.07040	4.3
95.04964	1.4
95.08590	0.8
103.05468	6.1
104.28074	0.3
105.07034	100.0
106.07367	0.5
107.04933	0.8
107.07063	0.7
107.08593	1.0
109.10189	0.6
117.07034	1.0
119.04961	1.5
119.08579	3.8
121.06508	20.6
121.10164	0.6
128.06247	0.5
129.07014	1.8
131.07048	1.3
131.08565	3.8
133.08609	21.2
133.10182	1.1
135.11732	0.7
143.08621	0.7
143.93317	0.4
145.06476	0.5
145.10155	1.1
147.08054	13.8
147.11717	0.5
149.09639	3.3
157.10170	0.6
165.09108	5.9
166.07832	0.4
175.09686	0.9
175.11221	0.4
177.11235	6.9
177.12715	0.6
181.10173	0.9
183.11734	0.4
191.10788	0.5
193.12230	0.5
195.11668	0.3
197.13185	0.4
209.11612	1.9
220.12463	0.4
221.13774	0.7
223.11270	1.5
225.12769	6.8
227.12762	0.6
239.14996	0.6
249.12807	1.3
251.14378	1.4
253.14288	0.6
265.16467	0.3
266.28552	0.4
267.00787	0.3
269.15363	4.0
271.15384	1.9
313.18011	1.4
315.18161	1.2
322.07718	0.4
359.20651	15.6
373.21707	2.0
463.26822	8.1
492.35693	1.2
567.33386	1.2
584.41583	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06605	4.0
59.04995	2.0
59.99112	0.4
64.40475	0.2
66.01186	0.2
69.03425	1.3
69.97487	0.9
71.99103	1.4
81.03439	0.6
83.06117	0.3
85.02938	1.0
87.00857	0.6
87.04478	4.2
97.02908	0.4
100.02214	100.0
105.01845	0.4
105.07051	0.4
105.14014	0.2
106.06562	13.4
109.02875	0.5
118.03255	8.8
119.08676	0.2
123.53190	0.2
127.03930	0.6
129.06665	0.4
134.06071	0.4
143.02814	0.3
146.02724	35.5
159.02956	0.3
159.36017	0.2
166.14296	0.2
171.11299	1.9
231.08011	37.2
232.08350	0.3
294.09155	0.7
336.13788	19.5
394.67639	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.9
55.01867	2.5
55.05507	1.5
57.03442	8.0
59.01371	1.0
59.99105	3.4
61.02911	1.0
68.99796	2.8
69.03432	17.7
69.07056	0.6
69.93385	3.2
71.04990	2.6
72.08147	1.4
73.02925	4.1
73.06559	3.5
79.05496	1.1
79.19882	0.6
81.03422	22.4
82.26289	0.7
83.73512	0.6
85.02910	22.8
86.06074	3.8
87.00829	2.0
91.05511	0.9
93.07073	0.7
97.02895	28.5
99.04446	7.7
101.02383	46.4
102.00136	0.9
102.03817	0.7
102.99647	1.3
105.83607	0.6
106.06561	40.3
109.02884	34.3
115.03943	0.8
115.08657	0.8
119.03422	100.0
121.10198	0.7
127.03922	39.8
131.02481	1.2
131.03407	11.3
132.04796	11.8
134.06023	2.2
135.11761	0.8
138.52286	0.7
145.05017	17.2
154.56604	0.7
157.13390	2.1
161.04497	1.5
163.03955	1.3
173.04469	25.2
175.05322	1.1
191.05495	0.9
191.11859	1.7
197.04427	1.0
208.05386	3.2
217.10049	3.5
227.05472	5.5
229.08727	0.7
245.06589	25.1
250.10104	3.4
263.07611	5.1
280.11243	2.7
322.06052	0.8
334.14951	1.1
370.89548	0.6
394.11740	3.6
479.16962	8.5
548.46722	0.7
584.22455	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	583.4357
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	1.3
51.21215	0.9
51.93553	0.9
52.17341	1.1
53.03939	4.0
55.01881	1.6
55.05266	1.8
55.05512	18.2
57.03432	7.3
57.07082	5.9
62.13240	1.0
62.13602	1.0
65.03937	2.5
67.05506	44.9
69.03399	1.1
69.07068	17.6
71.04986	3.3
71.08602	1.4
75.04482	1.3
79.05020	1.5
79.05493	42.4
81.07057	45.0
83.04981	2.7
83.08611	9.0
85.06546	3.4
89.34548	1.1
90.89610	1.0
91.05483	34.4
93.07045	43.4
95.04975	2.6
95.08611	33.0
97.06541	2.7
97.10179	3.4
99.08092	3.4
103.05444	1.2
105.04520	1.2
105.07033	34.1
107.08594	23.7
109.10145	15.1
111.08074	3.3
115.05420	2.3
117.07023	15.5
119.08585	31.7
121.10147	25.2
123.08060	1.5
123.11722	5.5
125.09648	1.9
126.56340	1.1
128.06207	2.5
128.26010	1.0
129.05498	1.6
129.07004	12.5
130.07806	2.0
131.08562	24.9
133.10130	26.7
133.11104	1.7
135.08046	1.3
135.11690	16.1
141.07011	3.2
142.07823	2.3
143.08566	13.5
144.09358	1.3
145.10126	25.4
147.11685	21.9
149.09673	2.8
149.13266	7.4
153.89580	1.0
155.08575	6.8
157.10109	15.2
159.11693	18.0
160.07910	1.0
161.13246	13.9
163.11253	1.5
163.14816	3.0
167.08580	1.7
168.09357	1.6
169.10097	7.8
171.11685	13.6
173.13257	15.0
175.11227	1.4
175.14816	7.7
177.16353	1.3
181.10152	3.3
183.11734	8.1
185.13280	10.3
187.14828	8.0
189.16460	3.3
195.11690	3.3
197.13286	8.0
199.14828	8.6
201.16425	3.7
203.14363	1.6
203.17989	2.3
207.01413	1.1
209.13348	3.1
211.14871	4.2
213.12920	1.1
213.14725	1.7
213.16467	6.7
215.17847	6.5
217.19618	1.3
223.14882	2.0
225.16499	2.7
227.18045	3.2
229.15915	1.3
229.19560	2.4
231.17480	5.4
233.19051	3.4
237.16415	1.9
239.18008	3.2
241.15765	1.4
241.19550	11.8
243.21100	2.2
245.19063	1.5
251.20126	2.3
257.19012	3.9
259.20508	16.2
267.21088	1.2
272.56049	1.1
285.22415	1.4
297.22327	1.3
305.21121	1.6
307.22672	21.6
309.24374	2.7
311.23935	1.3
315.23401	2.2
316.81775	1.2
325.25381	1.5
333.24225	11.4
335.25998	2.6
339.26871	2.3
376.37772	1.1
393.31793	1.6
421.31061	1.9
427.77081	1.2
449.34033	1.3
473.38052	2.9
491.39172	9.1
509.39966	3.9
513.35498	2.3
565.42419	10.2
583.43585	100.0
584.43866	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	583.4358
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72591	0.7
53.03936	3.2
54.23759	0.7
55.01861	2.2
55.05510	13.6
56.05852	1.1
57.03437	4.5
57.07060	3.6
59.05029	0.7
60.64894	0.8
62.87203	0.7
65.03934	2.3
65.46835	0.7
67.05507	35.1
68.94770	0.7
69.07068	16.4
71.04980	2.2
71.08634	1.4
77.03931	1.2
79.05495	30.7
81.03394	0.9
81.04556	0.7
81.07055	40.9
81.91689	0.7
83.04976	2.0
83.08620	5.9
85.06541	2.9
87.22495	0.9
91.05485	30.0
91.35035	0.8
93.07046	28.6
93.07640	1.4
95.04964	2.6
95.08607	29.8
97.06532	2.9
97.10172	4.0
99.08099	2.3
103.05424	1.0
105.04515	0.9
105.07034	27.5
107.08594	18.8
109.06523	1.1
109.10149	12.2
111.08121	1.9
111.51327	0.8
115.05458	1.3
116.06246	1.1
117.07029	11.9
119.08583	26.2
121.10146	15.1
123.08042	1.5
123.11724	3.9
123.76640	0.8
125.09634	1.7
128.06235	2.8
129.05489	1.7
129.07019	11.5
130.07765	2.0
131.08569	22.8
133.10138	27.6
133.11115	1.7
135.08012	1.3
135.11699	10.2
137.09604	1.5
137.13220	1.4
141.06995	3.8
142.07806	2.9
143.08560	15.6
144.09279	1.1
145.10120	21.7
147.11671	16.7
149.09628	1.1
149.13219	3.6
149.85489	0.8
154.07751	0.9
155.08568	6.9
156.09357	1.9
157.10114	16.4
159.11688	17.1
161.09608	0.9
161.13260	6.2
163.11162	1.6
163.14857	2.2
165.12628	0.9
167.08569	1.7
168.09213	1.4
169.10120	10.2
171.11673	17.0
173.13275	10.1
175.11142	1.5
175.14838	3.5
177.12718	1.3
177.16415	1.4
181.10112	5.0
183.11691	10.0
185.13234	11.7
187.14830	8.0
189.12831	0.9
189.16434	3.6
195.11668	5.0
197.13266	7.0
199.14778	6.6
201.12706	0.9
201.16420	3.7
203.17992	3.3
206.82841	0.9
207.11656	1.0
208.12358	1.1
209.13306	3.9
211.14787	4.1
213.14650	1.3
213.16406	13.7
215.18007	4.2
217.19542	1.0
221.13336	1.8
223.14828	2.8
225.16406	4.3
227.14265	0.9
227.18027	2.4
229.15892	2.7
229.19571	2.4
231.17436	10.9
233.19101	2.3
235.14972	2.0
237.16499	2.2
239.18042	2.7
241.19586	2.0
251.18079	2.2
253.19550	1.5
255.21158	1.8
257.19031	1.4
259.20578	1.8
267.21146	1.2
269.19119	0.9
271.20609	1.1
285.22302	1.0
287.23676	1.0
301.21674	1.1
305.21310	2.6
307.22827	1.1
311.23746	1.1
325.21704	0.9
325.25323	1.4
333.24191	1.8
335.25848	6.0
353.28693	1.4
369.27802	1.6
393.31125	1.0
421.31006	1.6
473.38132	1.5
475.34235	1.5
485.36435	1.5
491.38831	10.7
509.40079	3.8
513.35571	1.3
527.38037	1.1
565.42615	7.9
583.43561	100.0
584.43811	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	583.4358
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02353	1.0
53.03942	5.1
54.45380	1.0
55.01865	2.6
55.05273	1.7
55.05516	22.1
57.03445	8.7
57.07067	4.5
58.23372	0.9
59.05006	1.2
63.03917	0.9
65.03942	4.3
65.92381	1.0
67.05508	54.6
69.03426	1.4
69.07072	18.2
70.98847	1.7
70.99176	1.6
71.04996	2.7
71.08617	2.0
79.05498	50.9
81.07062	52.9
83.04980	2.7
83.08616	11.6
85.06526	2.8
91.05488	49.1
93.07050	52.9
95.04963	4.8
95.08616	42.8
97.06542	4.5
97.10175	4.2
99.08108	3.4
103.05468	2.6
105.04517	2.9
105.07036	40.9
107.08599	27.1
109.06531	2.5
109.10172	17.4
111.08086	1.8
113.09678	1.8
115.05479	2.6
117.07021	18.6
119.08588	37.4
121.10152	24.7
123.08063	2.9
123.11720	6.0
125.09608	1.4
128.06233	3.6
129.06990	13.6
130.07771	2.2
131.08577	27.2
133.10139	28.3
135.08078	2.0
135.11714	18.7
137.09665	1.3
137.13182	1.5
139.11176	1.4
141.06995	3.9
142.07777	2.5
143.08585	17.7
145.10132	26.7
147.08052	1.9
147.11705	21.9
149.09584	2.2
149.13260	8.5
151.11243	1.8
155.08540	7.4
157.10120	17.5
159.11693	19.4
161.13297	16.4
163.11279	1.3
163.14780	2.5
165.09259	1.2
167.08635	2.4
169.10112	9.6
170.10999	1.4
171.11690	19.0
173.13272	15.5
175.11259	1.4
175.14851	7.2
179.08643	1.4
181.10143	3.6
182.10851	1.6
183.11700	9.3
185.11707	1.7
185.13245	12.4
187.14856	7.0
189.12776	1.6
189.16411	2.8
193.10170	1.5
195.11713	3.6
197.13321	6.8
199.14838	8.2
201.16393	6.3
203.17999	1.9
205.19742	1.3
207.11566	1.5
209.13338	3.1
210.13857	1.2
211.14905	6.0
213.16451	8.4
215.17989	8.3
217.15988	1.3
219.17451	1.4
221.13400	2.7
221.15372	1.4
225.16446	4.3
227.18016	3.3
229.15923	2.9
229.19359	1.3
231.17523	5.4
231.21075	2.3
233.18965	2.3
235.14917	1.5
237.16499	1.7
239.18044	3.6
241.19650	8.7
244.16438	1.1
245.19270	1.4
249.16415	1.8
251.18056	1.3
253.38318	1.2
257.19098	4.4
259.20615	15.2
261.22177	1.7
271.20496	1.2
275.20233	2.1
285.22101	1.5
299.23541	1.3
307.22699	21.4
309.24771	1.5
325.25317	1.7
333.24365	10.1
335.25784	6.0
473.38123	2.2
491.39026	7.6
509.39838	3.1
513.35468	2.1
547.40790	1.2
565.42816	8.0
583.43604	100.0
584.43921	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.6
55.01872	3.2
55.05508	14.7
57.07079	10.1
59.05013	4.7
65.03958	2.1
67.05508	22.1
69.03427	7.0
69.07072	15.9
69.84025	9.7
71.08646	2.5
74.78112	1.9
79.05492	29.2
81.03442	2.4
81.07067	34.0
81.67213	1.6
83.04994	5.3
83.08620	8.2
85.02888	1.8
85.06561	6.3
87.04461	2.1
89.37688	1.5
89.79417	1.6
91.05485	42.0
91.06028	2.9
92.06229	1.7
93.07048	52.7
95.04965	9.3
95.08611	33.7
97.06526	10.1
103.05518	3.3
105.04510	2.1
105.07034	64.4
107.04972	2.8
107.08599	44.0
109.06516	10.5
109.10156	21.6
111.08099	3.4
115.05460	4.9
117.07012	18.1
119.04980	2.4
119.08584	71.5
121.06542	7.3
121.10151	42.4
123.08088	12.4
123.11735	7.2
125.06022	2.4
125.09596	2.1
126.71918	1.7
128.06195	8.4
129.07018	13.5
130.07837	4.9
131.08557	32.5
133.06535	3.6
133.10143	42.0
133.11095	2.5
135.08096	7.5
135.11670	15.7
137.06015	2.0
137.09625	8.9
139.11163	3.0
141.07014	6.5
142.07788	16.2
143.08554	28.5
144.09406	7.1
145.10133	47.0
147.08063	17.9
147.11687	18.6
149.09641	8.8
149.13307	2.6
151.07529	10.5
151.11227	2.3
153.07059	3.2
155.08577	15.3
155.10657	3.5
156.09355	13.3
157.10143	40.2
158.10910	4.4
159.08073	4.8
159.11696	34.0
161.09682	7.9
161.13251	9.9
163.11249	8.2
165.07053	4.3
165.09128	19.0
166.07875	2.6
167.08597	9.0
167.10666	4.3
168.09355	7.5
169.10130	22.0
170.10919	9.4
171.08067	2.2
171.11690	25.1
173.09708	4.0
173.13260	21.8
175.11220	4.0
175.14809	15.9
177.09149	2.5
177.12811	3.4
179.08592	9.8
179.10471	1.5
179.14360	2.2
180.09448	4.4
181.10149	11.3
181.12152	10.0
182.10991	6.2
183.11696	20.6
184.12517	2.5
185.13260	15.1
187.14806	8.8
189.12805	7.2
191.14357	5.1
192.09477	3.9
193.10178	9.5
193.11986	2.3
194.10963	7.5
194.33084	2.1
195.11777	16.7
195.13583	3.1
196.12511	6.0
197.13300	21.2
199.11214	3.9
199.14888	7.9
201.12711	2.4
201.16499	5.7
203.14366	9.8
205.10196	3.9
206.10999	5.0
207.11734	11.1
207.13899	10.0
208.12413	3.3
209.13310	23.6
209.15187	3.1
211.14835	11.1
213.12920	2.7
213.16441	3.4
215.14346	4.3
217.10190	4.0
217.15932	4.2
219.11757	4.6
220.12645	4.4
221.13304	9.7
221.15460	43.9
222.13966	2.4
223.14793	10.2
225.12938	2.6
225.14726	3.1
225.16618	3.3
227.14478	3.5
229.12318	3.1
230.11130	1.9
231.11821	4.4
233.13287	5.2
233.15515	7.4
234.13991	3.5
234.16220	1.9
235.14920	6.8
235.16995	2.2
237.16447	4.5
239.18007	3.4
243.17555	2.1
245.13310	3.7
246.14156	2.9
247.14882	3.8
247.17157	2.8
249.16437	5.0
251.18015	2.9
253.15852	2.1
253.19762	2.5
259.14832	4.4
261.16431	4.1
263.18057	6.1
265.19666	4.9
271.20526	2.8
275.17914	3.4
277.19574	3.7
283.20755	6.6
287.20276	3.2
289.19501	3.2
291.21249	2.0
299.20367	3.3
311.20160	2.4
329.07422	2.0
331.24268	4.1
349.25372	2.9
364.24228	3.9
375.27045	4.2
377.25000	3.0
385.27615	4.0
399.29269	4.5
408.53616	2.0
425.30695	5.6
447.32693	1.9
477.33615	3.3
491.35260	100.0
504.35794	2.3
508.00287	1.9
525.73877	2.1
565.40637	13.1
583.41620	93.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.4
53.08317	2.2
54.03466	2.0
55.01870	2.7
55.05510	22.9
57.07066	9.2
57.32122	2.0
59.05010	2.6
65.03943	3.1
67.05506	28.6
69.03418	7.7
69.07081	20.9
69.25964	20.7
71.04989	3.9
71.08636	2.3
79.05498	28.4
81.03444	2.4
81.07059	34.2
83.04971	15.2
83.08616	23.1
85.02935	5.2
85.06539	4.9
87.22278	2.0
89.06049	4.8
91.05487	43.2
93.07049	54.9
95.04971	11.0
95.08614	36.4
95.92582	2.1
97.06533	17.4
97.10178	2.7
99.04455	2.4
103.05491	5.4
105.07039	78.4
106.07303	2.5
107.04983	4.8
107.08590	51.6
109.06565	11.6
109.10165	27.7
113.09636	6.5
115.05498	4.5
116.06298	2.4
116.62386	2.0
116.75886	2.0
117.07037	16.3
119.08585	71.7
120.58641	2.2
121.06510	5.7
121.10152	55.1
123.08058	15.5
123.11710	7.0
125.09685	11.3
128.06264	9.9
129.07022	19.1
130.07806	4.8
131.08571	35.8
133.10141	48.1
135.08057	8.3
135.11736	18.5
137.09619	5.3
139.11191	11.7
141.07028	6.2
141.09026	2.2
142.07823	19.3
143.08578	33.9
144.09351	6.9
145.10124	50.1
146.10762	2.0
147.08055	4.3
147.11740	20.1
149.09660	9.0
151.07584	7.7
153.06981	4.1
154.07797	3.3
155.08589	18.5
155.10696	10.5
156.09358	17.7
157.10133	51.5
157.11336	4.1
158.10899	4.9
159.08105	5.0
159.11696	24.1
161.09653	7.8
161.13293	8.1
163.11211	7.4
165.07040	6.5
165.09068	10.9
166.07820	4.4
167.08575	9.8
167.10684	16.4
168.09377	6.6
169.10132	29.4
170.10909	8.7
171.11679	32.2
173.09680	5.9
173.13272	26.0
175.11212	3.5
175.14816	10.4
177.12799	3.2
179.08607	10.9
179.14412	3.0
180.09361	7.9
181.10156	14.1
181.12234	17.2
182.10965	10.5
183.11717	26.4
185.09682	3.5
185.13249	19.6
187.14885	5.3
189.12715	4.5
189.16277	2.3
191.08510	2.6
191.14389	8.6
192.09390	5.1
193.10173	15.7
194.10954	9.7
195.11739	18.6
195.13570	4.9
196.12416	4.8
197.13277	29.1
198.13962	2.2
199.14830	16.1
201.16487	5.3
203.08716	3.0
203.14348	9.4
205.10185	4.2
206.10872	2.8
207.11757	11.0
207.13870	5.6
208.12552	9.2
209.13287	27.4
210.13976	3.1
211.14862	16.1
213.12807	5.5
213.16417	8.4
215.14319	3.0
217.15945	7.5
219.11774	8.1
220.12592	6.6
221.13315	12.9
221.15439	34.0
222.14026	5.4
223.14861	16.6
225.12915	3.7
225.14859	7.9
225.16624	5.2
230.10909	3.0
231.11813	3.8
232.12564	3.7
233.13277	10.2
233.15479	20.6
234.14122	5.2
235.14883	13.9
235.16949	3.2
236.15628	2.8
237.12920	3.0
237.16399	7.8
239.18056	3.1
244.12410	3.6
245.13306	8.4
245.15535	2.6
246.13995	4.6
247.14818	9.9
247.16856	5.1
248.15417	3.2
249.16507	9.6
251.18097	6.6
253.19559	3.2
255.17499	3.0
257.13181	3.0
257.19064	7.0
259.14890	10.1
260.15683	2.8
261.16495	9.7
263.18002	6.9
265.19583	6.8
271.14859	4.2
271.20529	2.9
273.16315	4.1
274.17050	2.1
275.17941	9.6
277.19632	8.0
281.19205	5.8
283.20587	7.0
286.17242	2.7
287.17667	3.3
289.19699	6.5
291.21201	2.4
293.19107	3.1
295.20694	7.4
297.22131	4.7
299.20279	4.0
301.19614	4.0
303.21408	3.0
307.20694	3.5
315.21078	2.6
317.22913	3.3
323.23834	3.2
331.24176	4.0
335.24030	4.1
343.24203	4.8
345.25861	4.0
347.23639	2.7
349.25131	5.3
359.23975	2.5
361.25330	5.0
363.27094	6.7
365.24738	2.9
397.29065	4.2
415.30167	5.3
483.36182	3.2
547.39398	3.8
565.40643	34.6
583.41534	100.0
584.42145	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	583.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.8
55.01874	2.1
55.05513	11.2
57.03444	2.0
57.07061	7.8
57.53303	1.6
59.04988	5.2
65.03907	1.7
67.05507	26.5
69.03425	5.3
69.07075	11.3
70.14265	7.6
71.08604	2.5
73.02879	2.1
79.05497	24.0
81.07056	30.4
83.04981	5.6
83.08607	5.9
85.06553	3.8
91.05478	25.5
93.07047	41.7
95.04955	6.6
95.08604	30.1
97.06530	7.1
103.05482	2.9
105.04473	2.0
105.06326	3.0
105.07032	58.5
107.04962	3.2
107.08603	30.3
107.09325	3.1
109.06512	5.8
109.10168	13.5
111.08062	4.0
115.05477	3.9
117.07039	11.5
119.08590	39.5
121.06506	5.9
121.10143	25.9
123.08086	15.8
123.11735	6.1
125.09619	2.9
128.06201	4.3
129.07043	9.1
130.07765	3.0
131.08582	21.7
133.06502	3.7
133.10129	28.0
135.08073	9.3
135.11679	10.0
137.09592	10.9
139.11214	4.8
141.06984	3.9
142.07787	12.3
143.08571	20.1
144.09332	5.2
145.10129	30.2
147.08028	18.3
147.11707	9.9
149.09607	5.6
151.07530	14.9
151.11121	2.0
155.08582	9.9
156.09352	7.4
157.10153	28.9
158.10912	2.4
159.11713	18.7
161.09659	4.4
161.13271	6.9
163.11194	4.0
165.06990	2.8
165.09120	30.0
166.07732	2.8
167.08636	4.0
168.09349	3.5
169.10124	13.0
170.10883	3.6
171.11676	19.2
173.09621	3.6
173.13206	9.3
175.11192	2.4
175.14842	8.0
179.08578	4.5
179.10677	1.7
180.09288	2.1
181.10165	9.1
181.12241	4.4
182.10892	4.4
183.11714	15.2
185.13220	10.3
187.11156	2.2
187.14793	4.4
189.12732	4.4
191.10643	2.2
191.14464	2.0
192.09326	2.0
193.10150	6.4
194.10951	6.5
195.11707	11.1
196.12453	4.1
197.13245	18.0
199.14903	4.9
201.12787	2.3
201.16377	3.3
203.14331	13.3
206.10934	4.4
207.11682	8.3
207.13826	6.2
208.12517	5.3
209.13252	12.5
210.14052	2.4
211.14879	9.1
213.16385	4.6
215.14333	2.0
219.11699	4.3
219.17459	2.7
220.12503	2.5
221.13283	9.0
221.15343	57.1
222.13972	2.3
223.11417	2.1
223.14818	9.0
225.16374	2.3
233.13243	4.5
233.15459	3.4
234.14082	3.2
235.14848	6.8
237.16341	4.5
239.17995	3.6
244.12773	2.6
245.13310	4.4
247.14778	2.7
248.15373	2.2
249.16444	5.4
257.19040	3.0
259.14905	4.2
261.16467	2.8
263.17712	2.7
265.19574	3.5
269.18756	2.2
271.16864	2.2
271.20557	2.9
273.16208	1.9
276.29041	2.2
277.19568	3.3
279.20981	2.6
283.20490	3.1
285.18750	2.5
289.19461	2.6
295.20670	3.7
297.22119	4.7
299.20319	2.2
312.20804	2.0
348.24518	2.1
349.25134	2.1
352.23776	2.5
364.58163	1.9
365.24783	3.0
375.26767	5.1
385.28690	2.6
403.30020	7.8
410.32941	2.4
491.35532	4.3
503.35037	6.0
509.34323	2.1
565.40607	26.6
583.41602	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02413	1.5
51.15274	1.1
53.03939	4.4
55.01870	2.3
55.05516	8.8
57.03423	1.8
57.07083	10.1
59.04993	4.5
64.31458	1.1
65.03956	2.6
67.05511	21.2
69.03433	5.8
69.07072	11.9
71.08636	2.8
77.03920	1.6
79.05063	2.0
79.05493	19.9
81.03442	1.4
81.07052	30.3
83.04977	3.9
83.08617	7.2
85.06547	5.8
89.06028	1.6
91.05486	28.4
93.07046	36.5
95.04961	6.9
95.08609	24.8
97.06524	4.6
97.10203	1.7
98.20811	3.1
99.08092	3.5
103.05445	1.9
105.04520	2.5
105.07035	46.8
107.04958	2.3
107.08601	32.6
109.06524	8.0
109.10155	15.9
111.08051	2.1
113.09639	1.1
115.05440	2.0
117.07022	12.0
119.04954	1.1
119.08591	54.7
121.06530	3.3
121.09317	2.4
121.10139	24.0
123.08083	14.9
123.11736	4.7
125.05984	1.7
128.06255	4.7
129.06973	8.5
130.07800	4.5
131.08582	22.0
133.06509	2.3
133.10138	30.9
135.08080	9.5
135.11678	13.8
137.09636	8.0
139.07535	2.4
139.11197	1.9
141.07007	3.6
142.07803	9.3
143.08577	18.7
144.09346	4.5
145.10129	33.2
147.08063	13.7
147.11705	10.9
149.09601	7.3
149.13239	2.8
151.07556	15.0
151.11194	1.6
153.07098	1.8
155.08539	9.0
156.09332	9.3
157.10133	23.7
158.10976	2.3
159.08081	3.2
159.11697	22.1
161.09666	5.8
161.13251	6.6
163.11153	6.2
165.06981	3.6
165.09131	23.3
166.07790	1.3
167.08600	5.2
168.09375	4.4
169.10109	13.2
170.10912	3.7
171.11697	19.4
173.09666	2.9
173.13252	11.5
175.11243	2.5
175.14816	12.0
177.09111	1.7
177.12845	1.8
179.08582	5.2
180.09387	3.1
181.10114	8.1
181.12280	4.6
182.10934	3.4
183.11708	14.6
184.12541	1.4
185.09547	1.9
185.13254	9.3
187.11188	2.3
187.14809	6.6
189.12776	5.2
191.14366	3.6
192.09404	1.9
193.10223	4.8
194.10942	3.6
195.11714	12.8
195.13570	1.8
196.12495	3.6
197.09656	1.3
197.13243	13.1
198.13992	1.8
199.11160	2.6
199.14804	6.5
201.12799	2.6
201.16360	4.1
203.14310	10.2
205.10165	1.6
205.15805	2.3
206.10938	3.2
207.11705	5.8
207.13828	7.9
208.12498	3.4
209.13293	14.9
209.15370	2.9
210.14093	2.2
211.11224	2.2
211.14790	8.4
212.15858	1.8
213.12775	1.6
213.16371	2.7
215.14403	1.5
215.18346	1.3
217.15800	2.2
219.11638	2.2
219.17432	5.5
220.12489	2.8
221.13286	7.4
221.15334	51.4
222.13986	1.9
223.14789	7.1
225.12746	1.5
225.16376	2.6
227.14352	1.3
227.18022	1.4
229.12358	1.4
231.11754	2.0
231.17508	1.6
233.13255	3.3
233.15436	1.9
234.14093	1.6
235.14838	8.3
235.16927	1.9
236.15788	1.3
237.16382	4.4
239.18095	1.4
241.19673	1.3
245.13197	2.0
246.14128	1.5
247.14804	4.7
247.17006	4.3
249.16443	4.3
250.17281	1.8
251.17905	1.4
253.15883	1.4
257.19009	1.7
258.14212	1.2
259.14932	2.3
261.16360	2.5
263.17987	3.5
265.19580	4.6
267.17621	1.5
267.21133	1.2
269.19009	1.7
271.20587	2.3
275.17572	2.0
275.20120	5.0
281.18970	2.0
283.20605	8.4
285.18738	1.5
286.19394	1.5
287.20218	3.1
289.19574	1.9
291.20981	1.6
297.22241	1.2
299.20386	1.5
309.22348	1.8
313.21729	1.7
314.89157	1.2
315.21100	1.3
349.25290	4.5
357.26041	1.4
364.23810	1.8
375.26898	2.7
377.24893	1.7
382.27863	1.2
385.27774	1.9
399.28961	3.7
403.29837	1.8
425.30429	3.5
443.31271	2.7
464.33282	2.0
467.33099	1.3
477.33508	1.8
491.35205	55.6
503.35394	1.4
547.39172	1.7
565.40430	8.5
583.41553	100.0
584.42297	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	583.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.7
55.01871	2.7
55.05518	9.5
57.03436	2.3
57.06879	0.9
57.07080	9.4
59.04993	4.6
62.27874	1.0
65.03941	2.2
67.05505	23.0
67.41804	1.1
69.03432	5.7
69.07061	12.9
69.40961	8.5
72.90976	0.9
75.67145	1.0
77.03880	1.4
78.27049	1.0
79.05068	1.9
79.05498	21.7
80.67342	0.9
81.07059	28.6
83.04977	3.6
83.08627	6.8
85.06554	5.7
91.04912	1.7
91.05484	33.1
93.07048	40.0
95.04974	6.0
95.08000	1.4
95.08611	26.7
97.06528	5.5
97.10184	1.1
103.05471	2.9
105.04520	1.4
105.07034	46.8
107.04965	1.3
107.08600	28.3
109.06529	5.8
109.10157	15.6
111.08087	2.4
115.05436	2.4
117.07030	12.4
119.08589	53.9
121.06524	4.5
121.10156	27.9
122.07347	1.1
123.08080	12.4
123.11662	5.1
125.06005	3.4
125.09668	1.0
127.71059	1.2
128.06244	4.5
129.07043	10.7
130.07809	5.2
131.08575	24.3
133.06508	2.5
133.10143	29.8
135.08057	8.8
135.11699	13.4
137.09613	9.9
139.07562	1.2
141.06999	4.7
142.07768	9.8
143.08559	21.2
144.09334	4.0
145.06471	1.7
145.10135	36.5
147.08072	16.8
147.11697	12.5
149.09651	7.2
149.13277	3.9
151.07539	16.2
151.11192	1.8
153.06990	1.3
153.09106	1.5
154.07857	1.1
155.08562	7.6
156.09340	7.4
157.10152	30.6
158.10896	3.7
159.08069	2.8
159.11703	22.2
160.08879	1.2
161.09641	4.9
161.13293	7.8
163.11163	6.8
165.07025	2.7
165.07726	1.5
165.09109	25.3
166.07747	2.0
167.08565	6.0
168.09396	3.8
169.10133	15.7
170.10976	5.5
171.11700	20.5
172.12546	1.8
173.09662	3.4
173.13242	12.8
174.10486	1.3
175.11227	3.7
175.14842	10.4
177.12714	2.1
179.08521	6.5
179.10793	1.3
180.09334	3.0
181.10155	9.8
181.12225	5.0
182.10931	4.8
183.07898	1.0
183.11723	19.6
184.12473	3.2
185.13231	10.7
187.11206	1.6
187.14830	9.8
189.12711	5.6
191.10670	2.2
191.14342	3.6
192.09370	2.5
193.10124	5.4
194.10945	4.7
195.11703	11.8
195.13535	1.7
196.12524	3.0
197.13257	13.3
199.11208	2.1
199.14880	5.6
200.12090	1.2
201.12688	2.7
201.16418	4.8
203.14331	11.9
203.17865	1.0
205.10129	2.0
205.15895	2.0
206.10962	3.6
207.11708	9.0
207.13869	6.4
208.12492	4.3
209.13322	16.4
209.15260	1.0
211.11246	2.0
211.14720	6.3
213.12744	2.1
213.16428	4.1
217.10056	1.3
217.16045	1.6
218.11104	1.2
219.11746	3.8
219.17496	2.2
220.12479	2.8
221.13269	8.6
221.15349	58.2
222.13963	2.3
223.14864	7.8
225.12762	1.7
225.16399	4.2
227.14270	2.0
229.16011	1.5
231.11691	3.8
231.13846	1.5
231.17552	3.0
232.12546	1.5
233.13246	4.4
233.15297	1.5
235.14874	6.9
237.12723	1.8
237.16434	4.3
239.17935	3.7
241.19493	1.5
245.13313	2.6
246.13969	2.1
247.14851	3.4
247.16982	2.6
248.99594	1.2
249.12775	1.5
249.16452	4.3
251.18053	3.7
253.15866	1.5
255.17426	1.5
259.14749	2.5
260.15622	1.6
261.16324	2.5
262.17148	1.4
263.17929	1.8
265.19562	4.9
267.17450	1.4
269.19067	1.6
271.14874	1.3
273.16220	1.2
275.17755	2.4
277.19617	1.7
283.20587	7.5
287.20190	4.2
291.21039	1.9
297.22147	2.0
299.20145	2.1
301.19208	1.3
335.25989	1.4
349.25354	4.6
364.24146	1.9
375.26846	4.2
377.24933	2.8
385.27676	2.9
399.28961	2.8
403.29929	2.8
425.30588	3.9
464.32941	2.2
477.33789	1.8
491.35220	48.9
503.35196	1.2
504.36160	1.8
527.35187	1.6
565.40533	7.2
583.41644	100.0
584.42267	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.6
55.01867	1.9
55.05516	14.2
55.79454	1.2
57.03419	1.4
57.07074	8.2
59.04994	4.3
60.85102	1.2
65.03951	1.7
67.05505	26.0
67.52592	1.1
69.03423	4.9
69.07072	19.7
69.21652	2.1
69.22050	11.1
71.04975	1.9
71.08646	2.4
79.05498	26.3
81.07058	32.6
83.04974	5.6
83.08621	10.9
85.06533	4.4
85.10178	1.5
89.06026	1.4
91.05485	36.4
93.07046	45.6
95.04980	8.6
95.08609	34.3
97.06528	5.9
97.10178	4.4
99.08103	1.3
103.05463	3.0
105.04528	2.0
105.07037	56.8
107.04960	2.6
107.08595	38.2
109.06504	6.5
109.10155	18.0
111.08092	3.5
111.11662	2.0
113.09651	2.2
115.05480	4.5
116.06257	1.5
117.07030	12.9
119.04981	1.5
119.06123	1.7
119.08583	63.4
121.06518	4.2
121.10146	46.2
122.10470	1.4
123.08070	10.9
123.11704	5.1
125.06025	2.3
125.09624	3.9
128.06245	7.7
129.07033	12.0
130.07809	5.4
131.08568	23.9
133.06497	2.3
133.10135	32.0
135.08070	6.3
135.11690	17.2
137.09619	7.3
139.07402	1.8
139.11150	2.1
141.06982	7.1
142.07785	14.2
143.08568	24.5
144.09349	5.5
145.10130	40.9
147.08041	8.4
147.11697	14.7
149.09660	9.6
149.13286	3.4
151.07521	9.4
151.11203	1.3
153.06966	2.8
153.12779	1.3
154.07761	2.5
155.08546	11.4
155.10614	2.7
156.09358	11.4
157.10136	40.9
158.10913	4.9
159.08075	4.0
159.11693	22.4
161.09653	5.6
161.13297	7.4
163.07655	1.2
163.11194	7.0
163.14835	1.8
165.07016	6.7
165.09100	13.3
166.07762	2.3
167.08604	6.8
167.10692	32.7
168.09332	5.9
169.10130	19.4
170.10925	4.9
171.11690	22.4
172.12473	2.5
173.09637	2.7
173.13277	15.3
175.11171	2.8
175.14830	11.1
177.12778	1.5
178.07695	1.6
179.08580	10.7
180.09346	3.5
181.10118	11.7
181.12155	6.2
182.10942	7.1
183.11694	21.4
184.12483	2.5
185.09595	1.9
185.13239	11.2
187.11165	3.2
187.14819	7.3
189.12794	5.2
191.08517	1.7
191.14325	4.8
192.09370	2.7
193.10127	10.3
194.10941	6.3
195.11707	16.5
196.12503	5.1
197.13249	17.9
198.14114	1.4
199.11253	1.8
199.14844	10.0
201.12836	1.9
201.16409	4.7
203.08525	1.5
203.14279	8.1
205.10181	2.6
205.15923	1.5
206.10970	3.8
207.11705	11.3
207.13826	6.1
208.12477	6.3
209.13297	18.1
209.15163	2.4
210.14034	2.5
211.11267	1.8
211.14868	9.1
213.12782	2.7
213.16455	4.7
215.14368	4.0
217.10223	2.1
217.15871	6.6
218.11011	3.8
219.11748	4.8
219.17439	2.0
220.12555	4.9
221.13269	10.8
221.15416	26.5
222.14070	2.9
223.11342	1.8
223.14833	11.9
223.48157	1.2
224.15546	1.7
225.12726	2.5
225.16383	4.2
229.15921	3.3
230.10858	2.8
231.11758	3.1
231.17418	2.1
232.12468	2.6
233.13283	7.2
233.15436	10.4
234.14063	3.2
235.14877	6.5
236.15588	2.7
237.12762	1.4
237.16434	6.6
239.14268	2.9
239.17995	3.4
243.11723	2.5
244.12456	1.8
245.13240	4.9
246.14093	2.6
247.14862	6.4
247.17084	2.1
247.24297	3.2
248.15318	1.7
249.16417	6.2
251.17999	4.8
253.19647	1.5
257.19064	4.6
258.14072	1.7
259.14877	4.2
259.17270	1.3
259.61176	1.3
260.15768	1.5
261.16388	5.9
263.14005	1.5
263.18011	4.9
265.19556	4.6
265.25290	4.3
267.17404	1.4
269.18991	3.7
271.14728	1.8
271.20547	2.8
273.16110	2.3
273.18686	2.1
274.17078	1.4
275.17911	5.4
275.20435	2.7
277.19601	4.3
279.17557	1.5
279.21072	2.0
281.19183	2.4
283.20541	7.9
285.18826	1.7
287.17923	2.8
289.19644	2.8
291.20975	1.5
293.18964	1.7
295.20566	5.5
297.22171	2.1
298.17261	1.4
299.20239	2.6
307.20593	2.2
309.21942	2.1
311.20197	2.8
315.21378	1.5
319.23938	1.6
321.22321	2.3
329.22516	1.6
333.22122	1.6
335.23807	3.0
339.28955	2.2
347.23642	1.8
349.25150	3.2
357.25598	1.5
361.25366	3.4
367.20172	1.5
375.26987	3.5
377.24713	1.5
401.28406	1.8
403.12079	1.3
403.29959	5.8
491.35187	8.4
503.34738	2.9
509.34048	2.3
547.39423	4.5
565.40387	20.4
583.41516	100.0
584.41895	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06946	1.7
53.03947	7.3
55.01864	2.8
55.05518	18.4
57.07080	11.2
59.04995	7.4
65.03947	5.7
67.05513	32.6
69.03442	8.6
69.07075	23.4
69.84103	5.6
69.84509	3.9
71.05028	2.2
71.08628	2.2
79.05492	33.5
80.33781	2.1
81.07061	42.2
83.04990	9.2
83.08627	13.6
85.06565	7.6
89.06042	4.1
91.05485	55.2
93.07047	76.4
95.04968	11.8
95.08609	43.6
95.09178	3.1
97.06553	9.7
97.10200	3.3
98.21445	1.9
103.05486	7.1
105.04521	3.6
105.07037	100.0
107.04993	2.6
107.08607	57.5
107.09315	3.9
109.06526	8.2
109.10162	29.0
111.08083	5.2
113.09612	2.1
115.05475	6.3
117.07025	18.1
119.08590	94.1
121.06548	7.0
121.10157	66.1
123.08047	11.7
123.11738	6.0
125.09635	3.2
128.06206	14.6
129.07016	19.9
130.07796	8.0
131.08575	40.4
133.06525	4.6
133.07664	2.1
133.10138	43.4
135.08073	11.5
135.11711	19.9
137.09645	8.3
137.13251	3.2
139.11189	5.8
141.06998	12.0
142.07800	29.1
143.08572	47.0
144.09381	8.8
145.06488	2.1
145.10132	64.2
147.08046	12.0
147.11690	21.2
149.09628	11.3
149.13319	4.5
151.07521	10.1
151.11229	3.3
151.14905	1.8
153.06984	5.6
153.09113	2.6
154.07771	2.5
155.08577	19.8
155.10666	3.6
156.09352	19.0
157.10144	58.1
158.07384	2.0
158.10898	10.2
159.08070	7.3
159.11725	32.1
159.13026	2.2
160.08838	2.3
161.09682	5.9
161.13297	6.9
163.11195	6.7
163.14870	3.4
165.07037	7.4
165.09131	15.3
166.07813	4.1
167.08597	12.5
167.10690	49.0
168.09352	8.7
169.10117	31.5
170.10980	9.3
171.11719	34.5
173.09653	5.0
173.13274	26.6
175.11218	4.5
175.14854	11.3
178.07741	2.6
179.08554	17.4
180.09303	7.8
181.10162	18.3
181.12277	5.1
182.10938	11.2
183.11710	29.3
184.12450	7.6
184.74130	1.8
185.09665	2.2
185.13269	21.2
187.11189	2.7
187.14851	11.0
189.12799	6.4
191.08595	2.3
191.14316	8.7
192.09393	5.7
193.10106	16.1
194.10835	10.5
195.11731	20.7
196.12535	7.1
197.13277	21.2
198.13889	3.4
199.11261	2.6
199.14868	24.0
201.12807	4.5
201.16420	7.8
203.14413	9.9
205.10205	4.0
205.15848	2.4
206.10910	6.9
207.11757	19.7
207.13774	4.5
208.12537	8.1
209.13278	31.1
209.15125	2.0
209.41652	2.2
210.14096	3.3
211.11273	3.2
211.14833	17.1
213.12904	1.9
213.16289	4.0
215.14308	5.7
217.10164	4.5
217.15862	15.7
218.10970	5.5
219.11758	7.8
219.17520	3.8
220.12581	5.9
221.13309	14.4
221.15454	26.1
222.14098	4.0
223.14830	20.7
224.15656	2.3
225.16437	7.3
227.14438	3.6
229.15808	4.3
230.10904	2.4
231.11766	6.3
232.12498	5.3
233.13286	7.7
233.15459	16.5
234.13995	4.1
235.14798	12.8
235.16862	2.4
236.15508	2.2
237.16428	7.2
239.14403	2.5
239.18109	4.3
244.12511	2.7
245.13362	7.4
246.14075	6.3
247.14734	9.6
249.16420	9.6
250.16995	2.8
251.17960	3.8
253.19557	2.1
255.17477	2.5
257.13284	3.7
257.19052	8.0
258.14218	2.6
259.14902	6.1
260.15695	3.3
261.16476	7.0
262.17288	2.3
263.18103	6.7
265.19547	7.1
267.17584	2.6
269.13165	2.1
269.19101	3.6
271.14639	3.3
272.15417	2.6
273.16470	5.2
274.17258	2.5
275.18073	7.4
277.19586	2.9
279.20792	1.8
281.19147	3.7
283.20486	9.6
285.18857	2.9
287.20334	2.7
289.19656	5.5
291.21136	2.3
295.20673	2.6
299.20370	3.0
301.19382	2.5
307.20380	2.7
317.22852	2.7
331.24353	4.4
333.22064	1.9
335.23755	3.5
343.24423	3.0
347.24051	2.8
349.25320	8.6
359.23560	2.1
361.25458	4.5
375.26947	4.0
401.28818	2.4
403.30426	2.5
438.39032	2.1
483.30539	2.1
491.35062	6.1
503.35336	2.9
547.39514	2.9
565.40570	17.7
583.41559	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	583.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.5
55.05518	13.6
57.07065	4.9
64.70753	1.8
65.03931	3.7
67.05513	21.8
69.03426	7.1
69.07082	12.2
75.72569	2.0
79.05495	21.6
81.06660	2.7
81.07066	30.0
83.04997	4.5
83.08601	6.0
85.06540	5.9
91.05487	36.5
93.07054	48.8
95.04968	8.5
95.08615	30.8
97.06549	7.2
98.20726	4.5
98.34044	1.9
103.05456	4.6
105.07044	55.2
107.08604	40.6
109.06511	8.6
109.10168	14.6
113.09675	2.3
114.53277	2.1
115.05473	4.3
117.07007	12.5
119.08591	55.9
121.06483	3.5
121.10150	48.2
123.08058	15.0
123.11736	5.7
125.09676	4.9
128.06223	10.3
129.07001	14.9
130.07787	7.1
131.08591	28.2
133.06491	5.1
133.10139	34.8
135.08054	8.3
135.11719	12.4
136.21260	2.3
137.09641	8.3
141.06998	7.1
142.07773	17.9
143.08566	34.4
144.09320	7.3
145.10143	39.7
147.08066	6.4
147.11674	11.8
149.09641	8.9
149.13266	3.7
151.07562	14.1
153.06949	3.7
154.07690	2.2
155.08592	12.9
156.09360	14.9
157.10144	42.6
158.10918	7.0
159.08057	5.2
159.11696	25.3
161.09621	7.8
161.13266	6.2
163.11238	4.2
164.43994	2.1
165.07040	5.2
165.09135	14.5
166.07724	2.7
167.08592	8.7
167.10713	27.5
168.09381	5.7
169.10158	22.4
170.10933	9.2
171.11719	29.9
172.12503	2.8
173.09625	3.5
173.13286	21.9
175.11281	2.5
175.14896	9.4
178.07742	2.5
179.08574	11.0
180.09328	3.8
181.10144	12.2
181.12132	4.4
182.10933	6.1
183.11725	16.5
184.12479	5.2
185.13243	14.7
187.14821	6.1
189.12782	7.5
191.08640	2.6
191.14322	5.8
192.09346	4.7
193.10144	14.3
194.10866	5.7
195.11746	17.1
196.12529	4.0
197.13287	19.6
199.14851	13.4
201.16394	4.6
203.14336	8.8
205.10097	5.0
206.10910	5.2
207.11725	12.7
207.13855	8.4
208.12468	6.5
209.13266	22.9
210.14034	2.9
211.11211	2.4
211.14912	11.1
213.16359	5.5
215.14444	2.7
217.10095	4.0
217.15939	5.9
218.10963	2.4
219.11707	4.9
220.12454	6.0
221.13239	11.9
221.15427	22.6
222.14067	4.8
223.14868	10.5
224.15823	2.5
225.16443	4.2
231.11632	3.5
231.17555	2.7
232.12456	5.1
233.13292	8.5
233.15187	9.8
234.14035	4.1
235.14798	6.6
236.15628	2.8
237.16483	6.5
239.17995	4.8
243.11670	2.4
244.12511	2.4
245.13358	6.4
247.14871	7.0
248.15585	2.5
249.16473	7.4
250.17323	2.6
251.18051	6.7
253.19371	2.6
255.17418	4.5
257.13290	3.0
257.19055	4.3
258.14240	2.7
259.14694	4.8
260.15704	2.2
261.16226	5.1
262.17297	2.7
263.17883	5.0
265.19537	6.5
269.18933	3.5
273.16232	4.4
275.18021	7.6
277.19492	3.5
283.20575	7.3
285.18600	3.9
287.17691	2.6
289.19391	3.0
295.20746	2.8
299.20197	3.4
329.22549	2.2
331.24350	5.5
333.22296	2.6
347.19357	2.5
347.23602	3.9
349.25430	3.8
357.25806	3.7
375.26953	3.7
403.30008	5.1
491.35065	3.3
509.34079	2.8
547.39319	5.1
565.40417	20.7
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	583.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.5
55.05517	18.2
57.07070	10.0
59.04992	7.4
65.03936	4.2
67.05496	26.1
69.03429	5.4
69.07066	16.2
76.26404	2.4
79.05495	36.1
81.07052	34.2
83.04986	6.4
83.08620	7.5
85.06553	6.3
91.05484	48.2
93.07053	58.4
93.85701	2.5
95.05000	8.0
95.08607	41.1
97.06530	5.8
97.10172	2.3
103.05464	2.7
105.07038	81.4
107.08614	40.6
109.06522	8.5
109.10174	22.6
114.32450	2.6
115.05483	7.4
117.07017	18.3
119.08588	82.9
121.06555	7.2
121.09339	4.5
121.10157	47.8
121.10970	1.7
123.08074	11.6
123.11747	5.0
125.06003	3.4
128.06218	12.2
129.07034	17.4
130.07800	5.5
131.08583	30.1
133.06473	4.4
133.10138	35.5
135.08051	9.1
135.11707	17.1
137.09647	11.4
141.07002	9.5
142.07773	23.2
143.08569	45.4
144.09323	6.1
145.10127	50.5
147.08043	22.5
147.11713	10.1
149.09630	6.6
149.13245	3.5
151.07547	12.6
153.07030	6.1
155.08583	18.2
156.09383	20.9
157.10126	49.8
158.10895	8.6
159.08151	5.1
159.11662	29.5
159.12648	2.3
161.09674	5.8
161.13284	10.9
162.15648	2.6
163.11227	7.0
165.07019	10.2
165.09106	33.5
167.08565	9.3
167.10681	13.8
168.09402	9.2
169.10167	28.0
170.10957	10.9
171.11697	28.7
173.09666	6.3
173.13243	25.5
175.11177	5.8
175.14856	8.0
179.08527	16.3
180.09366	6.2
181.10179	14.0
181.12199	5.0
182.10970	8.0
183.11734	25.6
184.12482	4.6
185.09602	3.1
185.13255	19.0
187.11122	3.0
187.14853	7.8
189.12753	6.3
191.14348	9.7
192.09355	6.5
193.10109	16.5
194.10951	13.1
195.11732	22.5
196.12447	6.8
197.13298	24.1
198.14218	2.9
199.14864	13.8
201.12820	3.7
201.16393	4.5
203.14346	18.0
205.10255	4.7
206.10989	5.1
207.11745	20.3
207.13840	10.5
208.12444	5.1
209.13258	28.1
210.13968	4.8
211.11218	3.5
211.14870	14.0
213.16293	3.2
215.14319	3.1
217.10187	3.4
217.15926	9.1
219.11765	9.6
220.12531	6.1
221.13292	17.2
221.15434	71.3
222.13976	3.8
223.14847	12.3
224.15706	4.2
225.16399	5.1
231.11732	4.1
232.12503	5.4
233.13252	10.0
233.15384	6.2
234.14055	5.1
235.14821	13.5
237.16408	7.1
239.17978	5.1
241.12225	2.9
243.11694	3.3
245.13326	5.5
246.14095	4.6
247.14845	10.3
248.15645	4.1
249.16440	10.7
251.18053	4.4
253.19418	4.1
255.17552	2.9
257.13266	3.7
257.19089	4.5
258.13873	2.8
259.14841	5.7
260.15640	5.9
261.16422	11.9
263.17975	8.1
265.19559	6.0
269.18936	4.2
273.16376	5.5
275.18018	14.4
277.19635	6.4
283.20563	18.1
289.19479	4.8
291.21243	3.2
295.20721	5.2
297.22000	5.6
300.20926	2.9
301.19446	4.4
303.20996	4.3
307.20566	3.5
331.24191	6.5
349.25259	8.9
365.24548	3.7
375.26840	9.8
401.28671	3.4
403.30011	5.2
491.35193	6.1
503.35153	4.9
509.34229	3.7
547.39050	4.2
565.40448	23.0
583.41467	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77374	0.7
53.03938	4.3
55.01844	1.6
55.05515	10.0
57.03421	0.9
57.07079	9.1
59.04988	3.8
60.72557	0.9
65.03947	2.4
67.05508	18.2
69.03432	6.1
69.07068	12.0
69.30170	6.7
71.04984	1.4
77.03938	1.7
79.05491	21.8
81.07057	27.0
83.04983	4.7
83.08615	7.4
84.79572	0.7
85.06552	5.0
87.04472	1.8
87.36028	0.8
89.06033	6.6
89.38976	0.8
89.45077	0.9
91.04910	2.0
91.05481	34.6
93.07046	39.3
94.07417	0.9
95.04964	7.6
95.08606	29.7
97.06532	3.6
97.10167	1.1
102.43942	1.0
103.05488	5.0
105.04538	1.9
105.07033	100.0
107.04994	0.9
107.08596	32.1
109.06512	6.9
109.10160	15.3
111.08100	1.6
115.05453	3.0
116.06258	1.3
117.07013	12.0
119.04939	1.4
119.08584	54.1
121.06512	11.8
121.10143	31.1
123.08056	13.3
123.11715	4.4
125.05998	2.8
125.09569	2.0
128.06250	8.9
129.07004	10.5
130.07780	5.4
131.08566	23.7
133.06479	2.4
133.07512	1.0
133.08614	1.9
133.10129	27.8
135.08061	7.3
135.11671	10.5
137.09622	7.7
139.11209	1.7
141.07018	6.2
141.15805	0.8
142.07779	17.5
142.08803	1.3
143.08562	27.9
144.09340	7.5
145.10127	34.7
147.08044	13.6
147.11685	10.9
149.09624	3.9
149.13290	2.3
151.07541	13.3
151.11195	1.5
151.53026	0.8
153.07033	3.8
153.09177	1.4
154.07774	3.9
155.08537	11.5
156.09349	14.3
157.10130	38.8
158.10916	4.6
159.08098	2.4
159.11705	19.1
161.09589	5.7
161.13226	6.6
163.11194	5.5
165.07021	7.6
165.09111	32.2
166.07809	3.7
167.08585	7.9
167.10669	7.8
168.09419	4.6
169.10123	22.7
170.10941	6.2
171.11681	21.8
172.12466	1.5
173.09636	3.1
173.13260	17.2
175.11211	3.8
175.14833	5.2
177.09102	1.4
177.12743	0.9
178.07777	2.0
179.08553	10.5
179.10057	1.1
179.10753	0.9
180.09357	5.3
181.10129	12.3
181.12144	4.2
182.10942	6.0
183.10086	1.2
183.11699	21.3
184.12453	3.1
185.13263	14.2
187.11179	2.0
187.14847	5.4
189.12793	4.9
191.08679	1.8
191.14279	5.2
192.09288	4.2
192.11189	0.9
193.10133	9.8
194.10902	9.4
195.11681	17.7
196.12537	4.4
197.09601	0.9
197.13261	15.1
198.14040	1.5
199.11169	1.6
199.14868	10.6
201.12814	1.3
201.16364	2.2
203.08464	1.2
203.14288	16.1
204.09413	1.2
205.10150	3.3
206.10878	6.4
207.11720	13.1
207.13832	7.0
208.12379	4.9
209.11615	1.1
209.13271	20.1
209.15118	1.1
210.14061	2.4
211.11140	1.5
211.14787	9.3
212.15514	1.0
213.12749	2.8
213.16353	2.4
215.14331	3.0
216.09346	1.6
217.10159	2.9
217.15880	7.4
218.10989	2.7
219.11739	5.1
219.13644	1.0
220.12434	4.3
221.13264	12.7
221.15416	52.6
222.14005	2.9
223.11397	1.5
223.14827	12.3
224.15576	2.2
225.12877	1.9
225.16386	5.7
227.14355	2.8
227.17982	1.2
230.10909	1.4
231.11801	4.4
231.13802	1.1
231.17435	3.6
232.12488	2.8
233.13284	6.5
233.15439	4.9
234.14018	3.4
235.14833	8.2
236.15631	1.7
237.16487	5.7
238.17104	1.0
239.14438	1.2
239.17967	4.0
243.11684	1.9
243.17546	2.1
244.12540	2.6
245.13217	5.7
246.14082	3.7
247.14851	6.0
247.16956	1.9
248.15666	1.7
249.16403	5.6
250.17270	1.3
251.14288	1.4
251.18042	3.0
253.15903	1.9
253.19505	1.7
255.17447	1.5
257.13333	1.4
257.19028	4.6
258.14072	1.9
259.14755	4.3
260.15665	2.9
261.16357	7.3
262.17047	1.6
263.17889	5.1
265.19464	5.3
267.17438	0.9
269.19101	3.0
271.15344	18.5
271.20340	1.7
272.15753	1.9
273.16437	3.4
274.17197	1.3
275.17892	7.5
277.19516	3.2
279.21112	2.1
281.18948	1.9
283.20554	10.1
285.16147	1.2
286.19415	1.3
287.17514	1.6
287.20200	2.9
289.19547	3.8
291.17746	1.3
291.20847	1.7
293.19055	1.4
295.17593	1.1
295.20724	3.4
297.22165	4.1
299.17657	1.1
303.21030	1.6
307.20660	2.0
309.22043	1.2
311.20328	1.2
317.22778	1.5
319.24426	1.0
329.23007	1.0
331.24084	4.3
333.22263	1.9
343.24286	1.6
347.23535	1.4
349.25375	5.4
351.23138	1.3
352.23856	1.6
357.25885	2.1
361.25177	1.0
365.24933	2.2
375.21722	2.9
375.26871	4.9
403.29974	6.9
452.12411	1.0
491.34976	4.1
503.35287	4.9
509.34354	2.0
547.39368	2.9
565.40332	19.7
583.41510	88.5
584.42084	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83232	0.9
55.05489	1.8
57.75002	0.9
58.65432	1.1
59.05028	1.0
61.02910	1.0
66.36929	0.9
67.05501	3.1
69.03428	1.1
69.07045	1.3
79.05501	2.9
81.03424	2.3
81.07041	3.3
83.04986	0.9
85.02915	1.9
85.37583	0.9
89.06051	1.0
91.03957	2.3
91.05479	4.3
93.07050	3.0
95.08608	1.9
97.02914	1.0
103.05492	1.0
105.07047	5.7
107.08585	2.0
109.06508	1.2
109.10161	1.9
119.08596	2.6
121.10144	2.1
131.08620	1.2
135.08018	0.9
137.06024	1.5
145.10149	1.5
146.40210	1.0
171.10512	1.1
204.10220	2.0
207.09305	1.2
213.10260	1.1
216.10188	3.2
217.10858	1.6
223.12190	1.8
230.11815	3.8
245.10501	2.2
246.11220	1.3
250.13306	1.2
251.11858	3.7
258.11136	1.0
260.11423	1.2
265.12170	1.4
276.12103	1.5
278.12976	1.3
280.14517	7.2
296.13855	1.7
301.11935	2.1
304.11743	13.1
304.14755	1.4
306.16098	3.6
307.16663	1.2
310.24979	1.0
314.12714	1.2
319.12888	4.0
327.13849	1.2
328.14413	2.3
330.16034	1.1
342.16147	2.9
343.13013	3.1
343.16772	1.8
356.17593	4.1
370.19016	1.1
372.13312	1.7
373.14417	1.8
374.14926	3.8
374.19022	1.4
387.15924	2.5
389.16452	1.0
402.18121	10.9
407.18765	1.5
408.20407	1.1
436.18579	1.1
447.19263	1.3
481.22266	2.8
565.23749	1.5
568.23193	4.1
583.25488	100.0
584.25574	2.1
599.46875	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.2
64.20988	1.0
65.03936	3.8
68.71126	1.1
68.99779	6.1
69.03452	1.5
69.54173	2.5
69.54584	6.1
78.23138	1.1
85.02902	3.2
91.05487	2.8
91.40335	1.0
93.03421	2.3
95.04964	2.6
97.02890	4.1
103.05433	1.2
107.04951	4.9
109.02901	2.4
111.04437	4.2
115.05406	1.2
119.04942	3.9
121.02870	100.0
121.06486	1.3
123.04421	2.6
131.04927	2.1
133.06512	1.2
135.04437	3.8
136.82532	1.1
137.06018	1.4
139.03906	3.3
145.06487	1.4
145.17210	1.3
147.04402	4.7
151.03894	3.9
153.01823	2.8
159.04478	1.8
161.05988	2.4
163.03909	19.5
165.01830	5.1
171.04543	1.3
173.05959	2.0
175.03891	4.6
177.01848	3.4
177.05455	4.2
179.03323	2.2
181.05051	2.7
183.02859	1.5
185.06119	1.4
187.03894	4.2
189.01826	4.6
189.05444	2.9
190.70688	1.2
191.03448	2.9
193.05034	2.8
195.02928	6.4
201.05519	2.5
203.03339	6.2
205.05055	6.3
207.02890	7.1
213.05501	2.1
215.03421	5.8
217.04930	7.5
219.02922	8.2
221.04419	2.0
225.03775	1.5
227.03416	1.5
229.04988	7.4
231.02914	11.7
233.04480	5.1
235.06018	2.4
241.04980	3.2
243.02965	6.2
243.06711	2.2
245.04526	2.8
247.05910	5.3
249.03978	5.1
255.02797	1.5
255.06560	1.4
257.04291	2.3
259.06012	4.2
261.03946	14.9
265.07227	1.4
269.04489	2.6
271.06021	5.3
273.03854	8.2
279.05023	1.9
283.05878	1.8
285.03952	8.0
289.07043	2.6
291.05008	9.3
294.05286	1.5
295.06113	5.9
297.03635	1.5
299.05429	1.4
300.03241	1.3
301.07047	3.4
303.04861	2.6
307.05930	2.8
309.06161	6.7
313.07022	3.4
315.04932	3.8
319.08081	1.9
321.07614	2.9
325.07086	3.2
327.05002	3.5
331.08170	2.5
333.05972	5.6
337.06976	3.3
345.05814	5.8
349.07083	3.6
355.07892	1.9
357.05975	2.9
361.06793	2.4
363.07108	7.6
367.08060	1.5
375.07111	6.5
379.08066	10.3
391.08078	2.4
393.08194	15.3
397.09058	5.3
409.09134	8.1
411.09152	13.2
415.10330	2.7
421.08762	2.5
427.10147	9.4
429.10315	1.5
433.09070	5.5
445.10864	5.1
451.10114	2.7
457.11026	3.8
463.10013	4.7
469.11148	3.2
481.11472	9.3
493.10986	3.1
499.12192	2.9
511.12073	7.5
529.13196	3.6
547.14319	2.3
583.21313	1.5
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
53.03949	3.6
53.39294	2.0
55.05507	6.6
57.07077	6.7
59.04998	5.7
65.03946	2.3
67.05502	15.8
69.03432	5.8
69.07066	12.3
69.55342	13.9
71.08636	2.1
79.05495	22.2
81.07053	27.6
83.04987	3.0
83.08622	6.3
85.06547	4.0
91.05486	39.4
93.07045	43.9
95.04967	56.0
95.08620	20.2
97.06545	2.4
103.05473	4.1
105.07034	64.9
106.07836	2.9
107.04978	4.0
107.08592	45.2
109.06564	10.4
109.07206	2.2
109.10159	13.7
111.08080	4.1
115.05479	6.3
117.07027	18.6
119.04929	4.5
119.08585	62.9
121.06519	6.9
121.10152	35.8
122.07295	3.8
123.08071	15.2
123.11719	7.2
127.81878	2.3
128.06226	13.5
129.07016	23.0
130.07802	9.5
131.08568	45.9
132.09381	3.9
133.06514	4.9
133.10144	31.3
135.08049	15.6
135.11722	9.4
137.09624	3.0
138.10437	3.4
141.06996	11.6
142.07794	22.3
143.08565	60.7
144.09343	10.7
145.06487	5.2
145.10129	66.8
146.07269	3.9
147.08037	9.6
147.11668	16.1
149.09624	9.6
151.11197	3.6
153.06993	4.0
154.07777	4.1
155.08559	21.7
156.09352	22.5
157.10138	63.6
158.10925	11.0
159.08084	11.9
159.11693	27.7
160.08891	3.3
160.19405	2.6
161.09636	18.1
165.06978	7.5
166.07718	3.1
167.08546	13.3
167.10699	10.0
168.09380	8.4
169.10146	35.5
170.10927	9.4
171.08073	3.1
171.11681	38.7
171.13000	4.0
172.08865	4.6
172.12503	2.6
173.09647	16.2
173.13232	10.3
175.11208	7.2
177.09149	2.5
178.07884	3.2
179.08566	11.8
180.09377	8.1
181.10132	24.0
182.10938	12.9
183.08141	3.0
183.11702	33.7
184.12482	4.1
185.09657	11.3
185.13237	15.3
186.10413	3.0
186.14304	2.7
187.11223	9.3
187.14865	3.4
188.11909	4.5
189.09160	5.1
189.12758	9.6
191.14316	8.4
192.09329	8.2
193.10167	18.9
194.10895	13.1
195.08015	2.6
195.11714	29.7
196.12514	7.0
197.09642	7.2
197.13261	22.1
198.10428	4.7
198.14053	4.7
199.11189	15.2
199.14839	10.1
200.12000	3.6
201.12756	6.5
203.14281	5.2
204.09364	2.1
205.10104	3.9
206.10948	9.6
207.11707	22.2
208.12451	10.4
209.09648	3.6
209.13278	18.7
210.10417	4.7
210.14088	6.1
211.11272	12.5
211.14803	13.5
212.11948	4.6
213.12741	9.7
213.16373	4.7
215.10696	2.7
215.14397	6.8
217.10194	4.1
217.15866	4.8
218.11047	3.5
219.11694	10.7
220.12502	6.4
221.09735	2.7
221.13264	13.4
221.15146	2.2
222.13969	4.2
223.11264	9.1
223.14758	17.9
224.12042	3.3
225.12845	10.5
225.16422	3.9
227.14368	15.2
230.10919	4.7
231.11688	5.8
232.12531	6.7
233.13246	13.0
235.11162	4.4
235.14778	12.2
237.12727	6.0
237.16457	3.8
238.17226	2.6
239.14330	6.2
239.17918	6.0
241.15872	5.7
243.11705	2.9
244.12471	3.0
245.13156	6.9
245.15436	4.0
246.13991	5.1
247.14865	8.8
248.15605	3.1
249.12798	5.1
249.16469	6.9
251.14351	6.4
251.18004	3.7
253.15858	7.5
255.17438	7.2
257.13132	4.9
259.14868	6.0
261.13025	2.4
261.16241	7.3
263.14331	3.0
263.17990	2.8
265.15741	5.1
267.17538	2.7
269.18979	2.8
271.14581	3.4
271.17145	4.7
273.18570	70.7
276.15207	2.9
277.15939	6.5
277.19327	4.0
279.17432	3.8
281.13245	2.4
281.19037	3.8
285.16287	2.5
286.19321	5.1
287.20154	3.0
289.15939	10.4
289.18997	3.5
291.17755	4.3
291.21103	7.7
299.20145	24.8
301.19537	4.0
307.20538	3.2
309.22055	4.4
319.20377	10.3
325.21622	7.9
334.22961	3.3
337.21631	26.1
345.22330	3.5
351.23029	4.3
352.23965	100.0
353.24521	4.2
357.22299	3.5
363.23120	7.4
364.24326	2.6
365.24622	14.8
376.23877	2.4
390.35443	2.3
401.28268	4.6
406.28424	2.9
429.27811	5.8
434.28098	5.7
443.29736	3.1
444.30237	41.0
445.30850	6.8
490.34689	13.6
526.34039	3.6
582.31305	3.3
582.40619	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	582.4065
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43053	4.8
53.75597	4.6
55.05517	14.0
55.20436	4.8
57.07066	8.4
59.05001	6.4
65.03944	6.2
65.16624	4.7
67.05527	29.4
68.81277	4.8
69.03419	5.5
69.07045	8.4
69.32395	19.3
69.32825	24.9
74.22966	4.3
79.05493	32.0
81.07043	38.8
83.08590	6.0
84.08131	5.0
89.06075	6.0
91.05478	45.5
93.07056	41.5
95.04980	70.9
95.08619	32.5
97.06544	5.6
97.10170	5.2
98.20719	9.7
105.07031	76.0
107.08610	47.4
109.06547	11.8
109.10133	15.1
111.49344	4.8
115.05448	10.3
117.07024	29.5
119.08591	72.9
121.06482	9.2
121.10139	42.7
122.07301	8.5
123.08077	16.6
127.08646	12.4
128.06224	13.5
129.07005	26.6
130.07793	9.0
131.08585	48.4
132.09288	5.7
133.10155	33.2
135.08072	17.9
135.11697	16.3
137.09648	6.5
141.06789	8.1
142.07811	21.8
143.08575	66.0
144.09332	12.2
145.10121	68.4
147.08043	8.4
147.11691	20.6
149.09593	11.5
155.08565	34.3
156.09338	16.0
157.10136	55.3
157.13396	6.0
158.10896	15.6
159.08044	12.2
159.11717	33.4
161.09633	16.8
165.07056	11.9
167.10733	8.2
168.09369	8.8
169.10115	41.5
170.10893	5.9
171.11716	36.1
173.09654	19.4
173.13303	14.6
175.11275	9.7
177.08995	7.0
179.08572	12.0
180.09357	7.7
181.10135	27.6
182.10884	19.9
183.11711	34.6
184.12416	5.7
185.09593	15.0
185.13242	16.4
187.11230	10.5
187.14874	6.0
189.09149	6.8
189.12840	9.8
191.14359	10.1
192.09427	5.9
193.10139	20.4
194.10887	14.6
195.11685	33.0
195.30516	5.3
196.12457	7.6
197.09573	11.0
197.13316	19.5
199.11174	18.8
199.14883	6.2
200.12100	5.2
201.12759	10.9
206.11072	8.5
207.11687	20.9
208.12492	7.4
209.09615	7.9
209.13216	24.6
210.14032	8.5
211.11258	11.1
211.14853	14.3
213.12729	9.8
215.14397	6.6
217.15977	6.8
221.13303	16.5
223.11269	8.9
223.14848	16.4
225.12773	12.8
227.14301	12.8
232.12488	7.3
233.13225	9.6
233.39203	5.8
234.13911	7.9
235.11223	5.5
235.14789	10.7
239.14352	5.5
239.17995	10.1
247.14796	14.3
248.15717	5.0
249.12646	6.9
253.15819	10.8
255.17422	6.9
257.13187	6.5
261.16190	6.0
263.14301	8.8
273.15927	6.1
273.18567	63.8
281.19153	6.9
286.19434	8.4
288.17166	7.2
289.15814	6.9
291.20877	6.9
299.20264	32.4
308.32803	6.7
319.20557	7.5
325.21771	7.9
337.21643	30.5
352.23959	100.0
363.23248	10.7
365.24722	11.4
429.27850	6.8
434.28244	7.7
444.30200	50.5
445.31238	6.9
490.34314	16.1
582.40808	67.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77944	0.6
53.03931	0.8
55.05495	0.9
61.11852	0.8
66.16678	0.8
67.05507	0.9
69.03431	1.2
73.45470	0.6
79.05476	2.5
81.07050	1.0
85.02892	2.2
87.00839	1.0
94.06547	1.9
94.24757	0.7
96.08134	10.8
98.21525	1.7
100.75566	0.8
105.03380	4.9
105.07034	1.2
107.04954	1.8
109.02870	0.9
109.06434	0.9
111.08091	3.2
115.05450	6.6
116.06198	1.2
117.06997	1.5
122.06014	3.3
128.10703	2.4
129.07010	1.3
133.06496	2.5
141.07022	1.0
143.04939	7.0
145.06485	1.8
157.06430	1.7
167.08632	1.1
169.06483	0.9
171.04422	20.9
171.05902	1.0
178.07761	1.6
179.08575	0.7
181.10086	0.9
188.06898	1.1
189.05463	11.0
193.10092	2.2
195.11711	2.0
197.05939	0.7
200.07083	5.8
208.08894	1.0
210.12837	1.2
212.07047	11.2
213.07860	3.0
214.08600	2.0
221.09636	3.3
223.11203	7.1
230.08102	6.6
238.12294	2.7
239.10635	2.1
241.12201	2.5
248.10773	1.5
249.09117	2.4
251.09442	1.0
254.11771	2.0
255.13945	0.8
266.11780	13.3
267.12503	3.6
283.11987	6.3
284.12854	5.6
286.14444	1.0
298.14392	55.3
316.15442	100.0
334.16522	5.6
340.15363	1.1
501.99756	0.8
582.30603	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.4204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	3.6
53.09208	1.0
55.01880	2.2
55.05514	18.6
57.03443	4.0
57.07079	3.8
59.04994	1.2
61.24768	1.0
65.03945	1.7
67.05506	28.7
69.03420	2.9
69.07070	16.6
71.04995	3.1
71.08643	1.6
79.05495	24.8
79.05922	1.9
81.03397	1.1
81.07057	31.7
83.04986	3.8
83.08630	7.2
84.35923	1.1
85.06548	1.8
91.05480	27.9
93.07046	26.7
95.04985	3.2
95.08616	23.4
97.06554	3.5
97.10204	3.0
99.08140	1.8
103.05467	1.2
105.07034	31.0
107.08594	21.6
109.06539	4.4
109.10168	9.8
111.08156	1.6
113.09645	1.1
115.05450	3.0
117.07028	12.8
119.08588	26.9
119.09381	1.9
121.06551	1.0
121.10143	16.8
123.08080	3.5
123.11747	3.6
125.09683	1.8
128.06258	3.8
129.07010	13.1
130.07846	2.1
131.08562	18.2
131.09378	1.2
133.06516	1.1
133.10127	24.7
135.08066	4.0
135.11732	6.6
137.09706	1.4
139.11201	2.0
141.07010	6.1
142.07774	5.4
143.08571	18.3
144.09373	2.0
145.10121	23.1
145.11150	1.5
147.08069	3.3
147.11676	9.5
149.09610	5.3
149.13255	2.3
151.07545	1.9
151.11128	1.6
153.07080	1.4
154.07814	2.5
155.08568	11.7
156.09398	3.3
157.10136	19.9
159.08102	2.3
159.11697	12.8
161.09677	3.4
161.13335	3.0
163.11212	2.3
163.14923	1.9
165.07111	2.2
165.09119	2.1
166.07771	2.5
167.08553	7.9
167.10696	9.1
168.09392	2.1
169.10126	19.0
171.08162	1.3
171.11682	14.2
173.09653	2.2
173.13287	12.9
175.14882	3.1
177.12926	1.4
179.08655	4.2
180.09476	2.4
181.08797	1.8
181.10057	7.4
182.10986	2.6
183.11684	16.8
184.12592	1.2
185.13271	11.9
187.11256	2.4
187.14821	6.4
189.12799	2.0
189.16409	1.6
193.10158	6.7
194.10933	2.8
195.11739	11.4
196.12495	1.7
197.13239	13.3
198.14149	1.2
199.11275	1.7
199.14848	8.9
203.14381	2.5
203.17870	1.1
205.10213	2.4
206.10883	1.6
207.11769	7.4
207.13661	2.5
208.12529	2.6
209.13248	10.5
210.14064	2.0
211.11307	1.7
211.14758	8.3
213.16516	3.5
215.14500	2.1
217.10126	1.3
219.11754	2.6
221.13321	7.1
221.15474	6.4
223.14850	8.5
225.16400	6.9
227.14404	2.3
227.18199	2.5
229.15895	2.1
231.11734	1.2
232.12509	1.7
233.13329	2.6
233.15460	4.5
235.14915	5.0
237.12799	1.7
237.16479	4.2
239.14357	2.3
239.18089	4.0
243.11746	1.8
245.13263	1.5
247.14833	2.8
249.16423	2.6
251.18047	4.0
253.19543	3.3
257.19196	1.3
259.14752	1.7
261.16479	1.6
263.18033	3.2
265.19724	2.5
267.17398	1.2
269.18958	1.3
274.17068	1.3
275.17728	2.2
275.20340	2.0
277.19580	1.6
279.21112	2.4
299.20193	2.7
307.20349	1.4
309.22232	1.6
311.20471	1.5
323.23679	2.0
361.25302	1.5
377.28455	1.7
391.30069	2.0
401.28741	1.3
407.29431	2.1
448.70898	1.3
471.36383	3.7
473.33218	1.4
489.37326	15.4
507.38528	5.1
511.34024	2.2
545.39752	2.1
563.40662	12.5
581.41895	100.0
582.41895	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	581.4199
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	2.3
53.03946	10.6
55.01868	10.7
55.05268	2.1
55.05512	25.4
56.00219	1.1
57.03439	5.7
57.07055	2.1
59.04991	2.0
59.72054	1.3
65.03936	5.2
67.05506	59.0
67.43478	1.2
68.34208	1.3
69.03425	3.0
69.07069	28.1
71.04995	4.0
71.08647	1.5
71.10923	2.4
77.03940	2.5
79.05494	82.8
81.03420	3.3
81.07056	56.4
83.04990	5.6
83.08617	10.3
85.06550	2.1
91.05480	58.3
91.99726	1.3
93.07043	74.8
95.01316	2.1
95.04974	10.7
95.08611	38.4
97.06531	13.6
97.10155	7.0
99.08099	3.1
103.05496	1.6
105.04522	4.5
105.07033	48.9
107.04956	10.6
107.08603	32.5
109.06556	4.2
109.10156	16.7
111.08096	3.5
113.09609	1.7
115.05470	2.2
117.07015	18.7
119.08582	28.9
121.06535	3.1
121.10143	35.7
123.08096	4.2
123.11728	4.0
125.09644	4.8
128.06235	2.9
129.07019	9.9
130.07875	1.3
131.08568	29.0
133.10133	30.2
135.08073	3.1
135.11690	11.8
137.09659	2.5
141.07007	5.2
142.07817	2.2
143.08585	11.8
145.06485	1.4
145.10123	40.4
147.08102	1.5
147.11682	18.6
149.09618	14.3
149.13298	4.8
151.11195	2.4
154.07774	1.8
155.08551	6.2
156.09320	1.2
157.10115	11.7
158.13252	1.2
159.11705	18.4
161.09676	2.7
161.13264	6.9
163.11212	10.6
163.14835	2.2
168.09309	1.5
169.10104	9.5
171.11679	12.5
173.09770	1.6
173.13242	10.6
175.11256	1.3
175.14857	2.9
177.12822	2.3
179.14354	6.8
181.10179	3.1
182.11009	1.7
183.11714	9.7
185.13293	7.2
187.11214	2.5
187.13318	1.3
187.14885	4.1
195.11763	3.0
196.12337	1.1
197.13235	7.2
199.14836	3.7
201.16466	2.1
205.12404	1.7
207.11879	1.8
209.13322	4.9
211.14862	5.8
213.16510	3.5
215.17979	4.9
223.14856	2.0
225.16510	1.8
227.17885	1.8
229.15929	4.5
229.19579	2.6
233.19055	3.0
237.16322	2.2
239.17879	6.7
247.14923	1.4
247.20609	2.6
253.19482	1.5
257.19022	11.8
271.48315	1.2
275.20056	47.7
293.21246	4.3
295.20322	1.7
307.22745	8.7
313.21753	1.8
331.22696	4.2
335.25952	1.6
349.23801	3.6
395.29626	1.3
412.52234	1.5
489.37445	4.0
507.38495	2.5
563.40839	3.6
581.42023	100.0
582.42206	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	581.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.8
55.01869	2.0
55.05265	2.1
55.05515	19.3
57.03439	3.9
57.07087	3.4
59.05004	2.6
59.91786	1.1
60.74424	1.2
63.91102	1.1
65.03947	3.5
67.05511	39.8
68.05937	1.1
69.03439	3.8
69.07072	20.0
69.16566	11.1
71.05032	1.5
71.22906	1.3
77.03909	1.2
79.05500	33.6
81.07062	40.5
81.07535	2.4
83.04994	4.1
83.08627	11.2
85.06564	2.3
91.05484	34.0
91.06018	1.8
93.07052	40.8
95.04992	8.3
95.08609	31.9
97.06519	9.2
97.10192	4.1
97.13989	1.1
98.20793	2.5
99.08092	1.7
105.07040	43.4
107.04972	2.3
107.08593	25.5
109.06522	8.2
109.10161	13.5
111.08090	2.5
111.11801	1.2
113.09670	2.2
115.05463	6.3
116.06283	1.4
117.07022	14.4
119.08586	37.8
121.06556	3.6
121.10152	32.7
123.08076	6.1
123.11737	4.9
125.09653	3.6
128.06207	6.5
129.07018	15.5
130.07809	3.5
131.08559	24.6
133.10138	42.0
133.11098	2.2
135.08061	6.8
135.11687	7.9
137.09648	4.0
137.13263	1.4
139.11215	2.6
141.06998	7.6
142.07811	10.9
143.08575	27.3
144.09369	2.9
145.06442	1.7
145.10130	34.4
147.08080	5.4
147.11690	11.7
149.09642	7.4
149.13287	3.9
151.07567	3.7
151.11227	2.7
153.07007	2.9
154.07846	1.3
155.08577	17.1
156.09375	8.1
157.10130	27.6
157.11304	1.8
158.10957	4.5
159.08112	3.4
159.11723	19.0
161.09679	4.6
161.13254	8.7
163.11224	4.6
165.07089	4.2
165.09193	4.0
165.47841	1.1
166.07813	1.7
167.08557	8.7
167.10684	22.2
168.09418	4.9
169.10143	22.3
170.10925	4.3
171.11693	17.4
173.09651	4.1
173.13277	18.0
175.11159	2.1
175.14900	4.9
177.09096	1.9
177.12712	1.4
179.08643	5.0
179.14369	1.4
180.09395	2.2
181.10179	12.2
181.12270	2.9
182.11064	4.2
183.11719	24.0
184.07610	1.4
185.09674	2.8
185.13295	11.5
187.11198	2.6
187.14813	9.4
189.12759	3.3
191.14346	1.9
192.09361	2.2
193.10143	6.6
194.10995	4.4
195.11726	17.2
196.12585	3.6
197.13268	15.1
199.14819	12.4
201.12843	3.1
201.16435	5.2
203.14357	3.7
205.10155	2.3
206.11009	4.0
207.11754	10.4
207.13640	1.9
208.12462	3.4
209.13268	16.7
209.15161	2.2
211.11191	1.6
211.14836	12.5
213.12828	2.6
213.16429	6.5
215.14389	3.4
217.10237	3.1
219.11768	3.2
219.17545	2.5
220.12465	2.0
221.13319	9.5
221.15472	10.6
223.11192	1.8
223.14873	9.3
225.12845	2.1
225.16380	6.6
227.14449	2.5
227.18073	2.6
229.15913	3.7
231.11624	2.3
232.12617	1.3
233.13303	5.4
233.15511	8.1
234.14029	1.5
235.15016	5.8
237.12764	1.6
237.16490	5.3
237.90286	1.4
239.14340	1.5
239.18051	4.4
241.19691	3.1
244.12778	1.3
245.13263	2.0
246.14075	1.6
247.14900	3.3
247.17117	2.1
249.16516	4.6
251.14391	2.9
251.18112	5.3
253.19826	1.9
257.13367	1.5
257.19089	3.0
259.14902	3.9
261.16458	2.7
263.14325	1.7
263.18060	3.5
265.19580	2.8
267.17380	1.4
271.14938	1.4
273.18713	1.7
275.17743	1.7
275.20377	2.8
277.19519	2.8
279.17703	1.5
279.20999	1.7
279.70834	1.2
281.19229	1.5
283.20407	1.4
285.18710	2.5
289.19281	1.7
291.21152	2.2
293.19043	2.5
295.20496	2.5
299.20413	2.0
311.20200	3.0
312.21167	1.9
323.23727	2.1
327.23471	1.5
335.23926	2.1
347.23633	1.9
359.23807	1.6
361.25168	2.0
367.26401	1.5
373.25223	2.7
391.30023	1.7
401.28299	1.8
407.29443	1.8
471.36530	2.2
473.32883	1.2
489.37372	15.2
507.38632	3.9
511.34192	1.4
525.39874	1.3
545.39471	2.2
553.40601	1.8
563.40302	14.3
581.41748	100.0
582.42352	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	581.3989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.4
55.01838	2.8
55.05507	11.0
56.97247	2.1
57.03415	2.3
57.07058	7.9
59.04992	4.5
65.03951	4.1
67.05177	2.6
67.05505	27.0
69.03419	6.5
69.06799	1.6
69.07075	17.8
69.33451	11.5
69.33858	3.7
71.04989	2.6
71.08636	1.9
79.05489	28.5
79.22033	1.8
79.31443	1.7
81.07056	36.2
81.81291	1.7
82.65433	1.8
83.04977	5.5
83.08605	8.4
85.06544	4.1
87.04469	2.8
89.06017	3.2
91.05482	38.0
93.07046	44.4
93.07638	2.7
93.55031	1.7
94.98038	1.6
95.04987	14.0
95.08607	26.4
97.06518	7.5
97.10191	2.3
98.20803	4.7
98.57628	1.7
103.05432	3.9
105.07034	55.5
107.04939	3.6
107.08591	38.4
109.06521	8.4
109.10162	18.9
111.08077	2.1
111.11711	2.5
113.09628	2.0
115.05463	4.2
116.06186	2.4
117.07014	13.9
119.04926	3.3
119.08588	42.4
121.06490	7.9
121.10141	45.9
123.08060	14.7
123.11716	7.3
125.05932	2.8
125.09620	5.3
128.06247	5.5
129.07013	13.9
129.56670	2.0
130.07809	5.7
131.08568	25.6
133.06546	3.7
133.08629	3.5
133.10139	64.8
135.08047	12.3
135.11713	14.7
137.09621	6.5
139.11136	3.7
141.06969	5.6
142.07784	12.0
143.08560	21.5
144.09329	5.5
145.06458	2.7
145.10133	38.1
147.04425	7.3
147.08051	13.5
147.11687	10.8
149.09628	20.2
149.13287	2.6
151.07518	9.1
151.11156	2.4
153.07033	3.9
155.08525	15.5
156.09306	8.7
157.10139	31.5
158.10905	4.3
159.08037	7.7
159.11682	20.3
161.09602	6.5
161.13280	4.7
163.03909	6.7
163.11185	7.9
165.06937	5.1
165.09097	17.0
167.08522	6.5
167.09218	2.6
167.10686	45.7
168.09335	3.0
169.10144	17.7
170.10893	6.0
171.11697	21.1
172.08815	3.4
172.12558	2.0
173.09686	7.5
173.13281	22.6
175.14857	7.9
177.09184	1.9
179.08614	5.2
180.09373	4.5
181.10141	8.6
181.12231	4.8
182.10889	5.2
183.11726	15.9
185.09685	2.8
185.13239	10.9
186.10344	2.0
187.11206	6.5
187.14851	11.3
189.12737	7.3
191.14293	4.8
193.10149	6.6
194.10941	4.7
195.11678	12.7
195.13565	2.0
196.12436	6.2
197.13301	16.0
199.11194	2.7
199.14818	11.3
201.12775	3.2
201.16423	5.9
203.14310	8.5
206.10890	3.5
207.11700	10.0
207.13760	4.8
208.12451	4.1
209.09573	2.5
209.13350	9.5
209.15263	1.9
211.11206	2.7
211.14818	8.3
213.12781	5.2
213.16302	4.2
215.14316	8.2
217.16043	2.7
218.10661	1.9
219.11755	4.8
220.12479	4.1
221.13245	11.9
221.15399	41.1
222.10396	2.0
222.14098	2.5
223.11343	2.2
223.14838	8.8
224.15523	2.3
225.12891	4.4
225.16399	6.0
227.14395	2.4
229.15996	3.0
230.10951	2.7
231.11739	3.1
233.13258	5.7
233.15393	22.8
235.14819	6.9
237.12820	3.8
237.16418	5.9
239.14388	3.6
239.17940	5.3
241.19553	3.7
243.00372	2.1
243.11722	3.2
245.13295	4.6
246.14015	2.8
247.14853	5.3
247.17064	2.6
249.16547	3.8
251.17834	3.6
259.14838	4.0
261.16403	4.8
263.14175	1.9
263.17944	2.7
271.14554	2.4
272.52158	1.9
273.18561	4.9
275.17703	2.5
275.20438	2.9
277.15854	2.2
277.19611	3.0
281.18787	2.6
289.19470	2.8
303.17575	2.0
303.21298	2.0
311.20111	3.4
315.21161	2.6
347.23703	4.3
359.23700	3.5
373.25162	4.4
393.24106	5.8
399.27258	3.8
407.29434	4.6
425.28275	2.6
525.33276	4.4
553.39844	2.5
555.46619	2.4
563.39075	13.5
581.40051	100.0
582.40369	2.5
594.65082	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	581.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.1
55.01876	3.3
55.05513	15.7
57.07063	7.6
59.04996	3.6
59.18853	1.9
65.03934	5.2
67.05508	27.2
69.03423	8.4
69.07065	18.6
69.40923	3.5
69.41328	10.8
70.55384	1.7
71.90310	1.7
72.01031	1.8
73.21806	2.2
79.05503	22.8
81.07066	33.2
83.04967	3.7
83.08621	7.6
85.06519	2.1
89.06026	2.0
91.05483	33.6
93.07052	45.2
95.04977	13.5
95.08617	30.1
97.06538	9.6
103.05477	2.2
105.07037	78.5
107.04955	5.1
107.08601	33.7
109.06525	8.4
109.10161	16.6
111.08099	3.2
111.11757	2.3
115.05460	6.0
116.06268	3.0
117.07021	15.1
119.08589	50.4
121.06522	8.9
121.10143	53.9
123.08050	16.6
123.11711	6.6
125.09637	3.8
128.06184	8.8
129.07022	11.4
130.07819	7.3
131.08571	24.5
133.06474	3.2
133.10139	46.6
135.08075	10.3
135.11685	13.0
137.09583	9.1
139.07521	2.9
139.11197	2.9
141.06984	5.1
142.07803	16.6
143.08572	28.2
144.09430	3.9
145.06483	2.1
145.10135	38.4
145.11182	3.5
147.08066	13.5
147.11670	11.4
149.09636	18.8
149.13278	2.8
151.07562	12.4
153.06993	3.5
155.08551	15.8
156.09381	11.8
157.10133	37.2
158.10913	7.3
159.08086	5.6
159.11713	18.9
161.09645	7.3
161.13280	5.5
163.11253	5.7
165.07011	4.7
165.09131	25.8
166.07814	2.2
167.08536	6.8
167.10686	37.5
167.12085	2.2
168.09331	5.7
169.10091	16.3
170.10948	8.8
171.11731	19.7
172.12422	3.2
173.09654	6.4
173.13243	16.8
175.11186	2.4
175.14832	8.4
179.08586	6.0
180.09383	4.4
181.10164	12.3
181.12273	5.7
182.10939	6.7
183.11694	15.2
184.12515	2.5
185.09650	3.5
185.13252	12.4
187.11194	3.6
187.14815	14.3
189.12781	6.9
191.08536	3.0
191.14366	2.6
192.09288	5.2
193.10226	8.6
194.10956	7.3
195.11736	12.2
195.13577	2.5
196.12466	3.3
197.09543	2.7
197.13235	15.0
199.11174	5.8
199.14865	8.2
201.12868	2.3
203.08597	1.9
203.14349	8.2
205.02843	1.9
205.10077	3.7
206.10815	4.4
207.11758	10.1
207.13872	5.1
208.12552	5.9
209.13321	11.0
209.15221	3.3
210.14027	2.5
211.11185	4.1
211.14821	13.7
212.11659	1.6
213.12772	4.0
213.16394	4.2
215.14400	5.0
219.11740	5.6
220.12434	2.8
221.13258	8.8
221.15343	45.8
222.13892	3.5
223.11301	3.4
223.14815	9.1
225.12755	5.2
225.16302	2.9
231.11729	4.5
232.12463	4.1
233.13271	6.2
233.15442	14.9
235.14873	7.3
237.12761	4.3
237.16536	4.3
239.14426	3.8
239.17947	5.0
241.16020	2.3
244.12381	2.6
245.13246	3.6
246.14021	2.9
247.14879	5.0
247.17072	2.4
249.12750	3.0
249.16489	4.6
251.14377	2.4
251.18056	2.9
253.19472	3.1
257.19064	3.7
258.14175	3.2
259.14813	5.9
260.15503	2.2
261.16376	6.2
263.18057	5.1
265.19708	2.2
267.20999	2.0
270.13901	2.7
271.14783	3.5
273.16345	5.0
273.53122	2.0
275.20218	2.7
277.19516	5.3
284.15643	2.5
285.16287	3.3
287.20203	2.5
293.18991	2.7
295.20587	2.3
299.20337	4.2
299.23813	1.8
303.20981	3.3
312.20892	7.9
313.19507	2.2
325.19415	2.2
329.22641	2.5
333.22244	2.2
345.25671	2.2
348.57938	1.9
359.23550	3.9
373.25510	4.7
407.29526	3.5
538.79083	1.9
553.40466	3.6
563.39014	15.0
576.43195	2.3
581.40009	100.0
582.40686	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	580.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03960	2.1
53.03930	3.2
55.01871	2.2
55.05504	5.1
57.03417	2.5
67.05514	12.1
68.01585	2.1
69.03423	5.4
69.07071	11.3
70.67595	4.5
70.67933	2.7
71.05002	4.4
72.72353	1.8
73.02898	2.5
79.05488	5.7
81.03414	8.9
81.07065	25.8
83.04957	2.5
83.08617	5.6
85.02922	10.7
87.00824	4.8
91.03949	3.7
91.05481	4.0
93.07041	12.5
95.08611	28.8
97.02893	5.6
97.06525	6.0
97.10175	7.4
99.04459	3.4
105.07018	7.7
107.08595	14.0
109.02852	5.5
109.10165	17.2
111.08073	7.5
113.09646	2.1
116.35908	1.9
119.08595	3.8
121.10136	21.3
123.11696	14.8
125.09621	6.1
127.03919	7.1
127.08685	2.7
133.10135	6.0
135.11682	13.6
137.09540	2.1
137.13281	3.8
139.11208	2.1
145.04961	2.7
145.10089	2.5
147.04317	2.8
147.11697	6.2
149.13251	8.9
151.11124	3.0
159.11684	2.8
161.13278	5.1
163.14769	11.0
165.12822	2.1
169.12175	2.4
173.13264	2.8
187.14790	2.4
223.16853	2.6
229.14336	3.7
235.11211	2.2
243.21097	12.9
261.22058	17.4
275.40604	2.0
279.23206	100.0
297.24268	24.5
383.24207	2.7
427.16785	4.2
580.28387	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	580.333
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39213	1.1
50.41730	1.1
53.03935	2.9
55.01868	3.3
55.05514	13.1
57.03435	1.6
57.07073	1.2
59.04994	1.7
61.02928	1.8
67.05506	11.0
69.03433	7.1
69.07069	21.0
69.23584	7.8
69.24001	4.5
71.04975	3.6
74.89394	1.3
79.05498	9.1
81.03431	6.8
81.06602	2.0
81.07058	33.5
83.08620	7.8
85.02914	11.8
85.06522	1.8
87.00813	5.8
91.05461	3.8
93.07050	16.1
95.08609	30.4
97.02891	4.8
97.06522	4.4
97.10168	15.7
98.21515	2.9
99.04440	2.9
105.01869	2.3
105.07007	3.3
107.08585	14.7
109.02866	4.8
109.10154	30.0
111.08122	3.0
111.11709	3.9
117.07080	1.4
119.08572	4.0
121.10141	24.2
123.10844	1.9
123.11713	27.3
125.09576	3.9
127.03913	7.3
127.08682	1.7
133.10092	3.7
135.11700	13.7
137.13277	7.4
139.11163	4.0
141.06589	2.7
143.08493	1.3
145.04988	1.9
145.10068	2.2
147.11707	4.1
149.13231	5.9
151.11214	1.9
151.14790	3.3
153.12711	4.6
157.13426	1.8
161.13249	4.1
163.14771	6.0
165.12788	2.5
169.12225	1.9
169.15895	1.6
173.13217	1.4
177.16344	1.3
179.14348	2.7
183.13820	1.8
191.07071	1.5
197.15286	2.9
203.17918	1.8
223.16884	2.2
233.15181	1.3
233.22430	2.7
243.21030	9.3
251.23630	7.9
261.22113	20.2
279.23181	100.0
280.23438	1.8
297.24243	53.9
302.84064	1.5
315.25479	6.3
359.18591	1.7
467.28433	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	1.2
67.05481	1.0
70.06589	0.8
71.48086	0.9
72.08137	1.4
79.05500	1.3
80.05016	2.3
81.03484	0.5
81.07061	0.8
82.06573	2.3
83.07372	0.9
84.04504	0.9
84.08144	1.3
91.05461	0.9
93.07034	0.9
94.06567	1.6
95.04952	0.7
95.07344	3.7
96.08144	2.0
97.02892	0.5
97.06554	1.1
98.06075	0.5
98.09707	0.5
99.08126	0.6
100.07612	2.7
105.07022	1.1
106.06553	1.1
107.07388	0.8
107.08598	0.8
108.08127	1.4
109.05275	0.6
110.06059	0.5
110.09703	1.2
119.04958	0.6
119.08568	1.0
122.06036	2.7
122.09679	1.0
123.04431	1.1
123.06835	1.0
123.10462	0.7
124.07602	2.5
126.09161	2.8
127.03938	0.7
131.08601	0.5
133.06491	0.7
134.09671	1.2
135.04388	0.6
135.06805	1.3
136.07591	1.8
136.11238	1.5
137.06000	1.3
138.05540	0.7
146.09755	0.7
147.04407	1.6
148.07570	0.9
150.05547	1.3
150.06679	0.5
150.09206	0.9
151.06305	1.5
152.07060	1.5
152.10689	0.5
160.11230	0.8
163.03934	1.5
164.07083	3.1
164.08307	1.1
164.10742	1.0
166.08562	0.6
174.09111	0.5
176.10757	1.1
177.07849	1.1
178.08691	1.0
178.12222	2.4
179.09418	0.8
182.08060	1.0
188.10767	0.7
190.08667	0.7
191.03462	1.6
192.06564	2.4
192.10213	1.6
192.13916	0.7
193.11101	0.8
202.12283	0.6
204.13879	0.7
205.10829	0.7
206.11761	4.6
220.09761	2.0
220.13292	1.1
221.10522	1.9
224.12810	0.8
232.13361	0.7
249.13609	1.0
250.14406	4.7
268.15573	0.7
284.09222	1.3
302.10440	1.0
311.05566	0.6
312.08835	0.6
366.13635	0.8
382.16644	1.1
428.17081	15.5
446.18134	47.1
447.18466	1.1
464.19244	4.8
515.66943	0.5
544.18292	4.0
562.19232	23.6
580.20276	100.0
581.20422	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	579.2604
Annotation	Phellophyll a
Peak:m/z	Relative Intensity
50.91629	0.9
55.05515	1.4
57.07078	1.0
63.97849	1.1
67.05503	6.9
69.07056	1.4
71.08635	1.5
71.49918	1.1
79.05489	1.4
80.70284	1.0
81.07051	4.7
91.05471	2.0
95.08636	3.5
96.53237	1.2
105.07047	1.7
107.08594	0.9
109.10164	3.1
113.00008	1.2
119.08566	1.3
127.53488	1.0
133.10124	1.0
135.91144	0.9
138.27943	1.1
169.02722	1.3
169.86302	1.0
337.16083	1.0
377.17786	1.9
379.19388	2.7
390.18503	1.7
391.19608	1.6
393.20889	4.1
404.20032	2.2
405.20871	2.9
406.17899	1.3
407.18048	1.6
407.22903	2.3
421.20273	6.3
435.17325	8.4
435.23016	2.1
436.22601	12.6
447.22284	2.0
448.19238	2.8
449.19275	10.7
450.24442	1.2
460.22470	1.4
462.20392	1.8
463.21286	9.8
464.21982	2.6
467.37479	8.8
475.21179	13.5
477.22806	4.1
491.24362	3.0
492.21426	17.2
501.22998	2.2
503.24326	2.8
507.27655	1.5
519.24084	3.4
523.27112	9.9
533.25537	2.4
535.26776	4.7
551.26593	26.7
552.27393	1.2
561.25305	1.5
579.26062	100.0
580.26233	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	579.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57306	7.5
55.01856	19.4
57.36163	7.0
68.99768	7.4
69.03426	26.9
70.61443	18.7
70.61783	13.6
73.02952	8.3
81.03418	31.2
85.02909	73.9
87.00825	22.5
91.05460	16.8
92.53964	9.1
95.73112	8.1
97.02896	25.3
97.06541	9.0
99.04433	10.5
104.17824	7.4
105.01860	9.2
109.02878	20.1
119.04948	15.7
122.03613	11.6
124.78806	8.6
127.03930	34.1
129.06999	13.8
137.05981	100.0
145.04924	9.7
149.05960	11.2
151.03909	28.1
151.04988	9.6
151.07545	63.3
157.06554	9.9
161.05991	16.4
161.09575	10.9
163.03802	13.2
163.07538	28.5
170.86763	7.8
175.07536	22.4
189.09161	24.3
195.08153	9.3
195.10085	11.3
203.07002	12.7
209.08002	16.2
219.10245	10.4
227.10687	17.8
249.11166	14.2
255.10176	14.4
265.08511	13.1
285.11188	11.1
287.12915	27.5
297.07526	9.2
297.10977	13.6
299.12787	16.2
309.11246	24.6
311.12735	17.7
313.14453	30.5
329.13907	10.7
331.15497	50.9
335.12732	13.7
341.13779	18.9
343.15372	16.4
355.15164	8.4
421.16458	15.7
535.22351	12.0
561.20215	10.6
579.23932	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	578.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.5
55.01868	3.0
55.05504	3.1
57.03447	1.8
57.07073	1.8
59.92978	0.9
61.02905	1.1
61.04829	1.0
67.05512	10.6
69.03447	7.4
69.07064	3.5
69.31725	2.1
69.32126	7.7
71.04996	3.4
73.02904	2.6
79.05486	5.1
81.03427	10.5
81.07060	45.9
83.08626	2.2
85.02909	19.1
87.00834	7.9
91.05486	3.4
93.07047	16.1
95.05015	1.6
95.08607	23.9
97.02913	8.1
97.06557	1.1
97.10175	3.1
98.38729	1.0
99.04464	4.4
99.08131	1.0
103.27053	1.0
105.01849	5.2
105.07037	4.2
107.08592	8.5
108.04514	1.1
109.02888	8.4
109.10165	27.0
111.08128	1.8
111.11695	1.5
113.09637	2.6
119.08578	2.8
121.10158	16.6
123.11712	100.0
126.05499	1.0
127.03931	11.7
127.11198	1.1
133.10136	5.5
135.11691	6.7
139.11180	3.6
145.04941	4.4
145.10181	1.1
147.11720	2.2
149.13283	8.0
151.11185	3.0
153.12749	1.0
159.02902	4.8
161.13251	5.0
175.14748	5.6
187.13292	20.6
191.17932	1.4
203.12846	1.9
231.04973	2.1
231.18742	1.7
231.21103	36.4
249.22159	88.7
259.20648	4.0
267.23181	6.3
277.21634	9.5
295.22708	49.6
313.23694	4.4
341.72772	1.1
388.18481	1.0
476.33862	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.8
55.01842	1.0
57.03403	1.9
59.08316	0.6
60.08118	2.4
61.02885	2.0
61.61058	0.5
69.03429	7.4
70.06578	0.8
71.04967	1.0
71.48466	0.7
72.08121	1.0
73.02874	1.8
73.06525	0.5
76.34115	0.5
80.64588	0.5
81.03413	3.8
85.02910	14.2
85.07672	26.8
87.04451	1.2
91.03959	0.6
97.02898	6.0
99.04417	1.2
107.04919	1.7
109.02823	2.0
115.08675	1.3
117.05179	0.5
123.04404	1.0
127.03931	3.3
134.05971	0.5
135.04420	2.9
135.29025	0.5
137.05933	1.9
138.05461	1.3
145.04955	3.1
147.04433	0.6
149.00522	1.7
151.02081	1.6
153.00029	1.4
155.01616	39.6
157.12161	0.8
157.13380	11.5
161.02342	0.7
161.04684	2.2
162.03099	1.7
163.03918	26.5
164.04672	4.4
165.05557	0.6
167.01639	5.6
169.03191	0.9
179.01637	7.0
179.99693	0.7
180.01158	9.9
180.06505	1.3
194.02724	4.7
197.02682	28.7
206.81917	0.6
209.06410	0.6
220.00615	2.2
222.02232	3.9
240.03258	11.9
247.12807	1.3
257.05923	6.9
263.18939	0.6
266.01147	3.3
282.07889	4.8
299.10605	73.4
300.10910	0.7
302.26740	0.7
319.18692	1.7
326.06619	0.6
343.09525	1.2
352.34305	0.6
353.14911	0.7
371.16360	8.6
415.15506	0.9
533.21667	100.0
534.22119	3.4
577.20648	50.0
578.21014	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.2
56.05049	1.0
57.07059	2.2
59.04998	2.7
62.30981	0.9
67.05514	2.3
71.40863	1.3
71.41204	2.0
79.05495	1.5
81.07061	2.2
83.08638	1.3
88.66734	1.0
93.88826	1.0
95.08586	2.4
105.07038	3.8
107.08618	1.1
109.10159	1.6
117.07001	1.1
119.08553	1.0
127.08688	3.0
129.57898	0.9
131.08563	1.5
141.06624	3.6
142.06931	1.4
143.08617	1.1
151.71074	1.0
155.21809	1.3
157.13347	2.1
166.57388	1.0
183.20647	1.1
247.09758	1.5
288.16995	1.6
289.17358	1.3
359.47375	1.1
577.38660	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	575.6127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00322	2.2
53.03945	3.2
55.05513	43.7
56.05847	2.3
57.07078	70.9
58.07422	2.8
62.61369	1.6
62.77701	1.8
65.03934	2.4
67.05508	67.8
68.05821	3.4
69.07072	63.1
70.07416	2.1
71.04975	2.8
71.08636	59.8
71.49825	3.1
72.08953	1.8
72.95940	1.6
79.05502	19.3
81.07060	91.9
82.07384	3.1
83.04960	2.3
83.08624	51.8
84.08961	1.8
85.06537	3.6
85.10188	34.1
87.04472	5.5
91.05516	11.5
93.07044	18.6
95.08611	100.0
96.08926	3.3
97.06536	2.6
97.10172	43.5
99.11739	4.6
105.07034	4.6
107.08621	9.0
109.10163	54.7
111.11728	31.2
113.13341	3.0
113.44044	1.8
119.08552	5.9
121.09246	1.8
121.10116	9.8
123.11729	22.6
125.13297	12.8
133.10161	3.7
134.10542	2.1
135.11697	5.7
137.13252	11.7
139.14845	3.1
143.17117	1.7
147.11693	4.0
149.13298	2.8
151.14816	10.1
152.23105	1.9
153.16370	2.8
154.94917	1.9
161.13208	3.7
165.16399	6.7
173.13231	2.1
178.91118	1.7
179.17955	3.8
197.19522	1.9
239.23761	3.1
263.23703	3.5
291.42053	1.9
313.27335	3.0
482.39124	8.4
540.43433	5.4
557.60297	11.5
575.41742	3.6
575.50165	59.3
575.60754	9.1
576.08148	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	575.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07409	4.7
55.01868	21.5
57.03436	8.2
57.49997	4.1
61.12564	5.1
68.99792	6.5
69.03428	29.2
71.49421	9.0
81.03383	6.7
83.04958	6.8
85.02907	85.4
85.09954	5.5
87.00832	35.8
87.04476	7.2
91.05505	8.1
97.02892	41.0
105.01862	8.7
105.07046	12.7
111.04420	5.9
115.03942	53.0
121.06551	6.5
122.03631	6.0
129.01857	4.7
131.04939	7.9
134.80231	5.4
135.04439	6.8
135.08070	8.4
137.06003	65.6
146.03619	7.9
147.04428	6.0
149.06004	10.4
151.03917	61.0
151.05009	10.3
151.07620	5.5
153.05602	7.0
153.07034	5.3
160.05255	6.8
161.06006	22.8
163.07588	20.5
169.06538	6.0
173.06032	7.0
175.07568	25.5
185.05995	6.9
186.06639	7.4
187.07574	10.2
191.07011	23.7
201.03964	11.3
201.09233	7.3
203.07080	24.3
205.08649	17.1
209.08092	20.0
211.07489	10.0
213.09163	9.4
215.07011	14.9
217.08670	5.2
219.04962	15.6
219.08113	9.3
223.06001	100.0
225.09181	6.9
226.04755	5.7
229.08499	6.3
230.07259	6.0
233.08148	8.4
235.07564	9.5
237.09190	7.3
239.07031	7.2
245.08102	13.3
249.05528	5.5
249.09149	12.8
251.07043	8.9
253.08636	6.2
254.09663	6.3
257.08069	17.3
259.07422	7.6
261.09225	8.0
263.07117	8.9
263.10614	8.7
264.07806	13.5
265.08578	13.5
271.07718	7.2
273.08963	7.2
275.06812	5.8
276.07880	10.2
277.08551	29.4
278.09250	6.1
279.06601	8.4
279.10321	7.6
280.07504	6.8
285.11462	7.9
288.07938	8.8
289.08713	9.3
290.09314	5.9
291.06616	5.8
291.10132	15.6
292.07263	8.5
293.08142	8.5
294.08960	13.8
295.09628	24.3
297.11331	11.8
300.07819	9.6
303.10135	9.8
305.08078	20.5
305.11563	10.7
306.08771	7.0
307.09778	30.3
309.11212	31.6
311.09305	8.2
311.12729	7.5
315.10147	14.5
318.08716	6.8
319.09683	12.7
321.11234	23.2
323.09174	44.2
325.10666	8.8
327.12341	10.1
331.09552	9.0
333.11249	14.8
335.09027	14.9
335.12854	7.6
336.09821	8.9
337.10648	17.7
339.12466	11.4
343.09570	10.0
347.09097	7.5
347.12793	16.8
349.10764	30.4
351.12289	36.6
355.11847	31.2
357.13455	16.7
361.10657	12.9
363.12268	18.0
365.13916	10.9
366.11581	5.6
367.11902	43.8
369.13351	27.4
375.12186	37.9
379.11850	17.4
381.13348	42.6
383.14926	7.5
389.13849	8.0
393.13364	25.6
403.11649	6.1
407.15112	8.1
411.14386	15.6
417.13467	38.8
435.14429	71.6
453.15381	21.2
471.16504	12.7
495.16400	6.6
521.14276	11.9
539.15350	21.8
557.16626	18.4
575.16364	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	574.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73460	3.3
53.03949	7.0
53.24832	3.5
54.25609	3.6
55.01891	4.4
55.05510	14.2
57.03435	8.7
57.07078	48.3
59.04999	6.3
66.90430	4.4
67.05512	44.7
69.07073	19.9
71.05006	4.1
71.08629	26.2
71.09927	3.5
71.49340	5.0
79.05499	27.3
81.03423	91.2
81.07066	46.6
82.07402	10.5
83.04997	7.8
83.08628	14.0
85.10187	17.2
87.04478	70.6
89.06055	6.1
91.05483	17.2
92.05807	3.8
93.07040	25.0
95.08615	36.5
97.06551	5.3
97.10191	8.6
105.07043	16.1
107.04982	5.4
107.08614	12.3
109.06548	3.8
109.10171	16.5
111.04491	6.0
115.05453	8.5
117.07066	5.2
119.08598	9.8
121.10136	6.9
123.11691	6.5
131.08604	10.5
133.06522	19.0
135.11711	8.3
149.09622	20.7
163.11183	6.7
173.13168	4.8
177.09106	66.7
191.10707	5.7
203.89273	4.2
209.11760	4.5
211.88019	4.1
234.87962	3.6
251.12793	25.6
283.15390	37.8
313.27368	100.0
489.35599	22.2
521.38495	7.2
539.39441	5.6
574.39935	8.8
574.48920	41.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72197	1.1
55.01854	1.2
63.09414	1.0
69.07067	10.0
74.23410	1.0
77.53162	1.0
77.96693	0.9
81.07034	1.7
85.02883	1.5
85.06528	2.3
86.09707	88.5
88.35847	0.9
89.03700	0.9
91.05499	1.3
94.04178	1.8
97.06517	1.0
103.03004	0.9
105.06995	2.4
106.90105	1.0
115.05515	0.9
122.03651	4.1
122.09669	2.6
127.03847	1.1
132.10202	26.7
133.06456	1.9
137.05983	45.6
147.04405	1.2
148.11150	1.4
149.42117	1.0
151.07529	1.4
154.84502	1.0
160.34291	0.8
161.05994	14.2
162.06689	1.6
163.07619	1.2
166.07771	2.8
174.06798	1.1
175.07611	1.1
179.08511	1.2
179.59215	1.0
187.07550	0.9
191.08545	2.2
194.07260	7.0
195.08139	1.0
203.07048	14.6
205.06491	7.8
207.08087	1.4
208.08810	1.0
209.09575	2.2
215.07014	5.7
219.08015	4.9
221.05930	2.4
222.06769	9.5
233.05974	2.8
233.08115	3.0
234.06631	0.9
236.08270	2.2
237.09171	16.2
239.06883	1.2
247.07559	2.9
250.06198	6.3
251.07121	2.5
251.10660	3.0
254.09378	3.2
261.08759	4.0
262.09091	2.4
264.07855	3.2
265.08618	41.2
266.09299	2.4
267.06412	2.0
269.11981	1.1
275.07040	2.4
279.10217	8.7
282.08951	4.9
290.25598	1.8
292.07233	3.8
297.11221	100.0
298.11462	1.4
300.15726	1.2
307.09650	28.9
311.09558	1.3
311.12775	8.7
321.11221	2.0
324.09677	1.7
326.18420	1.3
339.12274	77.1
340.12622	1.0
392.18530	1.7
424.21240	28.8
425.21469	1.6
436.19061	1.2
437.18857	1.8
442.34503	1.1
470.21735	2.7
484.23398	1.1
528.21802	1.7
574.27307	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	573.5089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.3
53.55865	2.0
55.05512	44.7
57.07078	24.1
59.16682	2.3
65.03908	2.5
67.05508	62.5
69.07068	70.6
69.34126	4.1
69.34530	14.6
71.04991	7.2
71.08644	11.6
78.83914	1.8
79.05495	27.1
81.07059	98.7
82.07417	2.3
83.04965	4.2
83.08621	54.4
85.06528	6.5
85.10201	11.4
87.04475	3.1
89.06028	19.3
91.05489	19.8
93.07047	32.9
95.04956	2.5
95.08610	99.4
96.08939	2.4
97.06525	11.5
97.10167	60.9
98.21574	3.8
99.08076	5.5
105.07036	35.6
106.07387	4.5
107.04949	2.4
107.08593	21.7
109.10155	43.0
111.08105	12.8
111.11721	22.9
117.07016	3.0
119.08585	17.4
121.06509	6.6
121.10143	32.8
123.08064	3.3
123.11712	21.1
124.12077	1.9
125.09608	6.2
125.13258	7.7
131.08522	3.2
133.08612	6.6
133.10136	17.9
135.08101	2.6
135.11685	31.9
137.09607	5.2
137.13226	10.3
139.11185	4.9
139.14786	3.1
141.09070	2.7
145.10083	4.1
147.08058	2.6
147.11681	10.6
149.09602	3.4
149.13261	8.4
151.11183	4.7
151.14821	9.0
153.12704	4.0
157.12294	3.4
161.13251	10.7
165.09100	2.5
165.12743	7.7
169.12111	2.1
175.14819	5.7
179.14253	3.1
189.16360	2.4
191.17941	2.2
193.15947	2.2
193.19495	3.8
215.17848	2.5
217.19533	31.5
235.20567	45.6
239.23788	4.1
249.18456	2.8
251.20097	8.3
251.37978	1.9
252.20389	10.1
253.21638	100.0
256.26349	11.1
267.26804	5.8
270.21506	3.2
271.22696	39.5
285.27902	28.0
291.23245	3.0
313.27295	8.7
324.02948	2.2
420.49915	2.3
573.48975	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	573.4878
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.9
55.05520	26.2
57.07080	40.3
66.84649	2.6
67.05507	55.0
69.07073	23.9
69.23023	26.0
71.08630	30.2
79.05488	29.9
81.07059	52.8
82.19382	2.5
83.08616	23.5
85.06521	2.5
85.10188	16.0
87.04480	3.7
91.05486	19.2
93.07059	41.8
95.04963	4.2
95.08608	51.9
97.10155	14.2
105.04500	3.5
105.07041	14.9
107.08598	20.5
109.10168	20.1
111.11744	5.2
117.07028	3.7
119.08589	11.9
121.10151	19.7
123.11713	10.1
131.08568	8.3
133.10153	6.1
134.38434	2.6
135.11708	8.8
145.10147	4.1
149.13301	5.3
159.11736	4.2
161.13301	3.8
173.13315	4.4
182.77592	2.7
215.25670	2.5
223.78465	3.1
239.23688	4.6
261.22147	7.8
313.27408	9.0
317.24838	9.1
331.07483	2.7
567.90759	3.3
573.48767	100.0
580.33948	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42080	4.2
50.48111	4.1
53.04618	3.7
55.05513	8.6
56.06900	3.6
57.07060	4.3
58.85896	3.9
61.02923	3.8
67.05525	8.5
69.03424	11.3
69.07056	15.8
70.80537	11.9
71.04983	5.3
73.02940	4.4
73.73123	4.2
79.05504	7.3
81.03407	9.7
81.07046	18.1
83.08607	5.9
85.02914	20.9
85.06540	46.5
87.00799	5.8
87.03746	3.9
87.33482	4.8
91.05450	11.0
93.07036	13.2
95.08598	18.1
97.02888	13.2
97.06520	13.1
98.21399	4.7
105.07048	14.3
107.07353	8.3
107.08580	19.8
109.02914	6.7
109.10168	33.7
119.08575	13.6
120.08109	5.8
121.10129	27.3
122.09678	55.6
123.11687	14.4
127.03897	8.4
129.64622	4.6
131.08582	10.1
133.10133	12.0
135.11691	8.2
137.05927	5.3
145.10115	8.1
147.11647	10.7
148.11198	16.7
149.13257	5.4
154.21407	4.8
159.11693	17.9
161.13219	12.4
163.11186	4.2
164.06981	5.5
173.13200	4.5
175.14737	7.1
176.10698	22.9
189.16292	6.9
202.07419	12.2
203.17903	3.7
206.26465	3.9
215.17880	8.1
217.09715	6.5
224.20587	4.4
231.21112	7.4
233.09317	5.5
261.08725	100.0
271.24179	18.8
287.10223	9.0
289.25195	37.9
307.26324	17.6
310.21359	3.9
364.37051	5.6
364.67380	4.0
390.18057	7.2
398.17111	14.6
436.18677	38.4
533.27374	5.5
546.51489	4.5
573.26660	39.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
55.01867	0.9
55.05518	4.8
57.07081	24.7
59.04995	2.0
65.03949	1.0
67.05246	0.9
67.05511	10.6
69.03387	0.9
69.07076	6.6
71.04974	0.8
71.08637	46.7
71.49256	1.3
73.06537	2.7
74.85225	0.8
79.05495	7.1
81.07067	9.6
83.04972	1.6
83.08630	4.4
84.70637	0.8
85.09681	0.8
85.10193	23.1
87.04475	14.8
89.06039	100.0
91.05489	19.4
93.07050	15.1
95.04964	3.7
95.08620	11.6
96.08925	1.4
97.06532	2.0
97.10155	3.2
103.05476	3.2
105.04488	1.5
105.07040	7.6
107.04966	4.3
107.07069	1.6
107.08596	5.6
109.06518	1.2
109.10165	5.0
111.11723	1.7
117.07039	4.6
119.04932	3.6
119.08583	7.7
121.06514	32.9
121.10155	7.3
122.10458	2.0
123.08078	1.7
123.11765	1.2
127.14836	1.5
129.07047	1.1
130.08556	2.0
131.07060	2.5
131.08560	3.9
133.08614	52.7
133.10152	4.0
135.08099	5.1
135.11682	3.9
137.09679	1.1
137.13219	1.5
145.10170	2.6
147.08078	8.4
147.11723	2.1
149.09630	6.5
149.13245	1.4
150.06747	2.7
151.11160	1.2
161.09579	1.2
163.07523	1.1
163.11189	4.0
164.08325	1.2
165.09123	16.4
167.10648	1.2
175.09579	1.2
177.11241	12.9
177.12703	1.6
184.07330	1.7
191.10715	2.0
193.12263	1.3
209.11748	6.5
211.13370	1.0
235.20743	0.9
235.59540	0.9
239.23752	1.2
247.20630	17.0
249.18497	1.6
250.18810	1.7
251.20067	3.9
252.20461	3.6
253.21701	1.8
256.26364	2.1
261.22144	2.6
273.22147	2.6
289.25150	1.8
291.23203	29.3
292.23740	1.0
335.25842	2.1
342.20004	0.9
418.09656	0.9
447.25983	1.1
573.41040	2.1
573.48596	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	573.327
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97999	4.2
53.03938	4.4
54.53804	3.7
55.01857	8.6
55.05503	9.0
57.12802	3.7
60.38067	3.6
61.52406	4.5
67.05498	11.0
69.03438	18.7
69.07060	18.8
69.23197	17.1
69.23636	20.5
69.59671	3.6
71.04992	11.3
73.91366	3.7
79.05509	7.2
81.03422	13.0
81.07067	29.0
81.21982	3.8
83.08613	15.0
85.02908	36.0
85.06017	5.5
85.06541	98.0
86.09727	24.1
87.00826	18.0
88.39315	4.0
91.05466	4.0
93.07041	13.9
95.08596	31.7
97.02885	15.0
97.06540	21.5
98.21514	10.4
99.04443	9.5
103.07576	5.5
105.01870	14.7
105.07035	17.9
106.06547	8.4
106.15775	3.8
107.07323	12.2
107.08568	21.3
109.02873	10.5
109.10157	42.9
111.08083	6.0
113.58868	3.5
119.08577	25.9
121.10146	26.4
122.09690	52.2
123.11703	17.4
123.17104	4.2
127.03938	27.8
132.10255	9.1
133.10112	19.7
135.11676	17.7
137.05954	11.5
137.13268	9.5
145.04939	11.2
145.10187	9.6
147.11694	22.9
148.07660	5.0
148.11241	20.8
149.13234	9.7
159.11696	11.5
161.13263	25.8
163.14841	10.4
173.13286	8.9
175.14819	13.2
176.10732	26.7
179.14317	7.3
187.14922	4.7
189.16345	9.6
201.16360	6.8
202.07474	5.4
203.07091	6.8
203.17969	12.5
215.18004	7.7
217.09827	5.4
217.19623	4.3
221.19041	11.4
229.19559	8.0
231.04977	5.4
231.21051	9.3
233.19063	5.0
237.09033	4.6
249.06151	5.6
261.08728	100.0
265.08548	8.6
271.24197	36.2
287.10522	4.3
289.25290	86.0
297.11151	21.5
307.09766	4.9
307.22995	6.8
307.26266	36.0
325.27646	5.3
339.12183	17.3
343.12601	4.2
361.14209	5.1
362.18610	6.0
390.18164	24.8
392.20053	4.9
398.16989	19.6
418.17661	12.5
436.18704	46.7
452.18033	4.9
527.26349	18.4
555.25830	17.1
573.27112	42.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56116	6.0
53.03948	12.5
55.01860	12.1
55.05501	14.7
57.03438	7.4
57.07073	5.5
59.05013	5.9
67.05493	22.6
69.03432	53.6
69.07056	15.3
69.74219	33.9
71.04990	23.5
72.08136	7.6
73.06554	32.9
79.05500	7.6
81.03409	39.1
81.07050	19.3
83.08611	17.2
85.02904	92.0
85.06543	100.0
86.03252	6.1
87.00829	42.5
91.05482	13.6
93.07042	20.2
95.08616	41.0
97.02895	71.3
97.06535	29.2
98.03210	13.8
98.21443	8.3
98.26891	5.7
99.04472	29.0
105.01861	28.7
105.07008	27.0
106.06572	49.0
107.06925	21.8
107.08585	33.3
108.08057	7.1
109.02892	22.3
109.10181	45.0
119.08588	19.1
121.10134	37.7
122.09662	22.5
123.11738	28.8
127.03926	89.6
128.04272	17.4
131.08598	11.1
132.04788	11.7
133.05182	10.7
133.10155	21.0
134.04366	22.0
135.11711	10.4
137.13286	6.4
145.04974	41.0
145.10197	13.7
146.05362	11.3
147.11697	18.1
148.11250	9.8
149.13246	8.6
159.02873	9.3
159.11708	25.2
161.13298	20.2
163.14828	8.2
173.13278	21.8
175.14806	16.3
176.10689	20.6
186.12779	6.9
187.14888	11.4
189.16426	9.7
191.10732	6.5
201.16365	10.1
203.18044	14.0
217.09828	10.1
219.09622	6.8
229.65089	5.7
231.04941	36.3
231.21140	11.6
232.05266	14.1
233.19220	6.4
249.06105	17.2
251.06528	9.8
261.08704	64.6
271.24207	38.5
289.25250	87.4
307.26270	44.7
325.17343	11.1
390.18207	16.8
398.17163	8.2
418.17560	23.3
430.23770	7.5
436.18631	22.2
467.15863	7.7
468.15686	8.5
527.26764	12.1
555.25952	7.8
573.27893	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	7.9
55.05502	19.5
57.03433	15.0
67.05500	17.0
69.03435	55.6
69.07072	19.0
69.72240	5.4
69.74713	14.8
69.75123	16.4
70.03761	6.5
71.04992	16.0
72.08154	7.4
73.02933	6.4
73.06560	42.7
74.06892	11.6
79.05495	9.4
81.03423	50.6
81.06648	6.4
81.07040	25.9
82.03760	13.0
83.08614	10.1
85.02446	7.9
85.02918	81.8
85.06547	79.6
86.03230	11.9
86.06055	6.6
87.00829	47.7
87.04487	7.7
91.05500	15.2
93.07045	17.6
95.08607	30.9
97.02897	92.8
97.06552	17.8
98.03234	20.7
99.04464	22.2
103.96754	5.0
105.01861	35.6
105.07042	19.4
106.06576	71.5
107.06906	24.6
107.08575	17.4
109.02885	28.2
109.10164	41.9
119.08571	24.8
119.60470	5.2
121.10175	36.3
122.09674	21.3
123.11700	15.9
127.03928	100.0
128.04256	22.1
129.04395	6.5
131.08559	7.6
132.04825	16.6
133.05112	6.6
133.10133	24.0
134.04344	33.8
134.05991	8.7
135.04771	10.6
135.11673	13.8
138.20633	6.0
139.03993	6.9
145.04980	68.3
145.10190	12.0
146.05360	16.0
147.11734	17.7
147.14697	5.9
148.11249	7.7
149.13275	10.5
159.03043	6.6
159.11729	16.4
159.89142	6.0
161.13277	19.1
163.14825	13.5
173.13295	10.5
175.14774	12.7
176.10773	25.6
189.16331	7.1
201.16449	7.3
202.07436	6.5
213.03804	6.8
217.09976	10.9
231.05005	49.2
231.21118	7.8
232.05408	19.0
233.05576	13.5
233.19223	6.1
235.10844	6.8
247.20644	9.4
249.06068	33.6
249.22185	8.0
250.06465	13.5
251.06776	7.0
261.08713	56.1
271.24200	33.3
289.25262	83.1
307.26358	28.2
369.33948	5.9
390.17908	12.1
398.17300	7.6
418.17612	18.0
436.18637	26.4
468.15356	15.6
527.26642	9.3
555.25623	11.4
573.27979	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	573.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.3
67.05497	0.5
70.94193	0.5
79.05485	0.8
80.05027	0.3
80.49033	0.2
81.03400	0.3
81.07051	0.4
85.02889	0.3
91.05482	0.9
93.07058	0.5
94.06573	1.1
95.08556	0.3
96.08121	0.2
97.02930	0.2
105.07041	0.7
106.06536	1.0
107.07345	4.6
107.08557	1.9
108.08125	0.9
119.07317	0.7
120.08117	1.6
121.10154	0.3
122.02717	0.2
122.06054	1.1
122.09676	30.5
124.11248	0.8
127.03921	0.3
129.07034	0.3
131.08563	2.1
132.08118	0.6
132.09068	0.2
133.08893	1.5
134.09654	2.1
136.07652	0.4
137.06058	0.2
146.09688	0.9
147.06776	0.6
147.09238	0.2
147.10391	0.3
148.07581	1.2
148.11218	12.0
149.12064	1.3
158.09651	0.6
160.07625	0.4
164.07120	0.7
171.19377	0.2
173.07135	0.6
174.07933	0.3
175.08691	0.6
176.10716	23.7
184.09952	0.3
187.08705	0.5
188.05817	0.4
189.10257	0.7
197.10774	0.7
199.08655	0.4
199.12355	0.2
200.07211	0.3
200.09380	0.4
201.06616	2.7
201.10277	0.2
202.07372	10.5
204.52635	0.2
211.08604	0.4
212.09473	0.6
213.10269	0.6
215.08170	1.2
215.11888	0.7
217.09735	9.1
225.10303	0.3
226.11041	0.3
227.08235	0.8
228.08820	0.5
230.08107	0.6
231.11375	0.5
233.09236	2.7
235.10715	1.4
241.09819	0.3
243.07671	0.4
243.11446	1.2
245.09268	0.3
257.09207	2.5
259.10815	0.6
261.08713	100.0
262.09021	0.8
269.09158	1.0
271.10782	0.8
272.09146	0.4
273.08795	0.7
285.08658	2.2
287.10269	8.6
288.11102	0.3
289.12003	0.2
297.08539	0.2
299.10294	1.3
301.11847	0.6
302.12964	1.0
305.07690	1.6
305.16422	0.3
313.08215	2.7
315.09863	1.6
317.15329	0.3
329.11493	0.3
330.12656	0.2
331.16797	0.3
346.19003	0.4
347.17438	1.4
355.42404	0.2
360.13495	0.6
361.14139	1.8
362.15161	0.3
376.16644	0.2
380.15912	0.4
390.18176	5.2
390.23071	0.4
392.19962	0.3
398.17105	11.3
398.55624	0.2
408.19141	0.3
410.20886	0.4
418.17563	1.6
436.18701	34.7
437.19098	0.5
443.19992	0.2
450.16776	0.4
452.18008	1.0
527.26440	0.5
555.26324	0.6
559.85065	0.2
573.27100	27.9
574.27435	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97483	0.2
53.03933	0.3
55.01859	0.2
55.05510	0.3
57.03439	0.4
60.07307	0.2
60.15817	0.2
67.05498	0.8
69.03421	0.7
69.07060	0.4
71.04983	0.2
71.13510	0.2
71.48710	0.3
73.02920	0.2
79.05499	0.9
79.31215	0.2
80.05018	0.5
81.03413	0.7
81.05786	0.3
81.07050	0.9
82.06552	0.3
85.02902	1.2
85.06551	0.4
86.09718	1.1
87.00851	0.2
89.69166	0.2
91.05485	0.2
92.24934	0.2
93.07051	0.6
94.06570	2.3
95.04964	0.4
95.08604	0.7
96.92071	0.2
97.02885	0.6
97.06513	0.5
99.04433	0.3
102.40801	0.2
105.07001	1.1
106.06557	3.2
107.07343	13.0
107.08519	0.4
108.08132	0.4
109.02876	0.6
109.10136	0.3
117.05479	0.3
119.08544	0.2
120.08041	0.3
122.06150	0.9
122.09671	100.0
123.10047	0.6
124.07550	0.2
127.03943	0.9
131.08565	0.4
132.10233	0.5
133.10153	0.2
135.11711	0.2
136.07571	1.7
137.05984	0.8
141.55319	0.2
145.04974	0.3
148.07718	0.2
148.11183	1.2
149.12029	0.2
150.09151	0.2
159.11717	0.2
161.05960	0.2
176.10704	2.3
197.10783	0.2
201.06662	0.3
202.07410	0.7
217.09756	0.6
231.05023	0.2
231.11360	0.3
235.10779	0.4
236.08319	0.2
237.09213	0.3
243.11366	0.4
250.14723	0.2
251.10353	0.2
257.09250	1.6
259.11008	0.3
261.08716	7.5
265.08749	0.2
269.09354	0.2
271.10684	0.4
271.24142	0.2
287.10165	1.0
289.25220	0.3
295.11121	0.2
297.11237	1.5
299.10382	0.6
301.11630	0.2
302.12894	0.5
303.13470	0.4
303.17212	0.4
305.07718	0.2
307.09943	0.2
307.16208	0.3
307.22665	0.2
307.26120	0.2
313.11752	1.0
315.09790	0.3
317.11319	3.4
317.14948	0.3
325.17191	0.5
329.11362	0.6
330.12317	0.7
331.12872	0.4
339.12335	1.1
347.17523	0.2
360.13559	0.3
361.14133	0.4
380.16351	0.3
390.18198	1.4
392.19666	0.4
398.17029	1.6
418.17670	0.7
425.23660	0.3
436.18661	3.4
452.18170	7.8
527.26855	1.3
529.22864	0.4
533.28412	0.2
537.24780	0.3
555.25952	1.0
573.13873	0.2
573.27252	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	572.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	3.6
53.03934	4.7
53.99943	3.5
55.01862	6.4
55.05511	36.9
57.03419	10.1
57.07085	40.4
59.04985	5.1
63.79680	3.6
65.75002	3.5
67.05511	36.1
69.07073	25.3
71.08633	35.0
71.49507	4.9
79.05502	24.2
81.03386	4.9
81.07058	40.8
83.04994	3.8
83.08633	27.4
84.08926	4.4
85.10183	11.0
89.06019	6.8
91.05500	23.4
93.07040	27.9
95.04959	8.5
95.08619	29.7
96.08929	4.1
97.06528	6.0
97.10159	15.3
99.00810	15.1
105.07029	21.7
107.04957	3.9
107.08611	21.1
109.02863	10.3
109.10177	18.6
111.11695	3.5
117.07016	11.1
119.08585	15.1
121.06475	5.6
121.10132	9.0
123.11671	6.2
133.10129	27.8
135.11699	5.0
145.10072	6.2
151.11183	12.2
161.09639	12.7
165.09229	4.2
171.08093	6.3
178.74844	3.5
179.10774	6.9
207.10152	5.5
225.11230	11.5
239.23759	3.7
243.12219	4.3
276.91006	5.3
281.13876	10.7
299.14932	87.4
313.27368	100.0
400.79172	3.6
530.89386	5.2
537.37915	33.5
566.90796	10.6
572.39429	3.5
572.47827	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	572.4524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.4
55.05521	8.6
57.07060	1.7
57.09561	1.4
59.04996	6.7
60.21773	1.6
65.96391	1.9
67.05508	33.7
69.07076	10.5
71.05014	1.7
71.08622	2.6
77.03933	2.6
79.05496	23.9
81.03452	2.0
81.07059	36.7
83.08642	10.1
85.10175	2.0
87.04472	7.2
89.06039	7.3
91.05488	15.2
93.07045	30.1
95.04987	3.0
95.08611	35.5
97.06549	7.2
97.10173	4.8
103.05451	2.5
105.04480	1.8
105.07037	100.0
106.06544	2.5
107.08607	15.6
109.10165	10.8
111.08107	6.7
119.08598	9.2
121.06509	3.0
121.10162	26.4
123.08109	1.6
123.11706	6.0
125.09603	3.1
131.08589	5.3
133.08656	4.7
133.10127	16.0
135.11705	16.8
137.09586	4.2
145.10188	3.1
147.11696	3.7
149.13248	4.5
151.11182	3.9
159.11743	3.7
173.13226	2.2
207.10225	3.9
209.13371	2.2
215.17989	9.8
233.19109	8.4
235.20529	3.5
249.18523	28.5
251.20081	65.9
253.21672	3.6
267.19501	8.9
269.21170	18.7
285.20657	4.3
311.16437	7.8
510.34802	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	13.6
57.03432	4.9
57.07074	5.6
58.62724	5.1
58.66822	5.1
59.04996	8.0
61.02925	8.3
67.05499	17.2
69.03418	14.0
69.07059	34.1
69.32436	49.3
71.04987	6.4
73.02903	7.9
79.05490	16.2
81.03413	21.9
81.07072	38.5
83.08609	10.4
85.02905	50.8
87.00836	8.5
88.96107	5.8
89.26057	5.0
91.05490	12.1
93.07050	26.2
95.08610	33.4
97.02894	15.2
97.06545	11.5
97.10172	6.4
99.04482	8.9
103.17523	5.8
105.01864	7.6
105.07037	37.8
107.08590	21.3
109.02879	20.9
109.10175	26.7
117.07025	8.9
119.08617	28.2
121.10175	26.3
123.11717	11.1
127.03928	33.4
131.08611	9.9
133.10135	13.4
135.11688	10.9
145.04961	19.1
145.10121	18.2
147.11687	27.8
149.13269	10.5
151.10957	5.5
159.02914	16.2
159.11710	16.4
161.13293	19.7
163.14828	18.6
173.13231	15.8
175.14848	13.8
176.02406	5.7
177.16426	12.5
187.14850	28.0
189.16403	24.5
201.16428	11.3
215.17984	10.2
231.05139	6.9
271.24207	100.0
338.74036	6.1
488.39145	7.3
546.28009	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	572.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.2
61.02930	2.1
69.03410	3.2
70.06593	3.9
70.44955	1.2
70.45303	3.8
73.02921	1.5
79.05511	1.9
81.03422	8.0
85.02898	6.2
86.09703	4.4
89.87746	1.3
91.03967	1.7
91.05496	11.1
93.07049	3.9
95.04964	1.5
97.02888	3.4
103.05474	5.2
105.07028	7.1
107.04950	4.6
109.06569	1.3
119.04941	10.0
119.08593	3.2
121.06536	7.1
122.03615	3.2
127.03876	1.8
131.04947	8.3
133.06511	5.3
135.04414	2.4
137.05989	51.8
137.09637	2.1
146.03683	1.6
147.04420	10.9
147.08006	2.1
149.05984	23.4
150.06705	2.1
151.07539	2.6
153.05495	4.2
161.05984	100.0
162.06737	7.8
163.07550	4.2
165.06932	3.5
165.09169	3.7
173.06003	1.7
175.07535	9.7
179.07043	5.7
182.07278	1.3
188.04559	1.8
191.07034	4.0
193.06421	3.2
195.06595	7.0
203.07039	64.5
207.08153	1.4
210.06815	1.9
210.94788	1.4
213.08693	1.8
215.07001	1.7
221.06027	7.5
221.08067	44.2
221.10178	2.5
222.06721	1.6
224.08383	2.4
225.09131	9.3
233.08134	14.5
235.07526	1.4
237.09146	2.1
238.06300	1.5
239.07161	1.4
253.08623	16.4
257.11685	2.1
265.08636	3.9
267.10114	6.9
277.08566	3.0
285.11218	67.6
295.09720	3.9
297.11230	14.7
307.09744	1.8
309.11185	5.9
325.10602	10.5
327.12283	89.0
339.12238	8.5
345.13336	50.8
357.13358	10.2
392.20932	2.7
410.21756	21.6
416.86536	1.5
478.99326	1.4
572.26892	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.3
65.03941	1.0
65.22807	0.6
67.05501	1.1
68.29062	0.5
69.03442	0.8
69.07071	15.1
70.06610	0.8
70.37157	2.2
75.83767	0.6
77.79470	0.6
78.04015	0.5
79.05500	4.8
81.07060	0.9
85.02873	0.5
86.43030	0.6
91.04921	0.6
91.05490	17.2
97.06540	29.0
105.07048	0.8
109.06539	1.2
119.04966	10.1
123.04345	0.6
127.08677	1.1
127.80023	0.7
135.04353	0.9
136.05183	1.1
137.05986	100.0
147.04404	0.8
149.05943	1.6
163.03883	1.8
163.07506	0.6
173.06097	0.6
189.09212	1.4
215.10689	1.4
233.11740	80.3
234.12117	0.8
250.14403	56.6
290.74658	0.6
307.58667	0.7
424.14304	0.6
528.25562	0.8
553.02917	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.1
56.03315	1.8
57.03431	4.0
59.48100	1.8
61.02943	15.3
62.78917	1.9
63.29753	2.0
67.05501	6.2
68.79150	1.8
69.03423	8.3
69.07063	3.1
69.23183	18.3
70.06580	2.0
71.48189	1.8
73.02909	5.3
79.05499	5.6
81.03419	48.0
81.07071	4.7
85.02911	16.5
91.03947	6.7
91.05495	20.2
93.07047	9.4
93.31570	2.1
95.08611	6.4
97.02908	10.5
97.06566	9.5
98.21618	2.0
99.04411	2.0
105.07037	5.5
107.04931	3.6
107.08624	2.1
109.02862	2.7
109.10133	2.6
116.57044	1.9
117.07027	1.9
119.04956	11.1
119.08573	17.1
121.06518	15.4
123.04475	2.2
123.08069	2.7
127.03896	3.6
129.07091	2.2
131.04938	2.7
133.02866	3.3
133.06487	5.4
135.04425	4.6
137.05984	69.9
137.09612	10.1
145.04971	2.6
145.06546	1.9
147.04417	18.9
147.08035	4.4
148.08867	2.1
149.05989	20.4
150.06708	2.5
161.05984	53.3
162.06786	2.5
163.07555	6.1
165.05545	3.5
165.09135	19.8
167.07085	2.1
173.06032	7.8
175.07594	10.1
177.05490	5.0
179.07030	16.2
183.10155	8.8
191.07103	3.9
195.06570	3.7
199.07442	2.3
203.07050	31.8
215.07082	2.8
221.06026	3.5
221.08046	23.6
225.09047	3.0
229.12158	3.6
233.08218	2.6
233.11705	4.8
250.14389	6.0
253.08638	6.1
257.11755	12.7
275.12933	5.4
283.13312	2.4
285.11105	11.6
297.11218	3.0
301.14362	7.3
318.17252	2.5
319.15387	6.0
327.12344	16.9
345.13391	11.5
357.13324	2.6
375.17993	5.2
392.20871	10.7
393.18930	6.8
410.21774	100.0
461.56351	2.1
536.24707	3.7
554.25739	5.6
572.27057	61.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	10.1
55.01862	7.4
55.05504	7.9
56.63287	3.4
57.03432	8.0
57.37377	4.2
58.88810	4.0
59.26377	4.2
61.02924	5.4
67.05491	19.2
68.99802	7.0
69.03429	38.8
69.07064	15.0
70.03880	8.9
70.04277	7.0
71.04987	12.2
73.02914	4.0
76.92880	4.0
79.05481	11.6
81.03410	36.9
81.07050	24.0
83.04993	7.5
83.08609	8.3
85.02903	53.9
85.06546	100.0
87.00842	22.1
87.08133	3.8
91.05469	12.8
93.07040	18.5
95.05013	4.7
95.08609	21.9
97.02904	27.4
97.06494	14.5
99.04453	19.1
105.01870	14.2
105.07038	26.8
106.06587	4.7
107.08597	31.7
109.02897	28.0
109.06496	4.4
109.10147	25.9
111.08058	7.6
117.06986	5.9
119.08598	25.7
121.10137	30.2
123.08072	5.7
123.11704	13.3
127.03923	50.0
130.34871	3.7
131.08554	10.1
132.05922	3.9
133.10124	27.3
135.11676	12.5
137.05949	13.6
137.09605	6.1
137.13249	3.9
143.08578	5.0
145.04936	7.9
145.10120	13.1
147.11722	20.5
149.13245	9.5
151.55812	3.7
157.10092	13.2
158.53322	3.7
159.02895	14.5
159.11684	30.0
161.06050	5.1
161.13225	23.2
163.14836	10.8
165.12764	6.5
169.44261	3.9
171.11763	5.7
173.13225	17.5
175.07552	6.1
175.14848	9.2
177.12761	5.1
179.14307	7.3
182.17146	4.3
185.13283	6.0
187.07515	4.5
187.14812	6.2
189.09151	4.5
189.16350	5.7
191.14189	4.0
199.14799	4.0
201.16393	16.3
203.17929	16.8
210.03728	4.3
213.03952	5.9
213.16302	5.9
215.17989	11.3
219.17471	14.4
221.19092	5.2
229.19534	10.7
231.05031	13.9
245.19040	5.9
247.20506	6.1
269.22656	13.4
287.23694	40.3
305.24710	54.6
323.12625	5.3
323.25891	22.8
483.22046	13.0
527.24255	14.4
534.97986	4.8
553.30707	18.7
571.24359	23.6
571.32581	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	571.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31317	2.2
53.03949	3.4
55.01864	2.5
55.05503	5.5
56.05046	3.8
57.01590	2.4
57.03438	3.9
58.40140	2.3
63.41278	2.2
63.68831	2.6
67.05502	7.5
69.03433	15.1
69.07065	12.8
71.04986	9.0
71.49380	4.1
79.05486	7.3
81.03423	7.1
81.07052	13.6
83.04956	3.8
83.08654	5.7
85.02908	23.3
85.06547	100.0
87.00828	10.4
91.05473	7.4
93.07024	12.8
95.08622	11.7
97.02891	7.1
97.06525	5.6
99.04437	4.7
105.01865	6.8
105.07018	12.8
106.06546	2.7
107.08582	14.5
109.02894	7.8
109.10160	20.4
111.08061	4.5
119.08588	17.1
121.10151	19.8
123.11713	8.0
127.03944	13.3
129.07030	3.4
131.08554	5.3
133.10106	22.5
135.11693	9.9
137.05989	22.3
141.06584	14.4
145.10141	12.0
147.11702	9.1
149.13284	5.9
157.06500	3.7
157.10132	6.9
157.13396	8.4
159.11707	21.3
161.13254	14.8
163.14951	2.7
165.12715	3.0
171.11707	5.6
173.13298	12.1
174.06857	2.7
175.07533	4.6
175.14848	8.5
177.12740	5.0
177.16484	3.1
179.14377	2.7
185.13358	5.1
187.07594	3.3
187.14864	8.5
189.16399	6.2
191.14304	3.2
193.15826	3.1
201.16415	7.6
213.16441	6.5
217.15912	3.6
219.17491	11.4
227.17865	2.7
229.19533	18.0
247.20575	7.8
250.03784	5.1
256.90005	2.8
269.22620	18.3
283.09552	2.9
287.23764	36.0
288.16992	3.4
291.10056	5.5
295.09586	3.2
305.24762	34.7
323.12805	4.0
323.25760	11.1
395.25610	2.7
483.21530	3.0
517.28223	3.0
571.17432	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	571.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16373	4.9
53.03545	4.7
55.05493	6.0
61.48005	4.5
67.05493	16.7
69.03428	18.5
69.07058	14.3
69.16594	10.1
69.17005	42.8
70.06602	10.9
71.04998	8.5
79.64434	4.7
79.89902	5.0
81.03416	17.8
81.07080	11.9
83.08604	9.3
85.02905	24.4
85.06546	100.0
86.80565	5.2
87.00833	19.0
91.05494	11.4
93.07056	25.4
95.08606	22.2
97.02874	8.0
97.06536	19.9
98.20744	12.5
105.01856	12.3
105.07032	31.4
107.08589	17.4
109.02892	13.6
109.10150	31.0
119.08568	31.3
121.10143	26.9
123.11698	10.5
125.09652	6.6
127.03909	20.1
131.08574	7.2
133.10141	32.5
135.11668	10.3
137.05960	24.9
143.08578	9.0
145.10130	15.0
147.11694	14.5
149.13266	8.7
157.10136	8.7
159.08092	6.2
159.11682	20.1
161.13266	26.2
163.11241	5.5
168.24353	5.1
171.11789	6.2
173.13280	19.5
174.09082	6.6
175.14870	5.9
176.06993	5.8
177.12794	6.8
180.22491	5.0
185.13235	5.0
187.14868	17.0
189.12862	6.2
199.14821	6.5
201.16344	12.0
203.17957	6.9
205.15881	6.9
209.13426	5.2
219.17427	14.9
223.95735	4.8
227.99611	5.6
229.19505	21.0
231.05078	6.2
231.17377	6.9
247.20520	12.7
250.14392	7.1
269.22668	22.4
287.23648	37.3
305.24789	38.7
323.25763	19.3
434.17319	8.9
483.22052	14.1
571.25092	32.4
573.90894	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	571.312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.5
55.01869	3.8
55.05502	4.5
61.02917	3.7
67.05499	10.8
69.03442	21.2
69.07069	8.1
69.18504	29.8
69.18923	8.0
70.06585	3.9
71.05003	7.1
73.02924	3.7
75.26916	3.3
79.05495	9.3
81.03432	17.3
81.07056	13.8
83.08645	5.3
85.02920	29.1
85.06553	100.0
87.00854	9.8
91.05485	11.7
93.07043	9.2
95.04948	3.8
95.08600	16.0
96.40390	4.3
97.02876	11.5
97.06533	7.1
99.04454	7.1
105.01895	6.0
105.07012	19.6
107.08594	14.6
109.02878	12.0
109.10177	26.6
111.08141	3.4
119.04967	3.7
119.08588	24.2
121.10162	33.4
123.11726	11.3
127.03923	20.8
131.08592	11.4
133.10150	20.8
135.11700	15.8
137.06004	4.6
143.08527	7.5
145.04939	5.3
145.10143	11.8
147.11688	10.4
149.34460	3.4
157.10085	11.2
159.02899	5.2
159.11745	18.7
161.13300	16.6
171.11729	8.6
173.13293	19.7
175.14867	4.4
179.14301	4.1
185.13168	6.8
187.14861	14.0
189.16222	3.7
199.14786	4.4
204.10222	3.5
213.16397	8.4
227.17842	4.2
229.19572	15.6
231.05064	5.8
245.18994	4.6
247.20586	9.6
269.22754	28.7
283.08316	3.7
287.23718	54.5
305.24762	58.2
323.26028	5.8
361.10663	4.1
408.94180	3.6
483.21918	12.9
509.23788	5.4
527.24884	7.1
553.22876	7.3
571.23535	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	571.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.5
55.01860	6.1
55.05512	25.5
57.03433	7.7
57.07066	6.3
59.04992	4.1
59.53850	2.8
61.02923	6.1
67.05508	31.7
69.03426	35.5
69.07068	39.1
70.39169	2.7
70.75239	8.1
71.04998	14.8
71.08588	3.6
73.02905	4.8
74.58994	2.9
79.05483	17.1
81.00226	3.1
81.03424	27.9
81.07058	76.4
83.04974	13.7
83.08601	11.8
85.02433	5.5
85.02909	62.4
85.06541	28.2
87.00829	30.0
91.05484	14.8
93.07053	51.6
95.04955	4.9
95.08606	100.0
97.02892	24.3
97.06545	17.0
97.10191	5.8
99.04459	19.9
99.08122	4.9
105.01858	21.6
105.07040	47.3
107.08600	59.0
109.02896	24.1
109.06513	7.1
109.10157	65.6
111.08089	8.6
111.11720	6.4
113.09607	5.2
117.01849	3.6
119.08586	47.2
121.10149	45.2
123.08086	16.7
123.11713	35.8
125.09628	14.5
127.03922	39.2
129.01862	3.0
129.07053	4.5
131.08560	17.5
133.10129	31.1
135.08090	5.6
135.11716	22.7
137.09605	16.4
137.13280	12.4
139.07568	9.7
139.11194	4.2
142.07729	6.1
143.08580	9.9
144.09348	3.3
145.04976	13.1
145.10139	37.5
147.11705	26.1
149.09616	4.7
149.13272	27.2
151.11172	8.3
151.14847	9.0
155.08502	2.8
155.10661	9.1
156.09303	3.7
157.10173	24.5
158.10794	3.4
159.02910	16.3
159.11714	34.6
161.13268	30.8
163.11224	6.5
163.14825	21.5
167.14322	8.9
169.15840	3.6
171.11653	15.1
173.13249	23.5
175.11183	4.7
175.14824	14.5
177.12782	5.9
177.16386	4.9
179.14317	5.9
181.15834	15.3
185.13290	11.9
187.14859	17.7
189.12737	3.2
189.16382	8.1
193.15871	3.7
195.13721	3.7
199.14790	18.4
199.86398	3.3
201.16409	9.7
203.14244	6.0
203.17976	4.5
205.15910	5.7
213.16484	15.5
215.17976	6.3
217.15929	5.8
217.19540	4.1
227.17912	10.1
229.19508	3.5
231.04977	6.7
231.17441	11.5
239.16338	4.7
243.21091	11.3
245.22600	4.5
261.22003	3.8
269.22641	36.7
287.23697	45.3
305.24777	33.5
323.25955	23.9
492.78592	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.4
55.01866	1.8
55.05511	3.8
57.03444	3.3
57.07070	1.7
58.42009	1.8
67.05495	5.0
69.03434	16.7
69.07066	9.2
70.03738	3.1
70.04120	7.4
71.05012	8.4
73.02900	1.9
74.88313	1.9
77.34318	1.7
79.05493	3.8
81.03424	12.7
81.07063	12.7
85.02906	26.8
85.06543	100.0
87.00827	9.6
91.05476	7.1
93.07047	10.1
95.08613	14.7
97.02882	11.5
97.06536	4.7
99.04464	3.9
105.01868	7.3
105.07039	15.2
106.06544	3.9
107.08583	13.8
109.02887	14.6
109.10149	7.5
111.08072	2.1
111.77408	1.6
116.85102	1.8
117.07025	3.6
119.08579	17.3
121.10106	9.7
123.11723	2.8
125.09619	2.3
127.03922	25.6
128.04187	1.8
128.70465	1.7
129.07010	1.7
131.08543	4.5
133.10110	19.3
135.11685	6.9
137.05972	2.4
137.09616	2.1
144.09419	2.3
145.04964	6.5
145.10114	18.2
147.11722	11.5
149.13255	5.2
157.10173	2.5
159.02895	4.9
159.11700	39.6
161.13272	25.9
163.11185	1.8
163.14856	2.9
173.13231	6.5
175.14853	12.0
177.12721	2.5
179.14334	5.9
185.13271	1.7
193.15878	12.0
199.14854	2.6
201.16365	45.3
213.03902	3.0
219.17439	52.4
223.63708	1.8
231.05061	5.0
231.17502	3.1
237.18506	16.7
249.05992	2.1
269.22650	4.5
287.23694	7.9
305.24719	13.1
323.25916	8.4
376.92776	1.7
571.31262	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	571.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	9.8
55.01864	10.4
55.05512	20.7
57.03433	7.0
57.07068	5.2
58.32933	2.7
59.04990	4.5
59.99106	3.2
61.02925	6.7
65.03931	3.8
67.05500	33.4
68.99773	3.5
69.03426	40.6
69.07066	51.1
69.25682	17.9
69.26088	6.1
71.04996	13.4
73.02905	9.0
73.06552	3.8
73.51638	2.4
79.05493	28.1
81.03417	36.0
81.07055	80.9
83.04977	7.5
83.08617	12.5
85.02905	100.0
85.06549	17.3
86.03258	4.8
86.06046	4.0
87.00828	32.3
91.05461	23.2
93.07043	49.4
95.04970	7.3
95.08608	84.9
97.02900	37.3
97.06512	22.3
97.10165	9.1
98.03186	3.5
99.04455	18.5
99.08082	4.3
100.04767	2.8
105.01864	36.4
105.07032	43.5
106.02204	3.2
106.06570	27.7
107.05003	3.1
107.06899	9.2
107.08592	73.7
109.02874	40.5
109.06514	6.4
109.10159	83.1
110.03236	7.2
111.08066	6.1
112.94920	2.6
113.09641	5.7
117.07047	9.0
118.06521	2.5
119.08579	46.2
121.06503	2.4
121.10152	44.7
122.09661	9.4
123.08057	10.8
123.11696	33.8
124.86617	2.3
125.09640	18.2
127.03916	81.4
128.04250	18.0
128.06206	3.9
129.01859	3.7
129.07019	7.7
131.08572	22.7
132.04788	25.7
133.05121	4.3
133.10141	28.2
135.08006	5.1
135.11685	26.0
137.09576	15.9
137.13220	12.1
139.07423	3.3
139.11182	10.5
143.08542	12.6
145.04980	46.9
145.10101	34.0
146.05299	12.4
147.02895	5.0
147.11703	25.5
149.09669	4.8
149.13269	23.9
151.11153	6.0
151.14728	6.1
153.09061	3.3
155.10637	5.7
156.09296	7.0
157.10110	24.6
158.10854	3.5
159.02840	24.2
159.11699	40.3
161.13257	36.7
163.11192	7.5
163.14818	29.6
165.12744	5.9
167.14314	8.9
171.11693	18.1
172.82420	2.6
173.13249	29.6
175.14795	10.7
177.03961	3.4
177.12859	3.6
177.16379	6.7
179.14331	11.6
181.15863	15.3
185.13252	15.3
187.14870	22.7
189.03961	3.9
189.16388	8.8
191.14333	3.9
193.15852	4.4
195.13795	3.6
199.14803	17.6
201.16338	13.0
203.14293	6.2
203.17957	5.5
205.15891	10.9
213.16412	28.4
214.04535	3.2
215.17929	5.1
217.10164	5.7
217.15840	7.1
217.19380	3.0
221.15372	3.8
223.16959	4.6
226.17072	3.2
227.17993	11.6
229.19440	6.9
231.05028	27.3
231.17429	11.3
232.05338	13.3
239.16267	4.3
243.21115	23.8
245.18918	3.4
249.05991	9.3
249.18481	3.2
250.06226	4.6
251.10396	2.8
259.09863	3.6
261.22101	7.2
269.22632	63.7
287.23730	49.8
305.24689	29.3
323.25827	50.6
380.09991	5.4
381.10349	4.1
465.15454	5.7
466.15732	13.2
565.91168	3.2
571.21863	8.2
571.31140	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	570.4576
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	3.2
57.07079	58.0
59.04994	1.5
61.91911	0.8
67.05497	3.2
69.06799	0.7
69.07074	7.9
69.74262	0.9
71.08635	50.3
71.92867	0.8
73.02894	1.4
73.06561	5.3
73.69415	0.8
79.05498	2.2
81.07058	4.0
83.08636	4.4
85.02876	1.0
85.10190	30.5
87.04472	6.1
89.06036	100.0
91.05481	1.7
93.07056	2.2
94.06541	0.8
95.05032	1.0
95.08606	3.2
96.70753	0.8
97.10158	3.4
98.21537	1.7
99.11736	7.0
99.31757	0.8
105.07033	5.6
107.08598	1.2
109.10150	1.9
111.11729	3.1
113.13268	4.9
117.09164	5.1
119.28782	0.9
121.10147	2.9
123.11747	2.6
125.13313	1.6
127.14851	4.0
130.08612	1.0
131.07059	2.0
131.08632	1.2
133.08611	64.7
135.11696	1.7
160.79680	0.9
161.11765	1.5
175.09746	0.9
177.11218	25.6
221.13797	6.9
221.19070	1.2
227.23676	2.2
251.19931	1.3
265.16449	1.7
267.19577	1.4
271.26328	4.1
283.17520	1.6
315.28976	4.9
327.20120	3.6
371.22714	10.3
553.43188	12.7
570.45428	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.4728
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07215	1.0
55.05511	2.5
57.07082	8.2
59.05006	6.6
66.92441	1.1
67.05507	8.3
69.07065	2.9
69.32431	7.9
71.08639	8.3
73.06562	1.4
79.05483	5.0
81.03439	1.3
81.07050	6.1
82.06535	0.9
83.08611	2.3
84.78117	1.0
85.02892	1.5
85.10207	5.1
87.04454	4.1
89.06031	100.0
91.05501	5.2
93.07047	7.6
95.04949	1.3
95.08601	8.7
97.06554	1.6
97.10182	1.4
105.07035	7.0
107.07096	1.4
107.08615	3.1
109.10148	2.7
117.09153	2.3
119.08588	2.8
121.10150	6.6
123.11710	1.5
129.06967	1.0
130.08641	1.5
131.07069	2.5
131.08582	1.9
133.08606	60.9
133.10173	2.4
135.11745	4.9
141.78381	1.1
145.10097	1.9
149.13278	1.3
159.11772	1.4
175.09671	1.2
177.11230	23.8
205.16446	1.1
215.17993	1.2
217.19478	1.4
221.13837	4.5
233.19122	1.8
235.20621	3.0
239.14818	2.2
248.39435	1.0
251.20058	17.4
265.16470	1.4
267.41919	1.1
269.21027	4.7
283.17642	3.5
327.20087	3.5
369.44119	1.0
371.22766	26.0
570.42419	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	570.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	3.6
56.01550	3.2
63.43248	3.0
70.06590	9.5
71.05002	2.7
71.48982	3.8
75.00000	3.5
85.02922	5.8
90.11992	3.3
91.05493	20.8
92.89883	2.9
95.04948	6.9
102.04721	4.5
103.05456	9.1
105.07020	6.7
107.04985	3.8
115.05494	4.4
119.04951	21.9
119.08566	2.9
122.06107	2.8
123.04456	5.2
126.03185	2.9
126.78696	2.7
130.04164	6.7
131.04900	11.8
133.06482	9.8
135.04443	4.5
137.05981	100.0
138.84949	2.6
145.06453	6.3
147.04416	28.7
149.06007	9.4
150.06750	7.1
151.07579	8.0
160.05167	3.9
161.06009	26.0
162.06776	34.5
163.07498	4.1
173.05980	14.3
175.07550	3.1
177.05505	10.2
179.07114	9.1
180.07674	2.9
191.07120	3.4
193.04993	8.5
195.06602	3.7
195.13231	3.1
201.05467	64.1
207.06569	5.7
219.06514	38.7
223.07466	3.4
228.10452	3.0
231.06538	5.5
233.05992	6.1
233.08136	3.4
233.11774	5.8
234.06743	3.2
237.09081	5.7
248.08253	3.1
249.07596	4.4
250.14328	3.4
265.08560	8.8
272.63699	3.0
277.08661	3.1
292.07272	4.3
293.08105	8.5
297.11404	4.4
307.09659	11.3
309.11417	4.1
323.09201	20.8
325.10739	35.3
337.10709	10.7
343.11783	19.5
355.11710	32.7
570.16138	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	570.218
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03428	1.5
69.48061	7.1
69.52135	1.1
70.06568	2.1
70.38618	1.1
70.51346	1.0
74.74724	1.2
79.05473	1.4
85.02900	2.2
87.15499	1.1
91.05479	10.8
92.75125	1.1
97.06530	4.3
100.11170	1.1
103.05473	4.9
105.07021	4.4
113.41747	1.4
115.05465	3.2
115.57544	1.1
117.07008	2.9
119.04950	12.2
121.06560	1.8
122.03675	2.4
124.05167	1.5
124.72236	1.0
127.03928	1.7
130.04160	1.9
131.04909	5.9
133.02863	5.3
133.06465	3.1
135.04407	2.8
137.05977	33.1
137.06952	2.5
145.06505	3.9
146.03572	1.3
147.04405	14.0
149.05981	3.6
150.06775	3.9
151.07573	1.3
158.03625	7.5
161.02318	1.2
161.06020	11.4
162.06754	9.9
163.07579	1.4
173.05975	12.4
175.03912	4.4
177.05487	5.3
179.07048	3.2
186.03172	4.8
193.04941	2.4
201.05466	100.0
202.05522	1.3
205.06516	3.7
213.05394	2.3
219.06523	33.3
221.06076	2.1
222.06770	3.6
231.06577	5.6
233.06017	5.0
233.11678	2.6
234.06735	4.2
235.07555	1.7
237.09111	4.7
239.07173	1.3
247.07671	1.8
249.05547	1.7
249.09142	1.4
250.06290	4.8
250.14430	2.2
251.07063	2.2
261.05438	1.4
262.06287	2.4
264.07822	2.3
265.08591	9.6
277.05115	1.5
277.08353	1.8
278.05670	1.6
282.08728	1.2
290.05869	1.6
292.07260	4.2
293.08057	9.4
297.11182	4.5
305.07971	4.9
307.09634	8.9
323.09070	8.8
325.10730	52.1
337.10596	8.3
343.11725	9.6
355.11728	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	570.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.8
55.01866	2.0
55.05505	8.0
56.05036	26.0
57.03440	2.2
61.02905	1.4
61.04051	1.6
67.05484	2.1
69.03432	6.9
69.21144	6.7
69.21571	4.3
69.99297	1.6
70.06581	1.8
72.08153	16.5
73.02924	2.9
81.03432	7.6
81.20728	1.1
82.06572	1.4
84.04492	1.8
84.08140	27.5
85.02900	14.4
86.09710	5.7
87.00816	7.1
87.01967	1.6
91.03982	1.2
91.05458	1.3
97.02892	6.8
97.06554	1.6
97.35979	1.1
98.06031	3.8
98.20790	2.1
99.04469	4.8
105.01892	2.9
106.06576	4.4
109.02880	7.9
109.10201	1.3
115.08684	20.0
119.06068	2.5
127.03928	11.9
127.08676	92.6
132.04457	2.5
137.06001	1.5
141.06586	33.5
145.04950	3.3
149.74174	1.2
157.13362	100.0
159.02875	5.4
161.05986	1.5
161.10779	1.2
169.13367	51.9
174.09230	1.8
176.07121	2.7
176.10725	2.9
204.10204	2.0
205.10988	2.2
206.11806	1.4
207.09503	1.4
231.04982	2.1
246.12383	30.9
276.17096	23.4
288.17062	80.4
289.17294	1.9
351.88602	1.3
374.92993	1.1
407.18060	1.2
435.95468	1.3
442.07712	1.2
451.17319	3.4
482.21927	5.8
488.24365	1.3
506.25284	3.6
507.26379	10.1
508.22879	2.8
526.23938	4.9
551.24701	1.3
570.21136	18.4
570.31531	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	570.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03732	1.2
53.03950	10.9
55.01882	10.1
55.05488	3.2
57.03423	5.1
57.03672	1.3
59.24214	1.1
59.99108	6.4
61.02935	6.7
67.05508	1.9
67.67139	1.1
67.71996	1.0
68.99786	3.6
69.03438	35.3
69.07060	2.2
69.17399	1.0
71.05005	7.2
71.49608	2.1
72.08138	1.6
73.02936	8.8
73.06570	6.1
74.96027	1.2
79.05488	5.0
81.03428	40.1
81.07040	3.6
82.03718	1.7
83.01320	1.8
85.02912	100.0
85.06538	2.0
85.07655	1.5
86.03269	1.7
86.06055	4.3
87.00833	30.6
88.68148	1.1
91.03960	2.4
91.05470	2.1
93.07054	3.5
95.04977	2.9
95.08595	3.2
97.02901	31.0
97.06536	10.7
99.04468	19.3
100.04830	1.3
101.02363	1.5
102.00126	2.4
102.03806	1.3
105.01208	2.1
105.01876	35.1
105.07060	1.5
106.06563	62.5
107.08591	3.1
109.02890	44.7
109.10120	2.8
110.03154	1.2
111.46573	1.1
115.03951	2.8
115.08677	2.9
117.01867	5.7
119.08570	3.6
123.04414	1.3
127.03928	99.1
128.04231	3.0
129.01820	5.5
131.08531	2.0
132.04800	31.4
133.10120	1.4
134.06026	5.6
134.09612	1.8
137.05956	4.3
137.09563	1.1
143.08414	1.2
145.05009	50.2
147.02878	4.7
147.11642	1.3
157.13402	2.4
159.02901	32.5
161.13214	1.7
162.09122	2.1
163.03848	1.4
167.45421	1.1
169.90717	1.3
177.03998	2.3
187.06078	1.2
189.03905	2.3
189.09171	1.3
201.03990	1.3
206.11754	1.4
208.05412	3.8
213.03987	5.6
217.10167	6.3
222.19247	1.4
231.05008	44.5
237.22984	1.2
249.06104	9.1
250.10135	4.1
267.22806	1.3
276.19598	1.2
280.11139	3.5
302.17529	1.9
304.23288	2.0
308.04099	1.8
322.24579	1.8
380.10065	10.6
465.15433	17.4
482.21558	4.8
508.23645	1.9
526.24634	11.9
551.45154	1.3
552.24634	3.7
570.21063	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	570.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	0.6
53.03951	9.1
55.01873	12.1
55.05510	2.7
57.03439	7.4
59.99112	8.9
61.02930	6.9
68.99795	4.6
69.03431	44.1
69.19617	1.7
69.20101	2.0
71.01366	1.0
71.04995	6.5
72.08163	2.1
72.59017	0.3
73.02920	10.0
73.06559	9.3
77.03922	0.7
79.05488	2.2
81.03419	49.1
83.01342	1.3
85.02908	100.0
85.07667	0.9
86.06065	5.7
87.00831	40.2
87.04467	1.6
89.04252	0.7
91.03954	3.1
95.04984	0.7
97.02894	33.1
98.21502	0.9
99.04458	20.5
101.02383	0.9
102.00126	3.3
102.03748	1.0
102.99641	1.2
103.03928	1.7
105.01871	31.8
106.06557	77.1
109.02883	48.8
110.03677	0.5
111.04474	0.4
115.03946	1.7
115.08705	2.4
115.09425	0.3
116.07088	0.9
117.01859	6.9
125.02307	0.7
126.05523	0.4
127.03920	82.1
128.37582	0.3
129.01846	6.6
132.04794	21.9
134.06013	4.7
141.01877	0.6
141.06531	0.4
144.01141	0.6
145.05000	39.7
147.02887	4.2
153.01833	0.4
157.13402	3.3
159.02895	28.5
171.02872	0.8
175.05309	1.9
177.03957	1.6
180.10023	0.4
187.06061	0.8
189.03909	1.3
191.11789	1.5
205.06996	0.6
208.05405	4.3
213.03966	4.0
217.10081	4.5
231.05006	29.4
249.06062	6.8
250.10092	2.6
264.27475	0.3
280.11105	2.5
308.04306	1.1
320.13358	1.3
380.10089	6.1
465.09238	0.6
465.15399	9.4
570.21295	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27814	4.0
53.03943	12.5
55.01875	11.7
55.05511	29.0
56.58651	4.3
57.03435	12.1
57.07081	9.2
58.96067	4.0
61.02932	7.8
62.58520	4.8
67.05504	40.9
69.03427	46.6
69.07075	37.0
70.31854	4.3
70.93298	5.5
70.93636	10.4
71.05002	25.5
71.05329	4.2
73.02902	8.1
79.05499	27.1
81.03414	47.3
81.07059	62.6
83.04977	14.6
83.08627	19.0
85.02905	67.0
85.06544	100.0
87.00822	28.4
91.03964	5.6
91.05482	26.0
93.07051	53.0
95.04996	9.9
95.08609	75.7
97.02892	30.0
97.06541	26.3
97.10169	5.7
99.04485	23.4
105.01871	19.0
105.07036	70.0
107.08595	68.0
109.02894	26.1
109.06548	13.0
109.10161	73.9
111.08073	13.4
113.09698	6.0
115.05479	4.9
117.07030	12.7
119.08585	65.2
121.06524	5.4
121.10148	51.3
123.08054	16.0
123.11712	16.8
125.09661	16.8
127.03922	55.7
129.07030	8.9
131.08598	30.2
133.10141	43.1
135.08081	9.0
135.11708	20.7
137.06082	7.8
137.09612	18.9
141.06944	5.3
142.07785	10.7
143.08586	20.7
144.09355	10.9
145.04991	15.3
145.06424	4.6
145.10133	44.4
147.11711	32.0
149.09671	7.2
149.13274	21.4
149.43370	4.8
155.08582	10.0
155.10696	18.0
156.09344	6.8
157.10147	37.3
159.02911	14.2
159.11708	85.6
161.13268	61.4
163.11212	13.1
163.14848	12.4
165.12743	12.4
169.10115	14.4
170.10950	10.6
171.11661	27.3
173.13281	53.5
175.11230	12.4
175.14894	8.9
177.12772	13.7
179.14326	16.2
183.11726	14.1
185.13310	24.3
187.14806	16.2
189.12730	8.3
189.16377	6.2
191.14366	10.0
197.13289	8.8
199.14850	27.2
201.16400	20.1
203.14366	16.4
209.13318	7.9
211.14861	19.1
213.03960	9.5
213.16405	7.8
215.14375	6.7
215.18024	9.0
217.15855	44.3
219.17340	7.4
221.15388	14.6
225.16371	8.4
227.17987	19.2
229.15927	21.8
231.05049	15.7
231.17419	14.3
239.16417	11.3
241.19548	9.2
243.17494	7.9
245.19048	14.3
247.17007	11.8
257.22873	8.1
267.21246	23.3
285.22116	64.3
303.23209	68.7
321.24231	40.2
483.25848	5.4
525.26459	16.7
569.26019	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	569.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	12.7
53.33819	4.7
55.01859	17.4
55.05493	15.4
57.03427	7.6
61.02906	10.1
67.05511	51.4
68.09846	4.6
69.03429	40.5
69.07072	42.2
70.30813	7.8
70.31165	16.0
71.04981	16.5
73.02908	8.1
73.06042	4.8
79.05492	21.9
81.03412	38.8
81.07063	67.7
83.05000	13.6
83.08620	17.2
83.31739	3.8
85.02908	71.9
85.06526	16.5
87.00834	28.4
88.85983	4.4
91.03953	7.3
91.05477	29.9
93.07047	49.4
95.08610	60.1
96.25397	5.0
97.02913	26.2
97.06543	33.5
99.04465	16.0
101.63651	4.9
105.01859	13.0
105.07034	60.7
107.08595	66.1
109.02882	37.2
109.06516	10.9
109.10171	100.0
111.08086	10.7
117.07018	12.9
119.08575	60.4
121.10164	37.0
123.08109	25.7
123.11682	17.1
125.09633	20.1
127.03925	40.2
128.06247	6.1
129.06975	4.1
131.08571	20.5
133.10146	36.7
135.08015	11.5
135.11714	23.0
137.09619	17.5
137.13261	7.9
139.07501	11.3
142.07729	5.2
143.08557	19.3
145.04909	11.9
145.10115	35.2
147.07932	4.9
147.11743	24.6
149.13301	25.9
153.12830	6.0
155.08572	9.8
155.10641	31.7
157.10150	30.2
159.02895	11.1
159.11665	51.4
161.13255	51.3
163.11172	12.0
163.14862	6.9
165.12708	5.5
166.87903	5.6
169.10156	19.4
171.11659	21.3
173.13252	22.3
175.14836	16.0
177.12782	11.0
179.14334	16.5
183.11711	11.0
185.13266	26.3
187.14818	20.3
191.14243	7.9
197.13190	17.2
199.14833	19.0
201.16360	9.6
203.14282	15.6
205.15892	9.7
211.14783	19.9
213.16373	5.2
215.18121	7.0
217.15858	15.8
221.15317	15.7
225.16492	8.5
226.76447	5.0
227.17854	14.8
229.15938	15.8
231.04890	6.0
231.17282	5.2
235.16966	7.6
239.16299	23.6
239.32150	5.0
241.19629	6.5
245.18967	8.3
247.16910	6.5
259.20709	7.1
267.21094	20.9
269.22632	9.6
285.22113	61.0
303.23160	56.6
321.24298	25.9
503.23523	5.4
525.22949	6.7
569.21954	44.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.4203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	6.0
55.05510	17.7
57.07084	5.9
59.04993	9.5
67.05514	34.8
69.07085	20.9
74.83674	3.7
75.22952	3.7
76.61677	4.1
79.05510	31.0
81.07059	49.0
83.05006	4.3
83.08607	8.1
85.06537	8.8
89.06042	4.3
91.05485	41.8
93.07056	63.6
95.04971	11.8
95.08619	49.7
97.06529	4.6
103.05511	4.3
105.04569	4.6
105.07037	100.0
107.08591	61.7
109.06535	14.2
109.10168	43.7
115.05475	5.0
116.06242	4.1
117.07015	26.1
119.08593	97.9
121.10150	57.8
123.08083	8.3
123.11712	15.0
128.06252	14.1
129.06998	20.2
130.07762	9.6
131.08551	38.6
133.10121	57.2
135.08098	7.8
135.11696	26.2
137.09550	5.8
141.06984	7.7
142.07800	17.2
143.08556	37.1
144.09360	10.3
145.10138	75.6
147.11667	25.3
149.13310	4.7
154.07845	4.5
155.08568	12.1
156.09373	13.6
157.10149	57.3
159.11703	52.4
161.09644	5.3
161.13249	19.3
163.11255	4.8
165.09131	6.4
167.08574	12.0
167.10742	5.5
169.10141	32.3
170.10814	7.5
171.11720	28.6
173.13284	21.4
175.14871	18.3
179.08592	8.3
180.09413	5.1
181.10100	18.8
182.10941	11.4
183.11719	18.1
185.13306	21.8
187.14845	14.1
193.10144	8.2
194.10884	8.2
195.11717	17.7
197.13242	28.2
199.14842	12.0
201.16447	9.5
203.14371	14.5
207.11781	8.0
208.12518	6.2
209.13255	24.0
210.14055	9.1
211.14856	20.3
213.16342	6.7
215.14275	5.6
219.11751	5.3
221.13260	12.9
221.15451	15.9
223.14799	23.6
225.16432	9.4
232.12248	4.8
235.14818	9.8
237.16263	5.1
239.17981	8.1
247.14740	4.9
248.15381	4.4
249.16373	6.0
251.18040	8.4
253.19508	8.5
261.16360	7.8
263.17972	7.4
265.19714	6.4
275.17731	5.3
279.20981	4.8
283.20566	5.1
289.19598	4.7
345.25742	17.2
346.26501	15.0
509.37836	4.9
549.40662	11.4
567.41937	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	568.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.2
53.03939	4.7
55.05515	13.0
57.07076	8.3
59.04993	3.1
65.03943	3.8
67.05511	17.4
69.03424	4.0
69.07076	12.6
69.47282	3.6
69.47713	3.3
70.06603	2.1
71.05005	1.8
71.08643	2.4
77.03915	1.7
79.05499	26.6
80.06277	2.6
81.07060	37.8
83.04961	3.1
83.08595	5.3
85.06537	4.2
85.10201	1.6
88.07635	4.1
91.05483	47.0
92.06276	1.8
93.07050	55.1
94.07842	1.8
95.04971	42.4
95.08618	27.4
95.09231	0.8
97.06548	2.1
97.10186	1.6
102.09184	2.5
103.05479	4.0
105.04565	2.2
105.07036	85.4
106.07863	6.3
107.04947	1.3
107.08597	45.1
108.09396	2.3
109.06532	5.0
109.10167	19.8
110.07278	1.4
110.81872	0.9
111.08089	2.0
115.05428	5.9
116.06258	1.8
117.06235	1.9
117.07027	30.1
118.07836	2.2
119.08588	100.0
120.09439	7.5
121.06525	3.4
121.10150	31.8
123.08084	14.9
123.11710	7.6
125.09626	2.6
128.06207	9.7
129.07016	18.0
130.07811	10.4
131.08577	49.1
132.09373	11.5
133.10141	58.1
134.10986	5.9
135.08098	5.8
135.11691	17.3
137.09619	6.5
137.13277	1.9
138.10423	7.1
139.11195	2.0
141.07021	7.7
142.07788	16.9
143.08569	48.2
144.09351	15.4
145.06448	1.8
145.10127	92.5
146.10979	6.0
147.08032	2.1
147.11703	25.1
148.12453	1.7
149.09619	5.7
149.13264	3.8
151.11191	2.8
151.14742	1.2
153.06976	4.3
154.07753	2.8
155.08569	18.1
156.09358	19.2
157.10136	48.7
158.10934	9.2
159.08096	3.0
159.11693	39.4
159.13028	1.2
160.12430	1.9
161.09596	6.0
161.13248	9.0
163.11189	2.7
163.14803	1.3
165.07004	4.5
166.07813	2.8
167.08600	9.9
168.09341	7.0
169.10130	26.7
170.10905	9.4
171.11690	35.6
172.12520	6.7
173.09665	2.0
173.13269	30.7
174.13948	1.7
175.11238	1.4
175.14830	21.3
177.12767	6.8
179.08560	9.9
180.09341	4.9
181.10130	16.4
182.10876	7.4
183.10059	1.4
183.11703	27.2
184.12433	5.1
185.13277	24.2
186.14056	7.3
187.11186	1.7
187.14809	14.1
189.12750	4.7
189.16336	1.9
191.14314	10.8
192.09370	2.6
192.15074	2.4
193.10155	10.6
193.15828	1.7
194.10936	9.5
195.11697	19.9
196.12462	8.8
197.13292	27.7
198.14009	7.3
199.11177	1.8
199.14819	11.3
200.15535	1.8
201.12709	5.1
201.16382	8.0
203.14287	3.2
204.15102	1.6
205.10077	2.4
205.15924	2.1
206.10905	3.2
207.11707	11.5
208.12534	6.4
209.13264	27.0
210.14032	3.5
211.14832	20.4
212.15660	2.3
213.12743	1.2
213.16376	6.6
215.14348	2.3
217.15910	6.6
218.10956	1.8
218.16743	1.7
219.11708	3.3
219.17392	2.5
220.12436	3.1
221.13220	8.3
222.13994	2.0
223.14836	11.8
224.15526	3.5
225.16388	9.7
226.17140	4.8
227.14372	1.4
227.17943	1.8
229.15852	1.4
230.11011	1.0
230.16727	1.2
231.11586	1.9
231.17365	2.0
232.12520	1.3
233.13257	4.5
234.13986	1.7
235.14764	7.6
236.15562	1.8
237.16344	10.1
239.18024	6.3
240.18768	1.0
241.15765	1.2
241.19507	3.5
245.13315	3.3
246.14040	1.9
247.14848	3.9
248.15675	1.5
249.16388	6.2
251.17972	4.6
252.18694	1.5
253.19676	1.5
255.17358	1.8
255.21132	1.5
257.19043	3.7
259.20493	3.7
261.16345	4.5
262.17166	1.3
263.18057	3.3
264.18652	1.6
265.19519	6.4
267.17365	1.2
267.21057	2.3
269.18994	2.0
270.19818	2.9
271.20612	1.4
272.21469	1.4
273.16354	2.4
275.18060	2.3
277.19510	4.1
278.20010	1.3
279.21176	2.9
283.20578	4.4
283.26382	4.0
284.29480	5.7
285.22235	2.7
289.19424	1.4
291.20938	2.0
295.20483	2.1
297.22040	2.8
305.22659	2.3
309.22198	1.5
311.29404	6.4
312.32681	3.8
317.22626	1.1
321.22165	1.4
323.23834	7.7
331.23895	1.5
337.25241	2.1
338.26059	44.9
349.25003	1.6
351.26996	1.7
362.25977	1.3
363.26340	1.1
375.26550	1.6
410.85489	1.2
415.29941	2.1
420.30292	2.8
430.32281	13.8
458.35129	1.6
476.36588	17.6
540.79132	1.4
568.42822	24.2
568.56616	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82967	1.1
53.03939	3.6
53.51167	1.3
55.01868	1.9
55.05505	6.1
57.07066	1.1
58.78581	1.1
60.18480	1.1
61.02932	1.5
61.13058	1.2
65.03938	2.7
67.05510	47.4
68.99784	3.0
69.03432	13.8
69.07061	10.6
70.05939	6.0
71.04984	2.6
79.05492	10.3
81.03419	11.2
81.07064	33.2
83.04971	5.2
83.08649	1.2
85.02905	7.6
85.06550	1.4
87.00820	5.4
91.05483	10.3
93.07047	13.9
95.04974	8.0
95.08616	16.3
97.02889	8.6
97.06526	3.7
97.10155	1.2
98.20840	1.8
99.04460	3.0
105.01857	2.4
105.07043	16.4
107.08605	23.3
109.02888	12.7
109.06532	7.1
109.10165	100.0
111.04443	1.3
115.03938	1.4
117.06979	2.9
119.08591	10.9
121.06524	5.8
121.10166	10.9
123.04447	1.3
123.08075	4.5
123.11726	10.9
127.03943	7.3
128.06184	1.6
129.01819	2.9
129.06996	1.9
129.16039	1.1
131.08539	9.2
133.10127	11.3
135.08057	5.0
135.11697	5.8
137.05968	3.2
137.09645	6.0
139.11198	1.8
142.07811	1.5
143.08572	4.4
145.10112	8.9
147.04449	1.3
147.08022	4.5
147.11699	6.2
149.06004	1.6
149.09608	10.7
149.13220	1.4
151.11165	8.1
153.09081	1.4
156.09290	1.9
157.10129	5.1
158.90891	1.3
159.08057	2.8
159.11668	6.9
161.09647	5.8
161.13260	3.6
161.74533	1.3
163.03896	1.6
163.11168	3.9
163.14793	1.1
165.09088	6.9
167.10677	5.0
169.10176	1.1
171.07968	1.6
171.11679	3.8
173.09554	3.6
173.13264	4.6
175.07607	1.5
175.11143	4.9
175.14882	2.2
177.05452	1.8
177.09085	6.6
179.10724	3.2
185.09624	1.4
185.13232	2.7
187.14842	1.4
188.57944	1.2
189.12773	2.9
191.10754	2.4
191.14365	2.7
193.12242	1.8
195.10135	1.2
197.13164	1.8
199.11183	5.5
199.14845	1.8
200.15402	1.1
201.12727	2.2
201.16370	1.9
202.82191	1.3
203.14319	2.5
213.12685	3.2
213.16299	1.3
215.14285	2.3
217.12212	2.3
217.15952	1.2
219.13823	8.8
231.05080	1.5
231.13811	2.0
237.14891	3.8
241.15883	1.3
255.20943	1.3
259.13196	1.4
265.19354	1.4
283.20618	2.4
301.21658	6.3
319.22659	4.9
409.23672	2.7
427.24783	4.8
445.26248	1.8
463.26596	1.5
531.25775	2.2
549.26709	9.0
567.27997	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	567.2781
Annotation	Ghalakinoside
Peak:m/z	Relative Intensity
52.59519	0.6
53.60784	0.6
57.03444	0.8
57.17433	0.5
59.05003	0.7
63.64096	0.5
67.05509	0.9
69.21572	3.7
69.21984	1.9
79.05487	1.6
81.03432	0.9
81.07059	2.0
83.08662	0.6
85.02921	0.8
91.05489	0.9
91.78094	0.7
93.07067	1.1
95.05000	0.6
95.08644	0.7
97.02934	0.6
107.04960	0.8
107.08553	0.7
109.10178	0.9
110.37451	0.6
119.08586	0.9
121.10157	0.7
145.10081	0.8
173.53297	0.7
185.04274	0.9
201.03793	0.6
331.10007	3.7
373.14771	1.4
387.16370	1.3
387.21194	0.9
405.22305	1.4
455.18866	1.2
469.20483	6.1
498.21188	0.7
549.26727	25.8
550.27130	1.2
567.27783	100.0
568.28339	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	566.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.6
57.03443	0.4
59.40574	0.4
67.05501	1.1
69.03433	1.2
70.17233	1.4
79.05495	1.0
80.73877	0.4
81.03413	1.3
81.07054	0.7
82.10136	0.3
83.30711	0.4
85.02923	2.1
87.00832	0.7
91.05475	0.8
94.06563	1.6
96.08112	0.6
97.02901	0.6
105.07030	0.6
107.04975	0.7
109.02837	0.4
109.06524	0.5
115.05464	0.6
117.07024	7.7
119.08615	0.8
122.06041	1.1
127.03915	1.8
128.06216	0.9
129.06981	0.6
131.08568	0.9
133.06496	0.8
140.07042	2.3
141.53885	0.4
143.08572	3.2
144.07959	0.5
145.05070	0.3
145.06477	2.5
155.08562	2.7
158.09657	0.9
165.07039	0.5
170.09674	0.5
171.08061	5.5
173.05972	3.2
180.09383	1.2
181.10138	0.6
185.05949	0.5
186.09132	0.9
192.09552	0.4
195.11736	2.5
197.13284	1.6
205.10173	0.6
212.14394	2.2
214.08640	43.9
215.09029	0.7
218.33572	0.5
222.12839	0.8
223.11220	1.1
225.12791	0.7
226.08681	1.7
235.09911	1.5
235.56126	0.4
240.13931	2.5
250.12328	1.2
253.10936	0.6
268.13345	35.8
269.13635	0.6
276.68243	0.5
300.15964	100.0
301.16254	1.7
308.25439	0.4
315.00830	0.4
318.17029	17.6
354.46640	0.4
363.42047	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.6
55.05503	1.9
59.04999	1.6
62.67530	0.5
62.78543	0.5
67.05522	3.0
69.03413	0.6
69.07071	0.7
71.49083	0.8
71.49467	0.7
72.96352	0.5
73.02922	7.1
79.05499	3.1
81.03443	0.6
81.07050	3.5
83.08613	1.2
87.04491	0.6
88.68460	0.5
89.06047	1.3
91.05459	3.0
93.07063	3.1
95.04974	1.5
95.08636	2.7
103.03960	1.0
103.05488	1.0
105.03384	0.7
105.07036	9.9
107.08616	1.6
109.10162	1.4
117.06995	1.0
119.08625	2.4
121.10186	1.9
123.08105	0.6
123.11694	0.6
129.07036	0.8
131.08585	1.5
133.08641	0.6
133.10110	2.6
135.08038	0.8
135.11723	1.4
137.09596	0.5
145.10153	1.6
147.08102	1.3
147.11684	0.8
149.88957	0.5
155.38354	0.5
159.11745	0.8
169.10196	0.7
173.13350	1.0
181.10153	0.6
182.39920	0.6
207.13733	0.6
235.13213	0.8
249.12775	1.0
277.21518	1.5
283.20175	0.5
311.22025	4.8
313.27188	1.3
327.17380	0.7
405.22128	3.3
455.35281	0.6
547.39600	1.5
565.34277	4.4
565.44470	100.0
566.44971	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
53.46453	0.5
67.05504	1.1
69.47612	0.5
69.97595	2.1
69.97991	1.1
79.05491	0.9
81.03417	1.5
81.07042	0.7
85.02877	1.9
89.39872	0.7
91.05474	0.9
94.06570	1.3
95.05018	0.7
95.39185	0.5
96.08098	0.7
97.02872	0.9
105.07001	0.5
106.06537	0.6
115.05422	0.7
117.07037	7.4
122.06013	1.8
129.06995	0.9
131.08571	1.0
133.06509	0.5
134.05960	0.8
140.07076	2.0
143.08540	2.9
145.06477	2.3
148.42682	0.5
155.08548	2.6
158.09753	0.6
160.07619	0.7
165.07007	0.8
171.08049	4.6
172.21123	0.5
172.70810	0.6
173.05986	2.4
180.08073	0.9
180.30144	0.5
186.09146	1.3
194.09679	0.7
195.11700	1.9
197.13246	1.9
212.14313	1.2
214.08632	44.3
215.09052	0.8
222.12799	0.9
223.11189	0.8
226.08633	2.0
235.09927	1.4
240.13881	2.7
250.12254	1.5
268.13333	37.1
269.13824	0.7
300.15952	100.0
301.16382	2.2
318.16995	17.9
379.57025	0.5
587.35077	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26751	5.6
55.05506	24.3
57.00145	5.8
57.07068	21.2
59.53979	5.1
67.05514	42.3
69.03430	7.2
69.07083	28.3
69.32435	53.7
71.08610	7.0
79.05497	26.2
81.07059	59.9
83.08630	16.5
91.05487	49.2
93.07056	55.5
95.04951	13.3
95.08622	55.6
97.06567	6.1
98.20769	11.7
103.77624	5.8
105.07039	87.2
107.08611	55.4
109.06531	8.8
109.10167	51.2
115.05443	9.4
117.07011	16.6
119.08597	100.0
121.10181	59.2
123.08088	8.2
123.11719	17.7
128.06261	12.0
129.07005	19.3
130.07829	11.1
131.08594	50.2
133.10120	58.1
135.11716	35.1
140.12738	6.2
141.07028	7.0
142.07782	18.4
143.08580	47.7
145.10139	64.9
147.07982	6.2
147.11699	19.4
149.09613	8.8
153.07054	6.5
155.08553	17.8
156.09343	12.4
157.10118	56.7
159.08058	11.4
159.11739	30.6
161.13268	6.4
167.08598	8.9
167.10680	7.7
168.09322	9.4
169.10158	25.9
171.11670	28.6
173.09563	7.0
173.13283	21.6
175.14848	35.5
175.21425	5.8
179.08620	8.6
181.10146	16.6
182.10825	14.0
183.11682	18.2
185.13329	17.0
187.14790	17.4
193.10164	13.2
194.10927	10.8
195.11714	20.8
197.13242	24.8
199.14714	8.5
201.16377	9.5
206.10947	11.9
207.11652	19.0
208.12506	10.0
209.13249	19.6
211.11224	6.9
211.14822	11.4
219.11752	7.0
221.13310	11.1
222.14104	8.7
223.14807	16.3
225.12758	8.7
247.15044	7.7
273.18570	32.4
279.20975	8.9
282.28067	12.9
289.15796	6.2
299.20081	50.1
319.24313	7.1
395.63062	6.0
410.27829	5.9
473.33823	12.1
539.88837	7.0
552.90497	6.7
565.40503	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	565.4045
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	18.3
57.07074	12.5
61.04956	3.7
65.03948	3.8
67.05516	42.2
67.59649	3.6
69.07072	27.7
69.57985	12.5
69.58396	6.3
71.08624	6.6
72.69472	3.2
79.05486	24.8
80.69643	3.3
81.07060	44.1
83.08631	13.6
91.05486	37.4
93.07042	38.3
95.05004	4.5
95.08604	51.8
98.21489	6.9
103.05460	6.4
105.07037	70.1
107.08606	48.9
109.06548	5.4
109.10160	57.6
116.06208	4.3
117.07031	18.2
119.08583	100.0
121.06545	4.8
121.10163	65.2
122.10500	3.8
123.08107	9.6
123.11718	16.3
128.06238	12.0
129.07025	15.6
130.07741	5.6
131.08600	35.3
133.10141	46.9
135.08098	8.7
135.11708	35.2
137.09691	3.8
141.06978	7.6
142.07802	21.5
143.08545	31.1
145.10144	54.7
147.08139	4.6
147.11685	24.2
149.09663	6.5
149.13239	4.8
153.06975	5.3
155.08557	16.4
156.09392	12.6
157.10149	50.1
159.08070	11.3
159.11688	29.5
161.13278	11.0
165.07057	4.8
167.08626	10.0
167.10701	9.0
168.09485	4.7
169.10158	25.0
170.10948	4.2
171.11676	27.8
173.09660	9.1
173.13271	21.1
175.11238	7.7
175.14841	34.9
177.12827	10.7
179.08591	11.7
180.09315	6.2
181.10072	17.9
182.10954	9.3
183.11710	26.9
184.12398	4.7
185.09743	5.2
185.13278	14.2
187.14870	11.4
192.09404	6.9
193.10167	13.5
194.10956	8.5
195.11707	20.7
196.12433	4.5
197.13284	34.8
199.11179	9.8
199.14752	6.0
201.16399	10.2
205.10127	5.4
207.11711	10.1
208.12442	10.1
209.13290	14.9
211.14828	9.4
213.12811	4.2
213.16432	4.7
215.14450	5.9
219.11798	6.1
219.13779	7.3
221.13327	16.2
223.11359	4.0
223.14873	21.1
225.12871	4.7
233.13310	5.2
235.14743	6.2
237.16425	11.0
239.14363	5.2
239.18045	4.4
243.11896	4.4
245.13333	5.1
246.14099	5.4
247.14789	8.3
248.15735	3.8
255.17610	4.1
259.14746	5.0
261.16510	4.5
265.19510	4.3
273.18692	28.3
277.16232	4.4
279.21198	10.1
282.28009	5.4
299.20117	43.8
351.23254	4.7
363.23096	5.8
377.24866	5.1
443.29248	6.6
467.37003	5.0
473.33771	5.4
509.80212	4.0
565.40588	48.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4044
Annotation	28380-31-6
Peak:m/z	Relative Intensity
53.03950	3.1
55.01894	1.3
55.05516	8.1
56.59886	1.1
57.07078	7.7
59.05000	1.8
61.24160	1.0
65.03942	2.5
67.05506	17.6
69.03428	3.4
69.07072	10.9
69.40881	4.1
69.41293	4.5
71.04992	1.3
74.09712	2.8
74.43142	1.1
79.05499	17.4
81.03452	1.9
81.07059	22.5
81.89445	1.1
83.04977	4.8
83.08629	7.9
85.06547	3.8
87.04502	2.0
87.35819	1.3
91.05489	24.2
93.07054	28.6
95.04971	12.9
95.08614	21.1
97.06544	5.1
97.10164	2.7
103.05467	3.0
105.04533	1.6
105.07038	46.8
107.04992	1.3
107.08598	27.4
109.02885	1.2
109.06544	5.2
109.10168	18.1
111.08062	1.9
113.06036	1.8
115.05478	4.1
117.07003	8.3
119.08591	46.2
121.06529	2.8
121.10153	33.4
123.04481	1.8
123.08096	6.4
123.11703	7.1
125.09653	3.2
128.06256	5.0
129.07019	9.0
130.07776	2.9
131.08586	19.6
133.06502	1.1
133.10139	29.6
133.11116	2.0
135.08035	5.8
135.11702	11.9
137.09645	5.1
139.11183	1.4
141.06993	5.6
142.07785	9.6
143.08569	24.1
143.09581	2.2
144.09380	4.3
145.06502	1.5
145.10130	31.5
147.08093	4.6
147.11705	12.0
149.09628	6.3
149.13269	2.4
151.07597	3.5
153.06975	1.9
153.09027	1.3
154.07846	3.4
155.08534	9.1
155.10706	1.6
156.09338	9.9
157.08835	1.6
157.10136	30.3
158.10896	4.5
158.12097	1.3
158.49129	1.3
159.08101	3.8
159.11697	18.3
161.09645	2.6
161.13293	3.5
163.11208	4.7
165.07008	3.5
165.09116	6.8
166.07822	1.8
167.08588	5.8
167.10658	12.1
168.09402	2.8
169.10153	16.4
170.10942	5.4
171.11707	18.7
172.12419	2.0
173.09616	2.9
173.13284	16.1
175.11263	2.8
175.14864	5.8
179.08586	6.4
180.09380	3.3
181.10143	11.3
181.11531	1.2
181.12399	1.5
182.10890	5.5
183.11699	13.7
184.12439	2.0
185.13266	14.6
187.11369	1.8
187.14824	6.3
189.12851	3.7
189.16478	1.2
191.08568	1.3
191.14336	2.5
192.09435	2.8
193.10135	9.0
194.10973	5.2
195.11711	15.7
196.12532	5.6
197.13283	15.5
199.14819	8.6
201.12787	1.8
201.16428	2.8
203.14372	4.8
205.15889	1.6
206.10922	4.4
207.11749	11.5
208.12526	4.4
209.13293	16.3
209.15196	2.2
210.13939	2.8
211.14847	9.8
213.12755	2.0
213.16380	4.0
215.14323	7.1
217.10233	2.6
217.15903	2.0
218.10928	2.7
219.11757	4.5
220.12535	3.3
221.13290	9.6
221.15460	13.7
222.14047	2.4
223.11311	1.7
223.14775	9.8
225.16452	4.2
227.17952	1.4
229.15993	2.9
231.11789	3.6
231.17482	1.6
232.12547	3.7
233.13292	6.4
233.15454	4.5
234.14101	5.3
235.15157	6.5
235.16956	1.7
236.15793	1.2
237.12779	1.4
237.16371	7.5
239.18060	3.9
243.11746	2.3
244.12573	2.0
245.13213	6.1
246.14192	4.1
247.14851	5.5
248.15747	2.4
249.16396	5.9
250.17160	1.5
251.17944	6.7
253.19679	3.8
255.17430	1.4
257.13248	2.2
257.19116	1.7
258.14166	1.4
259.14911	4.9
260.15701	2.2
261.16464	5.6
263.17947	6.4
265.19650	5.7
269.19116	2.4
271.14917	3.3
273.16318	3.1
273.18768	1.7
274.17282	1.5
275.17902	6.2
277.16327	2.0
277.19592	5.9
279.21066	3.3
281.13239	1.3
283.14758	1.6
283.20557	1.4
284.15854	1.4
285.16357	2.6
287.18033	1.6
289.19455	2.4
291.21127	3.1
293.19043	1.9
295.20688	2.9
299.17789	2.3
301.19705	2.7
303.21091	1.4
305.19177	1.2
305.22607	1.5
309.16809	2.3
310.17255	1.6
313.19397	2.0
313.27454	3.6
315.21234	1.7
317.22775	2.3
319.24362	1.6
327.21326	1.9
329.22614	1.6
331.24191	2.4
335.23596	1.6
339.21155	1.3
343.24329	3.7
345.25848	2.6
347.23795	2.5
349.25323	1.6
355.24460	1.7
357.25879	3.1
365.24890	2.8
409.29037	1.5
425.28409	1.5
473.34152	5.2
490.12445	1.6
507.36221	1.4
509.34055	2.1
529.38098	1.5
547.39374	15.7
565.40460	100.0
566.40869	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4043
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.1
55.01865	2.0
55.05515	9.8
55.39771	1.7
57.03444	1.7
57.07083	9.3
59.05000	3.3
65.03936	2.7
67.05508	19.6
69.03425	5.9
69.07077	17.6
69.07429	2.3
71.08614	2.3
73.02925	3.8
79.05494	23.0
80.06387	1.6
81.03430	5.3
81.07055	29.4
82.90821	1.7
83.05006	2.4
83.08633	6.6
85.06548	3.3
89.19039	1.6
91.05485	32.1
91.06020	2.2
93.07047	36.1
95.04964	9.1
95.08611	26.8
95.09183	2.2
97.06535	5.9
97.10198	2.7
103.05494	3.2
105.04536	1.5
105.07037	59.1
107.08604	30.7
107.09325	2.6
109.02892	3.3
109.06541	4.5
109.10169	20.0
111.04462	1.8
111.08111	3.2
111.11768	1.7
115.05478	2.8
117.07036	11.1
119.08589	49.9
121.06499	2.9
121.10149	40.9
123.04445	5.3
123.08075	6.4
123.11741	6.1
125.06018	1.9
125.09605	1.8
128.06227	7.7
129.06999	8.4
130.07805	2.9
131.08580	18.9
133.06516	2.7
133.10141	35.8
135.08060	3.3
135.11699	17.0
137.09653	5.7
139.11176	1.8
141.07036	4.6
142.07764	11.4
143.08551	21.7
144.09348	5.2
145.10138	38.3
147.08081	5.5
147.11710	8.9
149.09663	6.3
151.07581	3.9
151.11206	1.8
153.07076	4.3
154.07808	2.9
155.08530	8.5
156.09325	8.8
157.10135	32.2
157.11334	2.6
158.10925	5.2
159.08119	3.0
159.11693	14.8
161.09665	3.0
161.13315	4.5
163.11177	4.8
165.07034	3.6
165.09175	7.2
167.08633	5.9
167.10674	22.1
168.09392	5.0
169.10156	20.7
170.10951	6.0
171.11694	18.0
173.09584	3.6
173.13248	17.5
175.11200	2.6
175.14877	6.9
176.33224	1.5
176.92622	1.6
179.08607	8.7
180.09392	3.6
181.10150	8.3
181.12250	3.5
182.10979	5.7
183.11757	13.5
184.12569	3.3
185.13274	12.8
187.11168	2.7
187.14905	6.2
189.12819	3.3
191.14281	2.6
192.09444	2.2
193.10184	6.4
194.10973	6.0
195.11746	10.1
196.12546	5.8
197.13258	14.8
198.14267	2.0
199.11182	2.2
199.14848	12.6
201.12878	2.4
201.16472	5.3
203.14397	5.1
205.10182	2.3
206.10889	4.6
207.11754	13.5
207.13641	2.5
208.12526	5.4
209.13290	15.9
209.15254	2.3
210.14044	2.8
211.11316	1.7
211.14819	10.5
213.16484	3.2
219.11777	5.2
220.12537	5.4
221.13303	10.6
221.15459	14.5
222.14059	2.5
223.11392	1.5
223.14891	9.4
225.16403	3.7
227.14386	1.7
227.17998	1.9
229.10182	2.5
231.11685	7.4
232.12668	2.0
233.13264	5.3
233.15504	8.1
234.14075	3.1
235.13023	3.5
235.14894	7.5
236.15625	1.8
237.16438	5.5
239.18059	2.9
241.19769	2.0
243.11702	3.1
244.12535	2.2
245.13432	5.8
246.14038	3.6
247.14871	7.0
248.15698	1.6
249.16429	3.9
251.18050	2.8
253.19511	2.9
257.13446	2.9
258.14084	2.5
259.14893	3.8
260.15491	2.8
261.16446	6.6
263.17963	6.5
265.19553	4.3
265.25204	1.7
271.14850	2.9
272.15799	2.0
273.16345	5.7
275.18076	6.5
277.19559	3.9
287.17944	2.5
289.19583	3.8
301.19403	3.2
303.21149	2.0
305.22354	1.9
309.16843	4.2
313.27438	7.8
315.21179	3.3
317.22501	1.8
321.22620	2.0
331.24362	3.1
341.22684	2.0
343.24301	4.3
409.28882	1.9
473.34488	8.2
547.39667	14.1
565.40466	100.0
566.39752	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	565.4041
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79535	1.0
53.03938	4.0
55.05510	9.8
57.07073	6.8
59.04993	2.0
64.96876	1.1
65.03930	1.6
67.05512	14.2
69.03421	4.7
69.06786	1.0
69.07076	10.9
69.80203	2.7
69.80617	4.0
79.05495	15.1
81.07064	23.5
83.04970	3.5
83.08636	5.5
85.06548	3.0
91.05489	27.0
93.07050	34.0
95.04984	6.4
95.08611	19.0
95.61662	1.1
97.06519	3.4
97.10180	1.3
97.21855	1.1
98.20877	1.4
103.05490	3.0
105.04537	1.8
105.07039	49.2
107.08596	27.0
109.06515	4.8
109.10169	17.2
115.05473	3.2
117.07024	10.8
119.08588	51.9
121.06519	2.4
121.10152	41.0
123.08078	8.6
123.11686	6.5
125.05975	1.8
125.09629	1.6
128.06258	8.5
129.06992	10.0
130.07796	4.8
131.08574	20.0
133.06569	1.3
133.07616	1.8
133.10141	35.3
135.08076	5.0
135.11705	13.1
137.09612	5.3
139.11208	1.6
141.06999	4.6
142.07791	15.7
143.08569	24.1
144.09346	5.0
145.10124	35.6
147.08080	8.0
147.11679	13.0
149.09627	5.9
149.13255	1.4
151.07552	4.1
153.06978	2.7
154.07767	3.4
155.08592	10.2
155.10657	1.3
156.09369	13.5
157.10136	35.2
158.10963	4.9
159.08046	3.8
159.11703	22.0
161.09653	3.9
161.13295	6.4
163.11198	4.5
165.07004	5.9
165.09108	8.9
166.07796	3.2
167.08563	8.3
167.10677	15.0
168.09366	5.9
169.10147	17.9
170.10901	6.5
171.11684	23.7
172.12497	1.9
173.09679	2.6
173.13284	15.6
175.11275	2.2
175.14841	6.5
178.07765	1.9
179.08568	10.7
180.09369	4.5
181.10143	12.5
181.12256	3.6
182.10921	6.0
183.11703	16.2
184.12489	2.7
185.13292	16.4
187.11214	1.3
187.14842	9.8
189.12762	4.1
191.08627	1.7
191.14381	2.3
192.09378	4.2
193.10139	11.7
194.10973	9.3
195.11708	16.9
196.12390	5.3
197.13239	17.6
198.14064	1.6
199.14841	11.0
201.12743	1.5
201.16389	5.7
203.14374	5.2
204.09288	1.7
205.10161	4.0
206.10878	6.6
207.11722	12.5
207.13777	2.6
208.12421	5.9
209.13284	20.8
209.15247	0.7
210.13957	2.3
211.14828	12.3
213.12816	1.5
213.16312	4.9
215.08751	1.5
215.14362	4.9
217.10179	2.3
217.15875	2.0
218.10902	2.6
219.11684	6.5
220.12415	5.8
221.13278	12.3
221.15417	15.2
222.14107	3.5
223.11333	1.3
223.14850	9.9
224.15489	1.2
225.12958	1.9
225.16382	7.6
227.14406	1.4
227.18001	2.2
229.10173	2.1
229.15828	2.0
230.10835	1.6
231.11681	5.5
232.12480	3.5
233.13269	6.5
233.15460	5.3
234.14018	3.0
235.14848	10.1
235.17009	1.7
236.15610	1.6
237.12794	1.4
237.16331	7.0
239.14314	1.6
239.17928	6.5
241.16066	1.2
243.11827	3.1
244.12476	2.3
245.13300	5.8
246.14030	3.1
247.14830	8.3
247.16933	2.3
248.15677	2.6
249.16429	5.9
250.17064	1.2
251.17989	6.6
253.19656	3.0
255.17493	1.2
256.12515	1.6
257.13306	3.1
257.18906	1.2
258.13913	2.4
259.14767	5.2
260.15622	3.9
261.16418	5.8
262.17255	1.8
263.14655	1.0
263.17914	7.3
264.18701	1.3
265.19510	6.6
267.17575	1.2
269.13312	1.5
269.19009	2.0
271.14764	3.2
272.15594	2.0
273.16086	5.5
274.17224	1.5
275.17938	5.4
277.19547	4.7
279.21188	3.2
281.19052	1.1
283.14642	2.1
283.20514	2.6
284.15558	2.0
285.16229	2.8
287.17908	3.6
288.18646	1.4
289.19553	4.6
291.21158	1.6
293.19049	2.4
295.20718	2.6
297.16501	1.5
301.19559	3.1
303.21100	2.2
307.20850	1.3
311.17883	2.5
313.19327	2.4
315.21100	2.6
317.22632	2.5
319.24182	1.4
327.21008	1.9
329.22595	3.0
331.24283	3.7
339.21191	1.7
341.22476	2.4
343.24295	2.9
345.25818	1.6
347.23792	2.5
357.25992	2.5
365.24728	3.2
371.24191	1.3
378.45877	1.1
383.27405	1.5
385.29099	1.6
389.24469	1.2
407.27930	1.5
425.28677	1.2
459.32214	1.7
473.34073	5.2
481.34793	1.2
485.33768	2.1
491.33005	1.4
491.46085	1.1
507.35690	1.3
509.34222	3.0
547.39508	12.7
565.40436	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4042
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15865	0.9
53.03936	4.0
55.05515	8.9
57.07077	5.6
59.05000	2.1
65.03931	2.2
66.14012	0.9
67.05506	16.3
69.03439	4.9
69.07071	12.0
77.03912	1.4
79.05492	16.0
79.71143	0.9
81.06594	1.6
81.07059	22.4
83.04971	3.7
83.08611	4.0
85.06536	2.3
91.05482	26.6
93.06487	1.8
93.07048	31.8
95.04987	6.0
95.08605	24.6
97.06525	3.3
98.21560	2.1
103.05489	3.1
105.04588	1.0
105.07027	56.2
107.08591	27.3
109.06526	4.8
109.10164	14.5
111.08109	1.5
115.05454	3.4
116.06202	1.1
117.07023	10.4
119.08583	53.4
121.06514	4.5
121.10146	34.7
121.56551	1.0
123.08067	8.8
123.11750	5.2
125.05981	3.2
125.09611	1.7
128.06229	8.1
129.07001	11.4
130.07793	4.0
131.08562	16.7
133.06509	1.7
133.07619	1.6
133.10133	26.3
135.08035	5.3
135.11690	10.0
137.09650	5.6
139.07532	1.2
139.11221	1.3
141.06996	5.6
142.07777	16.4
143.08560	24.2
144.09340	5.4
145.06540	1.1
145.10129	30.6
147.08031	8.1
147.11688	9.8
149.09627	3.1
149.13257	1.3
151.07532	7.6
151.11137	1.2
152.06099	1.2
153.07004	2.8
154.07759	3.2
155.08563	13.5
156.09355	11.3
157.10135	30.9
158.10916	5.0
159.08037	1.9
159.11697	18.1
161.09645	2.1
161.13284	5.1
163.11157	5.9
165.07005	4.1
165.09105	19.4
165.10501	1.0
166.07800	1.5
167.08588	6.8
167.10699	7.0
168.09341	3.6
169.10127	14.2
170.10913	6.4
171.11679	17.9
173.09656	3.3
173.13269	15.6
175.11261	3.1
175.14816	5.6
178.07858	1.5
179.08531	8.2
180.09386	4.6
181.10118	10.0
181.12280	3.9
182.10896	4.8
183.11705	16.1
184.12541	2.7
185.09657	2.4
185.13254	15.8
187.14851	4.9
189.12802	2.8
191.08656	1.8
191.14420	1.5
192.09369	3.5
193.10175	10.9
194.10905	8.7
195.11685	15.2
196.09010	1.0
196.12540	4.2
197.13235	14.1
199.11157	1.3
199.14799	10.0
201.16376	2.7
202.07727	1.1
203.08704	1.5
203.14334	7.9
204.09442	1.3
205.10120	4.1
206.10942	6.5
207.11711	14.3
207.13777	3.1
208.12457	5.6
209.13266	17.3
209.15103	1.2
210.14093	3.0
211.14870	6.7
213.16322	5.2
217.10147	2.8
217.15791	1.4
218.10899	2.6
219.11627	6.7
220.12498	3.9
221.13261	11.2
221.15413	34.8
222.13931	3.2
223.14806	11.7
224.15494	1.2
225.16426	3.4
227.14328	1.1
227.17903	1.8
229.10130	1.7
229.15953	1.9
230.11026	1.4
231.11757	5.2
232.12523	4.0
233.13261	9.2
233.15399	3.5
234.14067	3.6
235.14838	8.5
236.15570	1.9
237.16422	6.4
239.17838	4.9
241.15858	1.3
243.11678	2.0
244.12538	3.5
245.13350	4.0
246.14107	4.1
247.14807	6.6
247.17113	1.6
248.15660	2.6
249.16409	4.6
250.17036	1.9
251.17960	3.9
253.19560	3.8
257.13251	2.5
258.14069	2.6
259.14780	6.1
260.15604	3.1
261.16400	6.9
262.17258	1.1
263.17911	7.7
265.19641	5.6
267.17365	1.2
271.14813	3.4
272.15561	1.7
273.16431	4.6
274.17166	1.7
275.17981	5.0
275.47916	1.0
276.18631	1.4
276.48441	1.0
277.19534	4.0
279.21112	3.1
281.19046	1.1
283.14874	1.4
283.20523	3.1
285.16190	1.3
287.17972	3.2
287.20599	1.2
289.19516	2.8
291.21033	2.0
293.23071	1.0
294.14111	1.2
297.16467	1.4
299.17856	1.8
301.19336	2.2
309.16388	1.3
311.17804	1.8
313.19339	1.8
315.20975	2.4
317.22488	1.3
327.20947	1.7
329.22818	2.5
331.24234	5.4
333.22046	1.4
355.24350	1.6
357.25763	5.1
365.24765	2.1
373.25296	1.5
385.29074	4.5
412.27945	1.0
425.28503	1.2
473.34149	12.3
485.34409	2.6
509.34109	2.6
547.39380	8.7
565.40430	100.0
566.40472	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.9
55.05525	12.3
57.07073	7.0
58.46698	1.9
59.04993	3.6
62.72139	1.9
65.03944	2.8
67.05511	22.3
69.03445	4.2
69.07071	13.6
71.08650	2.2
79.05498	20.7
81.07058	31.7
83.05014	4.5
83.08618	5.2
85.06541	3.6
89.10757	2.0
91.05496	31.4
93.07050	38.2
95.04987	4.8
95.08624	27.0
97.06554	4.3
97.10209	2.3
98.20656	4.3
102.00068	2.3
103.05461	2.5
105.07040	54.2
107.04960	2.1
107.08601	30.8
109.06539	5.0
109.10174	17.6
111.08104	2.4
111.44353	1.9
115.05505	5.6
117.07029	14.6
119.08590	59.4
121.06519	3.5
121.10153	46.7
121.22967	1.6
123.08044	10.5
123.11696	4.0
128.06236	8.5
129.06993	14.1
130.07809	3.7
130.33922	2.1
131.08572	25.3
133.06525	3.8
133.10139	39.0
135.08084	6.0
135.11693	14.4
135.25621	1.8
137.09650	6.7
141.07001	7.3
142.07799	17.5
143.08572	30.2
144.09354	4.6
145.10124	36.8
147.08083	10.2
147.11719	13.2
149.09647	8.5
149.13304	2.7
151.07608	4.2
153.07037	2.5
155.08594	10.8
156.09314	12.7
157.10146	35.7
158.10941	4.9
159.08115	4.8
159.11667	21.2
160.12466	2.6
161.09578	3.8
161.13330	5.9
163.11238	6.6
165.07080	3.6
165.09122	13.2
166.07877	2.3
167.08632	8.1
167.10751	10.8
168.09418	5.5
169.10129	23.0
170.10930	4.8
171.11694	26.4
173.09706	3.2
173.13280	19.9
175.14838	7.6
177.09135	2.4
177.93779	1.9
178.07837	2.6
179.08603	13.7
180.09381	3.8
181.10101	13.9
181.12285	4.9
182.10976	6.6
183.11722	12.5
184.12544	4.8
185.09622	2.4
185.13252	15.8
187.14882	7.0
189.12782	3.5
191.14342	2.6
192.09331	5.1
193.10185	12.8
194.10959	7.6
195.11729	15.8
196.12498	4.8
197.13258	14.6
199.11272	2.4
199.14769	10.4
201.12796	3.1
201.16292	3.0
203.14304	4.8
205.10170	4.6
206.10974	5.7
207.11760	12.6
207.13676	4.4
208.12555	4.2
209.13243	18.6
210.14116	3.5
211.11246	2.2
211.14900	5.0
213.16490	3.9
217.10199	5.3
217.15857	3.1
219.11734	6.2
220.12610	4.5
221.13293	11.5
221.15460	19.3
222.14049	3.3
223.14853	12.0
225.16454	3.0
227.14372	2.3
230.11005	2.5
231.11748	5.4
232.12436	3.9
233.13298	6.5
233.15459	4.5
234.13934	3.2
235.14885	7.7
237.12604	2.3
237.16481	7.5
239.18082	3.8
243.11713	3.2
244.12411	3.5
245.13356	6.8
246.14037	4.6
247.14827	5.6
247.17114	3.7
249.16359	5.1
251.18018	5.8
257.13226	3.0
259.14847	3.6
261.16400	7.8
263.17993	6.2
265.19638	5.9
269.19128	2.4
273.16476	3.7
275.17987	6.3
277.19595	3.7
283.20737	4.4
289.19507	2.5
293.19196	2.2
295.15222	2.7
299.17960	2.8
301.19479	3.8
309.16605	2.6
310.31195	3.9
313.27451	3.2
331.24301	5.5
357.25958	6.2
385.29117	2.6
407.29123	2.0
463.76981	2.0
467.01837	2.1
473.34161	13.3
547.39771	9.7
565.40515	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	0.6
56.96550	0.5
57.07044	0.4
67.05499	0.4
69.03394	0.3
69.07043	0.4
69.14468	1.0
69.14877	2.7
79.05459	0.4
81.03374	0.5
81.07038	0.6
83.90314	0.3
85.02850	0.6
95.08553	0.5
97.06525	0.4
98.21557	0.8
105.07037	0.4
107.08566	0.5
113.05771	0.4
113.66956	0.4
119.08553	0.4
125.09622	0.4
127.03907	0.6
131.08572	0.8
133.10129	0.4
149.01355	0.5
149.02347	5.5
149.10643	0.3
171.00496	0.4
183.75554	0.4
199.07254	1.2
200.07886	0.4
203.05299	0.5
240.65860	0.4
243.06274	0.7
245.08235	1.9
257.09952	0.4
261.07376	2.4
275.11057	2.4
299.12625	7.1
317.13687	17.3
335.15353	0.7
345.13132	1.3
359.14691	0.8
423.12625	1.1
445.18231	0.5
461.17795	0.8
479.18906	14.2
521.19983	52.9
522.20258	1.1
565.18945	100.0
566.19086	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	565.1556
Annotation	Neoisoschaftoside
Peak:m/z	Relative Intensity
53.73351	2.3
55.01868	7.9
61.02922	2.8
68.99786	3.2
70.84424	5.8
81.03400	4.3
85.02884	5.7
91.05489	4.8
93.03397	3.0
97.02879	5.1
107.04961	5.7
109.02879	5.5
119.04955	12.4
121.02875	100.0
121.06518	3.8
122.43468	2.6
131.05022	2.5
135.04475	5.8
139.03816	2.7
145.02893	3.6
151.03906	4.2
159.04459	5.4
161.02299	2.3
161.05905	2.8
163.03905	16.2
165.01854	5.6
175.03891	3.6
177.01868	6.8
177.05473	5.8
179.03398	4.1
187.03940	9.5
189.01845	10.5
190.02695	3.3
191.03404	9.6
195.02893	7.7
201.01918	3.1
201.05501	5.2
203.03400	21.9
205.04958	7.3
206.59200	2.6
207.02837	11.4
215.03435	8.5
217.05005	11.0
219.02902	10.7
221.04443	4.8
225.05566	2.6
227.03462	4.6
229.04984	8.3
231.03017	11.8
233.04572	3.3
241.04962	6.9
243.02890	11.0
243.06631	3.2
245.04434	5.6
247.01970	2.8
249.03949	3.3
255.02974	3.7
257.04559	2.7
259.06165	3.7
261.04007	10.3
267.06390	3.7
268.07367	3.2
269.04501	3.7
273.03973	6.3
279.06674	4.9
280.07269	2.9
281.08148	4.5
283.05997	8.9
285.03876	5.2
293.08072	6.3
294.05283	21.3
295.06012	86.6
296.06760	9.5
297.07629	11.2
305.07956	3.7
306.08881	4.0
307.06006	53.2
308.06775	17.4
309.04315	3.3
309.07550	18.7
313.06952	8.7
317.08167	4.3
319.06067	7.0
320.06824	8.9
321.07639	46.0
322.08496	9.3
323.09213	5.3
325.07104	73.3
325.13116	3.5
327.04935	3.5
333.07666	22.3
335.05704	3.0
335.09158	22.9
336.06345	4.6
337.07059	49.4
339.08734	3.2
345.07690	13.5
347.09235	12.0
349.07056	48.4
349.10977	4.3
351.08716	23.1
355.08218	8.0
361.07089	29.6
363.08682	26.9
367.08191	13.4
373.06949	13.9
375.08630	12.5
379.08115	75.2
387.08548	7.2
389.10400	3.4
391.08133	50.9
393.08301	8.3
397.09238	22.1
399.08383	3.1
401.10312	5.1
403.08020	11.0
405.09604	6.0
409.09235	68.9
411.09277	10.1
415.09271	10.8
417.09525	3.6
421.09244	10.8
427.10300	89.6
429.09485	5.3
433.03873	2.7
433.09143	14.9
439.10223	7.6
445.10818	13.2
451.10150	11.2
457.11295	15.3
463.10257	11.1
469.11417	19.2
475.10992	12.7
481.11362	39.5
493.11310	22.7
499.12500	28.1
511.12421	73.0
529.13452	42.1
547.14703	16.2
565.15344	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	565.1551
Annotation	Neoisoschaftoside
Peak:m/z	Relative Intensity
55.01876	5.9
56.94139	3.8
70.77895	5.2
70.78232	5.1
81.03431	4.5
85.02930	5.7
108.55979	2.8
119.04915	10.1
121.02883	43.5
129.08978	3.2
137.97516	2.8
145.02782	3.5
177.01826	8.5
179.03360	4.9
187.04025	4.2
189.01854	12.8
191.03397	8.4
195.02928	7.5
201.01764	4.2
203.03450	23.5
207.02869	5.6
215.03419	8.1
217.04924	8.9
219.03001	4.6
221.04453	5.0
231.02953	3.3
234.27722	2.8
243.02806	5.2
253.08476	3.0
255.02925	8.1
257.04617	3.6
268.07443	4.1
274.65363	3.3
279.06366	7.4
281.04669	3.7
281.07965	7.1
283.05923	8.5
293.08115	5.1
294.05307	21.2
294.08142	4.6
295.05975	99.9
296.06781	8.3
297.07703	6.5
307.06009	62.2
307.09467	4.8
308.06860	25.5
309.04208	4.8
309.07413	20.2
313.07062	5.1
317.08054	5.1
319.05966	9.2
320.06741	8.4
321.07614	48.7
322.08386	13.9
323.09052	5.5
325.07098	80.7
333.07712	21.8
335.09195	23.7
337.07053	70.7
339.08612	5.4
345.07538	11.0
347.09180	13.4
349.07095	60.0
349.10999	3.4
350.07684	3.3
351.08673	31.1
355.08014	13.0
359.09109	3.7
361.07010	37.3
363.08667	26.3
365.10208	4.4
367.08066	11.9
373.07166	8.4
375.08551	15.0
379.08130	100.0
385.07291	3.9
387.08398	5.0
391.08133	48.4
397.09229	44.1
399.08850	6.2
401.10184	5.0
403.08127	19.6
405.09650	8.5
409.09149	69.0
415.09601	11.9
417.09705	5.5
419.11472	4.2
421.09128	18.7
427.10306	87.3
429.09531	3.7
433.09155	22.4
439.10254	13.8
445.11023	24.7
451.10114	26.2
457.11295	29.7
463.09897	9.0
469.11377	37.1
475.10474	9.9
481.11331	49.4
493.11420	35.0
499.12332	40.6
511.12390	66.5
529.13525	51.3
547.14441	22.4
561.65503	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	565.119
Annotation	Isorhamnetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03960	2.7
53.63547	0.4
53.82255	0.4
55.01868	1.5
57.03428	1.1
58.15501	0.4
61.02924	1.1
67.02155	0.5
68.99800	1.4
69.03434	6.9
71.01348	0.5
71.04997	0.7
71.40159	0.5
71.48931	0.5
73.02916	1.6
73.30467	0.5
81.03420	8.6
83.04967	0.6
85.02912	12.0
87.00843	5.4
91.03958	0.7
91.05460	0.5
92.02618	1.1
93.03432	0.9
96.08152	1.2
97.02898	4.1
97.06509	0.8
99.04488	2.4
100.11267	0.7
105.01872	2.8
105.07026	0.5
107.08594	0.4
109.02888	6.3
117.01881	1.0
121.02876	0.6
127.03926	10.4
129.01846	0.9
139.03896	0.6
143.04976	0.6
145.04973	3.1
147.02995	0.5
147.04355	0.8
153.01845	6.3
159.02858	3.9
171.04433	2.1
172.04747	1.0
189.05434	1.3
190.05794	1.1
196.33237	0.4
214.08357	0.8
224.11584	0.5
228.04184	1.1
229.05042	2.9
231.02890	0.5
231.05022	1.5
245.04625	1.1
246.05293	1.3
257.04456	2.0
266.11575	1.0
267.12134	0.8
273.04010	1.3
274.04749	3.7
284.12354	0.6
285.03931	4.3
293.10626	0.4
296.07315	0.5
298.14355	2.5
299.14688	5.4
302.04254	10.5
316.15433	2.7
317.06573	100.0
317.15637	4.7
318.06903	1.9
439.38547	0.5
565.40112	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53053	4.9
53.03945	10.9
55.01871	11.1
55.05521	24.7
55.05732	5.9
57.03426	20.5
61.02922	9.3
67.05502	61.5
69.03417	21.2
69.07068	35.6
69.21178	44.4
71.04993	6.1
79.05495	57.5
81.03413	31.0
81.07053	99.2
83.04977	16.5
83.08600	17.1
85.02886	19.1
87.90878	4.8
90.47979	4.7
91.05477	58.6
92.05825	5.1
93.07050	70.2
95.04965	9.8
95.08594	37.4
97.02876	18.5
97.06528	30.8
97.10155	15.3
102.05602	5.1
105.07019	40.3
107.04964	9.8
107.08596	46.0
109.02849	8.3
109.06493	8.1
109.10152	18.9
111.08109	8.5
117.06992	19.9
119.08580	32.0
119.09365	5.8
121.10142	32.5
123.08007	7.5
125.09636	13.0
127.03890	22.2
129.06999	12.4
131.08548	27.5
133.10121	31.0
135.08017	12.2
135.11710	25.9
137.09636	7.5
145.10127	20.9
147.11652	21.2
149.09584	24.2
149.13271	19.2
159.11705	35.7
163.11201	14.3
171.11774	5.3
173.13240	6.6
177.12717	19.8
179.14320	11.2
181.12273	8.4
195.13789	11.9
201.12558	6.4
227.12820	11.8
239.17833	12.7
247.20531	7.1
255.15868	43.7
257.19009	14.8
269.17484	100.0
275.20062	57.7
301.34042	5.3
339.17853	10.5
349.23779	67.0
367.24765	10.8
401.22781	6.0
419.24698	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	12.5
55.01870	19.5
55.05533	33.6
57.03432	22.8
61.02921	18.6
67.05513	90.8
69.03443	40.4
69.03760	7.3
69.07067	48.0
69.68317	5.9
70.51787	21.9
71.04974	15.9
79.05501	74.8
81.03431	40.1
81.06663	8.1
81.07069	100.0
83.04967	11.6
83.08622	25.3
85.02908	22.5
89.32633	6.3
91.05479	58.2
93.07050	84.4
95.04964	15.6
95.08608	49.3
97.02881	15.1
97.06543	34.5
97.10167	11.5
99.04429	6.9
99.08151	9.0
105.07053	51.3
107.04953	10.2
107.08616	56.4
109.02879	21.3
109.06564	8.0
109.10182	17.9
111.08079	13.0
117.07022	18.1
119.08600	44.1
121.06534	13.7
121.10176	34.0
125.09662	11.5
127.03914	26.8
129.07016	14.1
131.08572	37.1
133.06453	7.4
133.10133	30.2
133.41202	6.3
135.08087	7.9
135.11694	36.0
137.05981	11.6
143.08603	9.7
145.10112	38.7
147.11702	23.3
149.09613	19.9
149.13264	26.5
157.10179	9.2
159.11700	40.6
161.13206	15.0
163.11198	20.1
165.12801	8.0
169.10152	8.2
171.10208	6.6
173.13252	16.1
177.12732	33.3
177.44786	6.2
179.14346	15.9
181.12251	11.5
189.11234	7.6
195.13864	14.1
197.13220	7.8
219.05351	6.9
227.12730	8.3
229.14348	6.9
239.17946	9.7
255.15941	44.8
257.18964	11.2
269.17520	92.0
275.20105	65.2
349.23782	87.2
367.24893	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	0.6
55.05517	8.0
57.49262	0.6
59.99097	1.9
61.02919	1.1
61.57764	0.6
69.03439	9.0
70.27253	0.7
70.27586	2.0
71.04984	0.8
72.08150	2.6
73.06560	43.1
79.05486	0.7
83.01361	0.7
85.02903	5.1
87.04449	0.7
89.04263	1.5
97.02889	2.8
99.04459	1.1
106.06561	15.4
109.02896	1.4
116.07102	0.8
127.03935	7.0
132.04794	100.0
134.06004	0.7
143.97797	0.6
145.04999	4.1
208.05437	1.1
217.10051	6.7
230.64688	0.6
256.66193	0.6
280.11047	0.9
305.22409	0.7
322.15912	4.3
379.15317	2.3
459.11081	4.6
474.38351	0.7
484.21344	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	3.0
67.05506	6.8
69.03422	2.1
69.07068	4.2
69.31933	14.5
71.04981	3.6
79.05513	4.8
81.03425	2.9
81.07057	14.8
83.08662	2.0
85.02897	5.7
85.06552	18.6
87.00816	3.1
87.04449	2.8
89.45925	1.9
91.05493	4.4
93.07057	10.5
95.08608	19.8
95.09109	2.1
95.40131	1.6
97.02937	2.2
97.06547	2.4
99.08088	2.8
105.07061	8.8
107.08624	11.5
109.10158	10.5
109.98409	1.7
113.11396	1.7
117.07053	1.6
119.08582	6.3
121.10158	6.9
122.09689	5.3
123.11720	4.0
125.09615	4.5
127.03958	2.7
129.06982	1.6
131.08594	3.3
133.10129	6.9
135.08003	2.4
135.11690	4.9
143.08607	1.7
145.10135	9.2
145.33594	1.4
147.11699	2.8
149.09703	1.5
149.13248	1.8
151.11217	2.4
153.09160	2.0
156.43951	1.7
157.10138	3.5
159.11719	6.6
161.13287	3.7
171.11717	2.3
173.13338	3.9
185.01271	1.8
185.13321	3.5
189.16438	2.2
201.16292	3.2
227.18002	4.3
245.19066	5.3
263.20157	10.9
281.21136	100.0
299.22256	15.3
478.54059	1.9
494.88528	1.9
529.26233	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	562.323
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20827	2.1
53.03943	3.5
55.01874	8.9
55.05510	14.8
56.40525	1.9
57.03430	8.4
61.02922	3.3
67.05508	41.1
69.03430	9.7
69.07069	12.7
71.05003	5.8
71.49260	2.8
71.57071	1.8
73.02941	2.5
79.05502	26.5
80.05043	1.9
81.03426	11.7
81.07059	46.1
83.04982	7.8
83.08627	5.2
85.02898	6.8
85.06544	3.9
89.06069	2.8
91.04918	2.1
91.05489	38.7
93.07050	27.5
95.04964	11.4
95.08614	13.1
97.02899	5.3
97.06521	5.6
99.08146	2.2
105.07040	39.0
107.04958	7.1
107.08590	27.0
109.02894	4.2
109.06525	8.2
109.10149	45.2
110.38053	2.4
112.25102	2.1
113.05998	3.4
117.07033	7.5
119.08597	10.7
121.06530	5.3
121.10143	6.6
123.08045	4.0
123.11719	6.2
123.20960	2.1
127.03914	5.1
129.10585	2.2
131.08548	8.9
133.06538	5.3
133.10141	54.6
135.08080	4.9
135.11693	2.9
137.09618	2.6
142.03203	4.3
143.08562	5.5
145.10135	4.3
147.08054	5.2
147.11719	4.0
149.09598	5.6
151.11168	29.2
159.08105	2.9
161.09645	8.2
169.12274	4.9
172.80461	2.0
175.11208	2.7
177.09134	5.1
189.09163	2.2
215.12833	3.2
245.19029	5.9
253.14372	100.0
263.20081	8.1
269.13776	4.3
271.15451	16.6
273.18530	22.3
291.19562	26.1
323.14880	4.3
341.15903	5.6
347.22192	6.5
365.23251	63.2
421.19785	2.5
563.08105	2.7
566.11597	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	562.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.9
55.01849	2.5
55.05514	12.6
57.03424	3.5
61.02908	2.5
61.61165	1.3
67.05511	14.1
69.03416	4.7
69.07064	12.0
70.02366	5.1
71.04999	1.6
78.73473	1.5
79.05495	10.1
81.03403	7.3
81.07050	12.4
83.04950	2.4
83.08611	6.9
85.02887	5.4
91.03947	1.5
91.05471	8.8
93.07034	11.6
95.05001	7.0
95.08629	6.9
97.02862	5.3
97.06514	3.8
97.10162	8.5
97.25449	1.3
97.66588	1.4
105.07024	8.9
107.04961	4.4
107.08624	8.9
109.02871	1.8
109.06534	2.5
109.10146	3.8
116.28745	1.5
116.75920	1.4
117.07047	3.3
119.08597	7.5
119.09299	1.2
121.06481	3.8
121.10138	3.8
123.08063	2.4
125.09626	6.2
127.03909	6.2
129.06999	2.5
131.08545	6.0
131.45113	1.6
133.06491	2.9
133.10133	4.1
135.08054	2.7
137.09583	2.3
143.08543	3.1
145.06445	1.9
145.10092	4.2
147.08061	4.1
157.78491	1.4
159.11646	1.8
161.09673	1.8
163.11246	1.6
173.09566	1.4
175.11148	2.0
189.11209	4.3
193.12320	2.5
205.12288	1.6
223.13248	10.5
227.12793	1.8
249.14871	2.4
273.18439	8.3
285.16837	4.3
291.19534	100.0
291.40390	1.5
365.23218	51.3
390.24423	1.6
435.23752	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71653	2.2
52.12351	1.9
55.01869	2.4
67.05492	4.6
68.16552	2.2
69.03424	6.0
69.07069	5.9
71.04999	5.9
71.10017	5.0
79.05509	2.6
81.03423	6.7
81.07078	5.9
85.02917	11.4
85.06548	63.9
85.07030	4.6
87.00838	6.8
89.85958	2.1
91.05470	7.0
93.07029	10.7
95.08607	16.5
97.02889	4.8
97.06544	3.9
97.82461	2.3
99.04485	2.9
105.01896	3.3
105.07039	8.0
107.08597	8.9
109.02885	5.0
109.06567	3.0
109.10175	7.3
111.08070	3.2
113.09637	8.6
119.08596	8.1
121.10133	8.5
123.08080	3.6
123.11710	4.4
125.09649	4.6
127.03932	6.9
131.08546	4.9
133.10156	5.9
135.08069	5.0
135.11717	2.0
137.09619	4.2
139.11250	3.4
145.10144	9.8
146.86507	2.2
147.11726	4.3
149.09706	2.8
149.13211	2.5
157.10156	4.0
159.02902	4.3
159.11687	18.9
161.13292	5.2
163.03923	11.0
173.13263	13.1
175.14778	10.6
183.11655	3.7
187.11166	2.3
197.13211	3.7
199.14853	3.4
201.16397	12.4
215.17979	6.7
219.17395	12.7
225.16452	4.3
233.18987	5.5
237.18510	40.7
243.17398	16.2
261.18524	39.9
273.11441	2.2
279.19559	100.0
297.20657	18.7
407.17807	2.7
457.77844	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	562.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	2.1
55.05502	1.2
55.11212	0.7
61.02934	0.9
62.06078	3.0
67.05504	1.2
68.99774	0.8
69.03430	5.0
69.07064	1.1
70.06590	1.6
71.08638	5.0
71.49165	0.7
71.49535	0.8
72.08148	0.9
73.02906	2.0
79.05482	1.7
80.35093	0.7
81.03408	3.2
81.07072	4.2
85.02912	4.7
86.06068	23.5
87.00815	2.2
91.05475	2.2
91.08107	0.7
93.07041	1.6
95.08585	2.4
96.08131	1.0
97.02867	2.3
97.06517	0.9
98.09663	2.6
99.04479	1.6
99.08082	5.3
101.02386	3.7
105.01865	1.0
105.07007	1.2
107.08598	1.1
108.08079	1.7
109.02892	6.8
109.06513	7.1
109.10137	0.9
110.09724	0.9
111.08090	7.0
116.10726	10.4
119.08600	1.7
122.09645	1.5
124.11214	0.9
127.03904	7.0
134.09630	2.4
137.05954	5.1
137.32010	0.7
142.08598	1.3
143.10690	6.3
145.04944	1.9
152.10692	2.6
155.07027	0.8
161.05972	0.7
162.09212	0.8
163.03925	2.9
170.11775	7.4
180.10229	3.2
187.06113	0.8
191.62108	0.7
198.11258	100.0
199.11560	0.9
213.04044	0.9
214.17973	0.7
216.12321	85.6
217.12505	0.8
225.11209	0.8
231.04898	1.2
243.17500	1.1
261.18588	1.5
279.19638	2.4
296.18521	4.0
314.19650	13.3
329.12323	1.1
402.17520	3.9
446.16638	12.2
464.17725	8.8
476.77356	0.7
544.23627	1.2
562.24432	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	561.4127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76904	0.4
59.04945	0.4
66.94484	0.4
67.05495	0.4
70.39220	0.8
70.39599	0.9
72.06182	0.3
75.81765	0.3
85.67077	0.4
89.40086	0.3
105.07041	0.7
134.59573	0.4
160.01363	0.4
162.01204	0.4
188.93962	0.4
216.07504	0.4
228.76247	0.4
231.39198	0.4
275.19968	1.4
309.20395	6.9
326.88177	0.4
361.88763	0.4
408.06461	0.3
546.76807	0.4
561.41302	100.0
562.41681	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	562.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89591	0.9
53.03948	2.1
53.44484	1.0
55.01877	2.0
55.05513	1.7
61.01143	3.3
61.02921	1.8
62.06081	3.1
68.99788	1.2
69.03432	5.4
69.07098	1.2
69.68695	4.5
70.06597	12.4
71.04985	1.5
71.08652	8.5
72.08156	3.7
72.31721	0.9
73.02915	3.1
76.30318	1.3
79.05518	1.5
80.40893	1.0
81.03445	5.7
81.07068	5.2
81.71251	1.0
82.31567	0.9
85.02925	7.6
85.06557	1.2
86.06076	25.9
86.09712	1.6
87.00820	3.3
87.04456	1.1
89.06098	1.0
91.05480	2.7
93.07051	3.2
95.04976	0.9
95.08611	1.9
96.08144	1.6
97.02886	3.5
97.06524	1.5
98.09689	2.6
98.13164	1.0
99.04450	1.6
99.08105	5.7
101.02393	3.7
103.27293	1.0
105.01878	1.1
105.07029	2.9
107.08624	1.6
108.08125	1.6
109.02885	3.6
109.06539	10.2
109.08931	1.0
111.08086	6.0
111.57261	0.9
116.10743	12.4
117.07030	1.2
118.06895	19.4
119.08620	1.4
121.08889	1.2
124.11214	1.5
127.03931	6.2
134.09662	3.1
135.04468	1.2
137.05995	7.1
138.09161	1.1
142.08678	1.8
142.12317	4.9
143.10677	8.0
145.04970	2.3
145.10069	1.2
152.10709	2.6
159.11649	1.5
162.09120	1.0
163.03873	2.2
165.09163	1.0
165.73549	1.0
170.11803	6.5
180.10170	3.5
188.07109	3.1
198.11275	100.0
199.14833	1.0
205.09814	2.0
206.14604	1.1
208.63100	0.9
216.12332	64.9
231.05162	1.2
231.15245	9.3
235.07733	1.1
243.17558	1.8
254.12440	1.1
259.14841	6.2
261.18549	3.2
266.64468	1.0
279.19388	1.2
296.18625	3.9
304.16556	2.2
305.47501	0.9
314.19650	62.7
358.21725	4.8
378.95956	1.1
402.17575	4.2
420.18634	1.5
446.16666	11.3
464.17480	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	561.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.5
55.01867	5.8
55.05512	36.2
57.03421	5.6
57.07085	5.7
59.05001	2.6
65.03944	2.6
67.05507	61.9
69.03403	3.8
69.07068	14.9
71.08640	3.3
71.35294	2.6
79.05073	4.6
79.05499	49.5
81.03403	8.6
81.07053	56.5
83.04981	9.4
83.08622	19.2
85.06509	3.4
89.06055	2.9
91.05487	37.7
93.07047	47.3
95.04965	9.7
95.08611	41.0
97.06552	8.1
97.10165	28.4
98.20749	6.9
105.07041	34.5
107.04952	7.1
107.08604	26.9
109.06490	6.4
109.10168	19.7
111.04460	5.1
111.08047	5.9
117.07023	17.0
119.08577	29.6
121.06483	6.3
121.10153	19.6
123.08096	4.7
123.11705	9.2
125.09614	14.3
128.06342	3.0
129.07013	9.2
131.08586	23.8
133.10139	18.4
135.08035	3.4
135.11697	14.2
143.08591	9.8
145.10121	23.9
147.11705	15.5
149.13303	5.1
153.12773	4.2
155.08574	6.9
157.10158	14.1
159.08040	5.9
159.11737	14.1
161.09595	3.4
161.13231	6.5
163.11205	10.4
169.10086	3.7
171.11716	10.2
173.09630	3.8
173.13310	9.9
175.11182	3.8
175.14886	3.4
181.12201	4.5
183.11726	4.9
185.13272	7.4
187.14854	6.3
189.11195	7.7
189.12694	3.4
191.10744	3.0
201.16463	3.5
209.11649	3.9
227.12738	19.9
229.41872	3.9
259.20477	5.0
261.22147	8.3
267.15964	3.8
283.15378	9.3
299.23730	11.0
301.21658	5.1
309.20325	6.8
315.23190	2.9
317.24689	12.7
335.25803	9.2
423.32568	3.2
433.30981	4.3
435.22406	2.5
451.31796	6.1
469.33109	11.1
487.34003	11.6
515.37134	4.3
525.35925	16.1
543.36829	67.9
561.41571	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.3
55.01868	9.7
55.05514	43.9
57.03433	11.0
57.07080	5.2
59.04992	6.1
65.03944	3.3
65.38556	2.7
67.05506	78.8
69.03426	4.5
69.07074	23.8
69.57167	22.0
71.05003	8.5
71.08630	2.7
79.05492	63.1
79.05916	5.0
80.47419	3.0
81.03424	11.6
81.07053	87.7
82.69057	3.2
83.04984	17.8
83.08623	27.4
87.04524	3.2
87.35813	3.2
91.05489	52.3
93.07047	62.1
95.04960	13.0
95.08615	49.0
97.06536	10.3
97.10189	32.4
98.20773	5.9
99.08114	5.2
105.07030	58.5
107.04970	9.1
107.08601	48.7
108.69289	2.9
109.06527	5.3
109.10167	34.7
111.04449	10.5
111.08087	5.3
117.07031	21.3
117.07723	3.7
119.08582	42.8
120.46106	3.0
121.06498	3.7
121.10166	25.5
123.08062	7.2
123.11742	11.2
124.76463	2.8
125.09631	31.6
129.06996	16.2
130.07755	3.7
131.08563	41.0
133.06479	2.8
133.10107	28.8
135.08055	5.0
135.11713	27.4
141.06950	4.3
143.08580	16.6
145.10139	35.5
147.08038	7.0
147.11705	21.4
149.09613	9.9
149.13268	9.8
151.11223	4.1
153.12761	8.6
155.08591	6.6
157.10149	16.3
159.11690	24.1
161.09660	5.1
161.13271	11.5
163.11186	13.8
167.08513	4.2
169.10127	10.7
171.10310	6.1
171.11717	10.7
173.09596	3.3
173.11990	3.7
173.13226	17.9
174.49652	3.2
175.11226	5.1
175.14792	6.3
181.10107	3.7
181.12268	7.2
183.11719	5.1
185.13245	11.1
187.14886	6.4
189.11267	15.6
191.10616	6.1
199.14835	3.8
209.13426	3.2
227.12794	35.3
243.21002	5.1
259.20663	6.6
261.22217	9.8
267.15652	3.8
283.15433	16.0
283.20316	4.2
299.20660	4.0
299.23654	21.3
315.23276	5.0
317.24780	12.7
333.24203	4.6
335.25711	12.1
433.30939	5.6
451.32425	20.4
469.33203	17.5
487.34122	11.9
515.37048	5.0
525.35742	17.9
543.36871	100.0
561.37897	76.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17591	3.1
53.03938	9.6
55.01870	14.3
55.05515	42.1
57.03417	7.4
57.07063	7.7
59.04996	3.1
63.50003	2.9
66.20739	2.3
67.05504	80.5
69.03428	4.6
69.07068	26.1
69.86715	14.5
70.38336	2.7
70.81651	2.8
71.05003	5.5
71.08649	3.7
79.05492	58.0
81.03406	10.7
81.06592	5.2
81.07057	86.0
81.07531	4.8
83.04961	16.2
83.08617	28.1
85.02921	3.3
85.06541	3.5
85.08976	2.6
91.05482	41.3
93.06491	4.9
93.07047	63.8
95.04962	17.3
95.08611	47.7
97.02899	4.1
97.06530	7.0
97.10175	35.5
99.08080	4.0
104.55936	3.0
105.04514	3.1
105.07027	45.6
107.04939	8.0
107.08594	43.1
109.06472	6.3
109.10157	28.4
111.04427	10.2
111.08064	8.0
115.05431	4.5
117.07023	27.1
119.08584	38.6
121.06475	5.3
121.10155	26.0
123.08057	5.9
123.11702	9.7
125.09641	21.4
128.06201	3.3
128.48666	2.8
129.06993	11.8
131.08574	36.9
133.06422	5.2
133.10141	26.2
135.08035	6.4
135.11696	22.2
142.07695	3.9
143.08565	14.1
145.10126	33.7
147.07970	4.4
147.11688	17.6
149.09566	5.1
149.13272	8.5
153.12773	8.2
155.08551	6.1
157.10117	12.6
159.11642	18.1
161.09616	2.9
161.13281	10.2
163.11176	18.7
163.14728	3.2
169.10126	8.1
171.11679	10.3
173.09633	7.5
173.13257	16.3
175.14749	3.9
179.08636	2.9
181.10175	5.6
181.12250	7.4
183.11723	4.7
185.13235	6.3
187.11157	3.7
187.14763	7.6
189.11241	12.4
191.10626	4.0
193.12224	7.3
195.11743	3.4
197.13307	7.2
199.14853	6.1
201.16495	3.5
209.11771	8.0
211.13232	7.3
211.14989	4.7
225.16362	3.8
227.12781	42.3
245.13707	3.2
259.20511	6.6
261.22150	15.8
273.22183	2.9
277.21619	4.4
283.15332	19.4
283.20630	3.7
299.23529	15.6
301.21622	6.6
315.23068	3.2
317.24829	14.8
333.24158	6.3
335.25726	10.9
405.31659	4.2
433.31131	5.1
451.31979	14.3
469.33093	16.4
487.34143	9.6
518.03918	3.2
525.35706	20.4
541.73328	3.4
543.36890	100.0
561.37958	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	561.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69504	0.9
53.03933	1.9
55.01871	3.6
55.05511	13.9
56.54010	0.9
57.03429	3.6
57.07070	2.2
59.04995	1.2
67.05507	24.2
69.07079	6.9
69.21355	9.5
71.04997	1.7
77.64287	0.9
79.05495	17.1
81.03403	4.3
81.07056	21.9
83.04990	6.3
83.08619	6.9
85.06544	1.5
87.04459	1.2
89.06025	1.1
91.05492	15.9
93.07048	17.5
95.04976	4.8
95.08604	15.0
97.10179	8.7
105.07040	15.0
107.04943	2.6
107.08598	12.1
109.06506	2.5
109.10160	7.5
111.04456	3.0
111.08085	3.2
117.07018	5.8
119.08579	10.5
121.06505	2.3
121.10139	7.0
123.11707	3.2
125.09652	7.8
129.07005	3.7
131.08577	10.8
133.06500	1.5
133.10159	7.2
135.08084	2.1
135.11679	6.7
137.09669	1.5
143.08603	5.1
145.10138	9.6
147.08080	1.6
147.11685	5.1
149.09651	1.5
149.13280	1.7
151.11194	1.1
153.12766	2.3
155.08562	2.6
157.10106	3.6
159.11699	6.1
161.13309	2.3
163.11177	4.5
169.10120	2.6
171.10225	0.9
171.11728	2.5
173.09601	1.3
173.13266	4.1
175.14897	1.2
175.74751	0.9
181.10112	1.4
181.12207	2.3
183.11609	1.6
185.13255	2.4
187.14880	1.5
189.11205	5.0
191.10724	1.0
193.12245	1.8
199.14893	1.7
201.12695	1.1
201.16396	1.1
209.11716	1.6
211.13231	1.5
221.20024	1.2
227.12761	12.1
259.20624	1.1
261.22174	4.0
267.15927	1.2
275.19919	2.0
277.21786	1.0
283.15454	5.7
297.22098	1.1
299.23639	6.9
301.21646	1.5
309.20392	7.1
317.24713	4.3
333.24170	2.0
335.25708	2.8
433.31070	2.8
451.31982	3.9
469.33282	4.6
487.34308	2.9
507.34256	1.3
515.37988	1.7
525.35522	5.0
543.23309	1.1
543.36841	27.4
561.41461	100.0
562.41083	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3883
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.9
55.05517	11.1
56.33052	0.7
57.07077	56.1
59.04995	0.9
59.99108	1.4
67.05504	16.9
69.07067	11.6
71.08632	44.0
71.22781	1.1
71.23109	0.8
79.05479	2.2
81.06596	1.6
81.07057	26.3
83.08167	1.0
83.08624	18.9
85.10184	25.2
86.06063	2.0
87.04433	0.8
93.07011	1.1
95.08608	36.2
97.10175	9.3
99.11723	2.0
106.06560	15.4
109.10159	18.8
111.11698	1.8
113.13263	1.2
114.03741	3.6
118.36279	0.7
123.11718	8.8
125.13250	2.3
132.04788	30.5
137.13274	4.6
139.14821	1.3
151.14809	1.8
208.05458	1.6
221.22676	2.5
226.02821	0.8
239.23701	67.0
257.24750	1.6
280.11087	1.0
289.61465	1.0
311.29453	100.0
312.29825	1.4
370.27734	3.8
455.33038	9.9
458.57834	0.8
560.38849	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	11.3
55.20783	5.5
57.03446	5.8
65.11834	5.7
66.39954	5.6
69.03426	20.1
69.77875	33.0
79.05496	9.5
81.03414	17.7
85.02912	44.0
87.00824	19.0
91.05486	13.2
95.05016	8.5
97.02899	23.5
105.07066	10.4
109.02845	8.4
111.04446	10.0
111.86472	6.2
115.03934	22.5
119.04979	6.2
122.03692	8.6
127.03931	12.7
131.04932	7.0
137.06004	78.5
142.05641	5.6
151.03912	70.9
151.05003	11.5
151.07536	20.8
155.04874	6.5
160.93164	6.0
161.05991	13.6
163.07521	12.1
165.05482	11.0
169.06561	8.9
175.07571	24.3
177.09117	11.0
187.07486	9.0
189.09059	8.7
195.10229	9.1
201.09148	6.1
203.07019	9.4
209.08118	100.0
215.07034	13.1
222.06760	8.9
225.09169	8.2
249.09186	8.7
251.10855	8.8
252.44913	5.9
261.09088	13.5
261.11533	10.1
264.07520	6.3
265.08578	22.3
277.08557	13.7
281.12057	7.4
289.08444	9.9
291.10257	17.1
295.09714	15.9
297.11282	8.0
299.12790	9.7
303.10010	9.5
307.09787	13.1
309.11212	56.0
311.12683	18.9
319.09576	8.2
320.10376	8.4
321.11200	16.9
323.12756	19.5
335.12726	20.2
341.13919	39.1
343.15424	18.1
346.12555	7.3
353.13901	35.0
355.15445	18.7
365.13834	11.2
367.15518	20.8
383.14557	7.1
385.16794	7.8
397.16443	10.8
403.15512	12.2
421.16583	48.1
439.17734	17.2
525.17456	15.0
561.19910	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	560.3881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05269	0.9
55.05515	11.0
56.05039	18.9
57.07080	17.4
61.04055	1.0
67.05509	5.6
68.75261	0.6
69.00892	0.7
69.07067	4.2
69.32928	0.7
69.34844	0.6
69.99313	4.5
71.04993	0.9
71.08303	0.9
71.08643	11.1
71.27025	1.2
72.08162	10.7
73.06543	1.1
79.05505	0.8
81.07059	6.8
83.08631	4.1
84.04484	1.4
84.08149	16.0
85.10194	5.8
86.09725	4.0
87.01958	5.4
95.08630	10.4
97.10167	1.9
98.06066	8.4
99.48202	0.7
101.22543	0.6
106.06562	9.6
109.10170	3.3
112.11240	0.9
115.08699	13.0
119.06074	6.0
123.11668	1.1
126.96577	0.7
127.08688	74.3
131.06070	1.5
132.04477	0.7
137.13297	0.8
141.06598	100.0
148.11127	0.9
148.74063	0.6
157.13370	59.6
158.13860	0.7
161.10764	2.3
165.04834	1.2
169.13387	37.4
182.43515	0.8
207.09518	3.2
232.12645	0.7
238.25327	1.4
239.23669	5.2
246.09891	1.3
246.12410	26.4
247.12498	0.9
276.16998	5.0
288.17084	46.4
289.17407	0.9
293.69714	0.7
371.01678	0.8
395.36377	1.1
421.05124	0.8
441.35031	3.7
445.32117	1.4
560.38855	67.0
561.39020	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.4
55.01883	0.3
55.05513	4.7
57.07078	17.2
65.03950	0.8
66.92456	0.2
69.03434	1.5
69.07079	0.2
69.21185	2.3
71.04984	0.3
71.86328	0.2
73.02921	0.4
73.06547	0.7
73.65105	0.2
81.03426	1.1
85.02915	2.7
87.00826	1.8
87.04467	0.4
91.05486	0.5
93.03368	0.3
97.02905	1.1
98.21581	0.5
99.04462	0.3
105.01865	0.6
109.02869	1.2
121.02869	2.3
121.03815	0.5
127.03907	1.5
131.08623	0.3
143.04831	0.3
145.04977	0.6
149.02347	100.0
150.02708	0.5
159.02852	0.5
161.05940	1.0
167.03439	0.8
175.07567	4.0
185.06015	0.3
190.05032	0.2
203.07036	5.8
203.08813	0.4
205.08614	6.9
221.08192	1.2
223.09711	0.4
229.46013	0.2
277.14355	34.1
278.14551	0.3
295.15405	2.0
462.82275	0.2
570.54974	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	12.5
55.01857	7.7
55.05515	25.9
57.03428	14.5
57.07064	9.4
57.60837	3.0
59.04994	3.8
60.35837	3.2
67.05507	100.0
69.06776	2.9
69.07076	29.9
70.06614	4.1
71.04977	3.3
71.08615	7.2
75.38686	3.8
79.05494	90.3
81.03419	8.1
81.07056	93.4
83.04963	14.2
83.08625	12.3
85.06557	5.1
88.07602	3.7
91.05484	78.1
93.07039	86.5
95.04971	18.3
95.08609	74.9
97.06519	6.3
97.10186	6.8
105.07034	58.9
105.33363	3.5
107.04967	7.9
107.08587	43.2
109.06546	8.1
109.10158	23.6
115.53825	3.9
117.07007	22.7
119.08584	38.1
121.06500	5.7
121.10150	18.9
123.08083	4.8
123.11687	7.8
129.06987	21.1
131.08559	18.2
133.10133	14.8
135.11673	15.9
143.08575	11.6
145.10110	25.1
147.11679	40.2
149.13231	8.4
157.10141	8.1
159.11688	11.6
161.09605	7.3
161.13277	17.3
169.10046	6.7
171.11700	26.7
173.13274	7.2
185.13203	5.0
187.14880	3.6
189.12761	10.1
199.14775	4.1
205.08527	4.0
207.13820	25.7
214.19247	3.5
221.13429	3.8
256.26233	9.2
257.26672	8.3
259.20425	3.4
261.22195	13.3
279.15793	6.2
281.17477	38.5
298.53519	3.8
335.25793	55.3
434.99826	3.7
449.33939	5.8
467.35629	4.7
507.59079	3.4
538.66919	4.3
541.38953	66.9
559.40356	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	2.0
53.03952	6.3
55.01879	4.9
55.05517	37.9
57.03436	4.0
57.07079	5.1
59.05004	3.9
65.03933	3.0
65.24590	1.4
67.05511	65.8
69.03409	4.0
69.07073	20.7
71.01373	1.8
71.04994	4.9
71.49141	2.1
79.05500	56.3
81.03426	4.3
81.07063	62.1
83.04993	6.5
83.08623	16.8
85.06553	4.9
89.06045	2.0
91.04915	2.0
91.05491	52.9
93.07049	57.2
95.04972	8.7
95.08617	38.4
95.09187	3.2
97.02911	2.8
97.06525	6.0
97.10178	21.1
97.42458	1.7
99.00832	7.4
99.08090	2.2
99.75472	1.9
103.05450	1.9
105.07043	44.1
107.04955	6.3
107.08601	37.8
109.02902	10.5
109.06529	5.0
109.10168	22.7
111.04440	4.4
111.08110	4.4
115.05474	3.1
116.75177	1.5
117.07028	16.1
119.08591	30.8
119.09383	2.6
121.06517	6.9
121.10147	24.6
123.04442	2.4
123.08085	3.2
123.11729	5.8
125.09657	12.8
128.06209	3.5
129.07039	9.0
131.08572	27.0
133.06523	3.5
133.10138	42.1
133.11107	2.6
135.08101	6.1
135.11700	18.4
137.05948	1.8
139.07518	2.2
141.06990	2.1
143.08574	11.7
143.94460	1.9
145.06566	4.0
145.10150	18.5
147.08058	2.9
147.11670	10.3
149.09618	3.5
149.13248	11.0
151.11165	7.7
154.79816	1.6
155.08612	5.6
157.10115	7.7
159.08073	3.2
159.11688	14.2
161.09610	13.1
161.13281	6.6
163.11221	4.0
163.14888	1.9
169.10182	6.6
171.08107	2.8
171.11707	7.6
173.09717	2.8
173.13242	9.6
175.14859	3.5
179.10706	6.9
181.12314	2.8
183.11710	3.6
185.13315	4.9
187.11179	3.9
187.14861	4.9
189.09149	6.7
189.11169	7.8
197.11705	2.3
197.13321	4.5
199.11119	1.7
199.14931	3.5
204.97855	1.7
207.10170	4.3
209.13290	3.8
211.14871	2.8
223.14793	3.2
225.11186	10.4
227.12825	4.4
241.16005	2.0
241.19496	2.5
243.21114	3.6
253.19684	1.9
259.20728	4.6
261.22125	15.3
269.22653	1.8
277.21686	5.1
281.13889	9.5
283.15485	2.0
287.23697	8.4
297.22229	4.2
299.20035	2.2
313.21664	3.0
315.23145	18.3
333.24326	3.3
335.26035	2.0
341.21265	2.4
351.23141	2.3
403.29904	2.2
421.31320	8.5
423.32523	2.2
431.29593	3.4
439.32202	7.1
441.32315	1.8
449.30481	10.6
457.33282	6.4
467.31699	27.0
485.32629	18.4
495.34863	2.6
510.64252	1.8
513.35919	20.7
515.37976	2.4
523.34271	3.1
531.36603	16.4
541.35272	49.6
559.36359	100.0
560.36383	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	559.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	2.1
53.03938	8.2
55.01863	8.4
55.05513	42.9
57.03432	6.0
57.07061	3.1
59.04993	7.1
62.49109	2.4
65.03928	6.4
67.05508	74.6
69.03429	3.8
69.07072	24.5
70.04747	11.1
71.04997	4.8
72.73122	2.1
79.05025	2.7
79.05493	54.3
81.03430	10.3
81.07059	64.4
83.04979	8.5
83.08620	24.0
85.06541	4.3
91.05486	55.9
93.07053	67.9
95.04979	16.0
95.08611	42.4
97.06550	7.8
97.10165	24.8
99.00813	5.4
103.05502	2.7
105.07030	53.0
107.04968	8.4
107.08603	38.3
109.02898	9.9
109.06565	4.8
109.10167	24.7
111.04465	3.3
111.08095	5.8
115.05480	4.7
117.07009	18.9
119.04940	2.7
119.08588	35.3
121.06514	9.3
121.10147	31.6
123.04423	8.2
123.08126	2.6
123.11716	6.6
125.09614	13.6
127.03868	3.2
129.07019	11.3
131.08575	28.0
133.06505	6.9
133.10141	41.4
135.08060	8.0
135.11705	14.8
137.06085	2.7
137.09644	4.9
141.07031	4.2
143.08598	18.4
145.06543	4.5
145.10124	26.5
147.08044	6.3
147.11674	13.8
149.09654	7.7
149.13268	8.9
151.11229	7.7
153.09097	3.8
155.08577	6.3
157.10107	11.1
159.08043	3.6
159.11708	15.5
161.09625	14.9
161.13278	7.6
163.11208	7.0
163.14867	3.5
169.10168	10.0
171.08104	4.1
171.10336	2.9
171.11772	8.3
173.09622	4.1
173.13271	11.3
175.11185	4.0
175.14873	5.4
175.69617	2.3
179.10733	5.0
181.10161	4.4
183.11678	6.8
184.07384	3.4
185.09633	2.6
185.13293	9.0
187.14900	8.0
189.09187	5.4
189.11203	3.1
189.12808	3.5
195.11755	7.3
197.13264	3.9
199.14848	5.4
201.12758	3.8
203.10706	2.5
207.10231	4.1
209.13397	3.5
211.14853	5.3
223.14859	4.2
225.11200	6.8
227.12872	8.8
235.13133	3.2
237.16553	2.7
243.21152	6.5
249.78511	2.2
259.20657	3.7
261.22250	8.7
277.21811	5.6
281.13922	12.6
287.23694	7.0
297.22278	4.0
299.20139	3.0
313.21701	3.2
315.23218	27.4
403.29706	3.9
421.31143	11.8
423.32971	3.3
438.00024	2.4
439.31906	11.6
449.30524	16.3
457.33060	4.2
467.31631	34.2
485.32712	21.7
495.35138	4.5
513.35748	22.1
515.37006	3.4
523.34290	4.0
531.36871	17.6
541.35333	72.6
541.43390	4.8
559.36401	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.9
53.00311	3.1
53.03937	7.2
55.01868	6.3
55.05515	43.8
57.03428	5.2
57.07069	5.1
59.04978	2.9
65.03940	5.7
67.05510	70.2
69.03434	5.4
69.07072	29.5
71.04977	4.9
71.49177	2.1
77.03900	2.3
79.05498	62.3
81.03425	7.3
81.07063	72.5
83.04996	9.8
83.08616	20.0
85.02911	2.3
85.06551	3.5
85.44297	1.6
91.05488	50.8
93.07052	63.9
95.04959	10.5
95.08612	39.0
95.09182	3.1
95.19674	1.5
96.08250	1.6
97.02889	4.4
97.06529	8.2
97.10162	25.4
99.00849	8.5
99.08102	2.8
105.07040	45.5
107.04961	7.2
107.08605	46.8
109.02868	11.0
109.06497	5.0
109.10159	19.3
111.04440	4.0
111.08082	5.6
115.05455	3.1
117.07040	16.1
119.06064	2.1
119.07800	3.3
119.08589	34.8
121.06509	5.1
121.10146	27.9
123.04454	5.5
123.08098	4.4
123.11732	8.8
125.09634	16.7
128.06224	3.6
129.07004	10.5
131.08572	26.7
133.06493	3.0
133.10141	34.6
135.08040	7.3
135.11705	20.9
137.05981	2.4
137.09639	2.8
141.07043	2.6
143.08549	15.5
145.06512	3.4
145.10133	18.8
147.08076	3.1
147.11705	14.9
149.09598	2.9
149.13249	9.4
151.11201	9.6
153.09102	1.9
155.08566	6.7
157.10117	10.7
159.08092	3.1
159.11700	13.1
161.09628	20.9
161.13293	10.1
163.11182	4.8
163.14905	4.4
167.08673	1.9
168.06654	1.9
169.10153	6.5
171.08145	4.9
171.11668	10.9
173.09662	3.4
173.13280	11.4
175.11205	2.3
175.14839	4.0
177.12744	2.5
179.08693	1.5
179.09334	1.4
179.10672	11.2
181.10149	4.8
183.11812	5.3
184.07405	1.6
185.09694	2.1
185.13304	6.8
187.11252	3.8
187.14891	4.5
189.09200	7.5
189.11197	8.2
195.11717	3.2
197.09579	1.9
197.13322	4.7
197.15668	1.6
199.14764	4.5
201.12706	3.2
207.10191	5.4
211.14825	3.2
217.19472	3.7
221.13377	2.3
225.11205	10.0
227.12840	7.4
233.15469	2.1
235.20615	6.3
243.21136	4.1
249.18578	2.8
253.21695	10.5
259.20645	3.1
261.22141	13.1
271.22745	3.7
273.18719	2.5
277.21674	5.0
281.13797	10.4
287.23804	7.6
289.21576	1.9
291.19537	2.5
297.22073	3.0
299.20157	2.1
313.21600	4.0
315.23148	20.6
333.24411	3.4
335.26001	2.7
355.22525	2.2
421.31268	9.0
431.29852	3.5
439.32211	7.4
449.30515	12.4
457.33350	6.4
467.31625	24.4
485.32635	15.7
495.34485	3.0
513.35809	20.1
515.37439	3.8
516.83484	1.9
523.34265	3.7
531.36847	19.8
541.35266	56.3
559.36365	100.0
560.35907	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	559.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.2
53.96066	1.3
55.01863	3.8
55.05520	3.0
57.03441	8.6
59.05005	100.0
60.05330	6.1
61.02933	39.5
62.03236	1.6
67.05518	7.7
69.03423	6.1
69.07066	2.7
69.63764	3.0
69.64181	6.9
71.05007	1.7
71.96878	1.6
73.02917	9.0
74.09708	1.8
76.04001	5.1
79.05502	12.8
81.03421	4.2
81.07041	9.9
83.04973	2.2
83.06062	1.1
83.08563	1.3
84.03986	1.1
84.04512	6.9
85.02908	38.7
85.04015	5.1
86.09758	1.4
87.04389	1.4
91.03436	1.5
91.03967	22.5
91.05494	8.7
92.01719	1.9
93.07052	9.0
95.04963	2.1
95.08605	5.0
97.02901	23.5
97.06530	1.9
98.21494	2.9
99.04445	2.0
99.08087	2.3
105.07039	5.8
107.08566	3.0
109.02881	1.7
109.10127	2.4
112.03943	2.1
113.03484	3.2
115.03914	2.2
115.07574	2.7
117.06968	1.6
117.09135	31.1
118.09451	4.7
119.08569	4.1
121.10146	5.1
127.03910	7.2
127.04842	2.2
129.06960	1.6
130.03209	1.5
130.05005	9.6
131.04521	3.1
131.08580	2.9
133.06505	1.5
133.10141	3.1
145.04945	6.4
145.06065	2.5
145.10136	2.1
147.11755	1.8
149.09596	1.3
159.11719	1.7
171.07719	1.7
173.13232	1.5
175.13330	9.7
176.13658	3.0
177.03304	17.4
179.04764	1.5
181.06099	1.7
184.07393	3.8
185.03835	3.1
201.07895	2.5
202.04074	3.7
202.08670	3.0
205.06490	1.4
206.67529	1.5
214.08647	61.9
215.09015	4.4
233.17432	3.0
240.10237	3.9
246.05972	4.2
257.04996	2.6
258.17456	1.8
288.06689	2.2
297.17105	1.8
298.05270	1.8
298.17853	2.0
306.07526	2.2
307.22726	2.6
325.16644	4.6
326.17419	3.1
328.13580	2.9
358.15259	1.6
410.14078	2.3
417.21332	5.2
448.17972	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.3
53.04175	0.9
55.01875	2.2
57.03422	1.9
61.02892	1.0
68.35808	1.2
68.99802	1.1
69.03435	10.0
71.04998	2.1
71.49524	1.4
73.02910	2.0
75.18911	1.0
79.05499	1.8
81.03423	7.1
81.07053	1.9
85.02911	16.8
87.00845	5.0
91.01002	0.9
91.05484	3.0
94.04179	2.9
97.02937	4.6
97.06508	2.5
97.95381	0.9
99.04470	2.8
102.33920	0.9
103.05445	2.4
105.01893	4.5
105.07015	4.1
107.05014	0.9
109.02899	9.1
109.06501	2.4
115.05466	3.6
117.05979	0.9
117.07022	4.3
121.10180	1.0
122.03668	4.6
127.03917	12.0
127.91351	1.0
128.06247	2.8
129.01794	1.5
129.07010	10.3
131.04947	3.1
133.06480	3.7
133.07510	0.9
137.05984	100.0
141.07014	3.4
145.04950	3.0
145.06485	16.5
146.03636	1.6
147.04385	3.8
147.08017	1.2
149.05986	2.7
151.03838	1.1
151.07480	0.9
157.06505	21.0
159.02911	4.1
159.08049	1.3
161.05969	9.9
162.06752	2.9
169.06500	15.4
175.07594	1.5
177.05521	1.8
187.07584	5.3
190.07787	4.0
191.08592	1.7
193.10120	1.3
199.07407	1.0
202.07819	2.9
203.08632	5.0
204.09360	1.8
205.06476	1.4
205.10101	4.7
206.07237	1.1
215.08606	6.5
218.07286	4.7
219.08031	3.2
220.08875	1.1
221.09682	5.8
231.05087	2.4
231.08116	2.4
232.08836	2.1
233.09665	8.7
234.06799	2.4
236.08220	1.1
243.08058	1.6
247.07555	1.3
248.08461	1.4
249.09119	5.0
250.09709	1.1
251.10765	1.8
253.08627	1.5
255.28650	1.0
259.07367	1.2
260.08160	1.8
261.09128	18.1
262.09814	1.2
265.12268	1.3
277.08789	1.3
279.10144	2.5
281.11725	17.8
293.11697	17.5
303.10062	1.9
305.11707	2.4
309.10977	1.4
311.12674	5.0
317.11508	1.2
323.12473	2.2
347.12643	1.1
350.14908	1.5
353.13632	1.7
376.12714	2.2
397.12589	17.4
397.17798	1.6
401.13824	1.3
407.14734	6.7
422.17148	10.9
425.17709	2.7
453.79065	1.1
559.18011	9.9
559.26263	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	559.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.6
55.01873	8.0
57.03439	5.0
61.02917	3.7
68.99774	2.6
69.03429	19.5
71.04982	3.1
71.49435	2.8
73.02911	3.9
77.39086	1.9
79.05521	1.9
81.03419	19.2
82.43183	1.9
83.04964	2.4
85.02908	39.2
87.00828	19.8
87.04467	1.8
91.05490	8.0
95.04955	1.9
97.02905	22.4
97.06587	2.3
99.04445	9.5
103.03948	3.0
103.05465	3.7
105.01878	10.5
105.07048	5.2
107.04996	2.0
109.02898	16.9
109.06567	2.2
111.04466	2.3
115.03924	7.0
115.05474	6.3
117.01859	3.5
119.04914	3.2
119.08589	4.2
122.03654	5.8
127.03928	30.1
128.06267	2.1
129.01871	3.2
129.06998	5.0
131.04945	6.6
133.06523	5.1
133.46899	1.6
137.05986	81.9
141.07027	7.9
144.05791	2.4
145.04971	6.9
147.02902	3.1
147.04335	2.9
147.08072	5.3
149.05988	6.3
151.03929	12.6
151.07558	10.0
155.04848	4.2
157.06450	1.9
159.02921	9.0
159.07999	4.1
160.05148	2.6
161.06006	20.0
162.78246	1.9
163.03905	1.5
163.07549	5.7
167.04962	2.2
169.06506	13.5
173.05917	1.7
175.07565	22.8
186.06735	1.9
187.07562	14.6
189.03931	3.1
189.05421	4.9
189.06969	3.2
190.07820	6.1
191.07018	4.3
191.08528	19.3
193.06511	2.5
195.08171	2.3
196.05176	2.1
197.06020	3.8
199.07558	12.0
201.05469	2.3
201.09122	4.5
202.07822	4.9
203.06975	4.4
203.08603	4.9
205.06465	2.8
205.10187	2.4
207.08118	3.5
208.08940	3.9
211.07533	5.0
213.09094	1.9
215.06798	1.9
215.08620	5.9
217.08588	2.4
218.07297	6.9
219.08057	25.6
220.08794	3.0
221.06007	2.1
221.09676	2.6
225.09120	2.8
229.08615	19.7
230.51501	1.8
231.05017	4.0
231.08081	6.4
232.08867	4.3
233.09604	5.1
234.06819	3.5
235.07594	5.8
236.08289	9.5
237.09152	4.2
241.08569	3.2
243.08058	9.3
244.08870	2.2
245.09863	2.1
247.07527	14.1
248.08411	4.1
249.09154	3.6
250.09851	2.8
251.10660	30.1
253.08690	3.6
255.08104	2.7
257.09961	2.0
259.07608	6.8
260.08307	7.7
261.09290	9.7
263.07071	3.3
263.10709	3.0
264.07874	10.7
265.08548	9.0
266.09534	2.8
267.10269	3.4
270.06769	2.1
271.07547	8.9
272.08383	4.3
273.08890	3.1
275.10699	8.6
276.07834	3.5
277.08688	5.0
278.09341	4.6
279.10196	42.4
279.68549	1.8
281.08170	5.1
283.09756	3.1
285.09067	2.4
287.07071	2.9
288.07837	9.0
289.08569	9.9
291.10098	10.1
292.07620	1.7
293.08524	2.5
293.11798	5.8
294.08847	2.4
295.09662	4.3
296.10391	5.7
297.11398	2.5
301.08563	4.1
303.10141	21.4
305.08093	2.5
307.13187	2.3
308.10480	4.3
309.11203	8.1
311.12784	100.0
315.10120	2.7
317.11838	2.6
319.09799	2.0
321.11246	18.8
323.12808	23.9
325.14371	4.0
327.09854	3.3
333.11258	7.8
335.12741	24.1
337.14453	3.6
341.11685	3.9
345.11133	4.3
347.12695	4.3
353.13843	25.7
359.12985	3.6
365.13907	5.1
369.11215	3.9
373.14505	2.5
377.13797	7.6
387.12305	3.0
401.13837	18.7
419.14871	11.0
425.17792	3.1
437.15921	3.7
505.14819	2.7
523.15887	5.0
541.16919	5.3
559.18237	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	559.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.3
53.03947	3.6
55.01866	6.1
57.03432	3.1
61.02929	3.7
68.99786	4.9
69.03435	17.7
71.01349	1.3
71.05005	2.3
73.02903	3.4
79.05473	1.5
81.03427	18.3
83.05010	1.5
83.91815	1.7
85.02911	36.1
87.00834	16.9
91.05480	6.2
95.04951	1.9
97.02888	17.1
98.21618	3.1
99.04464	6.8
101.42567	1.5
103.03954	3.1
103.05473	4.2
105.01867	8.3
105.07004	3.6
107.04957	2.5
109.02890	17.6
109.06507	2.7
111.04398	1.5
115.03970	3.2
115.05457	5.4
117.01854	2.8
117.07020	1.6
118.04125	1.7
119.04944	2.1
119.08586	2.9
121.06561	1.6
122.03640	6.9
127.03919	23.6
128.06274	2.3
129.01875	2.6
129.06996	4.8
131.04950	5.4
132.05685	2.0
133.06477	4.1
137.05986	72.2
141.07013	6.9
144.05667	2.1
145.04927	7.3
145.06512	2.4
146.03645	2.0
147.02940	2.0
147.04385	1.5
147.08051	5.0
149.05995	5.1
151.03922	11.2
151.07559	9.0
153.07030	2.2
155.04926	5.9
159.02896	9.8
159.08064	3.1
161.06004	17.5
163.07539	4.3
165.07030	1.9
169.06497	11.4
172.05165	2.0
175.07564	25.0
186.06844	3.4
187.07565	16.4
189.03935	1.9
189.05437	3.4
189.06992	3.3
189.09111	2.0
190.07806	5.6
191.07018	3.5
191.08553	20.4
197.05951	2.9
199.07530	13.6
201.09145	4.5
202.07834	3.4
203.06927	3.0
203.08601	3.9
205.06563	2.9
207.08105	2.8
208.08786	2.2
211.07536	3.9
213.09093	3.0
215.06795	1.6
215.08594	4.8
218.07375	6.8
219.08069	27.4
220.08833	6.4
221.06041	2.9
221.09636	2.1
223.07448	1.9
229.08595	18.2
231.04976	3.5
231.08093	7.6
232.08847	3.4
233.09616	4.9
234.06772	4.1
235.07544	4.5
236.08321	9.0
237.09137	4.2
241.08516	2.2
243.08096	10.1
245.09837	2.1
246.06647	2.1
247.07504	16.1
248.08372	5.2
249.09039	5.0
250.09894	3.0
251.10701	31.7
253.08664	4.3
259.07574	7.0
260.08319	9.7
261.09073	12.8
262.09766	1.9
263.07016	2.9
263.10834	2.8
264.07852	9.8
265.08624	6.4
267.10263	2.3
271.07437	6.6
272.08389	5.1
273.09232	3.2
274.09946	2.1
275.10706	7.0
276.07797	3.0
277.08694	7.2
278.09537	1.7
279.10178	41.4
280.10922	3.6
281.08142	4.4
281.11856	3.1
283.09860	2.5
285.08884	1.7
287.07230	1.5
288.07895	7.0
289.08624	8.7
291.10144	9.5
292.10995	1.6
293.08142	2.4
293.11688	4.5
294.08856	3.0
295.09711	3.2
296.10394	6.4
297.11209	3.6
298.09985	2.3
299.10513	1.9
301.08774	2.3
302.09436	2.8
303.10132	23.1
305.08270	1.9
305.11697	1.7
306.08887	2.9
307.09830	4.2
308.10449	4.0
309.11499	10.0
311.12796	100.0
315.10165	2.8
316.10962	1.5
317.11667	3.1
318.08786	2.0
319.09653	3.3
320.10394	4.0
321.11224	14.2
323.12827	19.8
325.08298	1.7
325.14322	4.2
327.10229	3.3
331.09772	1.8
331.13525	1.7
333.11346	7.8
335.12778	25.1
341.11667	2.6
343.09744	2.4
345.11148	4.2
347.12778	3.8
348.23370	1.3
351.10059	2.1
353.13855	32.0
359.12753	5.3
365.13818	3.2
369.11111	2.5
373.14410	3.3
375.66812	1.4
377.13806	7.3
383.12628	2.5
391.15414	1.4
395.14633	1.5
399.10800	1.4
401.13809	15.8
419.14902	10.4
437.15924	4.5
461.15564	3.0
479.16998	2.1
497.18201	5.9
523.15833	4.4
541.16907	6.8
549.77533	1.6
559.17194	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	559.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28423	2.2
51.39221	1.7
53.03934	5.4
55.01859	6.2
57.03429	5.0
61.02902	2.9
68.99783	3.1
69.03438	18.3
71.04983	2.4
73.02908	4.4
81.03423	21.8
81.07074	1.9
85.02914	40.7
87.00830	17.2
90.06100	1.7
91.05478	8.0
97.02898	16.7
98.21506	5.8
99.04451	8.1
103.03950	3.3
103.05466	7.8
105.01873	7.1
105.07027	5.4
107.04937	3.1
109.02888	14.5
109.06518	2.7
111.04420	2.5
115.03931	6.7
115.05472	4.6
117.01833	2.9
119.04947	3.7
119.08567	2.4
121.06502	1.9
122.03648	5.6
127.03935	22.4
128.06229	3.0
129.01797	3.5
129.05447	1.7
129.06969	2.9
131.04936	5.2
132.05699	2.0
133.06494	3.6
137.05991	71.2
141.06946	9.0
143.04953	2.3
145.04945	7.6
146.03561	2.4
147.04361	2.1
147.08051	4.1
149.05997	4.3
151.03912	11.6
151.07552	10.7
155.04889	4.6
157.06416	3.2
159.02856	8.6
159.08060	5.7
160.05203	2.3
161.05984	21.2
163.07538	5.4
165.07022	4.2
169.06520	13.7
175.07538	24.4
183.07990	2.3
186.06750	3.0
187.07516	16.2
189.03902	2.5
189.05428	5.5
189.06956	2.2
189.09119	4.0
190.07748	7.4
191.07028	2.8
191.08539	18.7
199.07492	11.9
201.09041	3.4
202.07721	2.8
203.08588	5.1
205.06448	2.7
205.10236	3.0
207.08017	4.0
208.08911	2.2
211.07544	4.1
215.06862	2.3
215.08598	6.0
218.07278	7.8
219.04922	2.0
219.08066	31.6
220.08739	2.1
222.06685	2.5
229.08604	15.5
231.05116	2.7
231.08014	9.0
232.08856	4.4
233.09607	5.9
234.06763	3.2
235.07631	5.5
236.08247	10.6
237.09280	2.6
239.06958	2.2
239.55292	1.9
241.08736	3.1
243.08055	9.7
245.09821	1.9
246.06825	2.7
247.07590	16.4
248.08389	4.3
249.09149	6.2
250.09990	1.9
251.06876	2.1
251.10695	35.8
253.08620	2.4
259.07626	3.0
260.08368	6.6
261.09024	10.8
263.07010	2.4
263.10721	2.9
264.07791	4.8
265.08688	6.1
267.10275	3.2
271.07513	5.4
272.08337	4.6
273.09116	2.6
275.06897	2.1
275.10623	6.2
276.07861	2.0
277.08737	8.7
277.11719	1.9
278.09412	3.7
279.10165	39.2
280.10623	2.6
281.07983	3.5
283.09814	2.6
283.13052	2.2
285.08987	2.0
287.10522	2.5
288.07788	8.5
289.08575	12.0
290.09424	4.5
291.10217	11.9
293.08426	2.2
293.11682	7.1
294.09012	2.6
295.09616	1.9
296.10400	7.2
297.11185	4.9
302.09491	2.4
303.10123	21.1
304.10910	1.9
305.08167	3.3
305.11813	2.1
307.09677	2.6
307.13171	2.3
308.10510	4.0
309.11227	8.2
311.12781	100.0
315.10217	4.2
317.08160	1.9
317.11603	2.9
318.08987	2.3
319.09647	4.2
320.10376	5.2
321.11182	18.6
323.12814	19.4
325.08609	2.2
325.14297	5.9
326.09366	2.3
327.10159	2.8
332.10355	2.4
333.11200	8.3
335.12686	24.1
337.14325	2.3
341.11511	2.5
345.11160	6.2
347.12701	7.0
353.13794	28.2
354.14224	2.1
359.12836	4.5
365.14020	5.4
369.11218	4.0
373.14297	4.4
377.13773	7.0
401.13840	21.2
419.14944	8.3
437.16254	3.0
473.18481	2.0
497.17966	3.5
505.14844	3.1
515.18475	4.1
523.15729	5.0
541.16772	6.1
559.18353	6.9
571.81696	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.0
53.50050	0.9
55.01870	3.0
55.05514	6.6
55.06316	0.9
57.03441	7.0
57.06797	1.4
57.07077	24.8
61.17810	0.9
62.08801	0.9
67.05178	1.2
67.05507	11.6
69.07078	5.8
69.85017	5.5
70.06571	1.1
71.04999	6.2
71.08630	19.2
79.05495	23.6
81.07061	14.7
83.04974	3.4
83.08630	7.9
85.06567	1.2
85.10191	8.5
89.06027	2.8
91.05486	22.0
93.07030	8.5
95.04949	6.9
95.08606	14.5
97.06521	3.2
97.10156	4.5
98.20730	1.1
100.11266	4.9
102.09186	1.5
103.07592	1.1
105.07045	8.7
107.08598	10.3
109.06488	1.8
109.10155	7.1
111.08086	6.2
115.05445	1.2
117.07019	11.4
119.08564	11.6
123.11706	3.2
125.09584	1.1
128.06226	2.2
131.08525	1.1
131.45811	1.1
133.06479	0.8
133.10126	17.6
135.08067	10.5
135.11665	1.9
137.13254	1.2
143.08514	4.7
151.11197	1.0
153.09114	4.0
161.09619	20.2
167.10680	1.6
179.10701	7.3
193.12154	1.3
211.13208	1.5
235.13281	7.3
239.23672	2.3
253.14348	2.1
257.24814	1.5
267.15973	2.0
285.16965	6.9
313.27374	100.0
314.27795	2.4
384.79471	1.1
389.58719	1.0
452.74860	0.9
465.35770	29.3
466.35425	1.0
473.36053	2.6
491.37921	1.7
505.38583	1.1
523.39740	11.1
552.89697	2.7
558.43597	1.1
558.53760	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	558.4732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	28.0
57.01840	5.7
57.07072	8.1
67.05513	72.4
69.07082	43.8
70.27050	25.2
71.04993	9.5
75.14281	6.1
75.50480	6.6
79.05501	33.7
79.05894	7.5
81.07056	100.0
83.08616	25.7
85.06579	6.8
89.06021	13.2
91.05463	26.4
93.07034	53.8
95.08614	91.2
97.06514	16.0
97.10143	23.3
99.08110	8.7
102.38972	6.1
105.07032	62.8
107.08582	24.5
109.10180	30.2
111.08093	10.9
111.11679	9.7
119.08604	14.9
121.10143	71.7
122.10445	7.1
123.11692	20.2
133.10120	20.8
135.11688	68.8
137.13287	14.3
147.11636	11.8
149.13251	7.3
165.12730	6.8
175.14760	6.5
187.53459	6.4
191.85397	7.1
217.19476	39.7
235.20601	95.5
251.20038	25.9
252.20364	11.5
253.21619	91.1
269.20944	8.1
271.22638	28.6
304.13910	6.4
335.16647	6.3
474.83020	6.5
530.50427	6.3
565.37842	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	559.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	13.2
55.01868	15.7
56.54617	2.0
57.03438	12.5
58.94053	2.0
61.02917	8.9
65.03944	2.1
68.99795	10.4
69.03432	50.4
70.90147	3.9
71.01347	3.4
71.04987	7.2
73.02579	2.3
73.02908	13.4
76.49105	2.2
78.48712	1.7
79.05480	8.4
81.02938	2.7
81.03415	53.6
81.03873	3.9
85.02905	98.2
87.00830	43.6
91.03928	2.8
91.05470	8.8
95.04984	2.4
95.28690	2.3
96.27738	2.1
97.02892	32.6
97.06552	1.9
99.04449	15.8
103.03931	10.4
103.05465	17.5
105.01876	20.3
105.03397	3.3
105.07040	44.3
107.04957	3.9
109.02879	51.7
109.06516	2.5
111.04451	2.4
115.03960	6.1
115.05431	14.9
117.01876	4.1
117.07015	3.2
118.04145	4.0
119.04961	5.6
119.08544	2.1
121.06542	2.3
122.03658	6.0
127.03911	68.1
128.06250	2.1
129.01859	7.2
129.07002	4.3
131.04935	23.2
132.05716	4.3
133.02856	36.1
133.06479	30.2
137.05975	100.0
141.06993	6.4
143.06003	4.0
144.05698	2.9
145.04962	14.0
145.06479	6.3
146.03659	2.4
147.02879	7.1
147.08040	6.6
149.05965	7.7
151.03949	13.7
151.07574	7.8
151.45103	2.1
155.04919	2.9
159.02893	20.2
159.04425	7.9
159.08051	4.2
160.05246	3.2
161.05986	82.2
163.07530	22.8
165.05478	7.2
169.06464	7.1
171.02979	3.9
171.04362	2.3
175.07541	36.5
176.04694	3.3
177.05463	5.9
177.09138	2.4
179.06972	2.1
186.06740	2.3
187.07549	24.8
188.04726	3.0
189.03915	7.1
189.05479	4.8
189.09068	3.0
190.07739	3.6
191.07030	31.4
191.08623	9.3
197.06007	6.4
199.07561	9.2
201.05524	3.0
201.09114	6.8
203.07050	12.7
205.06493	4.0
205.08534	4.1
207.08134	3.0
211.07578	2.8
213.03706	2.1
213.09111	3.5
215.06932	5.0
217.06671	3.3
217.08745	3.1
218.07275	2.2
219.08008	14.6
222.06866	3.1
223.07553	2.2
229.08597	15.6
231.04887	11.8
231.08148	2.9
233.05972	3.6
233.08118	9.3
234.06744	5.1
235.07452	2.3
236.08249	4.8
237.09087	7.7
247.07578	7.6
248.08311	3.1
249.09175	5.5
251.07091	2.8
251.08340	2.0
251.10629	12.5
257.08026	9.9
261.09134	5.6
263.10675	3.8
264.07819	2.7
265.08640	7.0
266.09229	3.1
271.07581	2.9
275.09140	3.4
277.08609	16.2
279.10056	18.1
289.08618	4.7
290.09402	2.1
291.10147	6.6
293.11813	3.1
296.10352	3.4
297.11276	14.9
303.10159	7.0
309.11392	10.4
310.12036	3.2
311.12808	43.4
315.10172	2.5
320.10748	2.3
321.11234	10.9
323.12665	13.5
333.11136	3.7
335.12863	10.7
337.14194	2.3
353.13882	7.1
379.09991	2.8
401.13791	4.6
419.14651	3.1
473.17987	7.6
515.18933	3.5
523.16376	2.9
541.16821	3.2
548.54169	2.3
559.17755	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	558.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	8.9
55.05501	7.9
57.03435	3.1
57.07081	4.1
59.05003	22.1
61.02934	6.2
67.05496	8.8
69.03448	19.0
69.07059	6.6
70.06594	3.4
71.05007	8.2
71.49383	3.8
73.02903	5.9
73.31818	3.6
79.05488	7.0
81.03413	9.0
81.07051	15.0
85.02908	24.0
85.06535	11.5
87.00825	14.4
89.02389	9.4
91.05474	6.1
93.07043	20.0
95.04961	4.8
95.08617	32.2
97.02894	11.0
97.06515	9.8
99.04469	16.2
105.01874	4.3
105.07027	13.1
107.08570	16.9
109.02855	4.1
109.06507	5.9
109.10159	11.4
111.08118	6.2
113.09620	11.8
117.06965	3.5
117.09128	7.9
119.08583	18.7
121.10141	17.3
122.09693	5.7
127.03938	17.1
129.06995	3.5
131.03412	23.4
131.08553	7.9
133.10107	16.1
135.08034	11.8
135.11679	5.4
137.05983	6.5
137.09642	10.2
143.08539	9.0
145.04915	9.8
145.10098	6.3
147.11642	10.5
149.09584	3.8
155.10643	7.0
157.10129	5.9
159.02766	3.7
159.11671	13.4
161.05949	3.6
161.09590	13.1
163.11168	4.6
167.10632	7.1
171.11670	5.4
173.13246	8.2
175.11192	5.9
175.14799	4.5
177.09193	3.7
183.11703	5.3
193.12267	8.1
199.14821	11.6
201.12759	7.2
217.15891	12.7
219.13715	18.5
224.34079	3.7
237.14842	16.2
239.17995	4.9
257.18973	11.8
275.20065	62.3
293.21118	100.0
510.53198	3.3
514.27997	11.8
538.61017	3.9
541.26251	16.7
558.27057	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	558.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01933	0.4
55.05508	0.6
57.03440	5.5
59.05006	100.0
60.08160	0.6
61.02935	2.6
67.05514	1.1
69.03446	1.1
69.07066	0.6
70.06604	0.8
71.24406	0.8
73.02926	1.1
79.05505	1.3
81.07080	0.9
84.04529	0.6
85.02915	2.9
86.09732	1.6
87.04479	0.5
88.29064	0.4
91.03986	1.6
93.07052	0.9
95.08618	0.8
95.21709	0.5
95.63136	0.5
97.02905	1.5
97.06541	0.8
99.08109	1.1
101.09668	1.5
104.10776	0.8
105.07042	0.6
107.08662	0.7
109.04044	0.6
115.05539	0.6
115.07587	3.1
117.09145	34.4
125.00063	1.5
127.03971	0.6
127.05064	0.7
131.08588	0.5
133.10204	0.8
137.06073	0.5
145.05011	0.6
149.02397	0.8
173.11652	0.6
175.13312	14.7
175.14711	1.0
177.03300	0.7
184.07326	8.1
184.08754	0.6
193.05014	0.6
199.44917	0.5
200.20236	0.9
204.10254	0.6
214.08649	2.9
233.17484	3.9
254.12955	1.2
291.21936	1.0
310.19144	5.3
322.10968	0.5
366.48923	0.5
448.18814	0.5
455.19131	0.6
558.27356	1.0
589.58276	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01805	4.5
55.02090	0.6
55.05457	1.0
56.04977	0.8
57.03386	0.5
68.47224	0.6
69.07042	1.0
69.36833	4.0
70.06519	2.5
73.02837	9.4
73.03275	0.8
79.05429	0.9
81.07001	1.1
81.07413	0.4
82.06510	0.5
82.06966	0.4
84.04457	0.6
84.08056	3.4
85.32253	0.4
91.05421	0.8
96.24453	0.4
97.06541	2.3
98.05972	1.7
98.09596	1.8
99.08038	0.8
101.05930	0.7
103.05399	0.6
104.64725	0.5
105.06948	0.9
107.04846	0.5
107.08495	0.7
114.09126	0.6
114.60026	0.5
115.05396	0.7
117.06897	0.7
119.04835	0.5
121.06437	0.6
123.04353	1.2
123.33938	0.5
126.09151	3.6
131.04807	0.7
134.05908	1.9
135.06596	0.6
137.05988	2.9
143.04855	0.6
143.08472	0.6
145.06403	1.0
147.04294	1.3
148.05136	0.6
148.07510	1.0
149.05916	1.5
150.05513	0.5
157.06435	0.8
157.09999	0.6
161.05876	2.1
162.05524	2.6
162.06682	0.9
163.06317	5.7
163.07515	1.1
164.06952	1.3
169.10014	0.6
174.09180	0.6
175.07538	2.5
176.06917	1.7
176.08308	0.8
177.07866	6.2
177.09244	0.5
188.07053	0.7
188.10654	0.8
189.09038	1.4
190.06984	0.8
190.08647	12.0
191.09308	0.6
195.07947	1.0
201.08952	0.5
202.08545	1.1
202.12218	0.7
203.10730	0.7
204.10091	1.6
204.13686	2.1
209.05865	0.9
209.09592	0.9
211.07381	0.7
213.05460	3.3
215.10622	0.6
216.10143	2.3
216.13666	0.6
223.07455	2.2
225.08963	0.6
227.07024	1.0
230.11801	0.6
232.09497	0.5
232.13310	1.5
233.14087	7.4
234.14732	0.5
235.07405	0.6
237.09070	0.7
239.07010	1.1
239.10648	1.0
241.08501	2.0
242.54442	0.5
251.06960	0.8
253.08556	1.6
255.08861	1.7
258.14807	0.9
260.12677	1.1
260.17584	0.5
264.27502	0.5
274.14328	0.6
281.08118	0.6
282.11288	10.8
286.17966	2.3
287.18948	2.2
288.19608	1.5
293.07803	0.7
293.15308	0.9
309.09982	1.3
310.10959	2.2
323.11890	0.6
323.16290	1.1
326.10397	0.7
327.11053	2.0
328.11703	3.2
330.20682	2.7
336.12366	0.9
336.15918	3.7
352.15268	0.6
352.19073	1.8
354.13162	1.0
364.15579	0.9
370.16318	1.5
378.17114	1.4
380.18652	3.8
381.16409	0.8
382.16302	1.1
383.18402	1.6
396.18164	1.2
398.19775	4.2
400.21545	0.5
407.14886	1.2
424.17795	2.7
434.23346	0.5
452.24356	0.8
478.25885	5.6
496.26968	29.8
514.28033	100.0
515.28424	1.5
540.25903	1.5
558.27032	38.0
559.26886	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75087	2.3
53.03943	8.6
55.01876	4.1
55.05498	6.2
57.03447	2.9
59.04993	5.4
59.51681	2.3
60.49072	2.0
61.02922	8.1
62.90417	2.1
67.05498	7.0
69.03434	16.3
69.07065	7.3
70.06591	2.4
71.04987	4.0
71.50062	4.7
73.02901	8.8
75.29924	2.2
79.05490	16.0
81.03432	16.8
81.07060	14.1
85.02904	32.7
85.06542	5.1
87.00821	18.3
91.03937	6.4
91.05487	29.5
93.07047	12.7
95.04960	2.4
95.08617	10.7
97.02887	24.1
97.06533	5.0
99.04467	8.7
103.03914	2.3
105.01875	7.3
105.07037	65.5
107.04964	16.2
107.08599	8.2
109.02898	14.0
109.10169	16.9
113.09674	4.4
117.07038	3.2
119.08577	9.3
121.06516	7.0
121.10116	6.0
123.04430	3.2
123.08079	2.3
123.11734	3.8
127.03918	25.1
129.06978	3.3
131.05002	2.3
131.08583	9.5
133.06537	3.4
133.10130	19.2
135.04422	3.1
135.08069	3.4
135.11699	3.3
141.06938	2.8
145.04951	12.3
145.10164	9.9
147.08047	5.3
147.11719	5.0
149.02341	4.4
149.05965	10.0
151.07542	4.3
151.11215	4.0
151.17226	2.6
155.08549	7.7
159.02919	9.0
159.11678	3.9
161.09634	5.1
161.13246	3.0
163.07542	3.9
165.09082	3.1
167.10672	4.0
169.10127	5.8
169.52412	2.2
175.11246	2.4
176.07066	2.3
177.09105	2.5
185.13371	2.8
187.14755	4.9
201.12738	3.4
201.16391	11.9
203.07149	2.3
206.11768	3.4
211.14799	27.0
219.13896	2.8
229.15826	16.4
231.05171	3.6
247.16942	9.0
257.15439	3.4
257.18805	2.5
275.16437	100.0
275.19809	5.2
276.16687	3.2
293.17523	18.8
293.21152	7.0
387.30954	2.5
414.59167	2.2
429.77170	2.2
446.27301	6.0
446.77167	2.9
468.28204	2.5
514.27606	6.2
523.21698	6.8
558.26099	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	5.6
55.05520	4.9
58.20481	3.4
59.99101	5.6
60.08163	13.3
63.35555	3.0
63.80244	3.3
69.03419	11.8
69.46801	26.5
73.06559	23.5
78.45216	3.5
81.03419	10.2
85.02918	23.3
87.00835	7.9
90.09198	52.0
94.06577	75.4
94.80615	3.4
95.08665	3.8
97.02878	8.0
99.04487	4.5
102.03733	4.9
105.01882	8.5
109.02865	9.0
119.06400	11.9
127.03965	17.0
132.04791	9.8
145.04980	10.1
173.11070	13.9
176.06998	3.3
179.11795	100.0
180.09998	3.4
191.12170	28.2
195.52866	3.3
217.10054	8.6
231.05113	5.4
236.85732	3.4
263.97714	3.5
338.14554	21.7
439.17361	5.4
474.96622	3.9
514.27917	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	558.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
57.07082	3.1
59.00240	0.2
59.04989	0.5
59.24062	0.2
61.02919	0.5
67.05503	0.4
69.03426	0.3
70.06589	0.5
70.97447	0.2
71.48689	0.2
73.02926	0.4
73.62930	0.2
76.90974	0.2
79.05476	0.5
80.69751	0.2
81.03423	0.3
81.07021	0.4
82.05322	2.5
83.06095	0.6
85.02901	0.7
86.09704	0.3
88.07624	0.5
91.03951	0.5
91.05472	0.5
93.07021	0.4
95.04951	0.3
95.08614	0.4
97.02914	0.5
97.63009	0.2
102.09152	0.3
105.07024	0.6
107.08625	0.3
109.04006	15.1
109.07645	0.8
110.08438	0.4
111.09217	1.7
116.04966	0.6
119.04858	0.2
119.08524	0.3
122.04788	0.5
126.04243	0.8
127.04073	0.4
127.05040	12.1
129.06981	0.3
131.08588	0.3
137.06087	0.5
137.07097	4.0
143.07222	0.3
144.04454	0.8
144.08092	0.5
149.02388	0.7
155.08156	2.0
161.13174	0.3
162.05492	0.5
171.09140	0.7
181.07668	0.3
183.09160	2.2
184.07393	1.0
186.05510	0.5
193.04993	0.7
198.10268	0.7
199.08673	2.3
200.20102	0.7
204.10139	0.2
208.08727	0.4
209.10753	0.4
211.08711	0.6
226.09737	4.9
236.11803	1.1
238.09773	2.2
239.15457	0.3
252.11363	0.3
253.12134	3.2
254.12897	34.0
255.13324	0.3
266.12878	0.3
294.15933	0.3
310.19135	100.0
311.19516	1.1
341.06473	0.3
352.20129	0.4
373.63724	0.2
385.09232	0.7
446.27316	0.4
472.24561	0.4
514.26727	0.5
540.23322	0.4
558.24725	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	557.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
58.57656	0.7
58.99852	0.9
69.03408	0.9
70.99854	1.1
71.12531	0.7
71.48212	0.9
71.48554	1.0
82.99824	3.9
94.99853	1.1
97.02879	1.4
98.04987	0.8
98.97577	1.7
101.00882	25.3
109.01392	1.3
109.02863	0.7
113.00858	5.5
115.02431	0.9
119.01927	21.9
119.09241	0.7
127.02425	12.0
128.01326	0.9
129.03975	2.1
131.01913	12.5
133.03450	1.4
137.00850	1.0
137.01883	1.0
137.02930	1.4
138.39293	0.7
139.02403	2.6
141.03957	1.7
143.01906	33.7
145.03471	28.9
147.05083	0.9
152.02437	0.9
153.03896	3.7
155.01906	20.9
157.03482	7.2
159.05014	6.3
161.02971	20.9
161.04324	0.8
163.04498	3.0
167.01904	14.7
169.03468	44.6
170.99963	0.8
171.01414	3.2
171.05058	14.3
173.02971	22.1
175.04518	1.5
179.01851	8.5
179.03133	0.9
181.03488	4.3
183.05008	1.9
185.02963	45.4
186.03192	1.2
186.20946	0.8
187.04536	36.3
188.04634	1.1
189.02422	4.8
189.06087	1.1
191.04071	1.4
193.03458	1.3
195.01302	1.0
195.05179	1.1
197.02966	22.6
197.06598	0.9
199.04527	6.0
201.02573	1.0
201.06154	1.1
203.02100	1.0
203.04010	14.2
203.54233	1.0
208.04524	0.9
209.03004	2.3
211.04547	7.0
213.02483	9.4
213.06107	2.2
214.85120	0.9
215.00682	1.0
215.04025	20.4
221.03067	0.9
221.05128	2.4
223.04527	2.5
224.04594	1.4
225.02443	2.6
227.04045	9.7
228.03983	1.3
229.05614	3.0
231.03519	8.1
233.04999	2.0
237.02748	0.8
239.03981	2.2
241.05611	1.6
243.03545	1.1
245.05081	100.0
245.76137	0.8
246.05293	2.7
257.01474	3.1
257.05072	8.2
261.04636	1.3
263.06143	11.0
271.06671	5.9
273.04572	1.4
275.02551	23.4
275.06116	92.3
276.06339	3.1
284.06699	1.5
287.02512	7.9
287.06137	8.8
289.07764	1.1
293.03571	3.6
293.07202	8.8
297.04611	1.1
299.06055	1.0
305.03622	6.6
305.07178	18.1
306.07358	1.1
315.05734	2.1
315.41269	0.8
317.03653	1.4
317.07211	4.1
319.08652	0.8
333.06570	1.5
335.04581	8.1
335.08310	8.8
335.46848	0.8
341.03415	1.1
352.33731	0.8
359.04456	6.8
359.08026	0.8
365.09296	11.3
377.05560	15.6
377.09518	2.5
378.05441	0.7
395.06628	19.9
396.06860	1.0
539.11108	1.5
557.11401	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	557.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.4
53.90090	2.0
54.78753	2.1
55.01863	7.6
55.05505	9.3
57.03426	6.8
57.07064	5.4
61.02933	3.2
66.92298	2.3
67.05495	10.2
68.99770	5.5
69.03435	30.8
69.07063	7.5
70.06579	5.8
71.04997	100.0
71.48902	3.7
72.08156	2.9
73.02915	6.1
79.05481	7.4
81.03432	34.4
81.07040	8.0
83.04974	8.2
83.08607	4.4
85.02390	2.6
85.02908	51.4
85.06557	12.4
87.00829	19.8
87.04469	2.9
91.03963	2.9
91.05497	6.9
91.45536	2.4
93.07055	13.9
95.04958	2.8
95.08596	13.3
97.02905	17.5
97.06523	10.7
99.04451	15.0
105.01891	18.4
105.07030	18.3
107.08617	18.9
109.02877	28.7
109.10184	13.8
111.08084	14.7
119.08605	18.0
121.10126	19.4
123.08074	4.0
123.11673	5.2
125.06550	2.4
125.09625	5.2
127.03922	43.5
129.01802	3.1
130.06500	3.9
131.08551	8.9
133.10149	19.5
135.07947	4.3
135.11678	8.9
137.05986	5.2
137.09654	3.5
140.64783	2.4
144.09286	3.0
145.04938	11.3
145.10133	14.7
147.02893	3.7
147.04369	3.3
147.11678	22.7
149.13235	7.7
151.11154	4.2
157.10124	5.0
159.02948	16.8
159.11723	16.7
161.06021	4.5
161.09627	5.6
161.13246	8.1
163.11102	3.3
165.12747	3.6
171.11626	4.0
173.13274	9.2
175.07628	2.8
175.11252	5.1
175.14832	7.2
177.12767	2.2
185.13113	3.8
187.14838	6.0
189.16418	24.8
191.14249	7.3
199.14793	9.3
203.14284	3.3
203.17929	4.2
204.13586	2.5
207.17432	23.5
213.16373	2.9
215.17957	7.7
217.15909	14.0
221.18974	3.3
229.19516	5.4
231.05013	5.6
231.17410	7.2
233.18953	7.7
235.16885	22.1
255.21109	12.5
273.19000	3.0
273.22137	57.1
288.12143	2.7
291.23184	55.2
309.11371	2.3
309.24359	12.2
414.86359	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	557.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17931	1.4
62.30514	1.2
66.78064	1.2
70.39832	4.3
82.99866	4.4
97.02883	1.4
100.38638	1.3
101.00886	28.7
109.01356	2.5
109.02895	1.9
113.00847	8.3
119.01926	27.7
127.02432	12.6
129.42758	1.3
131.01927	13.7
133.03473	2.3
137.00940	1.8
139.02394	2.9
141.03915	3.1
143.01074	0.7
143.01895	30.9
145.03477	38.2
151.02380	1.4
153.03964	2.7
155.01891	21.7
157.03503	7.2
159.05025	8.9
161.02956	23.2
162.99001	1.3
163.04552	3.3
167.01889	17.8
169.03473	54.4
170.97153	1.3
171.01382	3.2
171.05025	10.3
173.02989	22.9
179.01869	9.6
181.03450	5.9
183.05122	1.6
185.01367	2.7
185.02974	46.5
185.06558	1.6
187.04529	46.5
189.02460	7.2
189.06210	1.6
197.02963	24.7
197.06662	1.5
199.04471	7.6
203.04034	14.0
209.02969	2.3
211.04529	8.7
213.02448	12.3
213.06136	2.5
215.04031	17.9
221.05048	2.1
223.04466	2.5
224.01160	1.5
225.02380	3.8
227.04021	11.7
229.05592	2.8
231.03542	11.6
233.05022	1.6
239.03954	2.4
241.05577	2.1
245.05089	100.0
246.05244	2.6
253.05542	2.4
257.01352	4.3
257.05121	6.9
263.06168	12.7
271.06674	6.2
273.04532	2.3
275.02515	31.3
275.06104	87.7
276.02957	2.3
276.06116	2.2
287.02466	11.5
287.06082	8.8
289.07355	1.7
293.03513	6.5
293.07162	9.1
305.03546	9.4
305.07184	18.2
315.05600	3.5
317.03574	2.4
317.07199	3.7
323.08215	1.3
333.06567	1.7
335.04520	12.1
335.08292	7.7
341.03525	3.2
341.07404	1.3
357.33179	1.5
359.04599	10.3
359.08441	2.5
365.09192	10.5
377.05603	20.5
377.09476	4.1
395.06699	31.6
395.11526	2.9
500.88892	1.4
539.11005	3.1
557.11670	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	556.4574
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70043	1.4
55.05278	1.5
55.05503	9.3
57.69876	1.5
65.03918	1.7
67.05510	49.8
69.07071	9.4
69.16628	13.7
79.05502	19.4
81.07065	46.4
82.41109	1.4
83.08620	10.7
85.06541	1.8
91.05485	11.7
92.12341	1.5
93.07050	28.3
95.08616	45.0
96.52901	1.3
97.06528	7.7
97.10178	2.5
98.20687	3.3
99.08073	2.4
101.44642	1.4
105.07028	6.4
107.08601	16.0
109.10158	20.0
111.08092	9.7
113.09588	1.4
119.08617	7.7
121.10152	36.7
123.11710	7.6
125.09592	2.4
131.08559	2.8
133.10149	14.1
135.11700	34.2
137.09587	2.9
137.13257	3.0
139.11201	1.7
145.10103	3.2
147.11662	3.9
149.13301	9.2
151.11205	3.4
159.11700	3.8
161.13240	1.7
175.14781	1.6
215.17969	18.0
217.19550	4.6
233.19022	11.4
235.20569	19.1
251.20090	100.0
253.21597	6.9
269.21155	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	556.4573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.9
55.05513	9.2
61.87838	1.7
65.03945	1.7
67.05511	57.4
69.07081	10.4
69.16650	15.2
69.17062	5.0
71.05006	3.2
72.98589	1.5
76.01584	1.7
77.90024	1.4
79.05499	26.1
81.07061	48.9
83.08617	13.5
85.06548	3.5
91.05473	11.4
93.07044	31.3
95.08612	54.5
97.06544	9.5
97.10168	2.8
101.83375	1.7
105.07042	6.2
107.08609	17.7
109.10166	16.8
111.08080	10.4
112.73237	2.2
116.24313	1.9
116.43655	1.8
119.08569	7.3
121.09332	3.3
121.10153	44.6
123.11700	7.9
133.10135	20.5
135.11697	40.0
137.13272	2.4
145.10098	2.6
147.11685	5.2
149.13266	7.5
151.11163	6.3
159.11688	2.8
165.12439	1.8
173.13220	2.8
187.14856	1.9
215.17963	16.3
217.19511	4.4
233.18997	10.9
235.20583	22.3
251.20078	100.0
253.21616	5.6
269.21115	28.6
438.54074	1.9
473.25620	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	556.348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	6.9
55.05504	13.6
57.03432	7.0
57.07077	5.2
60.01788	4.4
61.02924	11.2
67.05508	70.8
69.07055	21.0
69.15799	17.5
69.16219	33.2
70.98402	4.4
71.04996	6.3
79.05503	60.9
81.06660	6.3
81.07067	75.0
83.08621	5.8
85.06531	6.6
90.07126	4.5
91.05480	100.0
93.07046	59.1
95.04945	8.7
95.08611	58.2
97.06509	7.9
99.07416	4.9
99.08047	4.5
105.07045	68.3
107.08598	41.3
109.10155	23.3
117.07021	34.4
119.07844	5.2
119.08607	59.1
121.10143	35.8
123.11729	16.5
125.09700	5.7
128.06197	6.0
129.07007	28.0
131.08575	62.7
133.10158	43.1
135.08057	6.0
135.11711	28.5
141.07019	14.5
143.08575	16.3
145.10130	47.2
147.11716	29.0
149.09628	12.3
149.13297	10.9
155.08522	14.4
157.10117	19.8
159.11691	39.1
161.09625	11.7
161.13264	17.8
163.11211	6.7
163.14987	6.2
169.10150	17.1
171.11676	16.3
173.13283	17.4
175.11183	6.2
175.14847	9.0
177.12766	5.9
183.11699	19.7
185.13330	22.5
187.14861	24.0
189.12843	6.1
189.16310	7.7
197.13260	16.1
199.14799	14.1
201.12708	6.4
201.16364	27.2
203.14320	6.3
211.14857	7.9
213.16359	5.5
215.14330	7.8
225.16481	12.4
241.19456	5.3
267.21115	44.9
285.22116	27.8
359.25491	5.0
377.26566	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	556.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22678	0.6
55.01849	1.7
55.05521	4.1
57.03440	7.0
57.06803	1.3
57.07079	24.5
59.04988	0.9
67.05505	11.3
69.07072	4.7
69.81452	3.3
70.06583	1.4
71.04968	1.0
71.08633	17.8
75.19791	0.6
79.05499	5.7
80.47800	0.6
81.07057	11.7
83.01325	0.7
83.04981	1.5
83.08625	6.0
85.06525	1.0
85.10192	10.0
87.04468	0.7
89.06033	7.8
91.05482	3.7
93.07052	3.5
95.08611	13.1
97.02889	1.5
97.06549	3.1
97.10172	2.7
103.07602	1.1
104.10741	1.6
105.07043	1.3
107.04948	1.9
107.08573	2.2
109.10154	6.8
111.08063	0.8
115.05428	1.0
117.07029	5.5
119.08556	1.5
121.02869	0.7
121.10148	4.0
123.08033	0.7
123.11698	2.1
131.04926	1.4
131.08603	1.0
133.08627	3.4
133.10106	1.8
135.08081	0.9
135.11693	4.0
137.13272	0.9
145.06514	4.1
163.07565	3.4
173.06085	1.5
177.11237	1.4
191.07056	1.1
202.20766	0.5
209.08078	1.4
215.18011	0.8
227.09050	1.8
233.18686	0.7
235.20641	1.5
239.23613	1.8
251.20087	4.9
257.24774	1.7
269.21149	1.3
283.11661	3.9
283.26300	3.4
287.22202	3.0
300.28815	1.2
311.29477	1.4
313.27368	100.0
314.27896	1.6
371.22720	1.7
521.34613	2.5
539.62299	0.7
551.89227	1.0
556.40137	1.0
556.52991	7.9
565.83783	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.4414
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	6.6
57.07080	59.3
58.06506	2.1
59.04997	7.8
63.22453	1.9
67.05509	11.7
68.47636	1.8
69.07091	9.1
70.06607	2.8
71.08635	46.8
71.49301	4.2
73.06549	6.2
79.05495	8.3
81.07075	11.9
83.08603	7.2
85.06532	2.4
85.10189	34.5
87.04470	5.9
89.06036	100.0
91.05479	8.6
93.07042	6.9
95.04976	4.8
95.08620	11.1
96.68332	2.0
97.10165	9.2
98.06062	4.7
99.11733	8.7
105.07023	11.0
106.07381	2.0
107.04942	2.5
107.08588	4.8
109.10122	5.2
111.11735	3.5
113.13257	3.7
117.07041	2.4
117.09154	5.5
119.08594	3.4
121.10161	6.5
131.06996	2.0
131.08588	3.3
133.08612	68.4
133.10133	3.7
135.11688	5.8
145.10129	3.9
149.13268	2.0
177.11201	24.7
215.17964	2.3
221.13843	6.1
233.19209	2.4
251.20140	10.0
257.24750	3.3
264.06696	1.8
265.16425	2.9
283.17615	2.9
283.26309	2.8
301.27341	4.5
314.75458	1.9
327.19928	3.0
338.21350	1.9
371.22842	11.2
400.05472	1.8
409.39828	2.0
539.41437	11.6
556.37048	4.3
556.44849	2.8
556.52948	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	556.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55825	0.5
55.01810	2.9
55.05481	0.6
56.04990	0.9
57.03390	1.0
59.04943	1.8
64.61380	0.5
67.05437	0.4
69.07002	1.6
69.19879	3.6
69.20287	1.3
70.06519	2.2
73.02840	7.0
73.03268	1.2
79.05444	1.0
81.06980	1.8
82.06529	0.6
84.04450	0.7
84.08134	2.8
85.02853	1.0
86.09644	0.7
91.05412	1.5
93.06982	0.5
97.06467	1.4
98.06007	0.8
98.09621	0.7
99.08025	0.6
105.06944	0.8
114.09084	0.7
119.04903	0.6
126.09052	1.8
131.04900	0.5
134.05988	0.5
137.05893	0.8
141.06950	0.5
143.04895	1.3
143.08446	0.6
145.06389	0.8
147.04282	1.9
153.06839	0.6
159.08029	0.6
160.05132	0.7
161.04652	0.8
161.05881	1.5
162.05482	1.4
163.06158	2.3
163.07431	1.0
173.05919	1.6
175.07518	0.9
176.06973	0.9
177.07701	0.7
178.05005	3.6
185.09596	0.7
187.07451	1.6
188.06999	2.3
194.03738	1.5
197.05807	0.9
197.09526	0.9
199.07625	0.6
201.09119	1.0
202.08560	1.2
213.05397	1.9
215.10612	1.2
216.10123	1.8
223.07507	0.9
225.05289	0.7
225.09264	0.5
227.07034	0.7
227.09109	0.6
230.08136	1.1
230.11632	1.0
231.12433	1.5
236.08482	3.2
239.06970	1.2
242.11659	0.6
246.10962	0.6
251.07045	1.1
252.07645	0.8
253.08598	1.4
255.08920	6.7
263.14267	0.6
266.15451	0.6
282.11255	46.4
283.11749	1.8
284.16440	1.1
286.14417	0.8
286.17883	1.1
287.07758	1.4
300.15933	0.6
307.13379	0.6
309.09967	4.6
309.14774	1.3
310.10724	3.0
315.10956	0.5
321.14960	0.8
326.10229	2.2
327.11087	4.6
328.11850	3.9
334.10645	1.4
336.15942	4.5
348.12317	0.8
350.17160	0.9
352.11761	1.9
352.15628	0.8
359.09470	0.6
361.14328	0.7
376.15588	0.7
378.17108	3.0
381.16776	2.1
394.16718	0.9
396.18298	2.6
476.24380	6.7
494.25363	30.4
512.26477	100.0
513.26923	2.1
538.24518	1.2
556.25446	29.9
557.26630	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32172	1.2
66.16984	1.5
69.03427	2.7
69.82042	6.9
70.06610	2.3
71.04977	1.6
77.66148	1.3
79.05537	1.4
81.03404	2.3
85.02934	6.7
86.09718	1.9
91.05507	3.5
94.04185	2.0
97.02898	2.8
97.06509	1.8
102.70715	1.5
107.04967	1.4
109.02841	1.5
115.05455	6.2
117.06992	1.5
119.04983	1.9
122.03659	5.5
125.06052	1.3
127.03919	1.6
128.06161	2.2
129.07033	8.0
131.04947	4.4
137.05983	100.0
139.03923	4.3
143.04936	6.6
144.05708	2.2
145.06464	3.3
149.06055	1.8
151.03958	3.1
151.07545	3.2
153.05469	3.1
157.06461	7.6
160.05226	12.8
161.05997	3.7
163.07503	1.8
172.05177	3.5
174.06787	9.0
175.07558	68.1
187.07545	53.0
187.09195	2.6
189.09145	14.0
199.07591	2.5
202.07816	2.8
203.08592	4.8
205.06755	2.4
205.08566	12.4
211.07588	2.8
217.08617	15.7
219.08052	4.5
231.08086	3.7
232.08823	2.2
235.09604	10.5
239.07118	1.7
240.07797	2.8
247.07611	3.6
248.08380	6.1
251.10745	2.5
255.06587	2.0
259.07553	2.9
260.08810	1.3
261.09198	2.4
263.10760	7.2
264.07724	1.8
265.08588	2.1
270.08966	4.6
271.09653	8.4
276.07825	4.0
277.08527	1.5
278.81848	1.5
279.10098	9.6
281.08249	1.8
283.09671	2.2
290.08969	1.4
291.10132	12.3
292.10712	2.6
293.08173	3.0
296.10449	4.8
308.10440	1.7
309.11346	1.5
311.12897	14.2
313.14972	1.5
323.12769	27.6
328.11380	1.6
341.13849	50.1
346.94257	1.6
556.27490	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75028	0.6
53.90684	0.6
55.01867	1.0
56.42057	0.8
60.90001	0.8
65.03933	0.8
70.06590	1.1
70.77168	2.0
81.07079	0.8
85.02902	2.1
87.44157	0.7
91.05489	2.0
93.03420	1.6
94.04176	1.8
97.02888	0.9
103.05470	6.0
103.72937	0.8
107.04992	0.7
109.06538	1.8
111.04443	1.4
115.05463	2.4
119.04927	1.4
122.03664	3.8
125.05995	2.2
128.06242	3.5
129.07018	17.9
131.04935	16.0
131.08609	1.4
137.05980	100.0
138.06328	0.9
143.04927	3.3
144.05724	2.0
145.06381	2.1
147.04449	0.9
147.07961	1.1
149.06017	1.1
151.03947	1.8
151.07588	1.5
153.05461	5.8
157.06500	18.8
158.07321	1.6
160.05191	6.2
161.06013	3.9
163.07536	9.2
172.05188	4.0
174.06755	7.2
175.07545	36.3
177.09143	1.6
179.06950	1.2
187.07549	37.2
188.08258	0.7
189.09116	29.7
191.08559	1.0
191.27956	0.7
199.07562	1.0
202.07651	0.8
203.08525	2.8
205.08548	5.3
207.10132	3.5
211.07568	1.1
217.08588	9.5
219.08046	3.8
231.08057	4.6
233.09688	0.8
235.09662	1.3
239.07069	1.2
245.24374	0.7
247.07600	4.0
248.08298	3.8
251.10699	2.6
255.06549	1.4
259.07553	1.4
263.10638	4.2
264.08041	1.1
265.08585	1.5
270.08801	3.6
271.09604	3.6
276.07794	2.4
277.08728	1.2
279.10248	5.9
280.10968	1.3
281.07874	0.9
283.09576	1.8
289.11557	0.8
291.10135	11.2
291.13098	1.0
293.08270	1.0
296.10382	2.2
308.10480	1.5
311.12772	17.8
323.12762	16.4
329.13864	1.7
341.13849	29.0
342.14047	0.8
359.14935	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.7
55.01861	1.5
56.65424	1.4
58.95598	1.2
59.95230	1.2
61.02902	1.5
65.03939	2.5
65.99650	1.2
69.03431	2.3
70.06570	5.3
70.87225	2.7
70.87553	1.3
72.54812	1.2
74.06005	1.3
79.05481	3.4
85.02896	4.4
91.05479	17.3
94.04171	2.2
95.04942	3.3
95.25734	1.3
97.06524	5.0
103.05465	25.4
105.03389	1.9
105.07013	11.9
107.04932	2.9
109.02856	1.3
109.06516	5.1
115.05434	4.9
115.56831	1.4
117.06994	2.4
119.04135	1.4
119.04947	21.2
121.06548	1.1
122.03620	3.6
122.84806	1.2
123.08057	2.4
125.05976	2.0
126.05511	1.4
127.03922	1.7
128.06200	2.5
129.06993	8.8
129.28250	1.1
131.04932	53.2
133.02824	4.7
133.06512	9.7
137.05980	100.0
139.03935	2.0
143.04916	2.7
143.05968	1.6
144.05688	2.0
145.06404	2.1
147.04419	11.4
147.08121	1.6
149.05968	3.3
151.06387	2.4
151.07518	11.7
153.05428	4.6
157.06474	10.1
159.07990	1.6
159.60774	1.3
160.05234	4.6
161.05988	41.4
162.06703	4.6
163.07541	30.7
164.07034	2.2
165.05481	2.7
172.05249	1.6
174.06776	3.9
175.07553	31.1
177.09187	1.5
179.07042	11.8
185.05907	1.3
187.07558	28.3
189.07460	1.4
189.09119	21.5
191.08629	2.2
192.04730	4.0
193.03163	1.4
193.08572	2.4
199.07484	2.1
199.92082	1.3
203.08513	1.4
205.08647	8.3
206.06331	2.3
207.10139	2.6
211.07463	1.4
217.08546	7.7
218.07950	1.4
219.08037	4.7
222.05685	1.4
227.06897	1.3
231.08134	2.1
235.09633	3.5
247.07521	2.6
247.12073	2.3
248.08202	2.9
248.12421	2.6
250.14326	1.5
251.10855	1.7
259.07373	1.9
263.10599	3.6
270.08795	2.6
271.09705	2.7
279.10156	8.3
283.09296	1.6
291.10126	8.5
309.11237	3.9
311.12744	21.2
323.12799	15.7
329.13779	3.5
341.13831	22.1
359.15057	2.4
364.12607	1.4
382.07416	2.2
394.21982	2.2
427.17062	3.9
512.18872	4.7
538.20782	2.0
556.12659	4.2
556.20752	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	22.4
55.01879	15.5
55.05507	7.6
56.05023	4.1
57.03438	9.6
59.99102	4.4
61.02912	4.1
65.84878	2.7
67.05518	3.1
69.03433	43.8
70.06569	6.0
70.83653	5.2
70.83972	3.3
71.04999	7.2
73.02911	19.4
73.06561	18.3
79.05486	6.2
81.03429	43.4
81.62166	2.5
84.08147	6.1
85.02438	4.8
85.02916	64.5
86.06061	7.9
91.05456	4.3
93.07049	5.3
95.04961	2.9
97.02909	24.4
97.06539	7.0
98.06030	3.3
99.04462	23.9
105.06984	5.4
106.06563	99.7
109.02887	84.4
110.64896	3.2
116.07085	4.5
123.04410	4.1
127.03933	80.1
130.04889	2.7
131.08559	3.6
132.04805	93.6
133.01326	6.0
134.06017	10.2
137.06061	2.8
145.01324	5.4
145.05078	19.2
145.05966	3.7
145.06497	2.6
147.04381	3.5
157.13394	3.7
161.06020	3.1
178.08644	3.0
187.07518	3.0
188.06956	4.0
191.11819	6.0
199.02368	15.9
201.09172	2.7
207.07935	3.1
213.05527	6.1
216.09975	4.2
217.03461	45.1
235.04526	4.3
249.09276	4.1
250.10034	3.3
251.07149	3.5
255.08885	6.6
280.11078	4.1
282.11282	34.1
284.16473	3.4
289.08975	4.3
290.17578	4.7
294.02771	10.6
308.18738	3.7
309.14883	4.1
329.43170	3.1
366.08508	16.9
379.15552	3.8
381.16931	10.2
451.13831	17.9
481.71436	4.0
494.25415	29.5
512.26550	100.0
518.42865	3.8
549.61499	2.9
556.25818	37.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	10.4
53.68538	1.3
55.01872	8.7
55.09407	1.1
57.03442	6.0
57.75258	1.1
58.06586	1.8
59.04996	6.5
59.46695	1.2
61.02922	6.5
68.99783	3.6
69.03433	36.8
69.07079	1.7
69.75749	3.5
69.76153	3.3
71.04988	5.0
73.02921	8.7
79.05479	2.6
81.03421	40.3
81.07056	2.4
83.01313	1.3
85.02908	100.0
85.06538	2.1
87.00828	31.1
91.03955	2.3
95.08644	1.5
97.02895	34.1
97.03532	1.8
97.06537	1.1
99.04456	19.4
100.02204	1.9
101.07131	3.7
102.00095	1.5
102.05549	2.1
103.03963	1.5
105.01874	33.8
106.06554	32.5
109.02139	2.0
109.02880	39.9
109.10162	3.4
117.01871	3.9
118.03254	31.8
121.10137	1.8
127.03925	95.7
129.01817	6.0
134.06020	4.3
143.11813	4.4
145.04965	50.2
147.02895	5.1
159.01566	1.6
159.02899	31.6
160.04274	2.9
160.60869	1.2
161.03816	3.0
177.03923	1.8
187.06013	5.3
191.11763	2.3
203.08510	11.8
205.07166	3.3
213.03957	4.4
231.05013	39.4
249.06116	10.7
266.09515	7.3
306.11752	1.5
348.07428	4.6
357.04099	1.4
366.08688	9.5
399.05301	4.7
417.06232	3.7
429.06146	3.6
451.13892	14.8
511.46725	1.4
556.19519	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	556.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	1.7
55.01846	1.1
55.05482	0.5
57.03414	1.3
61.02901	1.0
63.86129	0.4
64.84411	0.3
65.03935	2.6
68.99764	0.3
69.00910	0.5
69.02193	0.3
69.03429	7.6
69.39162	2.8
71.04972	1.2
73.02930	1.8
73.06552	0.4
74.99803	0.4
75.00188	4.8
81.03416	7.4
81.73508	0.4
85.02904	7.3
87.00325	0.4
87.00826	4.4
87.02678	0.8
90.03748	0.6
92.05002	28.1
93.05230	0.4
93.05786	7.0
97.02406	0.3
97.02895	3.3
99.04469	2.2
105.01883	2.0
109.02885	5.9
110.03281	0.3
117.01858	0.6
124.02174	11.1
125.86264	0.4
126.03732	6.9
127.03915	7.9
129.01836	0.7
129.04784	1.1
135.05522	0.6
145.04964	2.0
147.02899	0.4
150.00020	0.4
151.03233	1.4
152.01659	2.9
159.02899	2.5
167.02768	0.7
177.01181	5.6
187.05882	0.7
194.03836	100.0
195.04175	0.8
223.08772	0.4
229.55647	0.5
231.05037	0.7
236.08525	29.1
248.08540	1.4
266.09583	39.6
285.18216	0.4
290.13248	1.0
308.14264	11.2
309.14743	0.4
361.78333	0.4
512.20654	6.7
555.58698	0.3
556.19592	28.8
557.19745	0.6
572.24884	0.3
575.45654	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81905	0.7
53.03947	6.4
55.01880	5.4
55.05503	2.1
57.03417	3.4
59.99109	8.7
61.02923	4.5
67.05470	0.9
68.99777	2.0
69.03432	21.7
71.03605	1.7
71.03947	1.4
71.04993	4.1
71.06108	3.6
71.31975	0.8
72.04516	8.4
72.08145	1.9
73.02917	6.7
73.06564	7.7
79.05479	3.7
81.03417	22.8
81.07037	1.3
83.01344	1.4
85.02907	53.8
86.09698	1.3
87.00830	16.8
88.02190	2.1
91.03948	1.4
93.07048	1.4
95.04947	1.2
95.08582	0.8
97.02896	18.6
97.06527	1.5
97.52059	0.7
99.03947	0.9
99.04472	8.6
102.00143	1.1
105.01199	1.5
105.01869	25.1
105.07051	1.5
106.06555	100.0
107.99408	1.1
109.02882	26.3
117.01851	2.9
118.03243	0.9
121.10121	2.9
124.75800	0.8
127.03918	52.1
129.01843	3.6
131.02731	6.4
131.08525	0.9
132.04794	17.2
134.06027	5.2
135.08047	1.7
143.11800	4.3
143.76859	0.9
145.04962	29.1
147.02863	3.0
149.09616	3.3
159.02885	18.6
174.00488	1.1
177.03886	2.5
177.08882	4.2
177.10260	3.0
187.06041	0.9
201.99846	0.9
203.06732	1.0
203.08485	13.9
205.07022	1.1
213.03886	2.5
231.04999	26.0
236.06351	1.1
236.08537	13.5
249.06126	7.0
255.31424	0.8
282.11197	1.0
308.18552	7.4
320.13223	1.0
380.10095	6.4
393.25925	0.9
444.23483	0.9
451.13800	20.0
476.13229	0.8
512.26453	4.0
556.18964	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03656	4.4
53.68652	3.8
55.05515	6.2
55.54065	4.4
57.03429	4.6
59.05000	18.5
61.02906	4.2
67.05505	11.1
69.03431	17.6
69.07071	16.1
71.04984	10.9
71.29900	9.9
79.05496	11.1
81.03414	12.1
81.07055	25.3
85.02899	26.9
85.06544	100.0
85.57266	4.0
87.00832	16.5
91.05477	14.4
93.07040	15.1
95.04968	6.5
95.08611	22.6
97.02895	9.7
97.06541	9.7
97.10186	4.2
99.04478	4.2
103.74916	4.7
105.01882	7.6
105.07053	16.6
106.06569	7.0
107.08595	17.7
109.02881	11.6
109.10159	27.0
111.08098	5.8
119.08585	18.0
121.10136	15.8
123.11692	14.7
125.09658	4.3
127.03925	23.2
131.07060	7.8
131.08554	7.1
133.10141	15.2
135.11729	11.4
145.04962	11.6
145.10115	8.2
147.11792	8.5
149.13242	8.7
157.10092	5.3
159.02875	6.1
159.11693	9.3
161.13327	12.8
163.14745	8.5
173.13266	7.7
175.14859	6.1
203.18007	8.0
215.18092	7.6
229.19533	10.1
249.22169	5.0
271.24207	15.0
276.83362	3.9
289.25211	31.5
307.26450	16.4
412.99600	4.5
475.31107	5.3
477.55630	4.1
501.28189	5.3
555.22656	5.3
555.31543	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	555.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70260	3.1
53.03942	11.6
53.64300	3.5
55.01862	11.4
55.05511	28.3
57.03438	11.7
57.07074	14.0
61.02924	7.4
65.03932	4.4
65.61485	2.7
67.05508	45.5
68.99798	6.5
69.03435	51.5
69.07069	37.5
70.06567	3.1
70.10315	8.2
71.04994	13.8
71.08629	3.0
73.02920	5.2
75.45480	3.3
79.05492	29.7
81.03418	60.8
81.07060	100.0
81.41150	3.2
82.38697	3.3
83.04975	15.4
83.08642	21.7
85.02911	81.9
85.06551	53.2
85.10214	4.4
87.00848	28.2
87.04469	3.5
91.03984	3.3
91.05478	29.3
93.03384	4.4
93.07052	55.3
95.04964	9.5
95.08616	91.5
97.02904	26.6
97.06535	17.6
97.10179	13.5
99.04465	17.7
99.08077	4.0
100.11288	7.0
105.01888	23.4
105.07031	38.6
106.06561	19.8
106.64087	3.3
107.04975	4.4
107.08610	45.7
109.02898	38.5
109.06512	3.7
109.10163	92.5
111.04455	28.0
111.08071	10.9
111.11694	4.9
114.89503	3.3
117.01851	4.7
117.07034	7.5
119.08598	34.1
121.06509	6.7
121.10152	60.6
122.09660	3.6
123.04426	5.1
123.08035	4.4
123.11709	29.2
127.03922	61.3
127.11189	4.4
129.01854	8.4
129.07063	5.1
131.08583	11.3
133.10132	32.6
135.08127	4.2
135.11710	29.9
137.06000	9.3
137.09636	6.8
137.13307	7.0
141.37491	3.6
143.08559	5.9
145.04984	17.5
145.06532	3.2
145.10120	18.8
147.11658	19.3
149.09660	4.3
149.13312	31.1
151.11263	4.9
151.14847	8.3
157.10124	6.6
159.02921	15.6
159.11676	20.3
161.05904	4.1
161.09549	4.4
161.13295	18.9
163.14819	12.6
171.11690	4.5
173.13321	10.6
175.14828	11.2
177.05557	3.8
177.16414	8.3
182.15408	4.2
187.07523	3.5
187.14844	7.8
189.16418	12.0
191.17999	3.6
197.04536	3.9
197.13274	3.2
201.16394	7.4
213.03922	5.1
215.17912	8.0
217.09845	4.6
217.19452	4.1
229.19527	5.4
231.05022	13.8
231.21103	6.2
233.18993	3.4
259.24228	6.6
267.98337	3.5
271.24329	23.2
277.25162	4.0
287.23682	5.6
289.25278	51.0
305.24765	7.9
307.26297	24.5
329.24741	3.7
416.57791	4.0
433.29071	4.4
511.24994	8.4
537.30688	6.7
555.24188	23.1
555.32312	5.1
555.40393	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.2
55.01875	6.3
55.05502	4.4
57.03422	4.6
57.07054	1.6
61.02919	4.1
65.03947	1.3
67.05511	9.6
68.99801	2.3
69.03432	39.3
69.07064	9.5
70.90987	3.1
71.05004	6.0
73.02927	5.7
79.05508	6.0
80.61637	1.0
81.03424	30.6
81.07059	15.3
83.04976	1.8
83.08621	5.1
85.02910	50.8
85.06547	100.0
87.00835	22.4
87.04473	6.7
88.39143	1.1
91.03954	1.3
91.05487	8.6
93.07044	18.9
94.94759	1.3
95.04979	2.1
95.08617	16.4
95.17887	1.1
97.02905	15.8
97.06523	4.4
97.10177	2.5
99.04456	11.7
99.08073	2.0
103.07588	3.0
105.01871	10.9
105.07060	8.1
107.08600	29.8
109.02895	31.0
109.10156	20.4
111.08101	4.3
115.03945	1.4
117.06984	1.6
119.08571	5.0
121.10154	15.4
123.08109	1.2
123.11690	8.7
125.09660	1.7
125.36273	1.1
127.03924	47.3
129.01837	3.6
129.06934	1.5
131.08524	1.5
133.10085	5.5
135.11676	10.7
137.13228	3.5
145.04967	15.4
145.10146	3.6
147.02884	3.1
147.11711	4.1
149.13281	16.8
159.02907	17.3
159.11723	4.5
161.13269	3.1
163.03894	1.4
163.14841	4.5
167.50774	1.2
173.13214	3.0
175.14801	2.6
177.16412	2.6
187.14830	2.3
188.19258	1.3
189.03906	1.1
189.16396	2.4
191.18008	1.4
203.17879	2.1
205.19571	17.0
213.03906	2.5
215.17967	3.6
217.19586	2.1
229.19553	1.8
231.05028	11.3
231.21179	1.5
233.19012	1.5
235.20462	1.9
245.22646	2.3
247.20575	9.3
249.22169	1.7
271.24246	10.6
289.25269	29.2
301.21646	1.1
307.26334	61.6
315.98114	1.1
555.24500	1.4
555.31818	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	554.4628
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25500	0.7
52.68366	0.7
55.05523	3.5
57.07079	32.4
58.49730	0.6
59.05005	1.2
64.10173	0.6
67.05496	1.8
69.07074	6.7
71.08635	29.8
71.49448	0.6
71.49820	0.8
71.94766	0.6
73.06552	6.9
77.29945	0.6
79.05486	1.2
81.07063	3.0
83.04964	0.6
83.08621	5.3
85.10188	18.9
87.04479	4.0
89.06034	100.0
91.05505	2.4
91.07619	1.0
92.05849	0.8
93.07043	2.3
94.07380	0.6
95.08628	1.7
97.10184	5.7
99.11744	2.9
105.07034	1.5
107.07057	1.7
107.08627	1.4
107.19000	0.6
109.10179	1.6
110.80451	0.6
111.11719	2.9
113.13258	1.4
117.07010	0.7
117.09138	5.3
119.08583	1.2
121.10133	1.3
125.13255	1.2
127.14835	2.1
130.08649	2.3
131.07077	1.1
131.08594	1.1
133.08606	50.8
135.10165	0.9
141.16400	1.9
145.10107	0.9
155.08461	0.6
155.17978	1.2
155.30157	0.6
175.09688	0.7
177.11232	17.9
191.68175	0.6
195.12245	0.8
211.24234	1.4
212.47734	0.7
221.13742	3.9
239.14824	1.7
255.26886	1.5
283.17593	2.0
299.29449	4.5
327.20081	9.4
343.32083	2.6
493.40656	1.2
514.75110	0.7
537.43707	8.9
554.40674	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	10.9
55.01877	10.6
55.05519	12.7
55.08477	2.1
57.03438	10.8
57.07069	6.6
59.04972	2.1
61.02919	7.4
67.05508	30.7
68.99788	6.0
69.03436	52.3
69.07066	17.8
71.04993	13.8
73.02921	10.6
78.47907	2.0
79.05496	13.0
81.03422	54.2
81.07063	30.2
83.08624	8.0
85.02911	100.0
85.06549	93.1
87.00834	41.7
87.08104	4.3
91.05488	8.3
93.07037	23.5
95.04958	3.6
95.08619	25.2
97.02313	2.4
97.02902	32.8
97.06528	7.5
98.20750	6.1
99.04461	19.6
99.08098	3.5
103.03895	2.3
103.18294	1.9
105.01875	27.6
105.07038	15.5
106.06554	10.0
107.08599	23.3
109.02885	45.1
109.06474	2.3
109.10165	99.2
111.08071	4.2
117.01889	4.8
118.03249	6.8
119.08577	22.5
121.06482	3.4
121.10156	66.6
123.11718	30.7
127.03923	95.0
129.01822	7.1
129.06969	2.3
131.08554	8.7
133.10127	22.2
135.11681	10.9
137.13275	3.6
145.04964	29.1
145.10129	8.2
147.02890	4.1
147.11674	17.4
147.21991	2.1
149.13263	15.3
159.02913	25.5
159.11719	36.6
161.13272	16.8
163.14867	6.9
167.14357	3.3
173.13289	21.7
175.14775	4.4
177.12775	2.5
177.16386	6.6
179.14287	3.2
181.15921	3.4
185.15359	3.5
187.14801	7.2
189.03862	2.5
189.16389	19.4
191.14258	4.3
201.16440	3.4
203.17883	3.8
205.19611	2.1
207.17546	14.3
211.14874	2.5
213.04047	5.5
215.17963	21.7
229.19566	4.2
229.25571	2.5
231.05054	25.5
231.21085	5.7
233.19011	4.1
238.35526	2.4
245.22763	2.6
249.05986	2.4
266.09586	2.6
271.24310	12.7
289.25296	33.6
294.75525	2.1
307.26361	22.1
399.05466	3.0
468.21530	2.3
555.24286	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	554.4421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.3
55.01875	1.3
55.05514	7.4
57.07059	4.8
59.04996	1.3
59.24107	1.0
65.03947	2.5
67.05510	64.5
69.07076	8.5
71.04978	1.7
71.08634	2.2
73.02897	1.4
79.05502	33.5
81.07061	88.8
83.08633	9.4
85.06532	3.4
85.10180	1.5
87.04472	2.9
89.06030	5.4
91.05482	11.8
93.07050	38.4
95.04946	1.4
95.08611	62.2
95.50975	1.1
97.06541	1.9
97.10176	5.7
98.20786	2.4
99.08102	19.4
103.05459	3.7
105.07042	60.2
106.07365	2.1
107.08601	23.7
109.10165	31.6
111.08073	2.6
119.08555	6.3
121.10153	100.0
123.11715	74.9
125.09619	3.5
131.08554	4.4
133.08621	1.5
133.10136	8.3
135.10707	2.1
135.11705	32.7
135.12721	2.1
137.13217	1.6
139.11133	1.5
145.10132	3.5
147.11691	9.3
149.13268	3.7
157.10107	1.2
159.20721	1.1
161.13254	4.0
165.77837	1.2
175.14842	1.7
194.25934	1.0
203.17975	22.5
213.16408	4.6
217.19492	3.4
221.19020	78.1
222.19478	1.5
231.17456	5.1
235.20593	11.4
249.18518	27.7
253.21591	3.0
255.23120	2.2
267.19586	42.0
268.20105	1.2
285.20572	7.4
384.34268	1.2
465.10147	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66906	1.0
53.03945	2.0
55.05505	0.9
59.05001	2.8
66.56297	0.9
67.05511	1.4
69.07068	1.7
71.49539	1.1
73.00363	0.9
79.05497	6.5
81.07050	1.2
87.04472	11.5
87.42413	1.0
89.06043	7.1
91.05481	3.7
93.07053	4.4
95.04985	1.4
95.08598	1.5
100.77117	0.9
103.03947	27.6
103.05434	4.9
105.07036	100.0
107.08574	1.7
117.07051	1.6
119.08598	2.9
121.06512	11.8
129.07010	1.4
131.07033	2.9
131.08560	2.1
133.06474	2.0
133.08597	2.2
133.10162	1.2
135.08028	6.5
147.06537	3.0
147.08076	6.4
149.09641	2.3
155.01060	2.5
165.09109	2.2
175.53053	1.2
177.09143	3.0
177.11342	1.1
177.53465	0.8
179.10703	1.8
180.34952	1.0
191.09099	2.0
197.11751	8.6
198.91707	0.8
207.12132	1.1
209.11702	1.2
209.13402	1.2
215.40950	0.8
225.12758	2.3
235.11742	2.8
251.14546	1.0
265.14337	4.8
283.15302	5.1
313.27335	1.7
329.15982	21.5
329.19629	2.0
388.17868	1.2
411.14551	1.1
425.15967	1.6
426.16840	2.0
439.13846	1.4
440.18430	1.3
441.19217	3.8
453.15521	4.0
468.18066	1.6
555.22400	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	554.3408
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.8
55.01887	3.5
55.05510	26.1
55.52134	3.1
57.07057	9.1
59.99116	3.9
63.14177	2.9
65.03934	4.5
67.05505	70.3
69.07061	13.1
70.06621	3.5
71.04974	4.1
71.49790	5.5
74.43166	3.2
79.05494	84.9
81.06592	5.1
81.07055	70.5
83.04972	3.6
83.08606	11.1
85.06552	4.7
87.04447	3.3
88.19561	2.8
89.06035	5.4
91.05486	39.4
93.06490	5.3
93.07048	100.0
93.07639	4.7
93.67885	3.2
95.04956	6.9
95.08614	59.7
97.06514	5.6
97.10149	4.9
99.08083	5.5
105.07030	31.4
106.06544	29.5
107.08591	39.3
109.10155	33.1
111.08057	4.8
114.03751	6.6
116.07108	5.0
116.08234	4.6
116.10793	4.3
117.07037	16.4
119.08600	21.4
121.09333	6.3
121.10142	69.2
123.11694	20.3
125.09631	4.6
131.08604	22.1
132.04759	9.5
133.10136	25.6
135.07980	3.5
135.11685	35.8
137.13235	6.1
144.96129	4.2
145.10158	21.3
147.11685	15.0
149.09631	4.5
149.13257	21.0
159.11716	19.6
159.56403	3.6
163.11168	5.3
173.13268	15.9
175.14757	4.4
177.12697	6.9
187.14853	7.9
189.16342	3.7
191.17883	4.6
205.19539	4.4
208.05347	3.8
215.17963	49.5
219.29611	2.8
233.19009	62.3
249.18549	6.1
292.17307	12.4
305.24731	34.8
364.23050	28.8
439.35696	3.6
449.28271	13.9
513.17352	4.0
516.72827	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	554.235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.4
55.01870	0.6
55.05504	2.3
58.06602	38.6
58.44716	0.5
66.18304	0.6
69.03420	1.5
70.26721	2.5
72.08141	2.2
73.04032	4.7
73.06555	2.5
73.92330	0.6
78.04715	0.9
79.05501	2.6
81.03413	2.7
85.02898	4.5
87.00821	1.5
95.04955	0.9
97.02892	2.1
105.01868	0.6
106.06555	100.0
109.02890	1.5
111.90227	0.6
115.08704	3.0
116.07090	9.5
120.04480	1.0
122.26524	0.5
127.03928	2.9
127.08676	1.3
134.06017	15.8
145.04968	1.5
149.07077	1.1
159.02907	0.7
169.13350	0.7
175.05078	0.6
191.11804	9.5
192.07687	10.2
222.68336	0.6
234.12381	48.6
288.17072	1.0
291.75836	0.6
306.18134	62.3
307.18216	0.8
327.32587	0.8
353.73648	0.7
396.08087	0.6
520.53192	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66906	1.0
53.03945	2.0
55.05505	0.9
59.05001	2.8
66.56297	0.9
67.05511	1.4
69.07068	1.7
71.49539	1.1
73.00363	0.9
79.05497	6.5
81.07050	1.2
87.04472	11.5
87.42413	1.0
89.06043	7.1
91.05481	3.7
93.07053	4.4
95.04985	1.4
95.08598	1.5
100.77117	0.9
103.03947	27.6
103.05434	4.9
105.07036	100.0
107.08574	1.7
117.07051	1.6
119.08598	2.9
121.06512	11.8
129.07010	1.4
131.07033	2.9
131.08560	2.1
133.06474	2.0
133.08597	2.2
133.10162	1.2
135.08028	6.5
147.06537	3.0
147.08076	6.4
149.09641	2.3
155.01060	2.5
165.09109	2.2
175.53053	1.2
177.09143	3.0
177.11342	1.1
177.53465	0.8
179.10703	1.8
180.34952	1.0
191.09099	2.0
197.11751	8.6
198.91707	0.8
207.12132	1.1
209.11702	1.2
209.13402	1.2
215.40950	0.8
225.12758	2.3
235.11742	2.8
251.14546	1.0
265.14337	4.8
283.15302	5.1
313.27335	1.7
329.15982	21.5
329.19629	2.0
388.17868	1.2
411.14551	1.1
425.15967	1.6
426.16840	2.0
439.13846	1.4
440.18430	1.3
441.19217	3.8
453.15521	4.0
468.18066	1.6
555.22400	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	554.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.6
53.03951	4.0
53.31947	0.4
55.01876	1.2
55.05513	3.4
56.53961	0.5
57.03439	0.5
57.05805	0.5
58.06603	13.7
60.75766	0.5
61.02925	0.5
66.56455	0.5
69.03434	3.7
71.05002	0.5
71.48660	0.6
72.08161	6.9
73.02913	1.1
73.04027	2.3
73.06555	2.7
79.05488	3.6
81.03427	4.7
81.07073	1.0
81.23275	0.4
85.02917	6.8
86.02393	0.6
87.00823	3.8
87.52637	0.5
91.05488	0.8
95.04974	1.7
97.02892	6.1
97.06540	0.5
99.04469	2.1
103.11534	0.4
105.01867	2.6
105.04505	1.0
106.06559	100.0
107.06899	0.5
109.02877	6.7
115.08698	1.6
116.07099	44.2
127.03925	7.6
129.01849	0.5
134.06030	5.7
145.04987	2.8
157.13387	0.5
158.08182	0.4
159.02942	1.5
161.05971	0.5
163.64734	0.5
191.11830	4.0
192.07715	4.4
231.05089	1.9
234.12372	24.8
242.97935	0.5
261.28833	0.5
288.16992	0.6
306.18121	25.2
307.18567	0.5
320.13629	0.6
366.95465	0.5
468.26270	0.6
527.34814	0.7
554.26697	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.8
55.01865	1.1
57.11068	0.8
61.02932	1.0
63.13885	0.8
67.05499	0.8
68.59173	0.7
69.03419	2.3
69.07073	1.0
70.06591	1.5
71.23013	1.4
71.55802	0.8
79.05484	1.3
81.03416	1.3
81.07053	1.3
85.02901	6.4
91.05455	1.7
93.07044	1.8
94.04181	0.8
95.08549	0.9
97.02884	2.5
97.06507	1.0
105.07017	1.2
107.04956	0.9
109.06553	0.9
109.10145	0.9
121.06509	1.8
122.03665	1.7
127.03926	1.8
131.04924	1.2
133.10130	1.2
135.04491	0.7
137.05989	32.1
140.68405	0.7
143.04936	2.5
145.05019	1.5
145.06453	0.8
149.06018	3.6
151.03981	1.0
153.05490	4.1
160.05128	0.9
160.17754	0.7
161.06000	17.1
163.07552	1.8
165.06941	3.8
175.07570	5.6
179.07037	1.6
179.08527	1.3
182.07272	1.5
182.19043	1.1
188.04718	4.0
191.07011	1.8
193.06509	5.4
197.09650	1.8
203.07027	10.1
205.08620	1.9
207.07994	2.4
210.06779	4.8
211.07521	0.8
221.06018	13.3
221.08017	1.6
224.08305	2.2
225.09105	17.3
225.11176	1.3
227.07080	1.4
233.08031	0.9
235.07678	2.7
235.17084	0.9
237.05423	1.2
237.09172	1.4
238.06293	4.2
239.07021	1.3
239.10651	2.5
242.09369	1.0
249.09085	2.4
251.07109	1.6
252.07828	2.6
253.08630	35.0
254.09404	1.6
255.06514	2.0
265.08600	1.8
266.09427	1.2
267.10178	12.1
268.10458	0.8
270.08884	4.4
277.08383	4.9
280.07126	1.1
285.11218	85.7
286.11768	1.1
294.08783	1.8
295.09674	6.1
297.11221	6.3
300.10629	1.6
309.11282	11.3
312.09915	1.1
325.10483	1.4
327.12283	100.0
328.12482	2.2
339.12292	1.0
345.13339	83.8
346.13635	1.3
357.13336	5.6
396.00223	0.8
437.48718	0.7
441.23090	0.9
472.23456	0.9
491.28796	1.0
510.24817	1.2
511.66034	0.8
536.11011	1.0
553.43158	1.0
554.21143	3.2
554.29083	1.3
554.43542	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	553.301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.3
55.01865	2.1
55.05507	5.4
57.03423	2.3
65.28841	1.4
67.05511	9.6
69.03439	15.5
69.07065	9.3
70.69355	1.6
70.93769	3.9
71.04992	8.4
71.79226	1.6
79.05487	7.2
81.03420	17.5
81.07055	19.0
83.08608	4.5
85.02914	22.4
85.06548	37.2
87.00826	7.9
91.05478	6.2
93.07069	10.7
94.06584	3.1
95.04951	2.5
95.08620	17.4
97.02888	6.8
97.06538	4.8
99.04456	4.8
99.08109	2.9
105.01870	4.5
105.07044	14.5
106.06560	100.0
107.08589	17.4
109.02887	13.1
109.06538	1.7
109.10159	21.5
117.01891	2.0
117.07029	3.5
119.08577	17.4
121.10143	16.6
123.08106	2.3
123.11715	5.5
125.09644	5.0
127.03945	22.6
127.11217	2.7
127.27288	1.4
129.01842	1.8
129.06953	2.3
131.08621	3.6
133.10182	9.3
135.11673	7.5
137.09636	2.5
137.13319	1.8
139.11188	6.2
143.08565	4.0
145.04984	3.7
145.10124	8.2
147.11708	9.8
147.15189	1.5
149.13252	3.3
153.12735	1.9
157.10124	4.5
159.02861	3.9
159.11685	14.0
161.13239	8.0
163.03935	2.0
163.14835	7.2
166.21593	1.6
171.11642	3.9
173.13289	13.0
175.14862	5.2
178.22383	1.5
179.11783	4.7
185.13173	2.5
187.14835	8.6
189.16473	1.8
199.14850	4.1
201.16429	4.6
203.17928	1.5
213.03885	3.8
213.16328	4.6
215.14282	1.8
215.17905	2.2
219.17476	3.9
222.84877	1.8
227.17918	4.3
229.19537	15.5
231.04977	4.1
231.17433	2.3
247.20633	3.9
260.10043	1.7
269.22659	16.6
287.23743	25.5
305.24738	14.7
323.25858	3.4
337.21683	1.9
342.10916	2.0
374.07574	1.7
395.25873	2.3
408.39117	1.9
548.47125	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06604	1.7
61.02932	1.1
67.98702	1.0
69.03426	3.4
70.52455	1.4
70.52776	2.2
72.08150	1.3
73.02955	1.0
79.05470	1.4
81.03421	2.2
85.02912	9.0
91.05497	2.3
97.02895	3.6
98.21372	1.0
103.05459	1.4
106.06564	14.6
107.04956	1.5
109.02859	1.7
116.07089	6.4
121.06503	1.3
125.06020	1.1
127.03905	2.5
131.04935	1.5
137.05988	23.1
143.04921	1.8
145.04982	1.5
145.61230	1.0
146.03629	1.0
149.05972	4.3
153.05472	2.4
161.05992	18.6
163.07530	3.5
165.07028	3.5
175.07562	7.3
177.05484	1.2
179.07089	1.6
179.08557	1.5
180.08630	1.1
182.07260	1.3
188.04695	4.0
191.07053	3.3
193.06551	8.5
194.07126	1.1
195.08154	1.2
197.09663	2.3
203.07040	11.6
205.08691	2.2
207.08034	3.4
210.06725	3.9
221.05992	15.0
221.08044	2.0
222.06738	1.4
224.08427	3.8
225.09106	20.1
233.08092	1.2
234.12450	3.8
235.07581	2.9
235.09683	3.2
238.06281	6.4
239.06888	1.8
239.10753	2.7
249.09120	3.0
252.07921	2.6
253.08624	35.5
254.09311	2.2
255.06483	2.9
255.12260	1.8
257.07837	1.3
267.10220	14.6
270.08862	4.0
277.08594	7.2
280.07297	1.1
285.11230	93.1
294.08899	3.5
295.09711	6.3
297.11279	6.8
306.18100	4.5
309.11191	13.1
312.09686	1.1
327.12289	90.1
345.13348	100.0
346.13922	1.7
357.13113	4.8
510.24561	1.9
511.17847	1.5
536.20935	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	553.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28762	4.3
53.03942	14.3
55.01874	6.6
55.05515	12.2
57.03431	8.5
57.07079	5.6
58.45860	4.2
61.02914	11.0
67.05500	16.1
69.03430	53.6
69.07076	30.4
69.40141	36.2
71.04982	19.3
71.08667	5.3
79.05482	14.6
81.03427	41.3
81.07054	29.1
83.05000	5.0
83.08607	10.6
85.02907	79.0
85.06548	91.0
87.00835	35.2
91.05475	10.5
93.07038	31.8
95.08617	39.5
96.04482	26.5
97.02895	28.1
97.06572	6.3
99.04459	20.5
105.01857	25.2
105.07034	39.6
107.08614	32.2
109.02884	49.5
109.10165	62.5
109.34447	4.8
112.03976	32.0
119.08581	52.6
121.10144	84.1
123.11686	14.9
125.09626	8.7
127.03924	82.8
131.08568	17.1
133.10136	45.1
135.11697	20.6
136.07602	99.3
136.98611	4.7
143.08484	11.2
145.04945	13.5
145.10118	22.4
147.11678	27.0
149.13274	9.2
152.07074	78.9
157.10112	13.2
159.02902	11.2
159.11739	38.1
161.13268	38.2
163.11186	5.8
171.11752	13.3
173.13271	75.2
175.14798	15.8
177.16481	6.2
179.14354	8.9
183.13783	8.1
185.13289	7.8
187.14803	15.1
191.58673	5.6
194.11867	8.8
199.14885	10.6
201.16389	17.3
203.17970	11.7
213.16380	11.9
217.15836	7.7
227.17899	8.1
228.45418	5.3
229.19524	29.4
231.04912	11.7
231.17450	11.7
247.20586	15.5
269.22708	35.2
271.24106	8.5
287.23715	100.0
303.19614	5.5
305.24783	58.0
346.17929	5.5
390.18137	5.5
467.24716	8.4
499.26764	6.4
509.26465	23.1
517.24384	6.7
553.25342	63.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75511	0.6
51.56555	0.4
57.67181	0.5
57.86324	0.5
65.82001	0.4
67.05505	1.3
67.52793	0.5
69.03432	0.8
69.07060	0.6
71.62634	0.4
73.14186	0.4
79.05514	0.9
80.18149	0.5
81.03421	1.4
81.07085	1.4
85.02888	0.6
91.05489	0.8
93.07043	0.6
94.65836	0.5
107.08568	0.6
109.02919	0.6
109.10201	1.6
119.08619	0.6
121.10095	0.9
127.03919	1.8
133.10095	0.7
234.42133	0.6
287.23972	0.6
305.20999	4.6
305.24478	0.7
319.54950	0.5
333.20554	1.4
335.29434	0.5
449.24963	0.9
458.47736	0.5
467.26230	13.5
509.27243	25.2
510.27524	0.7
553.26233	100.0
554.26257	2.5
573.75995	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24416	1.7
55.01857	1.5
65.03934	2.1
67.05494	2.9
69.03426	1.8
71.08208	3.1
77.88408	1.6
79.05504	4.9
81.03417	3.4
81.07044	3.0
85.02898	2.9
85.06526	2.4
91.05482	7.4
93.07053	3.5
94.04173	4.0
95.08615	5.2
97.02869	2.5
97.06498	2.1
99.04472	2.8
103.05473	4.2
105.07018	5.2
107.04955	6.1
107.08603	2.0
109.02895	3.1
109.06531	1.6
109.10163	3.2
115.05447	2.2
117.81265	2.0
119.04951	2.8
119.08553	2.4
120.05675	2.3
121.06496	6.0
122.03696	8.5
122.97437	1.9
127.03953	2.2
131.04924	5.3
135.04413	2.6
135.08023	6.3
135.11708	1.8
135.76558	1.7
137.05986	100.0
143.08527	1.8
145.67369	1.6
146.03755	2.3
147.04413	3.5
149.05974	8.1
151.03958	1.6
151.07541	5.4
153.07066	2.7
159.11714	2.7
161.05986	45.5
163.07573	16.5
165.07027	4.4
167.07013	4.8
175.07585	7.3
179.07071	5.8
179.08508	2.5
181.06512	2.4
185.05986	3.4
188.04715	2.7
191.07082	21.7
191.08632	3.0
193.06601	4.1
194.07309	7.6
195.08105	3.6
203.07042	16.1
205.06534	5.0
205.08615	5.0
209.06110	2.6
209.08067	34.3
209.09767	2.4
210.06787	3.2
211.07642	3.6
213.09280	2.2
215.06984	2.7
219.07991	2.6
221.06007	5.9
222.06790	6.0
223.07556	4.6
225.09079	3.9
227.06870	2.1
229.06366	2.2
233.05983	3.5
233.08099	4.7
234.06757	5.8
235.07672	3.6
237.09093	9.0
239.07199	2.4
240.07825	2.6
245.03642	1.8
245.06055	2.6
247.07660	2.6
249.09106	14.7
251.07048	4.3
253.08600	6.1
255.06354	2.1
255.10289	2.7
264.07840	2.5
265.08621	23.9
267.10199	4.4
268.07236	3.6
268.12607	2.0
269.08182	8.5
270.08945	2.7
271.09860	4.1
276.07776	2.9
277.08600	21.1
279.10208	2.0
281.08136	2.6
282.08960	2.9
283.09692	8.1
284.10419	4.8
285.11130	7.5
287.23831	2.6
294.08752	3.6
295.09662	6.3
296.10699	2.2
297.11206	26.2
303.09921	2.8
305.08649	1.7
305.14099	2.2
306.08789	2.8
307.09549	5.3
308.10437	2.0
309.11218	24.2
315.12210	15.3
319.09698	4.6
321.11169	7.4
325.10709	2.6
327.12268	7.6
331.11694	4.0
333.11221	5.1
339.12198	3.5
351.12277	57.6
357.13400	2.7
363.12213	7.8
369.13394	23.6
381.13409	14.3
445.16653	3.5
455.14932	2.8
475.17517	21.5
487.17377	5.8
493.18463	7.0
505.11185	2.7
505.18478	21.9
523.19806	5.0
553.23969	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.0572
Annotation	Unknow
Peak:m/z	Relative Intensity
67.28223	1.3
70.13213	1.2
71.48175	1.3
74.52048	1.1
94.93009	6.6
112.89620	12.8
114.89350	1.7
136.94069	2.0
143.08423	1.3
168.92149	5.5
186.93230	2.8
206.88580	1.9
210.89641	6.3
210.94075	100.0
210.99771	3.0
228.94194	8.3
246.95288	2.4
248.89656	9.2
270.81635	1.7
270.95279	7.6
300.96329	2.4
322.82965	6.9
330.97397	2.2
372.98276	1.5
381.07935	14.5
413.05215	1.4
419.03632	4.0
496.63287	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.162
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06644	2.6
71.27801	3.9
77.00928	2.9
81.07063	6.4
82.99863	4.9
88.61805	2.3
95.61916	2.3
101.00891	51.5
105.91780	2.8
107.10994	2.3
113.00888	9.6
119.01933	76.2
127.02442	5.7
131.01888	13.7
133.03542	2.4
137.02931	3.3
143.01907	34.7
145.03494	15.0
149.04538	3.2
155.01904	19.7
157.03493	7.1
161.02960	24.9
165.04015	3.3
167.01912	15.2
167.05548	8.5
169.03497	7.2
173.02983	27.1
179.01956	8.7
183.05049	10.2
185.02966	53.9
185.06567	23.7
187.04568	4.0
193.03488	8.5
197.02959	17.2
201.06146	7.9
203.04079	12.5
203.05664	1.9
203.05991	1.9
203.07675	15.9
207.05078	2.2
209.06555	11.6
210.94102	16.7
211.04514	44.9
215.04099	9.1
219.94470	2.5
221.05089	3.3
225.06047	11.8
227.04056	11.0
227.07655	57.0
229.05614	42.7
229.07719	4.3
239.04102	2.6
245.05089	98.2
245.08841	4.5
247.06802	3.0
251.07695	4.0
253.05603	56.7
257.05087	6.9
263.06226	8.3
265.05618	3.7
269.08694	7.2
271.06635	100.0
275.06177	8.7
283.06671	7.1
293.07376	3.7
295.06662	4.4
301.07642	13.5
305.07208	8.1
311.09772	15.2
313.07654	19.4
329.10925	6.2
329.40042	2.5
331.08740	29.7
335.08008	3.3
355.08801	31.4
365.09390	8.2
373.09778	50.3
391.10873	81.3
392.86145	2.5
450.09985	2.5
535.14954	5.5
553.08734	3.0
553.16180	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	552.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.0
54.58351	0.8
55.05511	5.6
56.05025	3.8
56.38770	0.8
57.07074	3.5
58.06591	1.3
60.04513	2.5
67.05506	12.3
69.07064	7.5
70.06582	1.4
71.08624	1.8
71.49599	1.2
79.05494	10.5
80.05019	3.3
81.05790	1.7
81.07045	11.5
82.06580	5.4
83.08625	5.1
85.10138	1.0
91.05499	10.4
93.07048	9.4
94.06574	17.3
94.07137	1.5
95.07352	8.0
95.08618	9.2
96.08142	4.0
97.10143	2.1
105.07040	6.0
107.08578	6.1
108.08118	3.8
109.10159	4.2
114.87342	1.0
119.08579	4.6
119.31574	0.9
121.10121	5.9
122.09679	3.0
123.11838	0.9
133.10143	2.9
135.11714	2.5
219.20934	1.0
233.22707	3.7
245.22629	3.4
248.73958	1.0
250.25291	9.8
262.25305	100.0
272.25873	5.7
280.26346	9.7
369.82034	1.0
425.49667	1.0
504.47662	3.4
516.47754	10.3
533.98901	0.9
534.48694	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	552.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.6
55.01875	0.8
55.05515	14.6
57.07074	0.8
58.06593	0.3
64.37260	0.3
67.05503	1.1
69.03435	0.8
69.07070	1.6
69.46430	2.2
70.06582	1.5
72.08144	0.3
79.05502	0.9
81.03417	0.4
81.07066	1.1
82.06577	2.8
83.04997	1.9
83.08627	11.5
84.04532	0.6
84.08164	1.4
85.02901	1.0
85.06536	0.9
87.00813	0.4
91.05473	0.9
94.06581	0.6
96.08115	0.3
97.02907	0.5
97.06549	1.4
98.09677	1.5
100.07626	5.1
100.11263	66.3
105.07065	0.5
107.08640	0.3
109.02957	0.4
109.06557	0.5
110.06070	1.8
111.04450	8.1
112.07610	2.3
112.11252	0.9
114.09180	0.6
117.07031	1.8
117.13920	1.0
119.08601	0.7
120.08116	0.4
126.09187	1.9
127.03903	0.7
127.08706	1.2
128.06230	0.2
128.07082	5.7
128.10724	0.7
129.05478	0.5
131.08617	0.5
133.06436	0.3
133.10132	0.5
137.05986	1.0
139.08675	2.0
140.07086	2.7
142.08679	0.7
143.08603	0.9
145.06493	0.7
147.04463	0.4
147.11685	0.6
149.13211	0.5
154.12311	0.6
155.08577	0.5
156.10254	0.4
164.14375	0.8
168.13875	0.9
171.08067	1.3
173.06055	0.6
175.11276	0.3
182.15417	27.9
182.19026	1.1
186.09218	0.4
192.13866	1.0
195.11652	0.5
197.13263	0.3
199.21715	0.6
208.78319	0.3
209.16515	12.7
210.14911	22.0
214.08653	9.8
215.09169	0.3
223.11288	0.4
226.19102	2.1
227.17531	2.8
228.16144	0.8
240.13937	0.6
268.13327	8.0
277.08591	0.3
286.14398	23.9
287.14700	0.5
289.07645	0.3
302.17474	0.5
304.15451	5.8
305.08118	0.4
306.46982	0.3
308.27051	0.7
309.25507	0.8
309.94342	0.3
317.11926	0.5
326.28091	4.1
335.12787	0.5
336.22943	0.9
343.30682	3.9
349.14499	0.4
362.02786	0.3
368.25229	0.3
382.27185	0.4
418.13058	0.5
431.18665	0.5
435.33417	0.8
436.31885	0.9
448.21411	0.5
453.34351	1.8
456.33243	0.3
473.20370	0.4
508.23480	0.8
534.44019	2.2
551.46948	0.5
552.44934	100.0
553.45129	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73178	0.3
53.03942	1.7
53.64026	0.3
55.01883	0.8
55.90887	0.4
57.03425	1.0
57.64453	0.4
61.02919	0.9
67.05495	1.4
68.99788	0.6
69.03427	6.8
70.55724	0.4
71.04984	0.8
73.02927	1.0
79.05481	1.7
81.03421	7.1
81.07061	2.4
85.02907	16.8
87.00832	5.6
88.07597	0.7
91.03922	0.4
91.05457	1.1
93.07041	0.7
94.06563	1.1
95.47556	0.4
96.08111	1.3
97.02894	3.8
97.06522	0.6
99.04457	3.1
105.01867	2.8
105.07032	1.6
106.08645	0.7
107.04951	0.9
109.02873	5.8
109.06493	0.8
115.05476	1.3
117.01855	0.5
117.07023	9.9
119.08575	1.6
122.06052	1.9
124.07595	0.9
127.03917	11.3
128.06186	0.9
129.01852	0.8
129.06969	1.1
131.08536	1.5
133.06505	6.7
134.05991	0.6
140.07076	2.1
143.08556	4.3
145.05005	3.3
145.06459	2.6
147.02890	0.7
147.11783	0.5
155.08553	3.3
158.09607	0.8
159.02901	3.5
159.08055	0.9
159.11731	0.5
160.07529	1.0
162.09076	0.5
165.07036	0.8
167.08612	0.7
169.10112	1.0
170.09697	0.9
171.08023	5.0
173.05977	3.9
180.09305	0.9
181.10126	0.5
185.06078	0.7
186.09120	1.1
188.07031	2.0
195.11679	3.1
197.13336	2.9
198.09142	0.8
200.15382	0.4
205.10117	0.4
207.11917	0.6
212.14301	2.7
214.08629	47.2
215.08998	0.5
222.12926	0.8
223.11061	1.1
225.12741	0.7
226.08623	3.1
231.04921	2.5
235.10037	1.3
240.13821	5.2
243.13736	1.0
250.12297	1.9
251.10757	0.9
258.14868	6.3
261.14804	0.7
268.13330	53.2
269.13763	0.8
286.14380	100.0
287.14786	2.5
302.17780	0.6
304.15457	18.4
310.14120	0.7
328.15485	0.8
386.99930	0.5
448.19519	1.0
490.21039	0.9
506.20413	0.9
534.19641	2.4
552.30505	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.4253
Annotation	(3'Z,5'Z)-Celaxanthin
Peak:m/z	Relative Intensity
53.03944	5.7
55.05514	12.1
57.07086	10.7
59.05011	3.2
62.22225	1.7
65.03939	3.4
67.05510	28.9
68.42229	1.8
69.03458	1.9
69.07079	17.1
71.08618	3.3
71.09993	1.7
71.10316	2.8
79.05505	24.3
81.03436	1.9
81.07062	41.1
83.08619	9.4
83.21075	1.7
89.06022	2.0
91.05491	38.5
93.07047	50.4
95.04963	4.7
95.08609	42.0
97.10172	2.9
103.05457	3.1
105.04539	2.0
105.07040	59.6
107.08599	48.6
109.09476	3.5
109.10165	42.4
115.05470	4.9
117.07005	16.3
119.08584	100.0
121.09328	3.6
121.10148	43.0
122.10450	2.2
123.08093	2.8
123.11730	12.9
128.06255	4.7
129.07059	9.2
130.07800	7.0
131.08588	30.0
133.10135	60.2
135.11710	38.8
137.09631	3.0
139.11172	1.9
141.06964	4.3
142.07787	14.8
143.08548	21.8
144.09343	3.5
145.10132	67.5
147.11717	19.5
149.09601	3.9
149.13269	7.4
151.04300	1.6
151.14861	2.0
153.07037	2.0
155.08522	8.6
156.09335	8.8
157.10129	35.4
158.10930	4.9
159.11697	32.6
161.13269	8.8
163.11264	2.6
163.14925	2.6
165.07024	3.4
167.08556	5.3
168.09387	4.7
169.10162	14.9
170.10896	6.7
171.11711	20.3
173.13264	21.0
175.13319	3.1
175.14839	42.9
179.08543	6.7
180.09438	2.5
181.10165	5.7
182.10904	6.4
183.11694	17.7
185.11826	2.4
185.13300	15.2
187.14862	16.1
188.98007	1.7
189.16409	4.4
193.10156	6.5
194.10912	4.0
195.11716	12.1
196.12497	4.8
197.13223	19.1
198.13881	1.7
199.14825	12.9
201.16382	16.1
206.10971	3.1
207.11736	7.1
208.12444	4.0
209.13268	12.2
210.14015	2.9
211.14813	11.8
213.16373	7.1
215.17975	3.0
218.10950	1.9
219.11714	2.0
219.17494	4.7
220.12436	2.0
221.13185	9.5
223.14771	11.7
224.15509	2.0
225.16420	5.6
227.17854	2.8
233.13286	4.2
235.14929	2.8
237.16420	3.2
239.17979	4.7
241.19557	4.8
245.13116	2.8
247.14951	2.9
247.61650	1.7
249.16458	4.3
251.17955	4.3
253.19572	4.2
255.21150	2.6
258.13843	1.6
259.20599	2.5
261.16544	4.4
263.17856	3.3
265.19550	3.7
267.21252	4.9
275.17950	3.6
277.19604	2.1
279.21011	3.3
283.20645	4.9
285.22101	4.1
289.19473	3.6
293.22385	2.1
305.22672	2.3
309.22183	3.1
323.88187	2.1
345.25754	3.8
349.25778	2.0
397.28824	3.4
411.30182	2.2
429.31400	2.6
495.36151	4.3
533.41754	5.1
537.03827	2.3
551.42615	40.5
551.50848	3.0
557.24628	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.5
55.01866	4.9
55.05517	16.2
57.03424	8.4
57.07077	37.1
59.09653	3.1
63.55812	4.1
65.03914	3.4
67.05507	41.8
69.07055	15.7
71.08629	25.2
73.71738	3.2
79.05505	33.0
81.07061	100.0
83.04998	3.9
83.08602	12.0
85.06535	6.5
85.10173	12.5
91.05476	12.9
93.07035	11.9
95.04951	4.1
95.08611	23.4
97.10162	9.4
98.20723	5.9
104.05087	3.3
105.07014	5.4
109.06535	20.1
109.10168	20.7
113.00012	48.8
119.08559	5.8
121.10167	3.6
123.11732	4.8
133.06531	4.1
135.11664	6.0
137.13338	3.7
142.19298	3.0
145.10110	4.8
163.11162	5.4
169.02605	55.1
239.23706	6.8
241.14250	3.6
266.17017	3.3
313.27353	38.9
344.61285	3.6
407.25430	5.2
421.33096	70.4
439.34082	7.2
505.30154	4.3
519.36639	3.7
551.39026	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	0.6
69.07085	0.8
69.19786	4.5
69.20189	1.2
81.03461	1.1
81.07053	0.9
93.07059	0.8
105.07047	0.6
119.08570	0.8
121.10109	1.0
127.03883	1.0
155.08554	0.5
159.11819	0.6
165.16164	0.6
220.38474	0.6
227.78070	0.6
234.41032	0.6
276.31625	0.6
285.22046	1.0
303.19339	8.9
315.38596	0.6
331.18744	3.1
355.17410	0.7
367.11435	0.6
397.18558	1.2
447.23578	1.7
465.24615	20.6
466.25122	0.8
489.25095	0.8
507.25684	38.8
551.24670	100.0
552.25098	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	551.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81438	2.6
53.03933	15.0
55.05508	5.4
57.03432	8.3
67.05508	12.1
68.99786	8.1
69.03075	5.3
69.03426	47.2
69.07053	8.5
69.64461	21.3
71.04987	16.2
77.30092	3.3
79.05476	12.2
80.43337	3.9
81.03416	60.6
81.07047	12.0
83.04977	4.4
83.08614	4.6
85.02911	45.2
85.06544	86.0
86.00582	3.0
86.88103	3.2
87.00820	17.8
91.05474	13.1
93.07042	16.0
95.04968	6.4
95.08613	18.9
97.02870	9.2
97.06516	13.6
97.10151	3.7
99.04461	21.6
105.01848	4.2
105.07030	15.9
107.08611	18.5
109.02890	41.2
109.10138	10.2
117.07009	6.3
119.08571	25.8
121.06425	5.5
121.10143	10.2
127.03913	87.7
129.06998	4.2
131.08571	13.4
133.10117	19.6
135.08014	3.7
135.11670	7.9
143.08569	8.7
144.09265	5.7
145.04950	3.8
145.10114	10.5
147.11658	13.3
149.13301	7.2
155.08641	4.1
157.10167	19.6
159.02805	4.0
159.11699	100.0
161.09622	5.1
161.13245	8.2
169.10106	4.0
171.11682	12.9
173.13293	10.6
175.11230	7.0
175.14853	4.7
177.12743	8.0
185.13269	4.7
187.14832	5.9
189.12743	3.4
199.14832	16.0
201.16304	5.5
203.14310	4.7
203.17955	6.2
211.14803	4.8
213.03947	15.5
215.07045	4.5
215.14337	5.4
217.15883	78.2
225.16289	4.7
227.18021	3.6
229.15805	5.4
231.04947	26.5
235.16933	9.5
245.19048	5.2
285.22134	17.7
303.23212	16.7
393.23978	3.3
447.20032	6.2
511.65195	3.8
515.26257	14.0
533.27106	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	551.1037
Annotation	Quercetin 3-(6''-malonylgalactoside)
Peak:m/z	Relative Intensity
53.03949	2.0
54.15960	0.2
55.01870	1.8
57.03444	1.1
61.02922	0.8
65.03942	0.3
68.99801	1.3
69.03433	6.2
70.93948	0.5
71.04980	0.8
71.40508	0.2
73.02922	1.5
75.25999	0.2
81.03421	7.8
82.66904	0.2
85.02907	11.5
87.00832	5.3
91.03967	0.6
93.03408	0.3
95.04970	0.5
97.02898	4.4
99.04454	2.8
101.02370	0.2
103.22359	0.2
105.01875	2.8
109.02882	6.5
111.00804	1.0
117.01827	0.9
121.02847	0.9
123.04511	0.2
127.02982	0.5
127.03924	9.6
129.01837	0.8
130.37988	0.2
137.02350	3.4
137.05942	0.6
145.04964	2.6
145.06105	0.3
147.02841	0.6
149.02319	0.6
153.01828	3.9
155.04893	0.3
159.02892	3.9
161.05957	0.5
163.03920	0.8
165.01828	2.0
173.05978	0.6
177.01852	0.3
178.47211	0.2
183.02898	0.6
195.02878	0.4
201.05472	3.5
219.06468	0.3
229.04971	4.6
231.05025	0.9
247.06075	0.8
247.76114	0.2
257.04446	2.4
274.04892	0.7
285.03928	1.2
298.03061	0.2
303.04990	100.0
304.05310	1.7
307.93030	0.2
345.06219	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94413	0.3
63.43708	0.4
63.89547	0.3
70.74308	0.7
79.05508	0.4
91.05486	0.7
96.08135	0.8
105.07006	0.4
117.07017	5.0
119.04949	0.3
119.08594	2.7
124.07638	0.5
131.08586	0.4
133.06496	0.4
136.07594	0.6
143.08594	1.7
145.06499	1.1
145.10152	1.6
147.08022	0.6
153.13304	0.4
155.08571	2.4
157.10056	0.6
160.11157	0.6
171.08095	0.5
173.06035	3.5
181.10081	0.7
183.11665	0.5
188.10765	0.4
189.01752	0.4
192.09341	0.7
196.07643	0.4
197.13268	1.5
197.23282	0.4
207.11612	0.4
216.10205	42.4
225.12781	1.5
228.10251	0.8
242.15378	0.7
253.12270	3.0
270.14911	25.3
302.17517	100.0
303.17828	1.6
316.96268	0.4
452.16132	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
58.05212	0.3
67.05518	0.5
70.77657	0.8
84.46211	0.3
91.05501	0.5
96.08129	0.8
97.08376	0.3
103.84297	0.3
105.07007	0.3
115.05426	0.5
117.07043	5.0
119.08591	2.7
124.07548	0.5
129.06985	0.5
131.08525	0.4
136.07588	0.5
143.08591	1.8
145.06493	1.2
145.08955	0.5
145.10107	2.0
147.08037	1.0
155.08594	3.2
157.10129	0.7
160.11237	0.5
169.10115	0.7
173.05995	4.0
182.11009	0.5
183.11707	0.6
188.10730	0.7
192.09285	0.5
197.13249	1.5
207.11673	0.7
214.08667	0.4
216.10205	43.6
225.12798	1.4
242.15352	0.7
253.12263	2.9
270.14902	27.7
271.15311	0.5
302.17511	100.0
303.17810	2.3
319.99448	0.4
505.90588	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.4
55.05512	3.2
59.45306	2.1
61.02949	2.2
61.63216	1.9
69.03440	3.6
69.07038	3.4
71.49808	4.2
76.23164	2.1
77.73777	1.9
79.05490	5.6
81.03415	3.0
81.07056	7.4
85.02898	4.9
87.00808	2.9
91.05480	10.9
93.07059	4.5
95.08601	2.7
97.06538	3.5
99.04422	2.2
103.05476	7.4
105.07016	16.9
107.04987	15.9
107.08584	4.5
109.02859	2.0
109.06518	7.3
109.10153	3.4
115.05470	5.1
117.07031	2.3
119.08572	2.9
121.10143	2.8
122.03645	6.2
127.03962	3.2
129.07016	2.5
131.04938	11.4
131.08554	3.0
133.06494	7.4
133.10107	2.8
135.08047	6.0
135.11688	3.1
137.05980	80.6
141.06972	4.5
145.06459	3.9
146.03610	11.8
147.04369	4.5
149.05986	5.6
151.07536	8.8
151.11153	2.2
157.10077	2.1
161.05989	100.0
163.07555	25.8
165.06880	2.5
169.06480	6.4
175.07497	10.0
177.05440	4.9
178.07748	2.6
179.08415	3.2
183.69817	2.0
184.07314	2.9
190.07790	6.6
194.07265	11.7
201.09134	9.7
203.08614	4.1
205.06522	8.6
205.10150	17.1
206.07355	2.3
207.07997	3.6
209.09700	3.1
215.08575	5.6
218.07314	7.3
219.08138	3.9
221.06023	5.3
222.06818	14.5
223.07722	2.2
232.08791	3.0
233.06047	3.8
233.09650	34.8
234.06865	3.3
234.10432	2.8
235.07579	5.9
237.09099	17.7
239.07005	2.4
247.07565	3.6
249.09125	4.1
250.06203	6.4
250.09914	11.3
251.07111	3.0
251.10703	2.1
252.07750	3.0
254.09303	3.2
261.09167	21.6
262.09802	4.4
263.07080	6.3
264.07834	4.0
265.08603	48.4
265.12222	19.2
269.08084	3.4
275.10458	2.4
277.08578	3.9
278.09354	13.6
279.10263	6.6
281.08047	4.7
282.08871	2.7
284.10492	4.5
293.11731	59.9
294.12149	4.0
295.09650	6.0
296.10272	2.9
297.11230	73.5
299.12653	2.7
305.10117	9.2
310.11871	5.2
311.12900	3.3
325.14343	75.4
341.13910	3.3
343.15283	14.6
351.12036	4.1
367.15588	3.0
369.13263	7.2
385.16537	13.3
397.12869	5.8
411.14352	9.4
429.15445	76.2
429.21323	3.8
476.76263	2.4
573.34424	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	549.4515
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02074	0.9
53.03946	2.1
55.01867	1.3
55.05513	19.2
57.03424	1.6
57.07073	3.9
59.04995	1.4
59.27757	0.9
65.03927	1.6
67.05507	100.0
67.42866	0.9
69.07072	18.3
71.05003	2.6
71.08640	1.9
71.49624	2.1
79.05495	37.7
81.03452	1.9
81.07059	100.0
83.04977	1.9
83.08615	23.3
85.06543	4.5
89.05972	1.1
91.05486	24.3
93.07050	48.5
95.04966	3.0
95.08610	93.7
97.06528	14.7
97.10175	9.2
99.08102	4.0
100.11713	0.9
105.04538	1.3
105.07030	13.8
107.04900	1.1
107.08598	27.3
109.06505	1.8
109.10161	33.7
111.08080	18.0
111.08795	1.6
113.30444	1.0
117.07029	1.7
119.08588	11.0
121.10154	50.4
123.08044	2.4
123.11704	14.7
125.09623	3.8
131.08595	5.8
133.10139	23.3
133.11113	1.8
135.11691	33.7
135.91475	0.9
137.09615	3.8
137.13242	5.0
139.11209	2.6
141.09042	1.2
145.10144	5.6
147.11681	6.4
149.13280	20.5
151.11192	6.2
155.10716	1.2
159.11719	4.3
161.13264	2.0
163.14841	8.7
173.13312	4.5
175.14798	1.8
175.98888	1.1
187.14835	2.6
189.16373	2.6
191.18118	1.0
195.13840	1.6
215.17976	28.1
233.19029	15.6
245.22641	4.2
251.20074	96.5
252.20520	1.1
263.23694	15.0
269.21133	5.4
279.23132	3.0
281.24759	3.5
393.09717	1.2
482.55261	0.9
549.40942	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.379
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43408	2.2
51.69287	2.1
51.86886	1.9
53.03933	8.7
55.01863	7.2
55.05278	2.2
55.05515	26.8
57.03447	10.6
57.07062	5.4
57.31874	2.2
59.04974	9.7
65.03940	7.3
67.01720	2.3
67.05503	100.0
69.03425	3.3
69.07066	39.9
71.05000	14.2
71.08628	2.7
71.49168	4.0
73.02915	2.2
73.06563	2.4
79.05083	4.2
79.05496	61.2
81.03419	37.5
81.07056	91.6
83.04959	5.2
83.08611	11.1
85.06535	6.8
89.06020	4.4
91.04908	3.2
91.05481	68.1
93.07044	88.4
95.04967	13.4
95.08607	73.1
97.06519	13.5
97.10164	4.2
99.08064	3.1
105.04530	3.9
105.07029	47.5
107.04947	3.6
107.08600	38.9
109.06487	7.3
109.10157	43.9
111.08072	8.0
117.07004	23.5
119.08581	54.3
121.06477	9.9
121.10146	30.4
123.08043	10.7
123.11698	8.0
125.05975	6.5
125.09599	5.8
128.06203	2.6
129.06999	12.8
131.08563	28.4
133.10126	29.2
135.08018	7.1
135.11665	15.0
137.09616	18.0
139.07573	5.2
139.11154	3.8
139.56407	2.2
141.07045	4.9
142.07751	4.0
143.07025	7.8
143.08560	18.3
145.06476	2.8
145.10114	24.0
147.08055	3.4
147.11676	22.1
149.09592	5.8
149.13240	10.2
151.11157	3.2
155.08528	9.4
157.10152	13.4
159.08125	3.0
159.11681	21.2
161.09605	4.8
161.13284	12.7
163.11058	2.3
163.14867	3.4
165.09174	5.9
165.12622	2.2
167.10634	3.9
169.10104	7.6
171.10269	3.1
171.11684	10.0
173.13281	13.7
173.14500	2.7
175.11261	3.4
175.14775	6.2
177.12704	3.7
180.09453	1.8
181.10068	2.6
183.10194	2.7
183.11702	8.5
184.07410	5.0
185.13301	9.4
187.14801	7.7
195.11746	4.0
197.13252	7.8
199.09634	9.1
199.11264	2.7
199.14816	5.3
201.11163	4.5
201.16258	2.4
205.52155	2.6
207.11803	2.5
209.13268	3.7
211.14867	4.3
213.16342	4.3
220.84955	2.5
223.14801	4.4
225.16397	2.4
227.14421	2.6
231.17540	2.6
239.12813	17.5
247.17064	2.6
261.22107	7.6
271.20624	2.5
285.22229	3.0
287.23538	4.3
289.21616	5.2
299.23816	3.8
301.25256	3.8
303.23236	4.7
323.23624	2.5
327.23117	4.5
333.24200	3.2
335.25745	14.4
337.21960	2.3
341.24808	2.4
361.27234	2.7
363.25296	9.2
389.28366	5.1
401.26849	5.1
407.24390	4.2
407.29385	23.9
425.30750	15.4
443.31693	3.2
473.32278	2.7
481.33127	2.8
499.34183	46.2
501.47693	2.3
517.35345	38.3
531.37061	11.5
549.37952	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	549.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.8
55.01866	9.1
55.05515	51.0
57.03413	11.4
57.07069	7.8
58.03461	3.4
59.04993	9.2
65.03937	5.9
67.05508	96.5
69.03426	9.9
69.07076	23.4
71.01369	3.4
71.04981	7.2
79.05494	82.2
81.03420	8.0
81.07055	100.0
83.04971	13.5
83.08622	32.6
84.87792	3.4
85.06548	5.8
88.77491	3.3
89.06043	3.4
91.05493	58.5
93.06494	4.9
93.07047	79.8
95.04961	11.8
95.08609	59.7
97.02896	5.4
97.06549	8.7
97.10168	26.7
99.00822	8.2
101.06010	4.0
105.07036	62.9
107.04945	8.9
107.08592	50.5
109.02855	9.5
109.06521	5.5
109.10157	34.4
111.04389	7.7
111.08098	7.3
111.09152	3.2
117.07012	19.4
119.08577	40.5
121.10133	39.9
123.08057	7.9
123.11702	21.7
125.09639	23.0
129.06966	14.7
131.08589	30.3
133.08586	5.4
133.10144	52.6
135.08052	7.3
135.11705	33.6
137.13208	3.5
141.06987	5.4
143.08531	16.0
145.10126	32.7
147.08015	7.7
147.11656	23.9
149.09602	8.3
149.13283	18.1
151.11201	8.1
153.09174	3.9
155.08545	4.9
157.10120	12.6
159.08002	3.7
159.11708	18.7
161.09605	15.2
161.13228	7.7
163.11143	6.4
169.10077	8.8
171.07997	4.1
171.11679	14.0
173.13251	11.0
179.10738	4.4
181.10031	4.1
183.11720	10.6
185.09718	4.2
185.13249	14.2
187.14835	5.2
189.09073	8.2
189.11235	15.0
189.12773	3.9
189.16255	4.8
191.10689	5.2
195.11655	4.0
197.13202	6.2
199.14932	4.6
205.19521	5.9
206.61893	3.9
209.13322	6.8
213.16402	12.5
215.17981	21.3
225.11134	17.0
225.16455	6.0
227.12791	16.1
229.39912	4.3
231.17436	15.2
233.19032	36.8
239.17848	5.8
243.12288	7.6
243.17651	3.4
249.18539	10.6
251.20082	8.4
257.18930	3.4
259.20520	7.5
267.17624	4.2
276.73386	3.3
279.17786	4.1
281.13843	4.1
285.18143	3.8
287.19977	7.9
294.78357	3.3
299.14819	26.8
307.22629	26.7
350.93027	3.3
393.27826	12.3
411.28888	10.0
421.27316	16.4
429.29837	7.0
439.28424	28.5
457.29605	17.8
467.31824	5.3
485.32993	18.4
487.34415	8.4
494.02216	3.7
495.30225	4.5
503.33685	16.6
513.32141	53.0
531.33234	62.2
549.34137	18.5
558.28644	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	549.0138
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70100	0.5
71.48044	0.5
72.15301	0.3
74.24724	0.4
89.60463	0.3
92.54590	0.3
98.97556	1.2
102.96838	0.5
116.98598	0.8
148.63969	0.3
175.07745	0.3
177.00957	0.8
178.39088	0.4
180.96844	0.4
184.96117	0.3
198.97829	0.9
216.98962	4.6
219.01999	0.7
222.97952	1.5
235.00017	8.3
240.98961	9.4
253.01036	1.2
259.00024	37.2
260.00131	1.8
261.00256	0.7
261.03058	1.7
262.03076	0.5
263.02875	0.5
264.98798	2.5
265.99323	0.5
270.59064	0.4
273.98743	1.4
274.97729	0.4
277.01086	20.6
278.01221	1.4
279.01410	0.5
283.00009	97.5
284.00073	5.1
284.99985	1.2
291.99826	0.6
301.01074	100.0
302.01184	5.6
303.01169	1.0
316.99161	0.8
319.02063	3.0
324.02725	1.5
359.00174	1.3
364.99066	0.9
383.00095	1.6
401.01257	5.9
402.01401	1.5
403.00638	0.5
406.99991	5.8
407.04822	0.4
425.01190	39.4
426.01215	2.8
427.01016	0.8
443.02271	70.3
444.02512	4.6
445.02457	1.1
466.03873	2.5
467.04178	0.4
525.01080	1.6
526.01703	1.0
527.98718	0.6
536.50012	0.5
536.99738	0.5
537.49927	0.7
546.00256	0.4
549.01355	16.3
550.01349	1.1
567.02380	26.6
568.02435	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	549.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.7
53.17202	2.5
55.01884	14.4
55.05514	15.9
55.69068	2.5
57.03429	10.1
57.07078	4.3
59.04990	9.6
65.03945	5.3
67.05508	78.3
69.07081	40.9
71.04978	4.7
72.32230	2.7
73.02917	3.7
79.05499	77.2
81.03412	5.5
81.07060	82.0
83.05008	3.4
83.08617	7.6
91.05486	44.6
93.07043	52.5
95.04993	9.4
95.08611	63.3
97.06529	10.4
97.10158	3.6
98.20795	7.0
99.00813	8.1
103.05449	6.5
105.07034	100.0
107.04942	7.2
107.08595	41.5
109.06534	4.0
109.10162	28.0
111.08054	3.2
117.07013	17.9
119.08598	31.1
121.06577	4.1
121.10165	27.4
123.08078	14.2
123.11710	10.7
125.06000	9.1
125.09628	12.0
129.07042	8.1
131.08585	24.6
133.06508	26.9
133.10112	21.6
135.04378	6.4
135.08072	9.1
135.11678	20.6
141.07010	4.4
143.07068	13.6
143.08583	12.2
145.10152	16.2
147.08011	3.7
147.11719	16.6
149.09589	5.2
149.13327	14.1
151.07539	36.0
153.09152	11.2
155.08563	8.4
157.10144	6.7
159.08060	3.4
159.11716	17.2
159.93576	2.8
161.09589	6.0
161.13266	11.2
163.07617	4.2
163.14864	5.2
169.10156	10.3
171.11673	11.7
173.13284	10.8
175.14851	4.6
179.07077	12.5
181.08693	3.4
183.11736	5.2
185.13205	7.6
187.14769	6.6
197.13286	6.9
199.09695	8.5
199.14977	3.7
209.13284	4.2
215.09247	4.7
215.17931	3.1
241.19728	3.9
243.21112	6.9
253.10692	4.5
259.20563	10.4
261.22177	31.3
271.11722	30.8
273.13162	3.5
277.21747	6.6
279.23099	4.5
287.23825	3.6
289.21707	5.0
296.61258	3.5
313.21725	5.0
315.23343	5.7
317.24695	7.2
333.24335	6.3
335.25781	28.2
375.26953	4.5
393.27869	16.4
395.29742	5.6
411.29004	12.0
421.27338	13.1
429.29959	7.0
439.28555	16.4
457.29224	5.2
485.32703	17.0
495.30954	10.0
503.33694	12.9
513.32172	40.6
521.34607	4.8
531.33130	53.9
549.33594	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.4
55.05495	2.6
57.03430	1.2
57.63035	1.0
61.74953	1.2
64.42756	1.0
67.05513	5.9
69.03418	3.1
69.07057	4.8
70.94721	2.6
71.04993	3.5
73.31119	1.0
79.05501	1.7
81.03414	2.0
81.07059	14.2
83.08611	1.6
85.02895	5.6
85.06549	25.7
87.00821	2.3
91.05476	1.2
93.06521	1.4
93.07040	8.5
95.08613	18.3
97.02882	2.3
97.06558	1.3
97.10134	1.3
99.08103	4.2
100.66949	1.0
105.01886	1.0
105.07040	6.5
107.08590	9.9
109.02849	1.5
109.10149	16.8
113.09653	1.9
119.08598	9.3
121.10124	7.3
123.10869	1.4
123.11681	7.4
125.09653	4.1
127.03896	2.4
127.11201	2.3
131.08594	2.5
133.10129	3.9
135.11681	5.1
137.09602	4.8
137.13243	1.2
139.11159	3.1
145.10155	3.2
147.11693	8.0
149.13260	3.2
151.11136	2.2
159.11751	6.5
159.12830	1.3
161.13205	3.6
163.14795	2.8
165.12767	1.6
173.13286	6.4
176.44479	1.1
187.14804	2.5
189.16440	1.5
203.17986	3.3
229.19475	8.9
239.20232	1.2
247.20593	7.9
265.21637	100.0
266.21866	2.2
283.22693	24.3
307.61545	1.3
477.98508	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3935
Annotation	Allopurpurin
Peak:m/z	Relative Intensity
53.03941	1.5
55.01859	1.1
55.05513	7.8
57.07077	3.8
59.05020	1.8
65.03971	1.3
65.98737	1.0
67.05508	13.2
69.03419	1.1
69.07069	9.1
69.24866	7.9
69.25281	1.9
71.08639	1.6
72.64998	1.0
79.05505	12.2
81.03414	2.6
81.07052	17.3
83.04998	2.6
83.08624	3.6
85.06571	1.1
89.06036	1.6
91.05479	17.6
93.07045	19.1
95.04971	4.1
95.08599	15.8
97.10186	1.4
103.05493	3.4
105.07042	26.7
107.08603	18.8
109.10156	10.3
111.08124	1.5
115.05453	2.3
117.07004	5.4
119.08585	30.8
121.10149	16.8
123.08079	1.6
123.11733	4.4
128.06252	3.5
129.07045	5.0
130.07828	1.9
131.08569	11.5
133.10143	23.3
135.08075	1.5
135.11716	11.8
137.09653	1.9
141.07025	2.4
142.07780	6.6
143.08568	14.7
144.09326	2.5
145.10117	19.6
147.11693	9.6
149.09692	3.7
149.13326	2.0
153.07030	2.0
154.07809	1.3
155.08585	5.7
156.09319	8.0
156.75912	1.1
157.10132	21.1
158.10962	1.9
159.11757	11.0
161.13286	4.3
163.11205	2.0
165.06998	2.4
166.07864	1.8
167.08627	5.0
168.09381	3.0
169.10118	13.1
170.10951	3.5
171.11705	16.2
173.09665	2.4
173.13249	11.5
175.14821	5.8
178.07680	1.0
179.08545	6.0
180.09363	3.3
181.10149	7.8
182.10945	4.1
183.11719	10.4
184.12520	2.5
185.13263	11.4
187.14796	5.7
189.12840	1.4
191.14301	1.6
192.09369	1.8
193.10214	4.7
194.10851	5.1
195.11780	10.2
196.12560	3.4
197.13260	12.5
199.11140	1.5
199.14862	6.2
201.16386	2.1
205.10199	2.3
206.11079	2.8
207.11658	7.7
208.12585	4.2
209.13261	12.5
211.14807	8.7
213.16412	3.1
215.14377	1.8
217.10289	2.0
217.15871	1.5
219.11830	3.0
220.12595	4.0
221.13313	8.3
222.14067	2.7
223.14842	6.9
225.16501	4.0
227.18010	1.4
229.10269	2.0
229.15775	1.5
231.11754	4.7
232.12607	2.2
233.13379	4.8
234.14145	1.9
235.14894	5.9
236.15631	1.4
237.16451	6.0
239.18134	5.0
241.19830	1.7
243.11710	1.7
244.12517	1.8
245.13246	5.3
246.14122	2.8
247.14952	4.6
248.15710	1.8
249.16403	3.0
251.18069	3.7
253.19427	1.7
255.17487	1.5
257.13327	3.6
258.14148	1.9
259.14957	4.6
260.15704	2.9
261.16568	3.4
263.18076	3.2
265.19656	3.3
267.21255	1.7
269.13150	1.7
269.19354	1.5
269.79807	1.0
271.14951	2.2
272.15506	1.3
273.16473	4.7
274.17117	1.2
275.18060	2.9
277.19656	3.2
279.21301	1.4
281.13376	2.5
281.19092	1.3
283.14850	2.5
283.20651	1.7
285.16605	2.2
286.17361	1.3
287.17862	2.5
289.19678	3.3
291.20956	2.3
295.20642	1.7
296.15591	1.4
297.16479	3.5
299.17996	3.7
301.19601	2.5
309.16336	1.5
309.22229	1.8
311.18051	2.0
313.19568	1.6
315.21127	1.3
317.22812	1.9
323.17770	1.9
325.19720	1.9
327.21222	2.6
329.22675	2.5
331.24323	1.7
337.19894	1.8
341.23038	1.5
343.24225	2.5
349.19565	1.3
353.22806	1.4
355.24200	1.4
393.26013	2.1
407.27353	1.7
409.29761	1.6
425.28287	1.8
427.29834	1.4
491.33072	3.0
529.38574	11.9
547.39514	100.0
548.39410	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	547.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	11.2
55.01863	7.5
55.05308	2.8
55.05511	29.2
57.03420	5.2
57.07074	16.7
59.04989	4.7
65.03934	5.5
67.05503	74.8
69.03403	3.5
69.07069	16.3
69.21567	30.9
71.01334	4.6
71.04980	7.4
71.08630	7.0
79.05494	100.0
79.97036	3.3
81.03419	25.3
81.06593	4.6
81.07055	63.8
83.04971	11.6
83.08623	14.1
85.02899	5.1
85.06532	6.3
85.10177	4.7
89.06023	8.3
91.04907	4.3
91.05477	56.1
93.06496	6.8
93.07047	88.3
95.04961	26.7
95.08607	42.9
96.43841	3.0
97.02881	9.9
97.06517	12.0
97.10193	7.8
99.08095	5.1
103.05437	4.3
105.04527	6.4
105.07029	45.0
107.04945	13.5
107.08594	33.4
109.02892	4.4
109.06517	9.1
109.10178	18.3
111.04441	20.6
111.08094	5.3
113.09583	2.9
113.96626	2.8
117.07027	19.7
119.08566	28.5
121.06480	7.9
121.10149	60.2
123.04424	12.2
123.08059	6.4
123.11684	4.9
125.05975	5.8
125.09605	7.2
129.07010	5.8
130.07809	3.8
131.08551	20.8
133.08571	4.1
133.10109	14.0
135.08049	7.4
135.11685	20.3
137.09563	4.9
139.11044	3.3
143.08528	5.3
145.10129	25.4
147.08098	4.7
147.11708	7.4
149.09598	5.8
149.13255	3.8
153.12796	6.5
155.08464	4.9
157.10046	3.2
159.11665	9.4
163.11165	39.1
171.11685	6.7
173.09619	9.7
173.13257	8.7
184.07248	6.3
187.14853	3.1
191.10664	7.5
209.11717	17.3
215.17932	5.5
223.13268	25.5
227.12828	4.4
233.18915	3.4
235.13309	18.3
239.23688	3.3
241.14429	18.8
297.16837	3.3
307.22580	8.4
315.18140	4.7
515.33673	21.0
529.36499	4.0
547.36670	49.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	11.7
55.01876	27.4
55.05520	32.2
57.03425	12.3
61.02918	4.9
65.03954	7.4
67.05192	4.6
67.05518	76.6
69.03406	8.9
69.07063	35.5
69.24915	22.4
69.25322	9.7
71.04975	7.3
77.03925	3.8
79.05076	5.8
79.05502	88.2
81.03412	14.7
81.07064	80.4
82.12180	3.3
83.01340	8.1
83.04981	13.8
83.08611	14.2
85.02908	11.2
91.05492	100.0
93.06512	3.6
93.07056	69.9
95.04961	17.0
95.08621	42.1
97.02882	9.2
97.06551	30.0
97.10176	8.7
105.04550	4.3
105.06384	6.4
105.07040	55.3
107.04959	29.2
107.08617	50.3
109.06538	20.1
109.10173	14.7
111.04430	6.4
111.08070	6.9
111.73636	5.0
115.05496	7.5
117.07030	50.5
119.08578	46.9
121.06493	15.1
121.10170	31.1
123.08041	13.9
123.11668	4.3
125.05967	4.8
125.09606	15.2
129.07007	12.8
130.07756	5.6
131.08585	31.4
133.06535	8.4
133.10153	30.4
135.08067	42.6
135.11681	9.6
137.09604	12.7
143.06984	8.1
143.08545	12.5
145.06485	6.7
145.10141	37.5
147.08028	8.7
147.11668	16.5
149.09663	20.6
151.11142	5.6
153.09076	5.6
154.73492	4.4
155.08521	8.4
157.10110	14.6
159.11693	20.7
161.09622	9.5
161.13235	7.5
163.07579	7.3
163.11223	22.6
169.10057	7.3
171.11722	12.2
173.09628	5.4
173.13219	7.4
177.12741	5.0
178.55060	3.7
183.11679	8.9
185.09584	4.1
185.13245	5.4
187.11266	7.9
187.14798	4.7
189.12727	4.4
199.09581	5.3
201.16437	10.1
211.14822	5.7
213.16319	4.7
227.12708	10.5
229.15836	7.9
229.19542	4.3
231.17499	6.6
239.18182	4.2
247.16953	15.5
255.12308	34.4
257.19070	10.7
275.20123	45.0
283.15332	14.6
321.20508	11.4
345.24039	3.7
345.59787	5.0
349.23730	8.7
391.26367	5.6
437.26852	5.5
494.70938	4.2
511.30313	15.0
529.31708	31.6
547.32697	26.6
551.68158	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	547.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.9
55.01851	2.1
55.05509	5.2
55.56289	1.9
57.03442	4.0
59.04976	2.0
61.02924	2.8
67.05501	8.2
69.03429	7.3
69.07061	7.3
71.04988	5.9
71.49329	2.1
71.49754	2.2
79.05478	5.9
81.03405	7.3
81.07061	22.7
83.08658	2.8
85.02896	18.4
85.06548	38.2
87.00813	8.5
91.05490	5.0
93.07043	14.1
95.08614	22.6
97.02895	6.2
97.06537	7.2
99.04459	3.3
99.08104	4.6
105.01885	2.4
105.07044	11.8
107.08596	17.9
109.02892	6.4
109.06497	2.6
109.10168	17.5
111.08114	4.8
117.03397	5.8
117.07034	2.5
119.08587	17.6
121.10132	13.2
123.08064	5.7
123.11699	7.5
125.09589	4.2
127.03929	10.5
127.11190	7.8
128.04172	2.5
131.08540	3.9
133.10162	9.8
135.08075	4.0
135.11697	10.3
137.09610	6.2
139.11220	3.4
143.08502	3.5
145.02869	16.6
145.10107	10.7
146.03239	10.3
147.11690	6.5
149.09711	2.4
149.13342	3.4
155.10602	2.3
157.10152	4.6
159.02824	3.5
159.11697	8.8
161.13243	7.1
163.11240	4.1
171.11713	6.5
173.13225	4.0
177.05484	40.3
178.05829	30.1
179.14330	6.0
185.13213	6.1
187.14792	5.0
189.12709	2.1
201.16379	3.3
227.17908	10.8
233.18893	2.4
241.01904	2.1
245.19098	18.3
245.31966	1.9
263.20084	52.4
281.21127	100.0
299.22174	13.7
315.02084	2.1
498.55652	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	547.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.5
53.87766	0.6
55.01860	1.3
55.05498	3.1
57.03432	1.8
57.07061	1.0
67.05513	6.3
69.03426	3.8
69.07066	4.7
69.20836	4.6
69.21272	3.0
71.05004	3.7
79.05494	5.4
79.73351	0.7
81.03409	3.3
81.07065	14.5
83.08607	1.7
85.02909	6.6
85.06547	20.6
87.00829	3.3
87.04459	2.2
91.05495	4.3
93.07042	9.2
95.04980	0.9
95.08613	15.4
97.02901	2.7
97.06528	2.7
97.10133	0.9
99.04442	1.1
99.08095	1.9
105.01872	1.8
105.07033	8.9
107.08590	11.4
109.02899	2.1
109.10166	8.8
111.08065	2.4
113.09633	2.0
117.07024	2.1
119.08598	7.5
121.10165	6.4
122.09715	1.6
123.08070	3.1
123.11710	2.5
125.09647	4.8
127.03951	3.5
127.11221	1.3
131.08574	4.0
133.10129	7.1
135.08067	1.8
135.11674	4.6
137.09605	2.4
139.11195	0.9
141.09070	1.2
143.08540	2.7
143.10680	2.1
145.04976	1.0
145.10132	8.1
147.11650	4.0
148.41611	1.0
149.09651	0.8
149.13286	1.6
153.09105	1.4
155.10649	1.3
157.10165	2.9
159.11702	6.7
161.13301	4.2
163.11150	1.3
171.11688	3.7
173.13277	3.4
175.11176	1.1
175.14812	1.7
177.16365	0.7
185.13260	3.4
187.14876	1.9
189.16389	1.4
199.14749	1.8
201.16362	3.6
203.17996	1.3
215.17896	2.0
219.17502	1.2
227.17860	4.3
233.18993	2.5
245.19028	6.5
251.19824	1.1
263.20087	10.4
281.21127	100.0
282.21439	1.7
299.22208	5.4
388.93350	0.8
401.74512	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.2
55.05521	4.8
57.03450	1.6
57.73350	1.0
59.11031	1.0
66.12176	1.0
67.05508	9.0
69.03431	5.1
69.07071	9.0
69.74782	1.0
71.04984	3.9
76.75654	1.0
77.33349	0.9
79.05492	7.5
81.03400	2.6
81.07058	12.5
83.04963	1.9
83.08615	2.5
85.02934	6.5
85.06548	48.7
87.00837	3.6
91.05479	5.6
93.07041	11.6
95.04958	1.4
95.08613	30.7
97.02905	2.0
97.06525	4.6
97.10175	2.5
99.08105	5.0
105.01838	1.6
105.07033	10.8
107.08600	13.9
109.02847	2.0
109.10149	12.6
111.08088	3.4
113.09679	2.5
117.07006	1.3
119.08588	10.0
121.10157	13.5
121.45456	1.2
122.09605	1.0
123.08073	3.3
123.11686	3.8
125.09628	15.6
127.03916	2.5
129.06940	1.3
131.08556	2.5
133.10147	7.5
135.08121	2.3
135.11699	4.8
137.09636	9.2
139.11172	4.1
141.09088	1.6
143.08614	2.0
143.10690	5.4
145.10133	7.2
147.11696	4.6
149.09660	1.2
151.11172	2.4
155.10716	2.0
157.10100	3.6
157.12233	1.9
159.11707	8.4
161.13257	6.4
163.11206	2.4
167.10652	1.4
169.12204	1.5
171.11761	5.0
173.13283	4.3
175.11221	1.4
175.14839	1.7
177.12811	3.4
177.16393	1.7
179.14317	3.5
185.13237	2.4
187.14810	2.9
195.13788	2.8
199.14841	2.4
201.16325	4.8
205.15834	1.3
215.17924	1.2
217.15926	1.5
217.19348	1.1
221.19003	3.2
227.17909	6.5
231.04738	1.3
244.97615	1.1
245.19070	10.2
251.19925	1.2
263.20065	41.7
281.21118	100.0
285.59726	1.0
299.22159	15.4
343.17999	1.1
368.84402	1.1
484.28656	1.0
547.23883	1.4
548.68878	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	7.3
57.03443	4.7
57.95370	4.6
61.97170	4.2
67.05502	10.3
69.03427	11.1
69.07063	8.9
69.29034	24.1
69.29459	12.7
70.84695	4.9
71.04988	6.5
79.05466	8.1
81.03415	5.6
81.07057	17.9
83.04987	10.6
85.02902	12.1
85.06552	49.6
86.03248	4.5
91.05479	7.0
91.60369	4.1
93.07033	13.0
94.70177	4.1
95.08615	26.3
97.06518	9.1
99.08088	6.9
105.07022	12.3
107.08598	16.9
109.02880	4.2
109.10138	12.2
111.08083	5.9
119.08577	12.4
121.10184	10.1
125.09618	6.6
127.03909	6.5
127.11137	7.2
131.08490	6.0
133.10123	11.5
135.11717	4.6
137.09642	6.8
143.08444	4.1
145.10117	8.4
147.04367	5.8
147.11687	6.5
149.09552	4.8
155.10670	5.6
157.06105	26.9
157.10176	6.9
158.06422	9.7
159.11717	7.4
163.11249	4.8
171.11737	6.7
187.14911	5.3
189.83531	4.3
231.05768	4.8
245.18916	9.0
263.20126	22.3
274.23010	5.1
281.18268	8.4
281.21149	100.0
297.03787	10.7
299.22098	15.3
329.06619	9.7
373.05365	5.5
536.42133	4.7
547.21094	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	547.275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.2
55.01872	3.2
55.05500	6.3
57.03419	2.4
61.02934	2.6
67.05505	11.9
69.03435	9.3
69.07061	8.0
69.97388	7.8
71.04995	9.2
71.52359	1.8
76.40306	1.9
79.05489	10.2
81.03408	6.1
81.07065	20.1
83.08634	2.7
85.02914	17.2
85.06547	45.1
86.03248	2.4
87.00827	7.5
87.04464	2.5
91.03931	1.9
91.05486	8.2
93.07052	18.5
95.08612	24.1
97.02873	6.7
97.06522	7.6
99.04463	3.5
99.08080	4.1
105.01870	2.2
105.07032	14.0
107.08598	15.9
109.02869	4.8
109.10175	20.0
110.03193	1.7
111.08071	5.5
113.09666	3.1
117.03367	4.9
117.05513	2.0
117.07042	3.5
119.08586	14.8
121.10153	12.5
123.08060	5.4
123.11703	5.2
125.09631	6.4
127.03926	8.9
127.11179	7.5
131.08575	7.0
133.10115	10.1
135.08009	2.8
135.11693	9.4
137.09607	4.3
139.11223	2.9
143.08539	3.5
145.02838	13.3
145.04991	3.6
145.10124	12.8
146.03174	9.0
147.11696	8.0
149.06001	4.0
151.11153	3.0
155.10587	2.3
157.10123	7.0
159.11728	8.6
161.13277	10.9
163.11197	4.1
171.11725	4.0
173.13269	3.6
175.14780	3.5
177.04071	3.6
177.05487	41.7
178.05832	26.3
179.14322	5.9
185.13289	5.2
187.14824	4.4
189.09142	2.4
189.12738	2.2
201.16484	6.1
202.55798	2.1
203.17883	3.1
205.15923	2.6
227.17958	9.0
233.11708	2.3
243.06248	2.2
245.19090	17.9
263.20081	57.7
281.21121	100.0
299.22253	9.7
542.88129	2.1
547.19080	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.5
53.87766	0.6
55.01860	1.3
55.05498	3.1
57.03432	1.8
57.07061	1.0
67.05513	6.3
69.03426	3.8
69.07066	4.7
69.20836	4.6
69.21272	3.0
71.05004	3.7
79.05494	5.4
79.73351	0.7
81.03409	3.3
81.07065	14.5
83.08607	1.7
85.02909	6.6
85.06547	20.6
87.00829	3.3
87.04459	2.2
91.05495	4.3
93.07042	9.2
95.04980	0.9
95.08613	15.4
97.02901	2.7
97.06528	2.7
97.10133	0.9
99.04442	1.1
99.08095	1.9
105.01872	1.8
105.07033	8.9
107.08590	11.4
109.02899	2.1
109.10166	8.8
111.08065	2.4
113.09633	2.0
117.07024	2.1
119.08598	7.5
121.10165	6.4
122.09715	1.6
123.08070	3.1
123.11710	2.5
125.09647	4.8
127.03951	3.5
127.11221	1.3
131.08574	4.0
133.10129	7.1
135.08067	1.8
135.11674	4.6
137.09605	2.4
139.11195	0.9
141.09070	1.2
143.08540	2.7
143.10680	2.1
145.04976	1.0
145.10132	8.1
147.11650	4.0
148.41611	1.0
149.09651	0.8
149.13286	1.6
153.09105	1.4
155.10649	1.3
157.10165	2.9
159.11702	6.7
161.13301	4.2
163.11150	1.3
171.11688	3.7
173.13277	3.4
175.11176	1.1
175.14812	1.7
177.16365	0.7
185.13260	3.4
187.14876	1.9
189.16389	1.4
199.14749	1.8
201.16362	3.6
203.17996	1.3
215.17896	2.0
219.17502	1.2
227.17860	4.3
233.18993	2.5
245.19028	6.5
251.19824	1.1
263.20087	10.4
281.21127	100.0
282.21439	1.7
299.22208	5.4
388.93350	0.8
401.74512	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	18.5
55.01875	17.6
55.05502	16.1
57.03441	17.3
59.44226	8.4
60.29389	8.6
62.00602	7.8
67.05507	50.8
69.03432	23.9
69.07057	17.4
69.20692	73.7
69.21105	22.0
71.04982	43.2
79.05502	92.8
81.03362	12.2
81.07059	59.8
82.89356	9.2
85.02894	44.3
85.06541	69.9
87.00842	9.0
91.05491	62.2
93.07066	52.4
95.04967	11.7
95.08594	37.5
97.02912	13.1
97.06521	41.4
99.08082	15.8
105.07022	65.8
107.08601	26.2
109.06506	15.8
109.10138	10.9
111.08101	16.6
117.07024	49.0
119.08571	38.1
121.06532	11.4
121.10168	22.2
125.09606	12.4
127.03909	19.0
128.06212	14.3
129.07007	41.7
131.08553	40.2
133.06494	13.3
133.10106	33.4
135.11671	31.3
143.08591	54.3
145.10098	37.9
147.08038	22.9
147.11699	13.2
155.08516	10.8
157.10130	26.2
159.11719	31.5
165.09094	21.4
167.08432	12.0
171.11768	19.9
179.10670	13.1
181.10143	17.6
183.11678	27.4
185.09665	16.9
185.13258	100.0
192.38052	8.7
199.14787	21.5
203.14308	13.4
205.16183	11.7
209.13260	38.3
227.14490	53.4
245.15372	76.5
263.16443	74.4
263.20038	28.2
281.21066	38.4
300.43942	10.7
351.15866	12.0
388.92429	11.0
411.69446	9.8
530.16858	10.5
552.53766	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	547.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	16.3
55.01873	12.0
55.05512	22.5
57.03422	18.2
59.04995	56.0
60.05340	7.7
62.36071	6.8
67.05509	44.9
69.03445	11.3
69.07061	30.7
69.18397	20.0
69.18802	47.6
71.04997	10.6
75.92763	7.4
79.05497	59.9
81.03425	19.3
81.07059	74.0
83.04989	16.3
83.08592	7.4
85.02896	39.0
85.06551	9.5
87.04478	9.3
91.05485	78.3
93.07051	56.0
95.04971	12.9
95.08603	48.1
97.02910	9.4
97.06567	14.5
99.03377	6.8
99.04436	14.0
99.08091	22.8
105.07039	80.2
107.04961	8.5
107.08578	41.5
109.06509	20.0
109.10148	11.4
113.09643	14.2
113.38851	7.8
115.03949	7.1
117.07018	25.7
117.09155	14.8
119.08607	23.4
121.06519	11.1
121.10146	20.9
122.25401	7.4
123.08067	16.3
125.09675	9.8
127.03928	12.2
128.06247	14.3
129.07008	42.8
131.08588	55.0
133.06537	35.7
133.10130	23.3
135.11697	20.2
137.05983	9.1
141.06941	10.2
142.07736	7.7
143.08583	55.0
145.10150	42.2
147.07999	19.4
147.11687	35.9
149.09657	15.4
149.13179	11.8
151.07593	35.6
155.08640	14.4
157.10156	19.9
159.11642	11.0
161.09491	8.7
165.09119	8.8
167.08589	9.0
169.10103	9.2
171.11720	17.3
173.09677	10.5
181.10124	7.5
183.11710	16.4
185.09677	6.9
185.13245	81.4
189.12781	11.0
191.10640	16.6
199.14838	28.8
203.14371	20.2
209.13229	16.6
217.15849	17.2
227.14262	24.4
229.05890	7.0
245.15372	100.0
263.16464	57.6
281.21213	28.8
368.27124	11.6
379.93674	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	546.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.4
53.87537	1.7
57.06839	1.5
57.07082	23.5
67.05494	5.8
67.18402	1.4
69.07053	3.1
70.61690	2.3
70.62041	3.5
71.08635	46.1
73.06539	1.7
74.06748	1.6
79.05466	2.6
81.07050	5.7
83.08572	1.6
85.10191	21.5
87.04459	10.9
89.06036	100.0
91.05479	17.5
93.07042	12.7
95.04953	4.6
95.08611	2.3
103.05421	3.3
105.07034	6.3
107.04946	4.7
107.08595	3.9
117.07021	3.1
119.04951	2.1
119.08572	5.3
121.06514	35.6
121.10185	3.7
127.14861	2.0
131.07030	1.9
131.08553	2.6
133.08609	62.8
135.08095	7.9
135.11708	2.1
147.08037	10.0
149.09633	4.7
150.06784	3.2
154.17041	1.8
163.11180	3.6
165.09100	18.9
167.10617	1.9
177.11256	25.0
177.12715	2.3
191.10628	2.4
193.12276	2.8
193.36568	1.7
209.11716	11.8
211.13371	3.4
221.13873	3.4
235.13313	2.1
247.20602	20.8
248.76923	1.8
253.14500	3.0
273.22089	3.0
291.23190	28.6
315.18018	3.7
335.25751	8.9
359.20691	3.0
403.23245	22.1
528.37756	1.7
529.37170	18.3
546.38879	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	547.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	14.9
55.05509	17.4
67.05519	34.9
69.03423	13.1
69.07069	18.6
70.60883	16.4
71.04966	9.9
79.05507	41.6
79.08932	6.4
81.03403	10.9
81.07060	67.7
83.04974	11.8
85.02898	28.4
85.06571	13.0
91.05476	48.4
93.07059	53.2
95.04974	13.5
95.08620	44.3
97.02853	12.1
97.06522	8.2
99.04481	7.5
99.08099	28.8
105.07042	83.1
107.08590	25.5
109.06489	9.4
109.10152	19.7
111.08074	8.4
113.09639	10.9
115.05418	8.1
117.07018	25.6
119.08617	38.7
121.06500	9.9
121.10172	11.0
123.08096	10.8
129.07022	22.1
131.08565	33.1
133.06526	15.5
133.10123	25.5
135.08040	14.4
135.11684	20.4
137.05896	7.2
141.07002	13.5
143.08557	40.1
145.10110	44.3
147.08044	18.0
147.11687	31.5
149.05949	7.8
149.13246	12.9
151.07521	25.4
155.08527	11.8
157.10112	20.8
159.11697	12.5
165.09059	10.3
169.10091	12.9
175.14673	8.1
183.11722	33.8
185.13245	48.5
187.11143	9.4
199.14882	18.5
203.10739	8.6
203.14372	12.2
205.12291	12.9
209.13315	17.4
217.15833	15.1
227.14301	39.4
245.15353	100.0
263.16449	47.9
281.17526	15.2
317.46735	8.1
343.01828	6.9
424.12915	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98851	0.1
55.05492	0.3
56.05030	0.7
57.03435	0.2
57.46389	0.1
58.06366	0.2
58.06625	0.6
60.08162	6.2
62.97267	0.1
67.05505	0.8
69.07054	0.2
70.06596	0.2
71.07373	3.4
71.23031	0.2
79.05497	0.5
81.07065	0.7
86.09706	31.5
87.10014	0.2
89.06067	0.2
91.05479	0.5
93.07072	0.4
95.05009	0.2
95.08617	0.4
98.98466	3.9
104.10738	3.0
105.07061	0.3
107.08614	0.3
113.56134	0.1
119.08527	0.3
121.10210	0.2
125.00006	22.2
138.93846	0.2
141.26686	0.1
184.07339	100.0
185.07695	0.3
258.11151	0.2
317.04501	0.2
412.92099	0.1
528.34229	1.0
546.35547	1.7
562.82056	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.5
55.05502	1.6
57.07083	22.6
67.05499	6.6
69.07066	3.0
69.17604	12.3
69.18022	2.4
71.08639	44.4
74.26130	1.4
79.05493	5.1
81.03436	2.1
81.07085	3.0
82.07399	1.5
83.08620	3.4
83.36932	1.4
85.10187	23.8
87.04470	8.5
89.06041	100.0
91.05489	15.2
93.07046	11.5
95.04966	3.6
95.08617	1.9
102.48560	1.5
103.05444	3.2
105.07060	4.8
106.07392	1.6
107.04958	5.8
107.08601	5.3
109.10114	1.5
117.06995	3.0
117.09088	1.4
119.08561	7.9
121.06519	35.4
121.10139	2.3
127.14827	2.8
128.86592	1.6
131.07057	2.8
131.08559	2.0
133.08618	65.1
135.08043	7.0
135.11696	1.6
147.07990	8.7
149.09622	5.0
150.06810	4.1
157.39012	1.6
159.11823	1.6
163.11226	4.6
165.09137	19.8
171.87277	1.5
175.09721	1.8
175.11267	1.5
177.11250	21.2
191.10622	1.7
209.11670	10.3
211.13300	4.0
221.13857	4.3
247.20621	19.7
253.14221	1.8
261.08145	1.7
273.22089	1.9
278.01566	1.6
291.23206	33.6
297.16980	1.7
301.48428	1.9
307.32263	1.6
315.18149	4.1
317.24759	2.2
335.25781	9.3
359.20413	2.8
371.36090	2.2
401.91254	1.5
403.23282	20.0
528.37640	3.1
529.37427	16.5
544.60315	1.9
546.39014	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.4
55.01876	3.7
55.05505	4.9
57.03425	2.8
59.04987	1.7
59.53848	1.6
67.05509	10.4
69.03431	8.3
69.07084	8.3
71.04989	6.9
71.49738	2.7
76.19707	1.5
79.05505	9.5
81.03416	6.4
81.07066	21.8
85.02908	16.0
85.06544	9.6
85.07002	1.9
87.00832	6.3
87.04456	2.0
89.06020	3.1
91.03988	1.8
91.05501	9.3
93.07063	28.4
94.52809	1.6
95.04998	2.1
95.08609	22.3
97.02895	6.4
97.06537	13.9
99.04443	3.9
99.08089	2.9
105.01857	4.4
105.07035	31.0
107.08603	21.3
109.02882	4.6
109.10170	9.2
111.08102	15.4
117.07021	6.6
119.08595	35.6
121.09441	1.9
121.10169	17.7
123.08054	2.7
123.11685	3.3
125.09621	3.4
127.03959	12.0
128.06171	2.1
129.01849	1.6
129.06989	5.9
131.08606	15.2
133.06473	2.1
133.08603	2.3
133.10155	15.8
135.08060	1.9
135.11711	15.5
137.09618	2.6
139.29553	1.6
142.07831	1.7
143.08572	12.3
145.04973	1.9
145.09074	2.6
145.10141	35.3
147.11703	62.8
149.09618	3.5
151.11186	5.3
153.12749	5.5
156.09392	1.7
157.10153	10.8
159.02866	3.1
159.11703	31.0
161.13220	8.9
163.11186	4.7
165.12750	11.8
169.10120	1.8
170.10793	2.1
171.11670	15.0
171.13931	2.4
173.13286	3.9
175.14815	3.8
185.11642	2.3
185.13283	29.7
187.14833	33.1
189.12706	6.1
189.16580	1.6
199.14792	10.8
201.16400	16.9
203.14357	4.0
203.17912	1.6
205.16000	3.5
207.13765	3.2
215.17943	6.6
227.17964	54.6
233.18979	5.5
245.19031	100.0
246.19614	3.1
263.20084	46.3
267.29065	1.6
281.21100	34.5
297.24332	2.0
436.29129	1.7
453.01031	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.9
55.01867	3.2
55.05516	2.5
57.03431	2.9
59.04982	0.9
59.74245	0.7
61.02927	1.4
62.10442	0.9
65.03947	1.1
67.05503	6.8
67.23071	0.7
68.04340	0.8
69.03437	8.1
69.07075	4.9
69.43986	2.2
69.44405	4.2
69.66319	0.9
71.04985	5.7
73.02917	1.4
77.03941	0.9
79.05491	8.0
81.03415	9.2
81.07062	16.5
83.04975	1.0
83.08618	1.6
83.85495	0.9
85.02909	19.4
85.06532	6.8
87.00838	8.2
91.05489	9.0
92.81226	0.8
93.07053	18.4
95.04987	1.3
95.08611	18.0
97.02890	6.6
97.06524	7.7
97.10157	1.1
98.21554	1.5
99.04446	4.1
99.08090	2.4
105.01888	4.6
105.07037	20.4
107.08595	18.4
109.02879	5.4
109.06552	1.2
109.10162	7.7
111.08100	13.1
113.09624	1.0
117.01843	1.4
117.07034	2.8
119.08591	27.5
121.10152	12.9
123.08074	2.5
123.11702	2.6
125.09645	2.8
127.03923	10.6
128.06242	0.9
129.01837	1.0
129.06982	3.8
130.07780	1.0
131.08569	12.7
133.10150	9.3
135.11693	14.3
143.08569	9.2
144.09352	1.9
145.04941	2.7
145.10132	29.2
147.11696	54.1
149.09615	3.0
149.13292	2.0
151.11223	1.7
153.12775	4.3
154.53920	0.9
156.09419	1.4
157.10117	8.4
159.02893	3.3
159.11700	24.5
161.13254	6.0
163.11208	4.9
165.12747	9.1
169.10161	0.9
169.12311	0.9
171.11702	13.7
171.13824	1.7
173.13251	5.7
175.11105	1.2
175.14845	3.2
177.12817	1.1
183.11673	1.1
185.13258	20.6
187.14816	27.7
189.12744	4.7
193.15895	0.9
199.14803	9.8
201.16408	13.0
203.14304	4.6
203.18033	2.1
205.15855	4.9
207.13821	3.0
215.18051	6.7
217.15981	1.1
217.19572	1.3
219.17389	1.0
227.17943	44.6
231.04979	1.6
233.19077	5.1
245.19025	100.0
246.19374	1.9
263.20081	45.1
281.21133	38.5
281.24332	1.2
475.23096	0.9
504.88950	1.0
556.61877	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
55.01876	1.6
57.03424	1.0
59.04982	1.0
61.02919	0.8
68.99792	0.7
69.03088	0.4
69.03434	4.4
69.82133	1.5
70.08565	0.3
71.04994	0.7
73.02911	1.3
81.03419	4.6
85.02911	11.9
87.00837	5.0
87.04449	0.9
89.03946	2.4
91.03964	0.4
97.02908	4.3
97.06539	0.6
99.04453	1.9
103.48592	0.3
105.01878	3.8
109.02888	4.6
117.01923	0.6
117.03387	9.7
117.05490	1.3
127.03924	8.7
129.01826	0.5
131.03423	0.3
134.03633	0.9
135.04445	0.3
137.05972	0.5
145.02853	29.8
145.04829	4.3
147.02861	0.4
149.05995	3.0
159.02895	3.1
162.03183	1.8
177.05482	100.0
178.05841	1.1
186.05560	0.4
191.07106	0.4
195.06517	0.8
219.06561	0.5
231.05045	1.6
243.06479	0.3
281.10205	0.3
285.07535	0.6
298.14322	0.5
393.13449	0.4
421.11624	0.3
528.19324	0.3
546.19080	0.8
559.03113	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.4775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.4
55.05272	4.0
55.05513	44.3
57.03443	5.2
57.07075	17.5
67.05504	63.5
69.07070	67.7
69.90710	7.1
69.91101	5.3
71.04982	5.0
71.08607	3.6
76.95473	2.7
79.05482	28.1
81.03400	4.0
81.06597	4.5
81.07057	88.7
83.04996	3.3
83.08619	50.8
85.06538	5.3
85.10249	2.8
91.05482	15.3
93.07042	26.7
95.04961	3.0
95.08609	76.2
95.46053	2.6
97.06508	6.8
97.10167	48.2
99.08090	7.4
105.07044	19.6
107.08595	14.4
109.10155	43.7
111.08129	6.9
111.11721	21.5
113.09606	3.0
118.40695	2.5
119.08559	20.5
119.83043	2.8
121.10150	28.9
123.11722	20.0
125.09636	6.2
125.13253	10.8
131.08595	5.7
133.10152	18.4
135.11696	30.8
137.09608	3.8
137.13248	11.4
139.11154	4.4
147.11697	14.5
149.13269	4.4
150.51295	2.6
151.11205	5.8
151.14796	8.7
153.12711	5.1
155.10664	3.1
157.10138	4.4
161.13280	9.5
165.12756	8.1
175.14767	7.6
184.07314	7.3
189.16338	3.4
193.19518	3.0
211.13223	4.8
217.19556	27.0
228.99043	3.2
235.20572	44.6
239.23677	9.0
253.21642	100.0
257.24710	31.0
267.15857	3.3
271.22699	38.6
301.25134	5.0
335.25806	4.3
527.37207	9.5
545.38318	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	545.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02253	1.8
53.03949	5.7
55.01863	6.9
55.05515	33.5
57.03445	11.7
57.07076	5.0
59.04997	6.2
65.03947	3.1
67.05508	74.1
69.03421	3.9
69.07072	16.4
69.73181	3.4
69.73592	7.2
71.04986	5.0
71.08636	3.1
77.03947	1.8
79.05499	52.4
79.80241	1.5
81.03434	21.4
81.06592	4.0
81.07060	62.9
82.37417	1.6
83.04986	8.3
83.08620	23.5
85.06537	2.8
87.04478	2.8
89.06053	6.0
91.05482	48.4
93.07049	48.0
95.04964	21.6
95.08607	45.0
97.06526	4.2
97.10175	18.9
99.08094	2.6
105.07036	42.4
107.04955	8.4
107.08602	32.3
109.06513	6.8
109.10149	31.1
111.08092	4.0
115.05437	3.4
116.06206	1.7
117.07028	18.3
119.08588	32.9
121.06495	11.9
121.10149	17.0
123.08073	5.4
123.11710	9.0
125.09647	15.9
129.07001	8.3
130.07913	2.8
131.08586	28.5
133.06516	6.3
133.08588	5.5
133.10153	24.1
135.08095	8.6
135.11690	14.6
137.09633	4.7
137.13225	2.8
139.97760	1.6
141.07010	2.3
142.07785	2.3
143.08575	10.4
144.09283	1.8
145.06473	3.6
145.10135	19.9
147.08044	5.7
147.11696	15.9
149.09631	8.3
149.13280	6.4
151.07538	3.6
151.11205	2.2
155.08574	6.0
156.09444	2.2
157.10136	9.6
159.08090	2.8
159.11707	12.4
160.14467	1.7
161.09593	3.0
161.13297	7.9
163.11183	6.0
163.14810	3.9
165.09119	2.7
169.10123	3.9
171.11684	6.8
173.13206	8.6
175.11205	4.4
175.14783	4.3
177.11331	2.1
177.12729	2.4
183.11647	5.6
185.13272	6.2
187.11243	3.5
187.14871	6.5
189.11237	11.3
189.12749	2.7
193.12297	9.5
195.11719	1.9
197.13249	4.0
199.14888	4.2
201.16431	3.0
203.14339	2.5
211.13168	3.8
211.14992	4.1
213.16321	2.1
225.27621	1.7
227.12787	16.5
235.15079	2.2
243.21161	2.6
247.16954	2.3
261.22064	11.0
267.15945	20.7
285.22232	7.4
287.20178	3.3
291.23233	2.4
299.23636	2.6
301.25180	22.4
303.23047	3.3
317.24796	1.8
335.25848	18.5
359.25986	3.7
403.23676	2.4
417.31583	3.5
421.25922	4.1
435.27374	2.3
435.32709	7.7
453.33737	16.9
471.34702	12.2
509.36111	2.5
527.37427	55.6
545.30701	32.7
545.38312	100.0
546.38715	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	545.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.6
54.43042	1.5
55.01861	5.8
55.05510	34.6
55.11721	1.6
55.62018	1.6
56.26611	1.4
57.03428	8.6
57.07062	2.7
63.38223	1.5
65.03922	3.3
65.39811	1.5
66.72885	1.5
67.05505	70.6
67.69429	1.6
69.03419	2.5
69.07068	21.9
69.27412	6.3
69.27843	7.8
70.55395	1.4
71.04990	7.0
72.44050	1.6
79.05492	48.2
81.03413	23.3
81.07053	64.3
81.07536	3.2
83.04974	6.8
83.08622	22.3
85.02905	2.2
85.06528	3.5
87.04471	1.8
89.06037	2.3
91.05478	43.8
93.06485	3.0
93.07042	39.0
95.04967	21.3
95.08606	45.6
97.06535	8.2
97.10175	22.6
98.20728	2.9
101.77708	1.8
101.79832	1.6
103.05465	2.2
105.04570	1.7
105.07031	39.4
107.04970	6.9
107.08586	27.6
107.09225	2.8
109.06526	8.9
109.10161	24.6
110.01337	1.6
111.08069	4.6
115.05511	2.5
117.07018	15.6
119.08585	31.0
119.09382	2.6
121.06553	8.4
121.10146	22.5
123.08058	7.1
123.11724	8.7
125.09630	15.7
128.06256	4.1
129.07028	10.6
131.08575	28.6
133.06500	4.2
133.10126	21.9
135.08083	9.0
135.11700	13.4
137.09631	4.8
137.13255	2.1
138.75911	1.4
139.11201	2.0
141.07036	2.0
142.07738	2.7
143.08586	7.5
145.06500	2.8
145.10124	21.9
147.08055	5.7
147.11661	16.6
149.09613	5.2
149.13240	5.3
153.09117	2.7
155.08633	5.3
157.10112	12.1
159.08057	3.2
159.11707	14.4
161.09674	3.1
161.13252	7.4
163.11183	4.2
163.14873	3.8
167.08578	2.0
169.10149	4.6
171.11699	10.1
173.11926	2.2
173.13260	11.0
175.11113	3.5
175.14844	4.7
179.14346	2.2
183.11708	6.4
185.09564	2.0
185.13232	5.1
187.11250	3.9
187.14859	3.1
189.11229	9.8
189.12759	2.5
193.10611	1.7
193.12230	8.2
197.13309	3.9
199.14868	3.6
201.12750	2.8
201.16345	2.4
203.14450	2.3
209.13310	2.4
211.14880	2.4
213.16420	2.6
217.15956	2.0
223.14963	2.0
227.12729	14.8
233.15469	3.5
247.16919	2.4
261.18719	1.5
261.19601	1.9
261.22125	12.1
267.15884	23.1
273.18530	2.1
277.21548	1.8
279.23322	3.9
283.24426	2.5
285.22064	3.3
287.20047	1.8
299.23697	3.8
301.21942	2.8
301.25256	20.2
303.23016	1.6
317.24826	3.2
323.23526	1.9
335.25873	13.4
359.25589	2.7
403.25342	1.9
421.25897	4.2
425.51492	1.7
435.27594	2.5
435.32779	7.2
453.33804	15.1
471.34814	12.0
489.36136	1.9
509.36240	1.9
511.36652	1.8
527.37354	55.7
545.38391	100.0
546.48755	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39254	2.0
51.84510	2.1
53.03946	8.8
55.01869	7.7
55.05518	48.4
57.03455	10.8
57.07078	9.7
60.08162	3.7
65.03950	4.0
67.05510	94.7
67.85226	2.0
69.03451	3.8
69.07076	47.2
69.91219	5.5
69.91636	5.5
71.04996	5.0
71.08620	3.7
77.03942	3.3
79.05502	60.2
81.03426	22.3
81.07064	97.7
83.04982	6.7
83.08623	43.0
85.06558	8.9
86.09723	7.5
89.06046	3.9
91.05486	46.8
91.06024	3.6
93.07053	54.1
95.04488	1.8
95.05006	16.5
95.08617	72.3
97.06540	11.6
97.10184	45.0
99.08101	5.2
104.10764	8.0
105.07042	56.4
106.07394	3.3
107.04973	4.5
107.08602	38.1
109.06529	7.9
109.10167	44.4
111.08118	8.1
111.11732	9.3
112.80869	2.1
115.05479	4.1
117.07032	16.7
119.08591	36.4
119.09385	3.5
121.06470	10.3
121.10155	29.4
123.08088	7.6
123.11736	18.3
124.99966	3.1
125.09669	19.6
125.13259	4.4
128.06253	2.2
129.07031	12.1
131.08585	28.4
133.06540	3.3
133.10153	28.2
135.08078	9.9
135.11707	25.4
137.06102	2.4
137.09677	4.5
137.13283	6.3
139.11249	3.8
141.06972	2.8
143.08557	8.4
145.10124	18.3
147.08095	5.0
147.11667	20.0
149.09682	6.0
149.13264	8.1
151.11198	4.8
151.14822	5.2
155.08612	4.3
157.10185	11.0
157.12082	2.2
159.08064	3.7
159.11678	12.1
161.13264	15.3
163.11183	4.2
163.14857	4.1
165.12753	3.5
167.08566	3.0
169.10217	7.2
171.10368	2.8
171.11754	10.0
173.09659	2.5
173.13287	7.5
175.14871	6.9
179.14285	3.6
181.10207	3.0
183.11676	4.8
184.07365	11.2
185.13281	6.3
187.14853	7.9
189.11270	9.9
189.16463	4.0
192.98112	2.2
193.12245	11.6
193.19559	4.3
195.11784	2.6
197.13298	3.2
199.14973	4.4
201.16435	5.0
211.13258	4.1
217.16171	2.4
217.19531	12.3
221.15456	3.1
223.14899	3.0
227.12735	10.6
235.20589	22.2
239.23738	4.4
243.21156	3.2
245.19044	2.6
247.16937	3.4
249.14960	2.4
253.21643	49.1
257.24719	15.1
261.22211	12.6
267.15887	17.9
271.22714	17.1
285.22076	3.9
291.23148	2.3
293.07550	2.8
301.22137	4.0
301.25238	19.7
321.20804	3.6
335.25888	20.2
403.24991	3.0
417.31494	3.0
435.32971	5.2
453.33585	13.0
471.34805	10.2
509.36813	4.9
527.37549	49.2
545.38422	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71331	0.3
55.05505	0.7
55.05928	0.3
56.05045	1.6
57.03431	0.3
58.06592	1.6
59.07363	0.5
60.08167	17.8
67.05498	2.0
69.07069	0.4
69.92814	0.7
69.93196	0.7
71.06993	0.4
71.07375	7.1
79.05491	1.5
81.07063	0.9
86.09708	51.4
91.05488	2.4
93.07054	1.0
95.08617	0.8
98.21497	0.5
98.98468	4.2
104.10746	98.2
105.07041	1.5
105.11070	0.4
119.08588	0.7
125.00007	31.1
128.06232	0.3
131.08542	0.4
133.10124	0.4
169.95773	0.3
184.07344	100.0
185.07707	0.4
198.45663	0.3
218.39642	0.3
234.39526	0.3
254.79996	0.3
258.11145	1.0
274.36362	0.3
274.65063	0.3
391.15579	0.3
526.24884	0.4
526.32953	7.7
544.34009	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	544.4365
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98664	3.3
55.05507	6.0
67.05496	11.0
67.21034	2.9
69.07060	10.9
71.96613	3.1
79.05482	10.4
81.07053	29.4
83.08601	6.9
85.06538	4.2
91.05467	9.2
93.07030	12.3
95.08618	39.0
97.10143	6.0
99.04444	4.1
99.08094	14.3
105.07022	11.2
107.08586	19.2
109.10165	27.6
111.11722	3.8
119.08583	14.9
121.10139	18.9
123.11732	15.9
131.08545	7.3
133.10164	9.3
135.11732	18.4
137.11526	3.3
137.13237	13.0
138.81528	3.2
145.10123	31.5
147.11684	8.9
149.13272	16.5
150.13705	3.1
159.11707	15.6
161.13274	11.3
163.14819	28.7
173.13249	6.7
175.14919	7.1
179.14278	5.4
187.14882	9.7
191.17963	15.2
199.35085	3.6
201.16341	13.9
205.15916	7.7
205.19531	5.8
219.17419	30.6
229.19504	4.0
307.88956	3.3
393.35007	8.1
411.36218	100.0
538.87811	5.5
544.40613	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17913	1.7
53.03944	7.0
55.01876	5.8
55.05513	36.1
57.03433	9.9
57.07068	3.7
59.05016	1.6
60.08165	4.6
65.03951	6.3
67.05505	68.9
69.03428	6.9
69.07063	17.0
69.41029	1.5
69.93622	6.0
71.04999	5.1
71.07362	1.7
73.02909	1.3
79.05494	67.5
81.03420	46.1
81.07056	67.3
83.04984	12.1
83.08627	24.7
85.02909	21.2
85.06548	4.2
86.09706	19.6
89.06044	2.1
91.05481	53.1
93.07047	62.5
95.04974	22.3
95.08611	42.3
95.09179	2.7
97.02902	1.8
97.06535	5.7
97.10168	13.3
98.98493	2.1
103.05497	2.6
104.10728	2.2
105.04538	4.8
105.07035	52.2
107.04946	7.2
107.08595	35.4
109.06531	4.6
109.10154	15.4
111.04467	2.8
111.08083	9.3
111.81088	1.4
113.05988	2.9
115.05509	2.3
117.07012	11.7
119.07808	1.2
119.08587	34.2
119.09381	2.6
121.06524	5.3
121.10148	26.0
123.08080	5.0
123.11751	5.8
124.99993	16.0
125.09669	4.8
129.07024	11.2
131.08577	27.6
133.06520	2.7
133.10130	19.7
135.08083	2.4
135.11693	14.9
137.09630	2.7
141.07034	1.5
142.07755	1.9
143.08582	6.2
145.10112	13.1
147.08076	3.5
147.11696	17.5
149.09624	9.0
149.13329	4.2
155.08559	3.5
157.10132	15.4
159.11691	10.5
161.09663	1.6
161.13312	6.7
163.14821	2.8
165.12752	1.8
169.10120	3.7
171.11714	3.9
173.13303	4.3
175.11176	9.9
175.14832	3.4
184.07350	60.4
185.13347	2.5
187.14836	3.8
189.11238	3.3
193.12253	43.9
197.13306	2.0
199.14716	2.2
201.16479	1.7
211.13275	44.7
223.15045	1.9
227.12744	3.8
228.23279	3.2
243.21152	2.5
249.12708	1.6
249.15028	1.9
256.26364	3.0
261.22125	8.5
267.15891	7.1
301.25336	5.7
309.99149	1.6
317.24911	2.4
335.25980	6.3
385.55765	1.8
406.22617	3.9
435.32800	4.6
453.33621	4.3
471.34741	4.5
494.28030	1.6
509.36014	2.3
527.37518	23.1
545.38489	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.4
55.01874	2.6
55.05524	9.3
57.07066	2.5
59.04997	2.7
61.02932	3.3
67.05503	20.1
69.03434	14.9
69.07066	6.9
70.04077	5.0
71.05001	2.0
71.49957	3.4
73.02923	4.7
79.05494	16.5
81.03442	11.9
81.07056	47.5
83.04970	2.0
85.02903	37.9
85.06510	2.2
87.00838	20.3
91.05475	24.9
93.07040	46.2
95.04953	2.8
95.08611	65.1
97.02900	15.6
97.06528	9.0
97.10160	2.4
99.04461	7.8
101.06023	3.4
103.05466	2.7
105.01868	36.6
105.07034	67.5
107.08586	38.4
109.02898	12.7
109.06535	4.3
109.10152	26.1
117.07031	11.0
119.08585	68.6
121.06506	3.8
121.10150	17.6
123.08067	4.3
123.11681	9.2
127.03927	25.7
129.07005	2.0
130.07817	2.9
131.08582	23.1
133.10138	25.9
135.08018	3.0
135.11726	5.6
137.06004	3.0
139.07553	20.2
143.08557	7.1
145.04951	19.2
145.10129	61.1
147.08011	2.8
147.11682	22.5
149.09630	4.4
151.07532	13.5
153.09088	7.4
155.08531	2.0
157.10144	8.9
159.02934	5.8
159.11697	76.6
161.08124	2.1
161.13239	9.2
163.07602	3.8
165.09122	15.6
167.10725	7.9
169.10208	3.5
171.11679	4.1
173.13261	24.4
175.14822	2.7
177.09142	2.6
179.10672	5.4
183.11717	4.9
187.11194	4.4
187.14804	10.5
189.03947	2.4
191.10718	6.8
197.13222	4.7
199.14891	9.9
201.16383	100.0
205.12267	10.3
215.17963	11.9
224.10670	2.4
225.16473	10.0
231.04959	10.2
243.17476	28.7
249.06119	4.2
261.18527	79.8
278.21194	3.2
351.19968	2.2
406.17511	2.7
407.17740	4.3
431.90027	2.0
477.11499	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	544.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03672	2.8
53.03937	10.3
55.01868	7.7
55.05524	6.3
57.03438	8.8
57.07095	4.2
59.04997	6.4
61.02922	6.7
64.30814	3.3
67.05506	4.0
69.03430	26.3
69.07072	4.1
69.22093	31.0
71.04984	8.4
73.02903	9.6
79.05471	7.6
81.03413	37.8
81.07059	19.2
85.02384	3.8
85.02911	79.3
85.06560	3.8
87.00835	32.4
91.03924	4.6
91.05483	18.9
93.07066	15.0
95.08621	28.7
97.02897	31.0
98.20777	5.3
99.04478	21.3
101.06010	7.6
102.30590	3.1
103.03933	10.8
105.01878	28.5
105.07035	51.0
107.08579	13.8
109.02881	35.4
109.10136	12.9
113.41016	3.0
115.49855	2.8
116.14291	3.5
117.07019	7.2
119.08591	75.9
121.10123	7.5
127.03915	50.8
129.01852	4.3
131.08554	8.9
133.10129	10.7
139.07616	3.7
143.08551	9.3
145.04959	25.3
145.10112	23.5
147.02939	4.3
147.11665	10.7
149.02335	5.8
150.02652	4.5
150.42892	4.2
151.11151	3.8
155.08458	4.7
157.10098	7.6
159.02867	20.4
159.11691	22.7
161.13266	9.4
165.09062	4.9
169.10124	22.2
173.13237	11.1
181.36423	3.0
183.11699	11.0
186.19931	3.3
187.11226	3.2
187.14894	3.8
197.13274	7.5
199.14740	3.8
201.16371	30.2
217.12331	3.4
225.16408	23.5
231.04971	15.6
231.33701	2.8
233.65970	3.7
239.07930	3.2
241.15988	3.5
243.17505	29.8
250.06406	3.5
259.16931	11.9
261.18518	100.0
363.61227	3.2
568.48969	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	544.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17722	0.1
55.05520	0.1
55.98060	0.1
56.05036	0.6
57.03404	0.1
58.06312	0.2
58.06637	0.4
59.07388	0.1
60.08164	6.1
64.52987	0.1
67.05499	0.5
68.83753	0.1
69.07111	0.1
70.06572	0.1
70.38316	0.3
71.07374	3.5
74.22961	0.1
79.05505	0.4
81.07051	0.3
86.09705	32.0
87.10060	0.1
91.05486	0.5
93.07048	0.3
95.08610	0.1
98.21346	0.1
98.98462	3.5
104.10745	3.5
105.07036	0.2
107.08605	0.1
117.07085	0.1
119.08498	0.1
125.00005	22.7
133.10086	0.1
135.18562	0.1
184.07339	100.0
185.07678	0.3
203.34425	0.1
221.19543	0.1
223.00412	0.1
232.50798	0.1
258.10995	0.2
361.27548	0.1
526.32800	1.0
544.33862	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.6
55.01863	4.7
55.05273	1.8
55.05516	24.5
57.03432	3.6
57.07070	2.4
59.05019	1.7
65.03928	1.9
67.05511	36.7
69.03432	2.4
69.07061	11.0
69.26021	1.4
69.84157	2.9
69.84550	3.2
70.60959	1.4
71.04984	3.6
79.05502	28.3
81.03408	5.8
81.07064	30.5
83.01354	2.0
83.04982	6.1
83.08619	13.2
85.02895	1.8
85.06559	1.6
87.04451	2.8
87.22775	1.5
89.06040	13.1
91.05489	22.6
93.07051	27.0
93.07635	1.7
95.05000	8.7
95.08612	20.4
97.06566	3.1
97.10184	13.5
98.20169	1.3
103.05501	1.6
105.07036	67.9
105.88148	1.2
107.04977	5.0
107.08598	20.0
109.06511	2.0
109.10175	10.5
111.04441	2.3
111.08127	1.9
115.05462	1.7
117.07040	15.9
117.20956	1.7
119.08620	14.3
121.06506	5.6
121.10152	10.2
122.12948	1.6
123.08100	3.5
123.11693	2.9
125.09659	10.5
128.06210	2.5
129.07021	8.0
130.07805	1.3
131.08597	21.1
133.08624	5.4
133.10133	10.6
135.08087	2.9
135.11725	10.3
137.09572	2.1
141.07008	3.0
143.08592	8.4
145.06468	2.5
145.10132	16.1
147.08043	6.6
147.11682	6.8
149.09637	1.4
149.13257	1.9
153.07051	1.6
153.09146	2.0
153.12787	1.8
155.08588	5.3
157.10107	8.2
159.11703	12.1
161.13261	3.6
163.11186	8.3
167.08662	2.0
169.10139	5.2
171.11717	6.6
173.09653	3.2
173.13315	4.6
176.68726	1.4
177.11267	2.9
181.10083	3.3
181.12254	2.5
183.11728	6.0
183.61334	1.3
185.09706	1.4
185.13304	4.8
187.14784	3.1
189.11250	4.8
193.12262	1.9
195.11705	2.0
197.13316	4.6
199.11258	1.4
199.14859	3.3
209.13348	1.6
211.14857	1.8
213.16620	1.8
221.13445	1.8
223.14684	1.4
225.12753	2.0
227.12749	7.8
259.20490	2.5
261.22092	2.4
267.15994	2.2
283.20587	1.7
285.18488	1.4
299.23682	12.5
301.21582	1.7
317.24887	2.4
325.21710	1.3
327.23676	1.7
333.24286	2.9
357.24069	1.4
415.30270	1.6
433.31076	4.5
451.31909	8.7
469.33231	6.3
509.50446	1.4
525.35852	17.3
543.36890	100.0
544.37781	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67186	0.8
53.03939	2.9
55.01872	4.9
55.05514	26.8
56.37241	0.8
57.03428	3.9
57.07079	2.2
59.04993	2.3
65.03940	2.1
66.33435	0.8
66.96707	0.8
67.05506	34.8
69.03425	2.3
69.07072	10.5
71.05000	4.4
71.49567	0.8
79.05495	27.5
79.90114	0.8
81.03419	6.8
81.07058	31.7
83.01379	1.2
83.04989	5.0
83.08619	13.3
85.02903	1.8
85.06526	1.6
85.12534	0.8
89.06008	2.0
91.05483	23.7
93.07046	26.3
95.04971	6.2
95.08606	17.0
97.06541	3.8
97.10168	15.0
103.05515	1.1
105.03407	1.0
105.04537	0.8
105.07031	21.4
106.37905	0.8
107.04955	3.2
107.08595	18.1
109.06506	2.4
109.10152	10.4
111.04445	1.4
111.08080	2.0
115.05444	2.3
116.34618	0.8
117.07019	15.5
119.08579	14.9
121.06545	4.2
121.10149	8.2
123.08057	2.4
123.11709	3.2
125.09644	11.2
128.06258	2.4
129.07007	9.5
130.07777	1.1
131.08582	19.6
133.06519	1.4
133.10141	12.8
135.08060	3.9
135.11714	6.4
141.06978	3.7
142.07841	2.1
143.08560	9.7
145.06467	1.9
145.10133	18.5
147.08054	2.5
147.11687	5.5
149.09657	1.7
149.13289	2.6
151.11191	1.0
153.09108	1.8
153.12781	2.3
154.07756	1.1
155.08546	6.6
157.06454	1.1
157.10135	10.8
159.08084	2.1
159.11690	11.4
161.09679	1.6
161.13287	3.3
163.11197	4.8
167.08566	2.4
169.10101	6.1
171.08076	2.2
171.11684	8.2
173.09698	2.5
173.13220	7.2
175.11176	1.7
175.14844	2.9
181.10143	3.0
181.12291	1.0
183.11716	5.8
185.13257	6.2
187.11179	2.0
187.14813	3.6
189.11206	6.6
193.12175	2.0
195.11713	2.8
197.13292	2.6
197.48740	1.0
199.11234	2.0
199.14807	5.2
201.12903	1.3
201.16402	1.5
203.14230	1.0
205.15849	1.3
207.11732	1.6
209.13298	1.8
211.14850	2.6
213.12798	1.4
213.16295	1.2
221.13321	1.8
223.14908	1.8
225.16304	1.0
227.12729	8.2
227.14563	0.8
239.17929	1.1
241.19452	1.7
243.17686	1.1
248.15417	1.0
257.15469	0.9
259.20685	2.5
261.22241	1.5
265.19464	1.1
267.16034	2.6
271.17059	1.0
281.22736	1.2
283.20581	2.9
297.22165	2.6
299.20432	1.2
299.23676	11.7
301.21521	1.6
313.21359	0.9
317.24634	1.0
321.22217	1.0
333.24445	1.7
339.23203	2.5
357.24405	2.0
415.29984	1.4
423.32666	1.4
433.30972	7.5
451.32062	11.9
469.33218	6.4
487.34070	3.3
499.34039	1.1
507.34641	1.5
512.59363	1.0
515.36688	0.9
525.35724	21.1
543.36829	100.0
544.37170	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	543.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	1.2
53.03944	3.0
55.01868	3.9
55.05514	23.6
55.80146	1.0
57.03437	3.1
57.07076	3.4
59.04997	3.6
67.05508	32.5
69.03442	2.3
69.07072	11.7
69.23399	4.7
69.23826	5.2
71.05003	2.3
73.02903	1.0
73.06565	1.1
79.05498	31.2
81.03423	5.9
81.07062	29.8
81.92257	1.0
83.04975	5.4
83.08633	12.6
85.02928	1.7
85.06544	2.7
87.04485	2.3
88.03175	1.1
89.06040	10.0
90.06379	1.3
91.05488	24.3
93.07053	23.9
95.04956	6.9
95.07082	1.0
95.08610	17.0
95.09177	1.3
97.06547	5.4
97.10172	12.4
103.05453	2.2
103.55762	0.9
105.04520	1.4
105.07039	48.1
107.04958	4.1
107.08595	17.2
109.06527	3.4
109.10149	11.8
111.08081	2.6
115.05466	2.0
116.06257	1.4
117.07028	15.9
119.08591	17.4
121.06528	3.5
121.10141	11.5
123.08087	2.0
123.11722	5.2
125.09627	9.2
128.06245	2.2
129.06992	10.3
131.08569	17.7
133.06490	2.0
133.08611	3.7
133.10147	12.3
135.08066	3.9
135.11681	9.9
141.07010	3.2
142.07826	1.9
143.08600	9.0
145.06493	2.5
145.10127	20.0
146.80934	1.1
147.08067	4.6
147.11681	6.5
149.09656	3.1
149.13274	2.8
151.11209	1.5
153.09058	1.7
155.08588	6.7
157.10165	8.6
159.08115	2.6
159.11687	10.7
161.13289	4.5
163.11206	8.1
165.10558	1.1
167.08601	1.8
168.09410	1.4
169.10165	4.5
171.11662	6.5
173.09645	3.1
173.13278	8.9
175.11266	1.3
175.14835	1.4
177.11209	1.6
179.08574	1.3
181.10210	2.5
181.12282	2.1
183.11710	6.4
185.09637	1.7
185.13284	6.3
187.11192	1.7
187.14909	3.8
189.11176	5.2
193.10362	1.3
193.12207	1.5
195.11783	3.7
197.13278	3.5
199.14867	2.1
201.12743	1.4
203.14345	1.4
207.11713	1.4
209.11610	2.1
209.13354	2.0
210.13879	1.1
211.13203	1.8
211.14992	2.3
213.12869	1.1
213.16353	1.6
221.15591	1.1
223.14903	2.2
225.12880	1.6
227.12781	14.9
227.14682	1.6
237.16443	1.6
243.21198	1.2
259.20483	1.6
261.22168	1.6
265.14517	1.6
265.19595	1.4
267.16000	2.2
277.21600	1.6
283.20676	2.6
299.23694	11.1
301.21600	1.8
317.24887	1.5
333.24246	2.8
339.23358	2.7
357.24466	1.9
415.29971	2.1
433.30942	5.4
451.32083	10.3
469.33203	6.5
487.34106	2.0
507.35172	2.5
515.37689	1.5
525.35876	19.6
538.38800	1.1
543.36859	100.0
544.37231	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	542.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.2
56.05047	1.4
58.06613	1.8
58.35017	0.9
59.04990	1.4
60.08164	17.3
60.99487	0.7
62.34824	0.8
67.05510	4.0
69.07050	0.9
71.07371	8.9
71.49502	0.8
79.05505	3.4
80.05829	0.8
81.07055	2.6
86.09708	52.4
89.06007	1.5
91.05479	5.4
93.07048	2.6
95.04964	1.2
95.08625	2.1
97.06536	0.7
98.98469	5.3
104.10748	100.0
105.07038	4.0
107.08624	2.6
117.07028	0.9
119.08588	2.2
121.10169	1.1
125.00008	32.4
131.08583	1.8
133.08568	0.8
145.10147	1.0
147.11682	0.9
171.11745	0.9
180.56378	0.8
184.07346	99.2
258.10880	1.2
498.29657	0.8
524.31342	7.9
542.32269	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	4.0
57.07084	34.0
59.05001	2.1
65.25593	0.5
67.05505	1.8
69.07069	2.0
69.92387	1.1
69.92796	1.8
71.08640	23.3
71.39263	0.6
73.06561	6.8
78.61072	0.5
79.05495	1.8
81.07073	2.4
83.08633	2.4
85.09669	0.7
85.10191	20.2
87.04485	5.1
89.06042	100.0
91.05489	1.9
91.07616	0.6
93.07050	2.0
95.08633	1.2
96.08902	0.6
97.10181	3.8
99.11734	4.0
103.03954	1.9
105.07043	2.5
107.07106	1.7
107.08609	0.9
108.29783	0.7
111.11750	0.8
111.34249	0.6
113.13314	1.4
117.09129	5.1
119.08590	0.8
130.08644	1.1
131.07002	1.0
133.08620	45.2
135.10178	0.8
155.17981	4.2
175.09695	0.7
177.11252	17.9
183.11813	0.7
199.20624	3.5
213.58733	0.6
221.13878	3.9
239.14929	1.2
243.23227	7.9
283.17596	1.3
287.25821	3.9
327.20200	2.1
328.21271	0.5
371.22754	5.2
384.45670	0.7
391.27939	0.6
437.35062	0.9
451.46191	0.6
481.37589	0.7
525.40204	6.7
542.40051	1.1
543.36963	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96474	0.8
61.85571	0.9
68.10499	1.0
69.03182	0.8
69.50688	6.0
98.21535	1.0
116.09678	0.9
139.79112	0.9
292.32697	0.9
300.28116	1.0
307.82346	0.9
347.12717	0.9
349.53708	1.0
363.06934	4.7
365.98984	0.9
371.32855	1.1
381.08038	11.6
522.41791	1.2
543.13245	100.0
544.13959	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.3
56.05032	0.7
57.03428	0.2
57.07076	0.2
58.06369	0.2
58.06624	0.5
59.04095	0.1
60.08166	6.6
61.06337	0.2
65.03914	0.2
67.05503	0.8
70.06593	0.4
70.54932	0.5
71.04947	0.2
71.07379	3.5
79.05498	0.5
81.07069	0.6
86.09708	31.7
91.05515	0.8
91.05986	0.2
91.15495	0.1
93.07047	0.5
95.04981	0.4
95.08626	0.4
98.98466	3.7
100.16886	0.2
104.10738	3.2
105.07037	0.5
105.41828	0.2
107.08590	0.2
109.10203	0.2
109.87270	0.2
112.88065	0.2
119.08593	0.3
125.00006	24.6
131.08542	0.2
133.10149	0.2
149.06027	0.3
163.01555	0.2
181.68709	0.1
184.07343	100.0
185.07695	0.2
228.23308	0.3
258.11093	0.2
288.47470	0.2
341.10165	0.3
524.31329	0.8
542.31812	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.8
53.03708	1.2
53.03950	9.8
55.01884	4.4
55.05515	30.2
57.03434	2.8
57.07079	16.6
58.06597	1.4
58.07404	1.7
59.05000	3.8
65.03952	5.1
66.04724	0.9
67.05508	79.9
69.03430	4.1
69.07072	20.3
69.94331	4.1
70.06595	10.8
71.04990	4.1
71.08628	6.7
72.08981	1.3
73.02921	4.2
73.06566	1.5
75.28647	1.1
77.03936	2.9
79.05498	100.0
80.06255	0.9
81.03436	10.7
81.07060	73.6
83.04988	10.3
83.08622	13.5
85.02934	1.3
85.06549	2.5
85.10206	4.1
85.93240	0.8
87.04441	1.0
88.07636	13.9
89.06050	1.8
91.05488	71.3
93.07050	82.1
95.04968	19.9
95.08614	48.8
97.06563	5.6
97.10169	6.1
98.20746	1.5
100.76631	0.9
101.06002	2.7
102.09187	10.9
103.05473	2.5
103.09509	1.3
105.04550	4.3
105.07038	86.2
106.07362	11.3
106.08650	1.2
107.04959	5.3
107.08601	33.9
109.06500	7.0
109.10156	16.0
111.08075	2.3
115.05482	1.5
117.07018	14.6
119.08590	30.0
121.06556	2.2
121.10149	22.4
123.08145	5.0
123.11720	3.0
125.09692	1.6
127.07581	2.1
128.06209	3.1
129.07019	15.0
130.07790	1.5
131.08568	14.4
133.06519	1.7
133.10149	15.2
135.08051	1.7
135.11703	10.4
137.09647	1.9
141.06985	1.4
143.08574	13.6
145.10124	16.9
147.08092	3.4
147.11697	32.6
149.13309	5.9
151.11177	0.9
155.08588	1.9
156.09399	1.4
157.10201	3.3
159.11690	5.2
161.09653	4.1
161.13272	14.1
163.11163	1.1
163.14830	1.5
165.09229	1.0
167.08612	1.1
169.10187	3.7
171.11700	25.1
173.13313	4.0
175.14870	1.5
177.05266	1.0
179.14345	1.5
181.10130	1.4
183.11760	2.3
185.13229	2.2
189.12750	9.1
191.14287	1.3
192.90849	0.9
195.11729	1.1
197.13292	1.7
199.14967	2.2
201.16391	1.1
207.13792	24.6
209.13322	2.0
211.09741	1.5
213.16432	1.4
225.14752	1.2
256.26389	21.4
257.26685	12.6
261.22266	3.3
263.16165	1.0
269.18915	1.2
274.27466	2.6
281.17487	2.3
283.26334	5.3
284.27094	5.0
284.29639	4.8
285.29889	3.9
311.29477	18.9
312.29840	13.8
312.33215	1.3
313.27176	1.3
315.23087	1.4
317.24890	1.2
335.25970	1.0
362.47891	1.1
411.96295	1.0
449.34375	2.6
467.35449	2.4
485.35889	1.1
523.37988	2.5
540.53461	15.9
541.39056	81.9
541.53754	69.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.6
55.01868	4.9
55.05514	21.7
56.66765	1.8
57.03428	4.8
57.07071	19.5
58.07405	2.6
59.04996	6.6
65.03917	3.1
67.05503	59.6
69.03407	2.0
69.07063	17.3
70.06598	8.6
71.08629	8.1
71.49599	2.9
73.02916	3.2
79.05492	63.6
81.03428	3.7
81.07057	59.9
83.04981	5.2
83.08601	14.5
85.06554	3.7
85.10187	3.3
85.86108	2.0
88.07641	15.5
89.06027	4.7
89.07951	2.0
91.05480	63.1
93.07044	53.7
94.47877	2.3
95.04970	17.8
95.08603	37.0
95.09161	2.5
97.06549	8.8
97.10155	3.2
98.47321	2.1
99.08112	2.5
102.09185	10.8
105.07043	27.9
107.04993	5.7
107.08587	24.3
109.06542	8.3
109.10164	13.6
111.08088	4.7
112.20785	2.0
115.05406	2.9
117.07016	14.8
117.09133	2.0
119.08578	28.6
121.06490	2.7
121.10129	24.5
123.08100	4.9
125.09643	6.6
128.06267	4.7
129.07008	23.2
131.08574	15.1
133.10130	17.5
135.08009	2.1
135.11736	10.5
137.09659	2.5
141.07101	2.2
143.08540	9.9
145.10139	16.0
147.08089	2.5
147.11671	15.0
149.13271	7.8
150.81244	1.9
151.46880	2.2
155.08562	4.8
157.10138	8.4
159.11684	10.0
161.13255	14.5
163.11263	5.6
169.10205	7.4
171.11693	20.9
173.13229	4.8
175.14925	2.7
175.80281	1.9
181.10217	2.4
183.10216	2.3
183.11734	8.4
185.13269	4.9
187.11206	2.9
187.14938	2.8
189.12846	8.3
197.13286	5.0
199.14894	4.3
207.13831	4.0
235.17094	2.8
243.21315	2.8
256.26288	22.1
257.26712	15.5
261.22247	5.3
263.16501	3.4
271.42847	2.0
275.27887	2.6
283.26450	5.9
284.26697	5.0
284.29657	5.3
285.29791	2.7
311.29333	18.3
312.29724	15.5
335.26038	2.7
449.34503	7.8
467.35309	2.7
523.37909	5.7
540.53400	21.7
541.39093	100.0
541.53705	81.0
541.62097	2.8
542.39612	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	11.9
55.01876	6.1
55.05514	24.0
57.03434	4.7
57.07073	15.3
58.99927	2.2
65.03962	3.5
67.05507	77.1
69.07068	20.9
70.06593	10.6
71.08626	11.1
71.49685	3.5
79.05497	100.0
81.03413	2.9
81.07059	73.8
83.05000	7.2
83.08624	12.4
83.53999	2.0
84.37188	2.4
85.06557	3.0
85.10205	4.4
88.07639	11.2
89.06030	8.1
91.05488	80.4
91.92789	2.3
93.07048	91.0
94.07366	4.2
95.04961	13.2
95.08614	50.2
95.09181	3.9
97.06563	9.3
97.10168	5.7
99.08128	5.6
102.09191	7.5
104.91267	2.5
105.04515	3.7
105.07033	42.5
106.07363	3.6
107.08590	32.8
108.09050	2.3
108.77107	2.1
109.06535	2.3
109.10152	15.8
115.05463	4.3
117.07025	25.4
119.08581	32.7
121.10145	49.1
123.08084	4.8
123.11768	3.8
125.09635	3.4
129.06972	12.8
130.05840	2.6
131.08569	23.4
133.08626	3.2
133.10129	21.9
135.08038	3.7
135.11693	11.8
143.08575	12.3
145.10135	16.9
147.11737	10.1
149.13240	3.5
155.08607	5.5
157.10162	11.8
158.85756	2.2
159.11752	8.0
161.13234	4.0
163.11284	2.5
169.10107	4.4
171.11729	10.5
173.13229	6.0
181.03062	3.0
183.11743	4.8
185.13307	3.0
189.16458	6.5
199.14864	6.5
204.55702	2.9
205.71091	2.6
215.18025	5.8
217.15968	8.5
231.17540	3.4
235.17036	7.1
256.26334	13.0
257.26633	11.9
283.26459	3.7
284.26767	3.3
284.29575	5.5
307.22656	3.1
311.29385	11.5
312.29761	15.2
322.17004	2.4
449.34518	5.7
467.34964	3.0
522.68866	2.9
523.37585	5.6
540.53491	11.1
541.39087	95.0
541.53705	63.5
542.12823	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	541.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54208	0.7
55.05502	1.6
55.93535	5.5
56.94312	5.5
57.56287	0.8
59.04985	1.3
61.02927	0.9
67.05510	2.1
69.03428	2.5
69.07045	1.3
70.95869	9.9
71.92997	1.9
72.93796	9.2
76.28301	0.8
79.05476	2.8
81.03411	3.3
81.07047	3.8
82.95822	1.0
83.77135	0.9
85.02898	1.8
88.96865	3.0
89.74553	0.9
90.94814	4.2
91.05474	3.7
92.47227	0.8
93.07019	3.0
95.04970	1.0
95.08596	1.2
97.02912	1.0
97.06531	1.0
100.96897	1.0
102.94791	0.9
105.07021	5.6
106.41337	0.8
107.04985	0.9
107.08560	2.8
113.96432	1.3
116.96440	1.3
117.07018	1.1
119.08603	5.2
121.10129	1.4
125.75092	0.7
128.96346	3.3
128.97255	0.8
130.81027	0.8
130.97920	2.1
131.08530	1.7
132.95856	5.8
133.10146	6.9
134.94415	0.9
138.98399	1.1
142.97874	1.7
144.95818	2.8
144.99402	1.0
146.97472	1.0
148.98923	1.1
150.96907	2.4
151.02017	0.9
152.99985	1.1
156.99475	1.1
158.97421	4.3
162.96918	1.8
163.01985	1.3
166.97920	4.2
171.01010	1.1
174.96942	4.2
176.98433	2.2
177.03560	1.2
178.97882	1.9
180.99504	2.4
182.97476	1.1
183.04674	1.4
184.98946	2.1
186.96864	1.0
189.03632	1.0
192.99515	1.9
193.03174	2.3
195.01057	2.1
198.96812	1.5
203.05247	1.8
204.06030	1.7
207.01067	7.4
208.98961	3.0
211.04097	1.1
216.97984	3.8
219.04646	1.2
221.02635	8.2
225.05739	1.1
234.98923	6.7
235.04085	1.5
237.02077	1.2
239.03694	1.6
249.02217	1.9
251.03635	4.6
255.08554	0.8
267.06607	0.9
271.07925	1.2
273.09235	1.9
275.10843	4.2
293.11996	100.0
294.12384	1.1
335.12921	2.7
439.20731	1.0
455.17383	10.2
537.40479	1.0
541.24036	0.9
541.33044	0.9
546.39099	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.5
55.01873	6.5
55.05509	3.6
57.03441	5.7
57.07065	1.6
59.05001	1.9
61.02928	2.8
65.03921	1.4
66.50079	1.2
67.05506	6.0
68.99778	2.1
69.03437	27.0
69.07072	7.1
71.04999	77.7
71.49516	2.1
73.02917	5.5
79.05492	5.1
81.02992	1.8
81.03425	20.8
81.07071	14.5
83.08619	1.7
85.02911	42.4
85.06540	5.3
87.00837	19.3
87.04478	1.4
91.03964	1.4
91.05480	4.1
93.07043	9.2
95.04958	2.4
95.08621	14.5
97.02904	12.9
97.06547	10.2
99.04467	7.9
105.01876	10.9
105.07042	11.0
107.08614	11.9
109.02895	21.4
109.10165	21.9
111.08090	78.0
115.03968	1.4
117.01838	2.1
117.07018	2.5
119.08598	11.4
121.10139	11.6
123.11726	10.2
125.09621	2.8
127.03927	29.7
129.01846	3.7
131.08591	4.0
133.10150	9.2
135.11748	6.1
137.13321	1.7
145.04971	9.8
145.10104	6.7
147.02899	1.5
147.11693	7.7
149.09613	4.6
149.13318	7.7
153.12741	1.3
159.02919	12.2
159.11685	7.9
161.13280	7.3
163.03912	1.6
163.11224	7.2
163.14818	2.6
164.86575	1.5
165.12837	1.4
173.13284	4.9
175.14859	7.4
177.12770	1.5
177.16479	1.9
179.14301	1.8
186.78149	1.3
187.14787	4.6
191.17976	1.8
201.09181	1.2
201.16437	6.8
203.17943	1.3
205.15944	5.9
215.17995	2.3
217.19591	3.2
219.17455	51.1
229.19539	2.8
231.05051	5.3
231.21140	1.9
233.18829	1.4
235.20566	4.6
257.22650	23.9
260.63013	1.1
275.23709	100.0
276.23904	2.2
293.24771	23.1
300.57852	1.2
317.24609	1.4
357.45908	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62777	0.8
55.01868	2.4
55.05513	5.3
57.03431	2.4
57.07079	24.4
58.06606	0.9
59.04996	1.5
67.05508	7.1
69.03417	1.6
69.07075	4.2
69.49489	6.3
70.06593	11.7
71.04992	6.6
71.08636	16.5
73.02906	1.9
79.05500	3.4
81.03418	1.9
81.07059	8.3
83.08633	5.3
85.10191	8.4
87.04448	1.4
88.07642	13.5
89.06036	12.0
91.05487	5.2
93.07042	2.2
95.08602	10.7
97.02898	10.9
97.06530	9.3
97.10162	4.3
99.04446	4.0
102.08692	0.8
102.09193	11.1
105.07021	5.6
107.04962	1.0
107.08614	1.4
109.02849	1.0
109.10155	4.7
117.07046	0.7
117.09153	1.0
119.08591	3.3
121.10136	1.5
123.11687	1.7
127.03948	1.4
129.07018	3.0
131.04951	3.3
133.06525	6.2
133.07727	1.1
133.08591	7.6
133.10150	1.0
147.08038	5.8
157.06505	1.4
165.09154	1.2
175.07542	6.7
177.11157	1.6
185.62030	0.9
191.82777	0.7
193.08618	5.6
205.19325	0.8
211.09680	2.4
224.17686	0.8
235.20656	1.3
239.23694	2.5
241.55280	0.8
253.21667	1.2
256.26364	29.6
257.24884	0.9
267.12302	10.1
273.92081	0.9
274.27481	3.2
283.26364	12.4
284.29523	11.9
302.30270	0.9
311.29468	30.1
313.27368	38.5
314.27884	0.9
324.57117	1.0
327.20181	3.0
383.28055	1.4
401.28888	0.9
505.35275	24.7
540.53534	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	24.3
55.13141	1.2
57.03424	1.4
57.07073	18.0
65.03908	2.2
65.88024	1.0
67.05504	75.6
69.07066	43.2
70.06587	9.6
71.04984	4.6
71.08638	7.8
79.03780	1.1
79.05493	25.3
81.07055	78.9
83.04992	1.8
83.08151	2.3
83.08619	27.7
85.06538	4.2
85.10168	3.4
88.07639	13.3
89.06032	6.0
91.05470	7.8
93.06484	2.3
93.07043	31.9
95.08607	100.0
97.06523	4.9
97.10163	29.9
99.08084	3.5
102.09174	9.5
105.07027	4.7
107.08597	17.0
109.10158	35.7
111.08083	3.0
111.11717	13.8
113.09627	2.6
115.07589	1.3
117.07066	1.4
119.08566	8.3
121.10143	49.2
123.08072	1.6
123.11692	12.2
125.09651	2.9
125.13280	4.0
129.09091	1.3
133.08575	4.1
133.10115	10.7
135.11688	56.6
137.09598	3.6
137.13214	5.7
139.11200	5.1
143.10664	1.4
147.11688	7.3
149.13226	9.8
151.11205	4.2
151.14838	3.3
153.12770	5.7
157.12270	2.8
161.13242	7.7
165.12761	3.7
169.12277	1.5
171.13855	1.7
175.14790	3.8
179.14330	4.0
183.13860	1.6
193.19482	2.3
197.15454	2.0
217.19516	28.5
235.20570	67.5
253.21620	57.9
256.26343	28.8
271.22681	4.3
274.27429	3.2
283.26166	6.7
284.29517	7.1
311.29434	28.3
327.20004	2.1
540.53522	77.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.6
53.03950	1.6
55.05507	0.3
57.07063	0.7
59.05003	0.7
67.05502	0.5
69.07053	0.3
71.08646	0.5
77.03926	0.8
79.05499	5.2
79.66813	0.3
81.07084	0.8
87.04474	3.1
88.07683	0.3
89.06034	24.8
91.04971	0.5
91.05490	4.3
91.80341	0.3
93.07049	3.6
95.04987	1.8
95.08611	0.7
103.05479	4.7
105.07036	100.0
106.07375	0.7
107.05003	0.6
107.07097	0.3
115.23220	0.3
117.07008	0.3
119.04947	0.9
119.08571	2.2
121.06509	18.1
128.06247	0.5
129.07014	1.3
130.08629	0.4
131.07036	1.1
131.08562	1.7
132.05647	0.4
133.08611	16.8
135.11699	0.3
145.10115	0.4
147.08051	8.0
149.09627	1.8
163.11288	0.4
165.09125	5.4
166.07726	0.3
175.09752	0.4
177.11240	3.2
191.10609	0.3
209.11755	3.1
209.13399	0.8
209.82797	0.3
210.12129	0.3
221.13835	1.2
223.11267	0.8
225.12769	3.8
227.12772	2.0
249.12892	0.4
251.14304	0.7
256.26483	0.5
257.81567	0.3
269.15442	2.4
271.15515	0.8
274.09882	0.3
284.29263	0.4
313.18018	0.6
315.18036	28.0
316.18256	0.6
325.90610	0.3
373.21652	0.8
375.40652	0.3
419.24332	9.2
523.30634	1.0
540.31659	0.6
540.39496	0.4
540.53632	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.5
51.77480	0.2
53.03951	1.7
54.80822	0.3
55.05511	0.4
57.07078	0.8
57.33455	0.3
59.04983	0.4
66.92368	0.3
67.05500	0.9
69.03438	0.6
69.07058	0.3
71.08627	0.4
73.06538	0.3
77.03920	0.7
79.05067	0.5
79.05497	5.3
79.22089	0.3
81.03436	0.4
81.07054	0.7
83.08588	0.3
87.04473	2.8
89.06033	23.2
91.05481	4.4
93.07039	4.1
94.18154	0.3
95.04992	1.7
95.08604	1.0
102.09132	0.3
103.05469	5.8
105.07032	100.0
106.07364	0.6
107.04957	0.5
107.07032	0.5
109.10153	0.4
117.07023	0.7
119.04951	1.5
119.08582	2.2
120.31821	0.3
121.06508	19.8
123.11729	0.3
129.07034	1.3
130.08626	0.4
131.07065	1.0
131.08548	1.9
133.08606	16.6
135.08070	0.4
145.06534	0.3
145.10095	0.5
147.08044	9.9
149.09604	1.9
163.07401	0.4
165.07016	0.5
165.09122	6.0
166.07849	0.5
175.09712	0.4
177.11217	4.0
179.08577	0.3
181.10172	0.4
191.10654	0.5
209.11684	2.6
209.13258	0.4
210.64243	0.3
221.13835	1.1
223.11307	0.7
225.12762	4.1
227.12784	1.8
230.42734	0.3
232.12567	0.3
249.12885	0.7
251.14388	0.9
253.14297	0.5
255.15874	0.3
256.26456	0.7
269.15298	2.2
271.15414	0.9
275.37305	0.4
311.29459	0.6
313.18137	0.9
315.18027	31.2
373.21716	1.2
375.21512	0.4
419.24286	11.0
523.30420	1.1
540.40173	0.5
540.53241	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	0.9
69.03423	2.2
69.85327	0.9
69.85636	4.7
79.05473	1.2
81.03403	1.4
81.07037	1.4
83.04956	1.1
85.02916	8.4
85.29167	0.8
91.05474	8.0
93.25221	0.8
94.04174	1.2
95.04940	2.8
97.02895	3.0
98.21483	1.3
99.04460	1.5
103.05481	1.1
105.07025	2.5
107.04951	2.3
109.06511	1.7
110.85602	0.9
111.04417	1.6
119.04934	6.8
121.06484	1.9
121.38036	0.9
122.03642	2.1
125.40257	0.8
127.03893	1.3
129.07002	4.9
131.04994	2.1
133.06453	1.6
135.08046	2.0
136.05200	1.8
137.05984	32.3
145.04924	1.4
145.06488	1.7
149.05971	4.3
151.03856	1.7
151.07549	43.7
157.06494	4.6
161.05956	6.1
161.09592	1.1
163.07570	10.7
165.07007	2.0
165.09167	3.0
167.08578	4.4
174.06798	2.5
174.96165	0.9
175.07562	2.0
177.09081	5.2
182.07190	1.2
189.09108	14.1
193.06546	2.2
193.10143	2.8
195.08058	11.8
203.08627	1.1
207.10146	2.2
209.09628	1.6
210.06723	1.6
221.05969	3.6
221.09647	3.1
223.07541	4.4
224.08136	1.7
225.09123	2.9
227.10651	14.1
237.09012	1.2
238.06178	1.2
240.07939	1.2
241.08607	1.2
249.09149	2.9
253.08595	5.9
253.12178	6.7
255.10147	12.8
260.31018	1.0
267.10184	2.4
269.08154	1.1
269.11658	1.2
272.10419	2.1
281.11710	3.0
284.10471	1.2
285.11218	10.0
287.12805	24.2
297.11401	1.5
298.12091	1.3
299.12744	1.5
301.14291	0.9
311.12784	1.8
313.14337	26.1
314.34085	1.0
331.15399	100.0
332.15677	2.2
333.12231	0.9
343.15347	3.9
540.88959	0.9
554.98419	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87473	1.5
57.03429	1.9
61.02908	1.4
69.03425	5.9
70.93337	3.0
71.05022	1.8
79.05470	1.4
81.03408	1.5
81.07076	1.3
85.02908	16.5
87.33025	1.4
91.05475	12.2
95.04969	1.9
95.33511	1.3
97.02893	4.5
99.04491	1.4
103.05449	2.2
105.07043	1.9
107.04957	4.8
109.02878	2.2
109.06495	2.3
111.04423	2.1
115.05461	1.5
119.04971	7.5
121.06552	3.5
122.03645	2.4
123.04430	13.7
123.06648	1.3
127.03895	2.4
129.07016	5.8
130.75615	1.3
131.04933	2.5
133.06464	2.1
135.04416	4.6
135.08037	3.4
137.05977	53.2
139.03868	2.8
143.04967	2.0
145.04951	4.6
147.04420	5.2
149.05995	5.7
151.03894	1.9
151.07544	58.1
153.07057	1.7
157.06480	6.0
161.05974	12.5
163.07521	15.9
165.07024	7.2
165.09116	2.6
167.08604	6.4
174.06757	3.2
175.07570	6.1
177.09059	2.1
178.07761	1.6
179.07100	2.3
179.08554	1.6
183.08051	1.6
188.04764	2.0
189.09082	20.6
191.07092	4.3
193.06523	8.5
193.08243	1.4
193.10100	1.8
195.08070	10.8
203.07079	5.8
209.09706	2.3
210.06760	4.2
211.07533	13.4
212.08269	2.3
221.06024	13.4
221.09641	5.8
223.07533	7.0
225.09157	9.4
227.10709	16.8
234.06725	1.4
235.07602	3.1
237.09160	1.4
238.06264	4.0
239.07025	30.5
240.07764	2.9
249.09142	4.4
251.07060	1.6
252.07768	1.6
253.08629	23.0
253.12344	10.1
254.09334	1.5
255.10175	16.2
267.10162	6.7
269.08002	1.7
271.09662	85.9
272.10226	3.1
277.08810	1.8
281.11758	3.0
283.09537	2.6
285.11252	12.6
287.12781	36.1
295.09665	11.7
299.12759	1.7
313.10687	58.9
313.14362	37.8
331.11713	83.6
331.15436	100.0
401.13828	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54495	1.8
65.24363	1.9
69.03432	4.8
69.51328	6.4
69.51736	5.4
69.98351	1.7
76.94609	1.7
79.05474	3.1
81.03407	1.9
85.02913	18.2
91.05494	14.6
95.04950	2.0
97.02895	7.3
100.64409	1.7
103.05490	2.1
105.07011	2.7
107.04952	5.9
119.04964	10.7
122.03664	2.0
123.04462	14.7
124.10614	1.7
127.03911	2.7
129.06989	5.4
131.04945	4.3
133.06546	2.1
133.12041	1.7
135.04407	5.8
135.08060	3.5
137.05984	49.5
139.03943	3.3
143.04947	2.1
145.04897	2.7
145.06516	2.1
146.03687	2.0
147.04430	5.3
149.06018	8.7
151.03928	2.7
151.07553	58.7
157.06517	6.7
161.05991	18.6
162.07779	1.7
163.07547	12.9
165.06984	7.3
167.08598	6.3
175.07549	7.5
177.09123	3.1
179.07036	4.1
181.06580	2.5
183.08084	2.8
188.04750	2.4
189.09102	18.1
191.07013	6.7
193.06503	8.2
193.10103	3.3
195.08086	16.7
203.07033	7.9
206.07097	1.8
207.08104	2.8
207.10077	2.7
210.06747	3.8
211.07555	21.7
219.53442	2.0
221.06052	18.9
221.09584	8.5
223.07590	6.4
224.08420	2.6
225.09192	11.3
227.10661	20.2
235.07524	4.4
237.09169	4.4
238.06300	3.0
239.07022	37.5
249.09071	4.1
251.07085	2.2
253.08614	27.1
253.12164	8.8
255.06490	2.8
255.10170	15.6
267.10165	8.8
271.09671	100.0
272.10303	2.3
277.08713	3.0
279.06635	1.7
281.08234	2.4
281.11691	2.8
283.09625	2.6
285.11240	10.6
287.12799	36.2
295.09711	14.5
313.10690	73.7
313.14362	38.5
331.11716	86.8
331.15442	92.9
362.55405	2.1
482.80954	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54495	1.8
65.24363	1.9
69.03432	4.8
69.51328	6.4
69.51736	5.4
69.98351	1.7
76.94609	1.7
79.05474	3.1
81.03407	1.9
85.02913	18.2
91.05494	14.6
95.04950	2.0
97.02895	7.3
100.64409	1.7
103.05490	2.1
105.07011	2.7
107.04952	5.9
119.04964	10.7
122.03664	2.0
123.04462	14.7
124.10614	1.7
127.03911	2.7
129.06989	5.4
131.04945	4.3
133.06546	2.1
133.12041	1.7
135.04407	5.8
135.08060	3.5
137.05984	49.5
139.03943	3.3
143.04947	2.1
145.04897	2.7
145.06516	2.1
146.03687	2.0
147.04430	5.3
149.06018	8.7
151.03928	2.7
151.07553	58.7
157.06517	6.7
161.05991	18.6
162.07779	1.7
163.07547	12.9
165.06984	7.3
167.08598	6.3
175.07549	7.5
177.09123	3.1
179.07036	4.1
181.06580	2.5
183.08084	2.8
188.04750	2.4
189.09102	18.1
191.07013	6.7
193.06503	8.2
193.10103	3.3
195.08086	16.7
203.07033	7.9
206.07097	1.8
207.08104	2.8
207.10077	2.7
210.06747	3.8
211.07555	21.7
219.53442	2.0
221.06052	18.9
221.09584	8.5
223.07590	6.4
224.08420	2.6
225.09192	11.3
227.10661	20.2
235.07524	4.4
237.09169	4.4
238.06300	3.0
239.07022	37.5
249.09071	4.1
251.07085	2.2
253.08614	27.1
253.12164	8.8
255.06490	2.8
255.10170	15.6
267.10165	8.8
271.09671	100.0
272.10303	2.3
277.08713	3.0
279.06635	1.7
281.08234	2.4
281.11691	2.8
283.09625	2.6
285.11240	10.6
287.12799	36.2
295.09711	14.5
313.10690	73.7
313.14362	38.5
331.11716	86.8
331.15442	92.9
362.55405	2.1
482.80954	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93382	3.9
55.05507	9.4
67.05502	14.0
69.03419	11.0
69.07061	14.0
70.06596	100.0
71.04999	7.8
71.49123	6.4
72.08151	6.1
79.05495	14.4
81.03435	8.1
81.07065	35.3
83.08591	5.3
85.02892	13.1
85.06545	5.5
86.09705	5.7
91.05488	13.3
93.07044	27.5
95.04977	7.5
95.08608	24.0
97.02884	7.6
97.06538	11.2
99.04455	7.3
99.08071	5.2
105.07039	22.3
107.05008	10.0
107.08599	25.1
109.10150	14.9
111.08125	4.2
116.07091	6.7
118.47917	4.4
119.08618	13.6
121.06503	5.4
121.10156	19.7
123.11684	5.8
125.09672	12.9
127.03930	6.8
127.08662	21.5
131.08588	9.2
133.10138	11.1
134.10497	6.1
135.11722	8.9
137.05995	11.6
142.82581	5.2
145.10135	11.5
147.11739	13.8
149.09653	5.5
149.13284	10.5
155.08237	12.6
157.10097	6.2
159.11664	10.4
161.05977	6.5
161.13240	7.2
169.13403	20.8
171.11760	6.7
173.13254	11.4
187.11188	4.4
197.12946	14.2
220.17932	5.5
222.05869	13.9
269.22766	10.0
271.09579	8.2
272.16089	48.8
273.18503	11.2
273.86588	4.3
287.23795	7.6
291.19360	4.6
305.24759	12.1
313.10736	5.9
331.11420	6.1
341.19797	6.4
406.71765	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	539.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11419	0.3
59.25712	0.3
63.89704	0.3
69.03423	0.3
69.91629	1.8
70.06593	100.0
71.06940	0.5
72.08158	6.6
84.08120	0.4
85.02899	0.7
86.09710	4.4
91.05520	0.5
97.06492	0.5
98.21548	0.3
100.07604	0.8
105.07045	0.4
120.75686	0.4
121.10155	0.4
125.07131	0.5
125.09660	0.4
127.03907	0.7
127.08684	25.6
137.06015	1.1
137.07048	0.4
138.07909	1.3
141.88696	0.4
155.07095	0.2
155.08150	17.3
169.13365	27.6
175.10767	3.9
181.13387	0.8
183.14984	1.1
191.21191	0.4
192.32469	0.3
197.12862	15.0
209.12910	0.6
211.14395	1.1
215.14380	0.4
222.16029	1.6
240.17180	1.6
250.15536	3.8
252.13487	0.5
254.14973	0.6
268.16638	2.9
272.16055	56.5
273.16385	0.8
322.21082	0.4
337.22348	1.0
362.77957	0.3
365.21835	2.0
385.24368	1.9
436.29303	1.7
464.28802	2.6
539.32147	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	539.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84645	4.1
53.03949	6.8
55.01881	5.6
55.05507	15.6
57.03436	11.8
57.07077	4.7
59.05006	6.7
61.02939	42.5
65.03947	8.0
67.05507	39.7
69.03435	15.4
69.07064	11.9
71.04997	10.5
71.49165	8.9
73.02904	14.0
76.70658	4.4
79.05508	36.1
81.03409	14.9
81.07073	51.7
83.04979	4.9
83.08618	7.8
85.02916	31.8
91.03955	17.9
91.05487	41.3
93.07060	37.8
95.04955	5.3
95.08616	26.0
97.02904	21.5
97.06535	7.7
105.07056	42.9
107.08629	10.5
109.10163	10.8
117.07029	37.4
119.08633	27.3
121.10184	9.0
122.15537	4.3
123.08077	6.4
127.03904	9.2
128.06201	4.7
129.05475	10.2
129.07002	29.9
131.08577	51.5
133.10133	18.3
135.08073	5.4
135.11714	5.1
141.06990	14.1
142.07808	8.0
143.08582	19.1
145.10139	39.5
147.08011	7.3
147.11682	9.8
149.09613	6.9
155.08553	15.2
157.10143	14.6
159.11717	18.0
161.09570	10.8
161.13318	4.6
169.10178	29.4
171.11720	12.5
173.09697	6.0
173.13274	10.1
181.10143	5.9
183.11690	17.0
185.13274	7.6
187.11224	7.1
187.14838	9.9
197.13283	7.7
199.14909	5.4
201.12701	9.9
201.16386	15.7
211.14937	7.0
213.16188	5.0
229.16005	4.6
241.19360	4.5
243.21150	17.6
257.22583	6.6
267.21140	31.4
285.22147	53.8
303.23325	8.0
359.25580	5.9
360.12653	5.9
377.26880	100.0
465.29892	9.2
539.27594	6.4
539.34650	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	538.135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	8.0
55.05533	0.7
68.99783	1.0
70.06581	3.0
70.15302	1.6
70.15668	1.6
73.02921	18.4
85.02894	0.8
86.06618	0.7
86.09698	1.5
91.05471	2.8
103.05437	1.0
105.07011	0.7
107.04927	1.0
115.05442	2.4
117.07008	3.7
119.04961	1.1
120.08115	1.0
123.04398	2.0
129.07001	2.5
131.04945	1.2
133.02800	0.8
134.05983	0.8
136.07565	0.8
137.02420	0.8
137.05975	1.5
139.03891	1.5
141.07021	1.0
145.06502	3.3
149.02333	2.1
153.01826	1.5
155.08467	0.7
157.06409	0.9
161.05974	2.6
162.05446	0.7
163.03906	2.7
163.07587	1.6
165.01820	3.0
165.07036	1.4
167.08504	1.3
173.06013	1.2
175.03888	1.1
179.08600	0.7
181.06520	1.7
183.08002	1.2
186.57755	0.7
191.03436	0.9
195.08009	1.0
197.06018	2.1
207.02948	0.8
207.08112	1.1
209.05934	1.2
211.07579	1.2
213.05591	1.0
213.12292	1.9
214.30389	0.8
219.08208	0.8
221.06013	1.4
222.06911	0.8
223.07596	1.4
225.05339	0.8
227.06990	1.5
228.09250	0.8
235.07466	1.4
237.05556	1.1
239.07072	1.4
240.07762	1.7
242.05621	0.9
245.04465	1.6
249.08383	0.6
250.06367	1.0
254.08150	0.8
255.06496	7.7
256.09564	2.9
257.09970	1.0
260.08417	1.2
265.04883	1.6
266.05731	3.2
267.06476	5.9
268.07257	5.6
268.09720	1.2
271.05991	2.4
274.09964	1.0
282.07773	1.7
283.05936	2.1
284.09158	8.7
285.09534	2.3
287.07166	0.9
289.08435	0.8
299.10675	1.1
300.07849	0.9
301.08505	2.7
302.09406	3.5
303.10208	2.2
304.10919	0.8
310.07071	1.0
311.07663	1.0
312.07733	1.6
313.08694	1.6
315.10052	1.1
317.08218	2.0
318.08878	3.0
328.07974	2.9
329.08081	4.8
330.08871	5.3
331.09558	0.9
333.11218	7.7
340.07324	0.9
341.08041	1.3
343.09540	1.7
345.07440	1.4
345.11203	2.8
357.07504	0.8
358.08356	100.0
359.08743	3.3
361.10693	8.1
369.07431	1.8
371.09262	1.5
373.10718	81.6
374.11078	1.1
385.10242	0.8
387.08417	1.8
387.12656	4.5
395.08929	2.1
399.08636	2.1
402.07236	2.6
404.11520	0.7
405.13510	2.4
413.10236	3.9
415.11838	3.8
417.09888	3.9
423.08698	1.3
433.12814	29.4
441.09583	2.0
450.15625	2.5
458.12286	1.5
459.10791	5.2
476.13657	3.3
476.23343	1.4
477.05435	1.3
477.11823	18.5
494.14615	8.8
494.23721	2.7
520.21521	1.0
521.10431	1.1
538.13428	7.1
538.22308	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	537.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	12.1
55.01872	11.3
55.05508	12.3
57.03430	18.9
59.04984	12.7
60.75204	5.4
61.02930	56.2
61.43395	5.2
62.97890	6.0
67.05505	32.2
69.03423	19.7
69.07056	8.6
69.92815	5.2
70.13437	22.6
71.04984	10.6
71.08633	100.0
73.02912	23.6
73.04759	6.3
79.05493	35.1
81.03402	24.0
81.07070	33.1
83.04984	9.0
85.02917	50.0
87.04445	5.8
91.03948	26.1
91.05466	70.2
93.07052	29.3
95.04957	10.7
95.08606	20.1
97.02888	25.3
97.06548	8.9
99.08098	76.6
100.25269	6.2
101.02357	8.2
103.03970	6.5
103.05444	7.6
105.07046	36.4
107.04945	11.4
107.08607	10.9
108.12248	7.4
109.02866	12.8
115.05458	11.8
117.07034	54.1
119.08594	47.4
121.06494	30.7
121.10117	8.5
123.08041	10.6
127.03921	21.7
128.06258	9.5
129.05513	8.0
129.06993	23.0
129.89267	6.4
131.08556	17.9
133.10107	8.6
135.08105	7.2
141.07033	16.1
143.08575	22.6
145.04959	7.9
145.10136	12.0
147.08058	6.4
147.11638	6.1
151.11205	63.3
157.10118	16.8
159.11662	11.8
161.09615	12.6
167.05580	7.9
169.10103	27.2
184.07323	15.4
185.13193	28.2
187.11157	26.7
189.50504	7.1
199.14764	7.0
201.12697	8.7
203.14268	15.9
208.62675	7.2
217.15924	35.9
235.16924	13.1
283.20535	15.1
284.08432	6.0
299.06335	12.3
361.14771	6.2
375.25272	27.0
431.35654	6.1
519.26270	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	537.415
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78594	3.6
53.03942	10.5
55.02554	3.7
55.05508	26.2
57.03435	10.7
57.07079	59.9
60.48005	3.9
67.05172	6.5
67.05508	64.6
69.07083	28.2
71.08633	40.9
71.32156	3.6
71.49403	4.0
71.87302	3.5
79.05499	57.4
81.03409	11.1
81.07062	66.3
83.04962	10.9
83.08609	27.6
85.10191	23.0
91.05482	50.6
93.07052	54.2
95.04951	20.2
95.08616	58.9
97.10176	6.9
103.99387	4.1
105.07044	44.2
107.04951	12.5
107.08624	19.0
109.06499	9.6
109.10148	17.9
111.11706	4.7
117.07042	9.3
119.08579	21.7
121.06519	5.2
121.10129	6.2
123.08077	12.6
123.11732	6.1
129.07025	13.1
131.08563	7.0
133.06467	5.5
133.10129	13.3
139.07516	4.9
143.08524	6.0
145.10127	8.6
147.11708	28.7
151.07539	8.6
161.05992	9.3
161.09712	4.6
161.13235	8.2
171.11719	20.2
174.67619	4.0
179.07103	4.5
189.05428	3.8
189.12741	9.5
193.47394	3.9
207.13866	20.5
255.45074	4.9
281.17441	32.0
299.06049	5.1
312.20114	5.7
313.27386	71.9
378.35425	4.5
421.33133	9.1
519.33142	14.7
519.40454	100.0
537.37549	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	537.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	11.2
55.01862	8.4
55.05494	7.8
57.03435	10.5
57.07067	5.7
61.02918	8.2
66.51039	1.9
67.05508	16.4
68.99789	7.9
69.03436	57.0
69.07066	20.9
69.85028	12.0
71.05006	14.7
71.77485	1.8
73.02908	7.6
79.05488	6.2
81.03423	60.3
81.07051	24.3
83.04977	2.0
83.08611	10.1
85.02906	79.2
85.06091	3.1
85.06548	41.6
87.00838	32.5
87.04430	2.0
91.05466	10.0
93.07044	20.7
95.04971	3.7
95.08607	23.7
97.02892	27.8
97.06523	8.0
97.10161	3.1
98.20913	3.4
99.04450	24.2
102.99844	2.1
105.01872	13.1
105.07030	16.0
107.08595	24.9
108.41088	2.4
109.02888	59.8
109.06551	2.0
109.10166	34.6
111.04418	3.0
111.08096	3.9
117.01855	4.9
117.07017	2.6
119.08594	29.2
121.06512	3.0
121.10156	25.8
123.04376	2.7
123.11729	13.6
125.09625	3.2
127.03923	100.0
129.01862	3.4
129.07028	2.6
131.08543	8.5
133.10135	31.9
135.11708	12.2
137.05963	4.3
137.13229	2.8
143.08556	2.6
145.04964	19.1
145.10118	13.3
147.02898	5.8
147.11694	22.1
149.13225	8.4
157.10104	7.5
159.02895	15.0
159.11690	17.3
161.13264	15.2
163.14792	7.5
171.11723	7.1
173.13315	12.9
175.14838	10.7
177.05415	6.7
177.16402	3.0
183.11610	2.6
185.13292	3.6
187.14847	6.1
189.03955	3.1
189.16396	6.6
199.14842	3.3
201.16362	9.7
203.18001	8.5
212.89069	2.3
213.03925	9.3
213.16428	3.0
215.17955	7.1
215.71811	2.0
217.15837	2.5
217.19460	2.6
221.18938	2.1
227.17957	2.8
229.19531	10.7
231.04959	20.7
231.21104	3.4
233.19165	3.8
236.31038	2.0
245.22754	3.4
247.20572	5.7
269.22614	4.7
271.24246	26.2
283.23972	2.4
287.23669	4.5
289.25314	32.1
307.26459	3.8
340.77597	2.1
397.27490	3.3
501.28464	4.7
519.29559	4.9
537.23712	3.0
537.30530	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75589	3.2
53.03948	19.3
55.01863	10.2
55.05504	10.0
57.03422	9.1
57.07079	3.2
61.02912	5.6
67.05509	18.9
68.99786	9.4
69.03430	62.0
69.07047	24.2
71.04977	12.4
73.02917	7.4
79.05512	16.2
81.03422	69.1
81.07063	39.6
83.04973	6.1
83.08624	9.0
85.02908	100.0
85.06545	41.6
87.00841	38.0
87.04491	5.0
91.05474	12.3
93.07040	24.5
94.52979	3.4
95.04942	4.7
95.08607	29.3
97.02879	31.5
97.06550	7.8
97.10146	4.8
99.04450	27.1
105.01879	22.3
105.07033	25.4
107.08566	22.6
109.02885	55.9
109.06525	4.1
109.10163	55.3
111.04446	6.6
111.08047	4.3
119.08564	25.9
121.06540	3.7
121.10156	43.2
123.11716	21.1
125.09670	4.9
127.03922	99.8
129.01862	6.4
131.08543	10.4
133.10129	26.3
135.11682	14.8
137.05884	2.9
137.13264	6.0
143.08607	6.2
145.04961	23.8
145.10123	13.5
147.02829	5.2
147.11641	21.6
149.13246	14.4
157.10146	7.8
159.02853	23.2
159.11647	19.9
161.13264	12.9
163.14821	9.3
171.11688	9.1
173.13324	14.1
175.14824	10.1
183.66817	3.5
185.13269	3.9
187.14850	8.8
189.04021	5.4
189.16348	7.1
198.58928	3.7
201.16325	7.6
203.17943	7.1
213.03966	7.5
213.16504	4.2
215.17981	9.3
225.16286	3.5
229.19614	7.6
231.04959	22.7
231.21066	5.4
241.50706	3.7
247.20584	5.3
269.22873	4.1
271.24210	29.3
287.23676	5.1
289.25253	35.1
329.25067	4.8
501.28320	5.7
519.29156	7.5
537.29993	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	537.3036
Annotation	Lys Phe Asp Lys
Peak:m/z	Relative Intensity
61.23986	0.3
63.24079	0.3
67.05502	0.7
69.07090	0.3
79.05486	0.7
81.07054	0.9
89.06026	1.1
89.33538	0.3
91.05492	1.1
91.36098	0.3
93.07061	0.7
95.08598	0.5
105.07011	1.4
106.93716	0.3
107.08546	0.4
109.06548	0.4
121.10123	0.4
125.09672	0.3
131.08652	0.3
133.08583	0.5
133.10175	0.4
135.11653	0.4
140.15463	0.3
169.15990	0.3
230.08025	0.3
291.02451	0.4
460.61343	0.3
537.30371	100.0
538.30774	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	537.307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	11.0
55.01862	8.2
55.05511	22.1
57.03435	7.6
57.07076	5.7
59.86827	2.9
61.02922	7.2
65.03957	3.1
66.00306	3.2
67.05502	39.4
68.99783	6.3
69.03437	38.5
69.07069	26.4
69.83824	11.9
69.84233	6.8
69.99635	2.6
70.75224	2.9
71.04986	11.3
73.02922	8.0
79.05489	27.2
81.03422	43.5
81.06605	5.4
81.07060	100.0
83.04977	9.3
83.08611	16.1
85.02908	47.9
85.06526	10.9
87.00835	17.1
91.05469	23.5
93.07051	48.9
94.70921	3.6
95.04948	18.1
95.07990	4.8
95.08607	65.8
97.02880	15.8
97.06512	7.7
97.10166	9.7
98.21431	4.1
99.04436	11.3
103.05459	3.7
105.01836	8.6
105.07033	33.6
107.04939	5.0
107.08600	45.5
109.02890	28.4
109.06537	4.7
109.10160	51.2
111.04448	20.9
111.11688	3.7
115.03936	4.0
117.06993	8.2
119.08588	25.9
121.06486	5.7
121.10159	37.2
123.04416	6.9
123.08050	4.8
123.11697	14.9
127.03934	47.7
129.01813	4.9
129.06985	7.0
131.08597	16.5
133.06516	3.9
133.10121	26.7
135.08081	4.4
135.11702	24.6
137.05951	8.5
137.09558	3.3
137.13231	4.9
141.06985	3.6
143.08572	8.6
145.02901	3.7
145.04950	9.2
145.10089	20.4
147.02888	3.1
147.11699	16.3
149.13263	23.9
155.08548	3.8
157.10149	10.3
159.02908	6.1
159.08060	7.4
159.11723	15.5
161.09576	4.7
161.13263	11.5
163.11050	3.7
163.14755	8.2
169.10066	7.0
171.11732	7.7
173.09625	3.9
173.13263	8.5
175.14799	6.8
177.09064	5.2
177.16389	3.9
183.11641	4.1
185.13239	4.0
187.14684	5.9
189.03923	4.3
189.16383	6.5
190.08588	3.6
197.13327	3.5
213.03932	6.5
213.16331	5.0
229.19373	4.3
231.04929	6.2
259.24179	4.5
271.24176	10.5
287.23688	4.6
289.25128	14.7
300.18402	3.1
331.26447	4.1
347.26208	3.4
369.27887	4.6
375.10236	3.5
375.21658	3.8
379.25937	4.4
387.29385	3.1
397.27472	6.4
415.28259	4.5
433.29379	6.0
493.23993	3.8
501.28296	8.6
519.29443	12.3
537.30054	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	536.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	13.4
55.01875	17.5
55.05510	33.9
57.03436	61.8
61.02911	23.7
66.43694	9.3
67.05503	60.2
69.03436	26.6
69.07063	46.3
71.05003	13.6
71.47839	10.2
71.49635	11.1
73.02908	10.8
73.04759	24.3
79.05499	86.2
81.03413	34.4
81.07067	87.3
82.23904	9.2
83.04980	20.1
83.08617	24.0
83.34052	9.2
85.02904	39.1
87.00845	9.2
91.05437	64.8
93.07059	91.1
95.04965	13.6
95.08604	64.4
97.02894	17.0
97.06532	42.6
99.04442	15.7
103.03976	14.9
104.78677	9.9
105.07031	51.1
107.04949	14.8
107.08580	57.5
109.02928	14.4
109.06557	18.0
109.10164	37.4
117.07040	22.3
119.08584	41.0
121.10142	62.2
125.09678	10.4
127.03910	28.9
129.06979	19.8
131.08594	37.1
133.10175	30.0
135.08061	38.3
137.06017	12.8
137.09665	14.0
143.07098	13.1
143.08505	14.1
145.10139	33.6
147.04411	22.9
147.11696	11.6
149.09642	51.3
151.11252	11.2
153.09088	17.0
159.11705	15.9
161.13303	14.6
163.28743	11.1
167.05553	30.4
187.14906	12.1
189.12738	10.8
195.11655	10.3
199.14784	13.2
201.16444	29.0
211.14896	20.0
217.10652	12.6
227.12846	53.6
229.15910	29.2
241.14223	55.7
247.16904	15.9
283.02975	18.7
299.06198	52.3
315.70593	10.7
321.20679	100.0
339.21634	53.5
339.25449	32.4
536.30048	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	535.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	3.1
53.03947	3.4
55.01867	8.0
55.05512	40.5
57.03436	17.7
57.07078	7.6
57.86135	2.7
59.04998	7.7
64.48511	2.7
65.03960	3.9
67.05508	94.6
69.03455	3.3
69.07071	33.8
69.44669	24.5
71.04986	10.8
77.32602	3.2
79.05495	73.9
81.03432	22.8
81.07059	100.0
82.07379	3.1
83.04978	9.6
83.08617	23.3
85.06563	6.3
87.04491	5.9
89.06038	8.9
91.05476	67.5
92.04203	3.0
93.07050	75.1
95.04997	13.9
95.08616	77.1
96.08934	3.7
97.06520	15.3
97.10171	8.1
98.20636	3.0
103.03970	6.3
103.31528	3.0
105.07041	65.4
106.07362	5.0
107.04966	7.3
107.08594	48.5
108.80572	2.7
109.06528	5.7
109.10163	40.1
111.08080	13.7
115.66308	3.8
117.07050	21.0
118.64214	3.1
119.08583	45.0
121.06514	7.4
121.10145	30.2
123.08078	11.2
123.11730	9.0
125.06038	4.3
125.09615	5.2
128.06233	4.2
129.07024	18.8
131.08606	27.0
133.06508	5.4
133.10129	29.8
135.08051	8.4
135.11703	23.1
137.09637	16.2
137.13203	3.4
139.07565	4.8
139.11194	5.7
141.06982	3.3
142.07758	3.4
143.07060	7.8
143.08574	16.3
145.06543	3.3
145.10126	32.4
147.08037	5.6
147.11676	23.1
149.09618	11.8
149.13272	9.5
155.08571	5.5
157.08789	3.1
157.10138	13.2
159.11661	18.5
161.09663	3.2
161.13289	12.0
163.11205	7.8
165.09128	11.0
167.10658	5.0
169.02058	2.8
169.10135	8.3
171.11655	12.1
173.13315	11.3
175.09761	7.2
175.11136	3.4
175.14882	4.2
181.10127	4.4
183.11667	8.0
185.13280	9.4
187.14801	5.6
197.13339	5.4
199.09602	4.0
199.14877	5.8
201.16594	4.1
213.11197	5.9
227.12741	4.3
229.14313	5.0
231.12080	3.7
239.09120	3.4
239.12782	9.0
261.22134	4.4
273.18451	5.0
287.23666	9.0
289.21582	5.7
291.19577	3.5
299.06183	3.9
301.21436	3.3
301.25137	4.7
315.23169	5.0
327.23279	5.5
333.24411	5.7
335.25760	7.0
341.24799	5.2
363.25381	7.0
379.29944	4.2
389.28195	4.7
407.29453	17.2
425.30310	17.2
443.31149	16.1
489.35547	4.4
499.34387	34.9
517.35205	65.4
532.53717	3.3
535.36066	22.4
539.39063	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	535.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33005	3.8
53.03957	12.2
55.01876	12.3
55.05511	14.4
57.03439	4.9
61.02917	7.2
67.05504	17.1
68.99783	9.1
69.03433	61.0
69.07063	14.2
69.34625	28.8
69.35040	10.3
69.88882	4.3
71.04980	19.0
71.05341	4.5
73.02922	11.2
75.66692	4.8
79.05521	7.8
81.03421	61.6
81.07067	27.4
83.04973	5.0
83.08636	6.2
85.02907	100.0
85.06544	19.7
87.00832	44.1
91.03932	4.5
91.05482	12.0
93.07037	20.4
95.08611	32.0
97.02898	36.7
97.06528	5.5
99.04460	23.7
105.01862	26.3
105.07046	45.1
107.08593	26.9
108.47736	4.4
109.02895	58.6
109.06490	5.9
109.10152	48.8
111.04509	4.9
115.03899	5.5
115.55416	4.4
117.01857	7.2
117.06993	6.9
119.08562	27.2
121.10129	28.1
123.11726	14.5
127.03925	94.2
129.01883	8.4
131.08572	12.6
133.10129	27.0
135.11697	16.8
137.13251	4.5
143.08533	12.3
145.04942	27.4
145.10114	20.2
147.02899	5.1
147.11682	12.3
149.13249	6.6
157.10159	16.6
159.02943	24.9
159.11699	34.9
161.09676	4.7
161.13258	18.2
163.14763	5.9
171.11743	14.8
173.13297	24.9
175.14891	9.1
177.12723	5.5
183.11737	7.5
185.13237	10.5
187.14854	12.5
189.43387	4.4
195.11674	4.7
201.16440	7.2
211.14853	10.3
213.03911	9.7
213.16460	11.4
227.17963	12.2
229.19543	7.9
231.04999	16.7
241.19556	5.3
269.22699	35.5
271.24240	5.9
285.22086	12.4
287.23782	37.4
346.85141	4.5
405.10880	4.9
499.26776	6.8
517.28027	10.6
535.29199	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	535.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	18.5
55.01863	18.2
55.05502	10.2
57.03426	18.0
57.07079	8.5
59.04992	8.9
59.41581	4.0
61.02922	6.6
67.05512	23.6
68.99783	7.9
69.03432	64.9
69.07053	18.1
71.04986	9.6
71.48776	10.0
73.02908	17.7
79.05492	21.1
80.99024	4.7
81.03424	74.6
81.07058	46.4
83.08614	5.3
85.02905	97.9
86.09700	5.0
87.00829	41.5
91.03982	5.3
91.05466	24.3
93.07063	31.5
95.04958	9.0
95.08612	31.9
97.02890	38.7
97.06503	7.6
99.04457	23.6
104.10781	7.0
105.01883	36.8
105.07043	30.6
107.04958	7.4
107.08588	37.5
109.02888	66.3
109.06509	7.1
109.10178	21.5
115.05578	4.6
117.01839	9.4
117.07014	7.6
119.08608	30.4
121.06476	7.0
121.10147	14.3
123.04388	5.0
123.11739	5.0
127.03921	100.0
129.01862	9.8
129.07010	5.9
131.08540	14.7
133.10112	18.4
135.11649	8.9
142.07744	4.8
143.08534	12.5
144.09276	5.1
145.04958	38.4
145.10106	26.4
147.02959	5.8
147.11678	13.3
149.09630	6.8
149.13235	14.6
157.10089	14.9
159.02925	39.2
159.11699	22.4
161.09622	4.9
161.13268	14.8
161.98611	4.1
163.03914	5.6
171.11624	13.3
173.13297	16.1
175.14761	4.8
184.07407	6.3
185.13222	7.8
187.14870	9.7
195.25403	4.7
199.14780	6.1
201.16479	8.6
203.17969	13.2
209.07996	9.5
213.16345	14.6
215.17786	7.1
231.05026	18.6
231.17409	8.4
259.24243	8.9
265.16135	5.3
269.22635	34.0
287.05453	6.5
287.23688	37.8
299.06180	7.7
497.62497	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	535.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	16.6
55.01868	11.7
55.05510	8.1
57.03439	10.3
67.05513	27.0
68.99789	9.4
69.03439	61.6
69.07069	19.7
71.04986	8.1
71.26100	9.4
73.02908	16.9
73.68585	4.4
79.05499	22.0
81.03423	70.3
81.07065	57.6
83.08643	6.1
85.02908	100.0
87.00830	45.2
90.53774	3.9
91.05476	31.1
93.07041	35.6
95.04957	7.1
95.08619	39.1
97.02899	41.9
97.06551	7.9
97.10187	5.6
98.21346	5.0
99.04455	18.9
105.01867	21.4
105.07034	47.2
107.08603	38.9
109.02891	65.4
109.10142	25.9
117.07001	10.0
119.08591	35.8
121.10148	25.2
123.04401	5.5
123.11732	5.6
127.03925	92.3
128.06215	5.1
129.01820	7.4
129.07022	7.3
131.08530	20.5
133.10133	29.1
135.07970	4.5
135.11696	10.5
142.07745	6.8
143.08546	20.3
145.04990	27.0
145.10127	31.7
147.02846	7.5
147.11714	21.7
149.13266	11.6
157.10124	36.9
159.02881	34.4
159.11703	31.8
161.13258	18.4
169.10150	7.6
171.11676	20.5
173.13280	21.3
175.14783	13.8
183.11603	5.9
185.13269	13.1
187.14833	11.6
189.16284	7.3
197.13383	5.7
199.14847	10.0
201.16336	6.2
211.14798	7.6
213.03896	5.3
213.16364	28.7
215.17953	13.3
225.16327	6.0
227.17880	9.4
231.05069	17.3
231.17377	8.3
239.18005	5.0
259.24359	6.1
267.21149	8.0
269.22644	96.3
271.24289	8.2
281.22784	4.5
285.22098	5.3
287.23694	45.3
395.26111	6.4
535.29742	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	535.1085
Annotation	2'-Hydroxygenistein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
51.02376	0.2
53.03946	1.9
55.01867	1.5
57.03438	1.1
61.02926	1.1
68.99792	1.3
69.03088	0.4
69.03433	5.5
69.68058	0.7
69.68484	0.8
71.04974	0.7
73.02921	1.6
78.33654	0.2
79.05483	0.2
81.02937	0.4
81.03417	7.2
83.01313	0.3
85.02908	11.1
87.00827	5.5
87.04466	0.3
91.03922	0.3
97.02888	4.0
99.04459	2.6
105.01301	0.3
105.01883	2.9
107.04946	0.4
109.02140	0.5
109.02883	6.4
111.00819	0.6
117.01845	1.0
121.02864	2.5
125.68351	0.2
127.03915	8.5
129.01811	0.6
133.02853	0.5
137.02333	0.9
137.06000	0.3
145.04950	2.6
147.02890	0.4
147.04422	0.5
153.01828	4.0
157.06468	0.4
159.01686	0.4
159.02899	3.8
161.05948	0.3
165.01830	2.0
171.04460	0.4
183.02905	0.8
185.05911	0.5
194.27736	0.2
198.84717	0.2
212.87544	0.2
213.05582	1.1
230.12651	0.2
231.04897	0.7
231.06715	0.6
241.04962	0.9
258.05316	1.1
287.05502	100.0
288.05817	1.3
329.06384	0.4
370.45377	0.2
395.07874	0.2
465.42035	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	16.3
55.01865	14.5
55.05503	10.9
57.03439	8.6
59.57728	3.3
61.02917	13.6
67.05511	33.3
68.99779	6.4
69.03429	67.3
69.07074	28.6
69.35301	33.1
71.05004	23.7
73.02909	13.3
78.85381	3.2
79.05497	20.0
81.03421	64.4
81.07050	29.8
83.04997	7.7
83.08619	7.7
85.02910	100.0
87.00832	46.6
91.03956	5.4
91.05496	25.6
93.07060	26.2
95.04984	7.6
95.08613	35.9
97.02893	42.8
97.06528	12.8
98.20725	6.9
99.04463	23.2
100.11273	4.2
105.01876	32.0
105.07030	39.4
107.08594	31.7
109.02888	65.9
109.10162	39.1
111.04406	4.3
111.08068	4.5
115.04008	5.1
117.01865	6.9
117.07017	10.1
119.08598	43.6
121.06534	4.5
121.10139	27.9
123.11716	14.0
127.03927	97.3
129.01863	8.6
129.07001	8.7
131.08578	25.5
133.10138	27.8
135.08029	4.3
135.11702	14.4
143.08577	15.3
145.04982	30.1
145.10109	36.2
147.02887	5.8
147.04402	5.7
147.11729	17.1
149.13319	4.4
155.08582	6.5
157.10132	26.9
159.02913	31.9
159.11676	30.4
161.13295	21.0
163.14787	5.6
167.39439	3.8
169.10156	12.9
171.11736	15.4
173.13258	19.1
175.14822	8.9
177.16434	5.6
181.10068	3.5
183.11713	16.3
185.13242	14.2
187.14796	12.7
189.16273	5.8
195.11626	6.0
197.13185	7.5
199.14854	12.4
201.16350	9.9
209.13240	4.5
211.14847	6.8
213.16406	18.6
215.17920	9.6
217.15817	4.8
227.17961	11.3
229.19550	12.0
231.04950	15.1
241.19472	9.1
243.21179	6.3
267.20929	5.1
269.22638	80.6
271.24231	17.1
277.79663	4.3
285.22150	14.7
287.23648	38.9
299.23669	6.0
311.23727	8.0
315.23367	4.9
329.24884	6.5
341.24902	6.0
377.24799	8.3
395.25970	7.6
413.27328	5.0
499.26846	14.9
517.27753	14.9
535.28876	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	534.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39732	4.7
55.01866	6.5
55.05514	28.7
57.07069	11.2
59.04992	9.4
65.03953	6.4
67.05507	95.3
69.07067	32.1
79.05499	42.0
81.07063	100.0
82.00833	4.1
82.07414	6.7
83.04955	7.1
83.08607	21.0
85.02896	7.3
86.09695	12.5
89.06058	7.7
91.05495	34.9
93.07050	43.7
95.04969	5.7
95.08609	90.6
97.06514	11.2
97.10147	14.8
100.00984	4.2
104.10139	4.6
104.10750	29.9
105.07033	51.6
107.08617	30.2
109.10181	41.4
111.11722	6.0
115.73936	4.5
117.07048	4.8
119.08586	22.7
121.10139	32.3
123.11739	24.5
125.09683	5.4
131.08527	6.1
133.10124	29.8
135.08037	8.2
135.11699	18.1
137.13206	9.4
145.10109	8.0
147.11676	12.6
149.13240	13.9
151.14827	9.3
161.13301	24.4
163.14836	9.8
165.16360	12.1
173.13380	7.5
175.14793	8.3
177.16400	5.9
184.07376	14.0
189.16357	7.7
241.01109	4.7
245.22675	68.8
263.23706	73.9
337.27301	52.9
475.22336	7.1
534.34784	16.3
537.36249	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	534.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46530	2.5
53.03936	7.7
55.01873	4.0
55.05499	9.6
55.05759	3.0
57.03445	4.3
57.07074	3.6
61.02909	7.3
67.05502	10.1
68.99774	2.3
69.03426	18.0
69.07063	8.4
70.55273	4.4
70.55643	3.6
71.04982	9.2
73.02920	14.2
79.05504	11.4
81.03429	20.2
81.07063	32.7
83.04986	2.5
83.08626	5.7
83.98727	2.2
85.02447	3.1
85.02910	38.4
85.06524	4.6
87.00825	20.4
91.05492	11.1
93.07055	22.3
95.07991	2.4
95.08609	41.8
97.02897	22.5
97.06520	4.7
97.10159	3.6
99.04433	7.2
105.01856	11.0
105.07048	19.2
107.08599	51.4
109.02890	16.9
109.06541	2.1
109.10162	27.7
111.08049	3.9
113.09679	2.5
117.07034	6.6
119.08595	17.8
121.10152	16.9
123.08099	2.4
123.11651	2.8
123.49625	2.4
125.09623	5.9
127.03941	22.6
129.06973	2.4
131.08545	10.6
133.10124	14.8
135.11708	14.3
137.09622	2.8
139.11169	8.3
145.05009	11.6
145.10170	10.6
147.11673	12.3
157.04106	2.1
157.10101	2.9
159.02908	11.2
159.11723	21.6
161.13293	7.5
163.14824	47.2
167.10686	3.8
171.11726	3.4
173.13269	10.6
175.14850	6.1
179.14325	2.2
187.14830	3.7
189.16393	11.7
203.17838	3.4
207.17488	4.7
214.08600	3.5
215.17961	43.4
219.98706	2.1
221.14977	2.4
231.04996	4.3
233.16713	2.7
233.19019	41.5
236.49333	2.5
241.59068	2.3
251.20081	100.0
268.13193	4.4
268.21381	3.3
286.14282	7.0
299.55957	2.5
435.01620	2.1
472.26111	2.6
490.28116	4.4
499.25513	2.7
516.12866	3.0
534.29352	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	534.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52175	0.6
53.03942	1.4
55.01873	4.9
55.05501	1.4
58.99589	0.7
67.05492	2.6
67.28618	0.7
70.06591	1.3
70.62531	1.6
70.62878	0.7
71.04993	1.3
74.00669	8.5
76.02213	1.3
76.04002	12.6
79.05489	5.3
81.03389	0.9
81.07060	4.0
83.05002	0.8
83.06106	2.2
84.04050	1.1
84.04508	13.6
85.02905	1.3
85.04036	13.1
86.09685	0.9
91.05486	10.9
92.01710	11.8
93.07046	5.5
95.04955	1.1
95.08584	1.0
97.06521	1.0
99.05573	1.2
105.07034	17.1
107.08583	1.7
109.06516	1.2
112.03966	6.4
113.03484	6.1
116.06175	1.4
117.06995	1.1
119.08583	6.6
121.10157	3.6
129.07050	3.3
130.05008	40.1
131.04523	14.1
131.08566	15.7
131.76564	0.6
133.06503	0.7
133.10155	6.4
135.04387	0.7
135.11711	1.4
137.02576	0.6
137.24684	0.7
139.03252	1.1
142.07799	1.0
145.06091	2.4
145.10109	2.7
147.04393	0.8
147.07983	0.8
147.11679	3.2
149.03818	6.1
149.09583	1.1
153.06592	0.8
155.44341	0.8
157.10097	2.0
160.00595	4.2
161.05899	0.7
163.11142	2.2
169.06104	0.9
175.11221	4.7
177.03294	100.0
178.01666	2.8
178.03363	0.6
179.04871	1.4
181.06157	2.1
181.12283	1.8
185.03827	5.5
191.10777	0.8
193.12234	1.8
195.04366	6.5
197.05803	0.8
209.11719	1.2
225.34322	0.7
231.04355	4.6
233.11728	1.1
249.05287	1.1
274.10284	1.3
288.06500	10.5
289.04791	1.3
306.07538	27.8
324.08594	2.1
387.15854	1.1
405.16904	1.0
409.08759	0.8
490.21045	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	16.2
55.88904	3.4
57.07077	3.9
67.05494	13.5
69.03427	4.5
69.07068	11.7
69.34384	13.3
69.34804	18.7
71.04977	5.6
73.02921	10.6
79.05484	13.9
81.03410	9.8
81.07053	36.7
83.08604	11.3
83.16316	4.6
85.02901	13.5
85.06516	10.0
87.00825	4.5
91.05474	15.5
93.07054	27.3
95.08614	48.4
97.02897	5.5
97.06527	7.6
98.20740	4.7
105.07033	21.1
107.08599	59.4
109.02903	5.1
109.10162	33.2
113.09647	4.3
114.10638	4.3
117.06993	6.5
119.08589	22.1
121.10150	33.9
123.11706	7.9
125.09658	8.4
125.89140	3.9
127.03928	13.5
131.08566	12.8
133.10132	11.7
135.11655	9.9
137.09648	7.8
138.11015	3.7
145.10129	15.9
147.11685	10.8
159.11699	25.4
161.45999	4.2
163.14832	80.0
167.10600	9.1
173.13278	11.7
175.14867	6.3
176.07114	4.3
181.15930	6.7
187.14836	7.6
189.16394	19.4
203.17976	4.7
205.02034	3.8
215.17990	47.5
233.19032	48.2
251.20073	100.0
269.12857	17.4
287.13992	17.3
317.37820	4.4
460.16388	4.0
514.53314	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	534.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.6
55.01873	4.3
55.05503	1.9
59.06122	0.9
64.34332	0.5
65.03920	0.7
67.05511	2.9
69.07076	0.6
71.04973	0.8
74.00671	7.6
76.02225	0.8
76.03604	0.7
76.04008	11.7
79.05494	6.3
81.07056	3.4
83.04974	2.0
83.06083	1.5
84.04511	12.0
85.02911	1.0
85.04033	14.6
86.09724	0.8
91.05492	10.5
92.01711	11.1
93.07049	5.4
95.04965	0.6
95.06025	0.5
95.08583	0.7
97.06581	0.6
99.05592	1.5
105.07037	16.9
107.06093	0.5
107.08586	2.1
112.03983	6.9
113.03499	4.3
115.05437	0.6
116.01688	0.8
116.06312	0.6
117.07007	1.0
119.08589	6.0
121.06522	0.5
121.10146	3.8
129.06813	2.0
130.05013	40.2
131.02875	0.8
131.04538	15.0
131.08582	13.5
133.10143	6.1
135.11658	1.2
139.03195	0.7
140.01605	0.7
142.07808	1.4
145.06133	3.0
145.10135	1.7
147.08018	0.7
147.11678	3.5
149.03816	5.3
149.09610	1.1
153.06592	1.6
155.08229	0.6
157.10104	1.7
159.02217	0.6
160.00687	5.2
162.02264	1.0
163.11176	2.2
169.06075	0.9
173.09482	0.8
175.11209	5.3
177.03302	100.0
178.01685	2.8
178.03326	0.9
181.06099	2.3
181.12221	1.0
185.03801	6.6
191.10703	0.7
193.12262	1.6
195.04338	5.9
199.07323	1.3
209.11758	1.0
231.04402	4.5
242.05913	0.9
274.10272	0.9
288.06512	12.9
289.04861	1.8
306.07562	28.0
323.07745	1.1
324.08615	1.9
369.14932	0.7
374.92416	0.6
387.15909	1.0
405.16965	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.4
55.01865	7.8
55.05282	2.8
55.05518	34.0
57.03437	10.6
57.07079	6.2
58.66589	3.0
59.05009	5.2
61.34507	2.7
67.05508	66.6
69.03416	5.1
69.06750	3.4
69.07064	21.5
69.99039	3.8
69.99329	14.4
71.04980	7.4
71.49677	3.1
77.03897	3.0
79.05496	87.7
80.05840	3.2
81.03415	11.2
81.07058	87.2
83.04967	10.8
83.08605	17.6
85.02935	3.8
85.06554	4.8
87.04490	3.7
89.06026	25.5
91.05483	52.0
91.06401	3.3
93.07050	70.3
94.07399	3.7
95.04975	10.9
95.08610	53.0
97.02854	3.9
97.06523	10.4
97.10167	11.5
99.08098	4.4
103.05477	10.3
105.07041	100.0
106.07373	4.3
107.04966	9.7
107.08588	39.1
109.06522	11.1
109.10194	23.5
111.08073	6.5
117.07024	26.9
119.08589	32.3
121.06503	7.4
121.10136	40.8
123.08073	11.3
123.11690	6.0
125.05955	4.8
125.09635	14.3
128.06187	3.1
129.06989	8.4
131.08589	38.5
133.06499	2.9
133.08580	7.5
133.10141	20.5
135.08051	13.3
135.11717	21.2
137.09628	4.8
139.11211	6.4
142.07816	3.5
143.08588	11.8
144.09306	3.2
145.06508	6.0
145.10156	21.4
147.08086	8.8
147.11678	17.8
149.09644	8.3
149.13306	5.2
155.08588	4.8
157.10164	12.5
159.11716	17.8
161.13222	7.6
163.07518	3.9
163.11143	18.4
163.14844	3.8
163.71521	3.4
169.10162	6.6
171.11699	10.7
173.13248	7.1
175.11215	3.8
177.09924	8.0
181.08594	4.3
181.12184	3.2
182.09126	2.8
185.11662	3.3
185.13222	5.3
187.14784	7.4
189.11237	6.0
197.13359	3.4
209.11693	3.5
213.16451	4.6
215.17912	5.7
221.09734	4.6
227.12759	21.7
227.17929	2.9
229.15985	2.9
233.18967	7.6
243.20853	3.1
245.13815	15.1
249.12776	10.8
259.20392	3.5
261.22162	6.8
271.20703	4.8
277.21429	2.7
283.15433	6.2
289.21506	7.6
307.22708	3.8
308.85498	3.0
327.17294	8.6
423.28903	11.0
441.29974	11.2
459.31491	5.2
487.34070	4.6
497.32617	12.7
515.33624	50.0
533.34711	70.9
552.19098	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	533.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50146	2.5
53.03940	8.8
55.01866	11.4
55.05513	34.8
57.03426	9.7
57.07075	3.8
59.05003	3.9
65.03938	3.5
67.05508	100.0
69.03411	5.6
69.07064	27.3
71.04983	8.4
71.48348	3.8
71.48740	3.4
77.03922	3.3
79.05496	92.4
81.03417	7.7
81.07059	81.4
83.04987	14.8
83.08626	15.9
85.02905	3.5
85.06554	6.5
91.05488	76.9
93.07047	88.1
93.07639	4.6
95.04981	16.7
95.08616	51.2
97.02877	4.2
97.06529	15.3
97.10172	15.3
99.08097	4.3
103.05475	3.8
105.07040	55.5
107.04958	8.9
107.08598	53.4
109.06512	11.9
109.10160	31.2
111.04445	7.8
111.08094	9.8
115.05466	3.9
117.07012	29.0
119.08582	43.1
121.06484	7.6
121.10138	35.6
123.08099	8.5
123.11716	9.5
125.06097	2.2
125.09654	9.6
128.06245	4.1
129.07025	13.3
131.08566	32.4
133.06483	5.7
133.10143	35.3
135.08069	12.3
135.11676	23.8
137.09645	7.1
139.11162	5.7
143.08565	10.5
144.09348	2.6
145.06502	5.4
145.10120	29.1
147.08081	3.2
147.11668	20.6
149.09608	24.5
149.13246	7.2
151.11200	8.9
153.09109	2.9
155.08618	5.0
157.10162	15.2
159.11671	18.5
161.09651	9.4
161.13225	7.0
163.11191	15.8
167.10756	2.7
169.10152	6.3
171.08049	2.7
171.11708	10.5
173.09679	5.1
173.11818	5.2
173.13292	10.9
175.11174	8.7
177.09120	2.8
177.12737	3.4
181.10139	5.9
181.12233	3.1
183.11644	6.2
185.09633	3.5
185.13242	6.1
187.11174	2.6
187.14793	4.9
189.11296	4.0
189.12808	5.9
191.10629	4.4
193.12405	2.6
195.11771	3.5
197.13301	4.4
199.11269	3.5
199.14819	5.1
209.11691	23.2
209.13364	4.4
211.13017	2.4
213.16313	6.4
215.17924	3.6
217.15985	3.0
227.12798	8.9
227.17862	3.6
229.14223	4.6
245.18933	3.8
249.18588	4.7
255.17493	4.0
257.19034	4.4
261.18521	4.7
263.16464	4.1
269.19040	5.3
273.18521	4.7
275.20142	6.0
283.15390	6.7
287.20068	10.2
305.21429	3.4
307.22943	3.9
347.22144	4.0
361.23770	3.1
405.28012	5.8
423.28879	6.2
441.30075	8.4
459.31201	6.9
487.34570	2.8
497.32693	7.5
515.33813	38.6
533.34802	83.1
534.35101	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.8
55.01871	9.6
55.05515	13.2
55.48594	1.9
57.03432	9.1
57.07077	4.8
59.04996	4.3
67.05508	59.9
69.07064	10.8
69.83926	3.9
69.84280	10.9
71.04991	4.3
79.05499	66.7
81.03397	2.4
81.07063	49.5
83.04967	4.5
83.08624	7.2
85.06516	2.1
88.35582	2.2
89.73341	2.2
91.05483	34.8
93.07050	55.9
95.04910	4.7
95.08063	3.7
95.08617	37.0
97.02901	6.9
97.06493	3.6
97.10167	2.6
99.04440	11.9
103.05453	2.5
105.07031	16.2
107.04977	16.0
107.07881	3.6
107.08606	60.0
109.10159	18.2
111.04430	4.5
115.05503	3.9
116.60487	2.4
117.07025	35.7
119.08594	20.0
121.06506	12.4
121.10146	18.0
123.11702	6.1
125.09679	4.5
129.06970	2.2
130.92767	2.4
131.08583	16.9
133.10130	8.3
135.08060	57.4
135.11703	14.6
145.06499	7.5
145.10141	9.8
147.11700	7.3
149.13292	9.7
153.09102	8.5
159.11717	8.6
161.13234	5.1
163.07555	47.4
163.14850	4.7
165.22331	2.6
168.61119	2.1
173.13260	6.3
181.08594	10.4
199.09668	100.0
213.88220	2.2
243.21126	9.7
255.12292	60.7
261.22147	48.1
275.68909	2.5
291.23123	2.5
317.24759	7.6
335.25836	51.1
335.51028	2.4
336.50281	2.1
441.30026	3.8
515.33386	23.2
533.34070	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	533.3479
Annotation	Quadrangularic acid G
Peak:m/z	Relative Intensity
51.13570	2.2
53.03932	8.3
55.01878	18.0
55.05512	27.9
55.47138	2.3
57.03444	14.3
57.07080	3.6
59.04996	4.4
62.53692	2.9
65.03931	7.6
65.50569	2.5
67.05510	80.8
69.07072	70.6
69.70480	14.8
71.04988	6.3
73.06557	5.0
74.52538	2.3
79.05495	97.0
80.69526	2.3
81.03423	22.7
81.07060	82.6
83.04978	8.5
83.08602	10.1
83.72563	2.4
85.02883	4.2
85.06538	4.9
88.37189	2.6
91.05488	91.8
93.07050	83.4
95.04967	10.9
95.08614	73.0
97.02846	3.5
97.06547	22.6
97.10162	8.8
98.21587	2.9
99.08040	3.1
105.04545	3.0
105.07037	59.3
107.04965	6.2
107.08603	57.1
109.06522	7.9
109.10165	29.8
113.63823	2.2
115.05458	10.0
115.07565	3.2
117.07023	46.9
119.08579	61.1
121.06516	5.7
121.10150	27.9
123.08082	6.7
123.11743	12.3
125.06006	15.5
125.09646	27.3
128.06183	4.0
129.07024	19.9
131.08583	41.6
133.06558	3.0
133.10139	38.7
134.67761	2.6
135.08060	35.7
135.11710	15.5
135.12549	3.2
137.09604	12.1
137.13266	3.2
139.07555	3.4
141.06952	6.2
143.07037	26.3
143.08575	16.1
145.06566	3.2
145.10115	35.4
147.08003	7.4
147.11679	23.8
149.09605	7.2
149.13237	10.5
153.09111	33.2
155.08568	9.6
157.10092	18.2
159.11713	24.6
160.37213	2.6
161.08131	5.5
161.09573	4.3
161.13248	12.8
163.07562	7.5
163.11151	3.6
163.14828	5.7
165.09123	4.6
167.08600	5.3
169.10143	8.3
171.11725	13.5
173.11899	4.0
173.13246	19.7
175.11229	3.3
175.14844	6.8
177.09259	2.6
181.08612	11.3
181.10130	3.8
183.11678	11.5
185.09615	3.0
185.13237	11.4
187.11238	6.3
187.14838	9.2
189.12833	4.8
189.16362	3.9
195.11650	5.7
197.13300	8.2
197.25424	3.1
199.09641	29.9
199.14781	8.2
201.12843	3.2
201.16380	3.9
209.13315	6.0
211.14919	5.4
213.12816	4.3
213.16298	2.8
217.10689	4.4
223.14888	4.6
237.16599	2.7
239.12660	3.9
239.18021	4.0
241.19586	4.9
243.21109	3.5
253.19458	3.8
255.12292	23.5
257.13779	3.1
259.20569	7.1
261.22147	22.3
277.21777	5.4
283.20627	4.2
299.23746	15.7
300.80667	2.5
301.21613	5.3
315.23071	6.8
317.24780	13.4
333.24066	6.3
335.25925	14.7
357.24203	2.9
375.25485	3.3
377.28171	4.9
395.29617	17.3
399.25522	4.4
405.27841	9.6
413.30649	4.7
423.28989	14.5
441.29886	14.2
459.31042	5.6
469.32944	4.5
479.30930	3.4
487.34033	8.0
497.32599	41.9
515.33679	100.0
533.34711	69.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	8.1
55.01876	13.8
55.05512	59.4
57.03445	10.2
57.07071	4.9
59.05007	4.8
65.03928	4.4
67.05509	70.4
69.03411	6.6
69.07068	26.7
69.93089	3.9
69.93475	4.3
71.04982	7.5
79.05494	71.0
81.03426	14.2
81.06599	4.1
81.07060	77.7
83.01337	2.0
83.04985	18.3
83.08624	32.3
85.02895	3.1
85.06529	4.6
91.04906	3.2
91.05479	57.9
93.07046	64.4
95.04971	14.5
95.08606	51.9
97.02861	2.5
97.06525	8.2
97.10169	39.9
99.04492	2.5
99.08066	3.0
103.05457	2.4
105.04552	2.3
105.06312	2.7
105.07033	55.7
107.04962	9.7
107.08599	45.1
109.06506	5.6
109.10159	21.5
111.04465	10.4
111.08070	6.1
115.05514	2.5
117.07025	27.4
119.08585	43.2
121.06506	8.6
121.10154	31.2
123.08064	7.7
123.11703	12.3
125.09628	32.5
128.06204	2.8
129.06990	21.0
131.08560	41.3
133.06531	4.3
133.10135	36.4
135.08067	11.8
135.10814	3.3
135.11705	28.1
137.09659	3.5
137.13240	3.2
141.07002	4.6
142.07758	3.9
143.08568	17.2
145.06511	3.7
145.09061	3.2
145.10129	35.7
147.08095	6.4
147.11668	21.1
149.09627	7.7
149.13266	8.9
151.11139	2.1
153.09106	5.5
153.12694	10.9
155.08563	10.4
157.10126	18.7
159.11685	27.2
161.09656	6.2
161.13254	9.6
163.11145	15.4
167.08618	2.7
169.10089	10.8
171.10283	4.0
171.11667	20.0
172.88667	1.9
173.09633	6.2
173.13242	15.1
175.11226	5.6
175.14890	3.5
177.12756	4.1
179.44147	2.0
181.10132	4.1
181.12236	9.0
183.11670	7.5
185.13240	10.2
187.11200	3.2
187.14825	7.0
189.11235	23.0
189.12758	4.2
189.16357	3.2
191.10683	8.2
191.14240	2.8
193.12234	4.6
195.11629	4.4
197.13275	6.3
199.14848	5.4
201.12753	2.2
203.14403	2.4
203.17987	2.5
205.19421	2.7
207.11617	3.0
209.11690	5.6
209.13367	4.3
211.13184	2.9
211.14897	3.7
213.16434	8.0
215.17937	9.4
223.14899	2.7
225.16386	2.6
225.56166	1.9
227.12738	31.0
227.17917	5.6
231.17502	7.2
233.19022	12.7
237.16284	3.8
243.21098	4.3
245.13898	4.3
245.19119	3.7
249.18588	4.4
251.14178	2.4
253.19571	8.1
255.17732	2.6
259.16965	2.5
267.16013	3.8
271.20544	23.5
273.18579	5.7
275.20145	3.5
283.15323	14.5
285.18640	2.2
289.21674	14.2
305.21130	4.8
307.22739	9.3
311.20059	3.2
325.21539	2.6
329.21301	2.2
387.26825	5.4
395.29590	3.1
405.27985	10.5
413.30746	2.9
423.28986	20.0
435.27374	3.3
441.30002	18.3
459.31012	10.9
479.31073	2.3
487.34244	7.9
497.32623	19.4
515.33673	100.0
533.34680	69.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	16.4
53.98280	2.6
55.01868	11.4
55.05517	21.1
57.03439	9.3
57.07075	2.9
61.02924	7.7
65.03953	3.4
67.05505	43.0
68.99781	8.0
69.03085	5.0
69.03431	63.1
69.07078	31.2
70.36091	6.2
71.04989	8.1
73.02917	11.1
79.05499	22.9
81.03420	66.8
81.07059	60.8
83.04962	3.8
83.08617	16.7
85.02908	77.6
85.06538	4.2
87.00828	40.9
87.04488	4.0
91.05479	28.3
93.07042	43.9
95.04968	18.0
95.08614	46.4
96.02042	3.0
97.02897	100.0
97.06525	9.5
99.04444	14.8
102.41792	3.3
103.03933	4.5
105.01839	16.3
105.07041	53.0
107.04971	5.4
107.08590	46.9
109.02878	58.5
109.06506	7.9
109.10160	66.0
111.04445	8.4
111.08125	4.7
115.03928	11.7
115.05486	5.1
117.01852	3.4
117.07015	15.1
119.08584	55.4
121.06522	9.2
121.10149	30.3
123.04439	4.6
123.08080	5.4
123.11723	20.6
127.03920	80.1
127.04831	5.5
128.06252	4.4
129.01892	4.7
129.07008	14.6
130.07797	4.7
131.08571	33.9
133.06462	6.4
133.10130	28.7
135.04395	3.0
135.08078	9.0
135.11694	15.8
137.06015	6.1
137.09630	8.5
137.13281	4.5
139.11162	4.8
141.06982	7.0
142.07747	15.2
143.08566	29.4
144.09370	5.8
145.04967	21.9
145.06258	3.5
145.10138	53.9
147.02951	3.9
147.08086	6.4
147.11708	27.2
149.09615	6.4
149.13277	8.1
151.11182	9.2
153.12798	3.4
154.07619	3.5
155.08577	13.9
156.09315	7.7
157.10141	58.5
159.02893	18.6
159.08035	8.5
159.11714	48.3
161.09622	10.3
161.13240	18.5
163.03867	4.0
163.11267	5.5
165.09120	10.6
165.12700	6.9
167.08482	3.9
167.10689	2.9
169.10106	26.5
171.11714	20.3
173.09605	10.9
173.13286	21.1
175.11218	5.7
175.14838	10.6
177.09109	5.3
177.12817	4.3
177.16371	4.0
179.08427	3.5
179.10645	8.3
181.10085	5.6
182.10938	5.6
183.07991	3.5
183.11673	20.1
185.13284	12.4
187.11237	4.3
187.14836	9.8
195.11815	5.1
196.12376	3.6
197.13316	15.4
199.11235	9.4
199.14854	12.3
201.12778	7.2
201.16383	8.3
203.14302	5.1
203.17970	3.1
209.13275	7.4
211.14842	20.4
211.59961	2.7
213.03958	5.6
213.12808	3.1
213.16371	11.8
215.14404	3.8
219.13774	4.2
225.12762	4.5
225.16479	6.7
227.14395	3.0
227.17941	3.5
229.15903	6.0
231.04971	9.3
233.15288	4.1
247.31007	2.9
257.22589	4.1
265.19592	5.5
267.21094	77.6
269.22708	10.0
283.20532	4.5
285.22147	38.6
303.23212	9.5
309.22031	4.1
321.24512	4.0
327.23325	5.0
334.26755	3.4
356.73483	3.0
375.23145	8.5
393.24280	11.5
411.25232	7.1
429.26501	10.0
471.27383	3.0
497.25284	10.3
513.43134	3.1
515.26282	14.4
533.27362	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	532.348
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30538	3.0
55.01858	3.9
55.05512	22.6
57.03433	5.8
57.07060	3.9
67.05507	82.2
69.03426	16.1
69.07069	17.9
69.73536	20.3
71.04995	5.2
77.03898	3.3
79.05495	76.2
81.03427	17.3
81.06599	5.9
81.07058	100.0
83.04980	7.6
83.08615	12.1
85.02898	15.0
85.06544	5.5
85.97574	3.3
91.05477	45.8
93.07041	89.6
95.04961	8.0
95.08005	3.2
95.08611	62.0
97.02895	8.1
97.06522	7.4
98.21507	4.0
99.04475	5.5
99.08086	4.5
105.07045	29.2
107.08593	44.6
109.02871	3.5
109.06510	5.6
109.10152	30.5
111.04472	3.8
117.07004	15.3
119.08591	25.4
121.06487	5.8
121.10136	39.2
123.08057	3.8
123.11715	13.9
127.03945	4.7
129.06995	8.5
131.08572	31.2
133.06509	3.3
133.10144	24.8
135.11678	34.2
135.97597	3.1
137.13245	5.8
143.08557	13.9
145.04987	5.1
145.06517	3.7
145.10132	23.8
146.18480	3.9
147.08101	3.9
147.11696	25.4
149.13277	23.7
151.11159	4.0
155.08426	4.1
157.10130	8.2
159.11711	22.5
161.09575	4.0
161.13266	14.9
161.51443	3.4
163.14816	14.5
165.28720	3.4
169.10118	5.7
171.11748	8.2
173.09560	3.6
173.13304	17.0
175.11139	4.9
175.14828	3.5
177.16360	4.6
183.11687	3.3
185.13329	5.3
187.14819	13.0
190.13046	3.7
198.52805	3.9
199.14720	4.3
201.16556	3.7
233.22684	4.3
241.19580	3.8
243.21005	18.1
259.20587	7.0
261.22183	66.4
277.21643	4.9
289.21655	5.2
291.23193	3.6
301.21521	4.3
303.23322	6.8
315.23105	4.9
335.25879	7.4
341.24826	4.4
345.24313	4.9
351.23044	4.4
353.26770	10.3
369.24161	20.5
387.25336	17.6
405.26270	27.2
423.27444	13.5
521.90771	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	532.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	8.6
57.07077	56.8
59.99098	2.4
67.05505	17.1
69.07065	14.2
71.08633	46.4
71.23125	1.4
79.05492	5.2
81.06599	1.2
81.07059	23.5
82.07360	0.8
83.08629	8.1
85.06541	1.9
85.10182	23.3
86.06051	0.9
89.05999	0.8
91.05485	2.5
93.07039	3.0
95.08611	36.0
95.74328	0.6
96.08939	0.9
97.06526	0.9
97.10162	7.0
99.11753	0.9
105.00081	1.2
106.06561	15.2
107.08604	1.7
109.10159	16.2
111.11753	6.3
114.03731	4.0
117.06994	2.1
118.07356	0.9
121.10173	1.4
123.11720	8.4
125.13346	0.8
131.08577	1.5
132.04796	36.3
137.13255	3.5
145.04263	0.8
149.09596	0.7
151.14827	1.2
191.17905	0.8
193.19530	2.1
197.14349	0.6
208.05367	1.2
211.20566	58.9
229.21538	1.0
280.11032	1.1
283.26321	100.0
284.26654	0.8
314.27789	1.8
342.24631	5.3
408.42334	0.8
427.29938	9.1
532.40466	2.6
554.84949	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03268	5.3
53.03939	11.5
54.60039	4.9
55.01865	17.7
55.05529	11.0
56.61196	5.5
57.03432	11.9
61.02924	7.4
67.05504	16.4
69.03431	48.8
69.07063	16.6
69.32229	29.5
69.32645	12.5
71.05019	5.7
73.02908	10.2
79.05495	22.2
81.03427	38.3
81.07047	34.6
85.02909	100.0
85.06552	42.0
87.00835	30.5
91.05487	16.2
93.07069	30.2
95.08614	35.3
97.02930	27.3
97.03474	4.5
97.06512	12.3
97.10155	6.6
99.04456	10.6
99.42855	5.2
105.01862	34.2
105.07037	15.8
107.08598	24.0
109.02915	34.1
109.10155	16.3
111.04412	6.1
117.01822	5.8
117.07000	8.1
119.08569	17.1
121.10145	17.5
123.11699	7.5
125.09645	6.8
126.21088	5.7
127.03931	78.3
131.08629	5.1
133.10114	15.5
135.11647	17.0
137.05966	5.7
145.04961	31.5
145.10123	9.3
147.11694	14.8
149.13260	36.1
157.10057	7.5
159.02866	18.0
159.11714	7.9
161.09624	5.7
161.13203	6.8
173.13300	6.5
175.14836	9.3
189.03909	7.8
213.03981	5.3
231.04939	24.4
231.21115	27.6
249.22255	26.2
273.06018	15.7
466.74921	5.1
532.26868	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.312
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65378	4.6
53.03947	11.5
54.31793	4.2
55.01874	18.5
55.05512	11.1
55.45731	5.3
57.03438	7.5
61.02940	8.2
67.05499	17.3
69.03439	40.2
69.07072	19.4
71.05003	10.4
71.49994	5.8
73.02918	7.6
79.05500	14.7
81.03418	41.0
81.07071	42.9
83.04974	5.7
83.08619	7.6
85.02912	100.0
85.06557	66.6
86.09714	7.1
87.00841	42.8
91.05478	16.0
93.07067	31.5
95.04965	5.1
95.08620	35.5
97.02883	38.6
97.06544	9.0
99.04455	16.6
105.01869	36.0
105.07047	15.0
107.08611	27.1
109.02899	38.0
109.10174	18.7
111.08002	5.3
119.08579	21.0
121.10149	28.5
123.11737	7.3
124.99974	7.0
127.03932	74.3
131.08589	11.5
133.10158	14.1
135.11679	15.7
137.06004	6.7
143.08543	6.4
145.04982	31.8
145.10054	7.6
147.11732	13.5
149.13263	60.7
157.10138	8.2
159.02888	26.1
159.11760	7.3
159.72437	4.7
161.13214	6.7
163.14796	10.5
173.13171	7.3
175.14824	9.7
183.11595	7.1
184.07350	21.5
185.13162	7.4
189.03908	9.3
189.16434	10.6
231.05016	15.7
231.21114	30.0
246.03090	5.8
247.20447	9.8
249.06100	7.1
249.22173	37.3
259.20734	6.7
261.22281	7.2
292.05710	5.5
434.35187	6.7
457.22144	4.6
479.26627	9.1
480.12015	5.1
497.27319	9.7
532.33813	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	532.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	11.1
55.01871	7.4
55.05510	9.9
57.03431	11.9
61.02911	15.1
67.05500	15.1
69.03429	44.5
69.07060	21.9
71.04987	15.2
71.49476	7.3
73.02924	8.7
79.05482	18.4
81.03418	45.4
81.07056	36.0
83.08620	5.9
85.02909	100.0
85.06550	53.8
86.09713	8.4
87.00822	39.4
91.03937	7.0
91.05488	22.4
93.07047	40.9
95.01884	5.0
95.05013	6.2
95.08607	30.7
97.02879	39.2
97.06522	11.2
99.04449	18.6
104.10759	4.8
105.01841	42.0
105.07058	16.6
107.08601	29.4
109.02866	32.7
109.10176	12.0
117.06994	8.9
119.08575	12.9
121.10148	23.9
125.00050	7.4
127.03930	76.1
133.10135	10.7
135.11699	9.9
136.30003	4.5
145.05017	28.5
145.10107	13.0
147.11688	12.5
149.13261	52.5
159.02881	15.7
159.11711	6.4
161.13245	8.1
163.04025	6.9
163.14844	10.5
171.08087	4.6
171.11862	5.8
173.09779	4.3
175.14911	7.9
180.24625	4.3
184.07320	10.9
187.14862	6.7
189.16457	8.0
231.04922	23.0
231.21085	25.4
243.21307	7.2
247.20581	17.9
249.06139	6.2
249.22081	34.3
339.23325	10.0
354.30817	4.9
392.58926	4.3
443.24332	5.8
446.64984	5.3
461.25336	10.6
479.26437	6.2
497.27448	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	532.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60038	2.0
53.03935	2.2
55.01870	2.7
55.05534	3.5
67.05510	5.2
69.03433	6.6
69.07076	2.7
69.19104	23.6
81.03425	6.6
81.07050	4.9
85.02910	16.1
87.00851	4.7
89.06018	4.1
91.05473	4.1
95.05001	2.5
95.08606	4.1
97.02898	8.6
97.06525	3.9
98.21568	3.8
99.04458	4.0
105.01856	5.2
105.07087	3.5
107.08596	3.7
109.02894	8.8
109.10111	2.5
117.06991	3.5
119.08602	4.0
127.03960	11.1
129.07002	2.2
131.08603	2.7
133.10121	2.5
143.08578	7.9
145.04915	4.5
145.10123	3.2
157.10159	12.5
158.10936	22.9
159.11690	11.6
162.06642	2.2
170.10973	11.2
171.11638	2.7
185.13274	15.8
213.12846	3.2
221.10948	36.0
249.10446	100.0
267.11423	16.6
273.06088	5.2
295.23410	2.7
358.78918	2.2
532.26312	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	532.276
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33782	1.3
53.03933	1.5
55.01863	3.1
55.05502	5.4
57.03424	1.9
59.05010	1.7
61.02919	1.3
61.40756	1.1
65.35345	1.2
67.05508	7.8
69.03446	2.6
69.07066	7.1
69.94829	1.3
69.95107	5.9
71.05002	8.5
73.02910	1.3
79.05498	7.4
81.03411	3.9
81.07067	12.1
83.08630	2.1
84.98038	1.2
85.02892	4.6
85.06514	3.8
87.00832	1.2
89.06049	2.4
91.03926	1.9
91.05475	12.7
93.07054	22.4
95.04969	2.6
95.08601	13.9
97.02911	2.8
97.06520	5.2
99.04457	47.7
99.08028	1.3
105.07030	19.8
106.04996	2.2
107.04948	1.9
107.08589	21.3
109.02888	2.3
109.06545	2.2
109.10159	5.2
111.08065	5.6
112.99969	1.3
115.05447	2.0
115.07575	2.3
117.07005	4.6
119.08580	10.6
119.41898	1.3
120.08127	1.2
121.10140	5.3
123.08022	1.6
123.11707	1.8
127.03907	1.7
129.06995	3.8
131.04744	1.2
131.08569	19.5
133.10138	100.0
135.08057	2.7
135.11708	19.2
137.05927	3.6
137.09561	2.5
139.07545	9.7
139.11156	2.8
142.07759	1.7
143.07042	1.5
143.08549	6.9
144.09277	1.2
145.06508	2.7
145.10149	8.6
147.11720	3.0
149.09622	3.7
151.11147	5.7
153.02188	1.2
156.09407	1.5
157.10165	10.4
158.10930	3.5
159.11734	2.7
161.06036	1.7
161.13272	4.5
163.11107	1.7
167.10651	6.5
171.11693	11.3
173.05969	1.3
173.13277	44.1
173.47385	1.2
175.11128	2.6
187.14781	2.6
189.12741	1.6
189.16313	2.0
191.14343	1.8
193.12256	3.7
199.14803	1.5
213.16373	23.5
217.10657	1.2
231.17458	36.2
249.18509	62.1
250.18816	1.6
253.64276	1.3
317.17374	1.8
335.18552	4.2
435.01486	1.2
532.27026	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06290	3.0
53.03944	10.0
55.05518	32.0
57.03435	10.2
57.07077	5.3
65.03951	4.4
67.05508	99.8
69.07068	15.3
69.07381	2.5
70.27475	4.8
70.27856	5.8
71.04963	3.7
79.05495	99.5
81.03414	6.8
81.07059	77.6
83.04981	10.4
83.08643	7.1
85.06541	4.9
85.86998	2.8
87.04478	7.0
91.05482	69.3
93.07050	100.0
93.69180	2.7
95.04967	20.9
95.08609	46.2
96.12920	2.7
97.06538	8.7
97.10181	5.6
99.08078	4.2
101.93204	2.7
105.04504	4.0
105.07041	50.8
107.04983	5.4
107.08607	32.9
109.06544	6.6
109.10164	20.1
109.47530	2.8
111.08062	4.5
117.07043	14.7
119.08579	29.5
121.06480	3.7
121.10157	29.2
123.08084	8.7
123.11674	7.1
127.19115	2.8
128.06271	3.3
128.62247	3.0
129.07011	16.4
131.08577	17.7
133.10117	20.1
135.11688	17.3
137.63353	2.9
143.08595	11.9
145.10085	14.3
147.08090	3.7
147.11676	37.4
149.09544	3.6
149.13287	9.4
155.08609	3.2
157.10161	6.1
158.55807	2.8
159.11725	8.8
161.09607	3.8
161.13255	13.0
163.11098	3.8
169.10065	5.2
171.11711	27.6
173.13303	7.2
183.11792	4.6
185.13319	4.9
187.14873	2.8
189.12793	5.4
207.13846	22.4
215.17844	14.2
233.18974	8.2
241.14301	3.5
279.15991	6.0
281.17514	31.7
307.22690	53.0
421.30844	4.1
513.35760	66.0
531.37579	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	531.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.3
53.53794	2.3
55.01878	4.3
55.05509	25.2
56.26469	2.3
57.03426	14.0
57.07066	6.8
65.03934	5.5
67.05505	76.9
69.03424	2.8
69.07072	18.8
69.55139	14.8
71.04998	3.9
73.02931	3.5
76.38439	2.6
79.05495	52.4
81.03426	18.6
81.07054	59.4
83.04975	15.2
83.08621	9.8
85.06547	4.6
87.04453	4.4
90.28498	2.2
91.05484	100.0
93.07042	49.2
95.04984	11.3
95.08606	43.3
97.02885	3.5
97.06543	5.9
97.10172	4.8
104.57740	2.2
105.00040	2.8
105.07043	52.5
107.04936	9.6
107.08589	26.5
109.06531	5.3
109.10178	16.8
111.08109	3.3
117.07024	19.7
119.08589	26.0
121.06512	4.2
121.10153	24.3
123.11657	3.9
129.07008	6.0
131.08571	26.6
133.06493	6.6
133.10130	37.7
135.08075	5.7
135.11691	14.3
137.09673	3.4
141.06926	3.5
143.08589	12.4
145.10089	11.7
147.11714	10.0
149.09671	16.8
149.13289	9.6
151.11165	3.6
157.10129	8.0
159.08043	4.8
159.11685	9.5
161.09616	17.1
161.13289	6.2
169.10208	3.0
171.11676	8.3
173.13277	8.6
175.14781	3.1
177.09053	5.1
179.10709	13.5
183.11661	2.8
187.14859	4.8
193.12384	3.2
195.11743	4.5
197.13312	2.9
199.14836	5.1
243.21095	3.9
251.12830	9.4
253.14366	38.5
261.22125	15.0
291.19672	4.5
313.07721	2.4
316.98074	2.6
320.20953	2.3
335.25842	25.5
421.31046	6.0
439.32300	6.7
457.32898	4.5
464.69128	2.4
513.35864	34.9
531.37677	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	531.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65143	1.3
52.11142	1.5
52.46367	1.5
53.03920	1.4
54.30872	1.5
55.05504	6.8
57.03429	2.7
61.02921	1.5
67.05521	10.7
67.49403	1.6
69.03423	3.6
69.07063	10.0
70.01354	6.6
71.04982	6.9
79.05485	4.4
81.03398	3.8
81.07057	25.1
81.07521	2.4
83.08611	4.7
85.02908	9.2
85.06547	40.4
87.00828	3.2
91.05479	6.0
93.07054	11.7
95.08617	30.1
97.02869	3.3
97.06522	2.9
97.10145	3.2
99.08068	7.5
105.01836	1.7
105.07031	9.8
105.25005	1.4
107.08590	16.1
109.02861	3.2
109.10168	22.2
111.08067	3.4
113.09669	2.6
115.05494	1.7
117.07041	1.6
119.08585	14.3
121.10156	11.7
122.09670	2.0
123.08089	1.6
123.11708	12.8
125.09590	4.5
127.03911	5.2
127.11163	5.7
131.08582	2.7
133.10139	7.8
135.11784	7.2
137.09619	5.9
139.11176	6.4
143.08630	1.5
145.04962	1.8
145.10168	8.2
146.79398	1.5
147.11720	10.1
149.13248	3.4
150.56383	1.6
151.11172	2.5
159.11722	8.8
161.13228	6.4
163.14799	5.4
165.12794	2.0
173.13225	7.7
175.14777	1.7
187.14816	1.7
189.16403	4.1
201.12373	1.7
203.17964	3.3
208.62852	1.7
222.79810	1.5
229.19539	12.5
247.20583	15.5
265.21643	100.0
266.21979	3.1
283.22705	23.4
316.12372	1.5
319.71552	1.5
332.99091	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	5.8
53.03951	7.5
55.01879	9.4
55.05513	45.6
57.03410	4.9
57.07074	4.1
59.04995	2.1
65.03928	4.7
67.05505	69.7
69.03416	5.1
69.07071	19.6
69.37128	12.3
71.01359	2.3
71.04989	4.2
77.03922	2.0
79.05494	80.3
81.03427	8.2
81.07059	73.8
83.04989	8.8
83.08623	29.8
85.02934	1.7
85.06543	4.5
91.04908	3.4
91.05486	71.0
91.97537	1.5
93.07046	77.5
95.04969	12.1
95.08611	38.2
97.02882	8.8
97.06548	10.2
97.10172	24.6
98.21586	2.7
99.00829	11.6
99.08083	4.5
103.05463	2.9
105.04529	3.7
105.07034	54.4
107.04963	10.3
107.07879	2.5
107.08600	39.8
109.02888	14.1
109.06540	7.3
109.10154	21.2
111.04449	3.6
111.08085	7.5
113.06046	1.7
115.05422	3.3
117.07008	21.3
119.04915	2.7
119.08595	37.3
121.06522	10.5
121.10149	41.2
123.08082	5.2
123.11726	7.5
125.09639	19.9
128.06216	6.2
129.07019	14.7
131.08580	26.7
133.06490	3.9
133.10136	54.1
135.08043	6.6
135.11703	20.9
137.05981	3.0
137.09659	4.6
141.06978	4.5
142.07779	1.8
143.08560	17.0
144.09370	1.8
145.06496	3.7
145.10141	24.0
147.08090	5.1
147.11705	16.9
149.09543	8.3
149.13275	6.8
151.11214	10.9
153.07045	2.0
153.09077	1.8
155.05951	1.5
155.08586	6.7
157.06522	1.8
157.10117	10.9
159.08038	2.0
159.11685	19.5
161.09612	20.6
161.13303	6.8
163.11237	4.3
165.09134	2.2
167.08623	2.0
169.10130	8.1
171.08066	6.3
171.10323	2.8
171.11703	12.6
173.09622	4.2
173.13260	11.5
175.11240	3.7
175.14749	1.6
177.12708	1.7
179.10674	11.1
181.10124	4.5
181.12267	2.9
183.08244	1.7
183.11719	7.1
185.13275	5.8
187.11150	2.2
187.14842	5.4
189.09134	8.2
189.11212	5.3
189.12717	1.9
189.16345	3.1
191.10670	2.0
193.10155	1.7
195.11728	4.1
197.11655	3.0
197.13324	4.6
199.11253	2.1
199.14879	4.9
201.12866	2.7
201.16411	1.6
207.10162	3.5
207.11884	2.1
209.13348	4.2
211.11273	1.5
211.14862	3.4
213.12874	1.5
213.16331	3.4
215.17975	12.8
221.13264	2.9
225.11147	12.7
225.16429	3.1
227.12779	6.4
231.17477	9.4
233.18987	8.0
235.14906	2.4
239.14426	2.0
239.17976	2.4
241.19521	2.9
243.17552	3.2
249.18477	4.6
251.17961	2.1
257.18997	3.2
259.20633	5.0
261.18579	2.0
271.17178	3.3
273.18359	2.3
277.19885	1.8
281.13882	6.8
285.18536	2.5
287.20151	8.3
291.19727	2.0
299.14948	5.4
299.20120	2.1
301.21606	1.7
305.21182	2.2
309.18298	2.6
313.21567	1.8
375.27008	3.9
393.27859	11.4
403.26254	5.6
411.28836	6.2
421.27225	15.3
429.30161	4.4
439.28387	28.9
447.30771	2.2
457.29404	12.6
467.31378	2.5
485.32712	15.9
487.34232	4.3
495.30789	3.8
503.33630	16.2
513.32141	47.6
531.33185	100.0
532.33722	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	531.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.7
55.01871	4.0
55.05506	7.9
57.03445	5.2
57.07084	2.8
61.02924	3.3
61.86135	1.8
67.05511	12.6
69.03441	12.0
69.07073	27.7
70.16932	4.4
70.17323	5.9
71.04995	12.0
73.02937	3.1
78.35682	1.7
79.05492	11.8
81.03428	13.5
81.07059	37.6
82.46136	2.1
83.08603	5.7
85.02916	26.9
85.06548	79.6
87.00812	11.9
87.08111	2.8
90.36736	1.9
91.05493	15.3
93.07050	30.5
95.08616	39.7
97.02898	9.5
97.06534	6.8
99.04451	3.1
99.08096	3.4
105.01875	8.5
105.07034	24.4
107.04929	2.1
107.08599	35.4
109.02887	8.6
109.10164	12.6
111.08074	17.3
112.62247	1.8
115.07589	5.4
116.85173	2.1
117.07035	3.8
119.08601	19.0
119.39891	2.1
121.10166	15.6
123.08103	3.4
123.11697	5.8
125.09629	2.8
127.03918	11.8
129.01814	2.7
129.07051	4.2
131.08572	14.3
133.10135	20.0
135.11693	15.4
137.09673	2.1
137.13264	5.3
139.11192	2.0
145.04980	4.4
145.10135	25.9
147.11703	25.2
149.13277	31.8
151.11169	3.6
151.14819	5.0
153.12712	3.3
155.14316	3.6
157.10141	2.4
159.02905	4.6
159.11710	17.9
161.13287	11.1
163.14851	3.9
165.12778	2.1
167.14336	4.5
173.13283	23.4
175.14796	5.3
185.13255	2.4
187.14818	26.1
189.16409	6.1
189.51576	1.9
191.14346	5.2
201.16458	9.4
203.06996	5.2
203.18011	14.2
213.03812	2.3
229.19514	46.4
247.20593	72.2
265.21661	100.0
283.22720	50.7
341.10291	3.4
379.39615	1.9
413.12402	2.5
516.10284	2.1
559.35327	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	531.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25111	0.5
52.78051	0.5
53.03935	1.4
55.05508	5.2
57.03423	1.8
57.07047	0.9
61.02937	0.7
67.05504	10.0
69.03436	3.4
69.06726	0.8
69.07069	9.3
70.84788	1.2
70.85124	1.0
71.04995	8.9
73.07276	0.6
79.05493	5.4
81.03416	2.9
81.07056	21.8
83.08607	3.4
85.02904	5.3
85.06548	38.5
87.00845	3.2
87.04478	0.6
91.05489	3.3
93.07047	11.1
95.08608	28.7
97.02884	2.9
97.06519	2.1
97.10162	1.8
99.04455	1.2
99.07616	0.5
99.08102	6.4
103.07558	1.3
105.01875	1.2
105.07033	9.0
107.07893	0.8
107.08601	15.1
109.02861	1.9
109.06519	0.9
109.10158	19.3
110.74367	0.5
111.08099	2.6
113.09637	2.5
115.07613	0.7
117.06975	0.9
119.08581	14.3
120.47347	0.6
121.10146	10.6
123.08065	1.3
123.11708	11.6
125.09632	6.1
127.03893	2.4
127.11198	4.8
131.08583	2.9
133.10133	6.4
135.11679	5.9
137.09616	6.9
137.13242	2.1
139.11183	5.3
141.09152	0.7
141.38734	0.5
144.09354	0.7
145.05002	1.2
145.10120	5.9
147.11691	9.7
149.13283	4.4
151.11209	2.6
157.10167	0.7
159.11710	9.7
161.13297	5.1
163.14818	2.9
165.12781	1.4
169.53445	0.5
173.13278	8.5
175.14789	2.6
177.12796	0.8
177.16374	1.7
187.14854	3.9
189.16365	3.1
191.14333	1.9
191.17935	1.0
201.16365	1.5
203.18005	4.8
205.19542	0.7
207.17461	1.0
217.19547	1.3
221.19046	0.9
229.19531	11.5
235.20534	1.2
239.20149	1.0
247.20578	14.6
265.21634	100.0
266.21954	2.0
283.22702	21.9
298.12741	0.6
410.87036	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.6
55.01855	1.0
55.05502	4.2
57.03432	2.0
67.05508	9.8
69.03416	3.6
69.07066	9.0
69.21449	7.6
71.04992	7.4
79.05492	5.0
81.03419	3.3
81.07063	18.9
83.08608	4.0
85.02888	5.6
85.06548	32.6
87.00839	2.7
90.71186	1.0
90.73386	0.9
91.05470	3.8
93.07041	9.0
95.04961	1.1
95.08611	24.7
97.02916	1.6
97.06535	1.7
97.10178	1.2
99.08083	6.2
105.07031	10.4
107.08604	14.1
109.02871	2.3
109.06539	1.3
109.09389	0.9
109.10161	17.8
111.08074	3.2
113.09665	1.9
119.08590	11.8
121.10149	10.4
123.08063	1.8
123.11724	10.1
125.09637	6.0
127.03918	3.4
127.11217	4.6
131.08578	3.0
133.10147	8.5
135.11700	6.7
137.09601	5.2
137.13249	2.2
139.11208	4.9
141.09116	1.3
143.08574	1.3
145.04926	1.1
145.10165	4.8
147.11707	8.2
149.13228	3.5
151.11201	2.8
155.10678	0.9
159.11682	9.4
160.72110	0.9
161.13263	4.2
163.14833	3.2
165.12822	1.3
173.13293	6.6
175.14838	1.7
177.16316	1.1
187.14795	3.4
189.16377	2.7
200.00679	1.0
201.16354	2.2
203.17911	4.1
217.19528	1.8
229.19560	10.8
247.20602	11.2
265.21640	100.0
266.21924	2.4
283.22668	18.7
394.96976	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	12.7
55.01874	11.8
55.05497	19.2
55.23038	3.9
57.03428	16.6
57.07078	5.2
58.55061	4.0
61.02923	9.2
67.05516	44.6
68.99799	5.6
69.03438	27.2
69.07056	17.1
69.14990	40.9
69.15388	9.7
70.06570	4.3
71.04998	9.9
73.02943	6.2
79.05077	5.4
79.05499	61.0
79.24574	3.9
81.03432	31.5
81.07061	57.6
81.79451	4.3
83.04974	15.6
83.08617	11.1
85.02917	100.0
85.06550	6.5
87.00842	23.6
87.04453	10.4
91.05493	52.7
93.07049	53.9
95.04965	16.3
95.08614	46.9
97.02912	27.3
97.03432	5.6
97.06498	12.4
97.10177	5.7
99.04440	14.0
101.02407	5.3
103.05474	4.4
105.01872	23.2
105.07037	47.1
105.81583	4.5
107.05022	5.0
107.08595	26.3
109.02899	32.1
109.06540	10.4
109.10151	27.8
111.04447	22.6
115.03960	9.6
117.07015	44.0
119.08588	31.2
121.06501	16.7
121.10130	18.9
123.08019	6.5
123.11669	6.6
127.03934	41.7
129.07033	18.3
131.08568	55.0
133.06512	11.4
133.10132	16.8
135.08076	10.4
135.11685	36.6
137.06000	5.5
137.09642	7.2
137.13309	6.4
139.07483	5.9
141.07014	7.8
143.08542	13.7
145.04965	9.4
145.06551	6.2
145.10133	46.2
147.08070	7.9
147.11646	7.6
149.05951	4.3
149.09659	6.3
149.13249	18.8
151.07521	7.7
155.08522	12.7
157.10184	8.7
159.02933	6.6
159.08090	10.8
159.11699	18.5
161.09668	7.0
163.07585	9.1
163.11134	6.2
163.14807	4.8
165.12804	5.1
169.10159	12.5
173.06100	4.2
173.09624	11.5
173.13287	8.2
177.09117	12.1
183.11678	9.2
185.13281	22.9
187.11201	11.8
187.14839	54.7
191.10568	7.8
197.13333	4.6
201.16367	15.6
209.13353	4.8
211.14861	18.4
229.16002	21.3
231.05069	10.4
233.86642	4.9
236.15129	5.5
247.16983	78.9
285.14908	4.0
438.90414	4.0
531.26215	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	530.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	15.0
55.01869	13.6
55.05504	11.8
57.03458	8.9
57.57002	3.6
60.79609	3.5
61.02923	12.7
67.05502	28.2
69.03435	34.8
69.07063	15.9
71.04996	9.9
73.02933	11.3
79.05489	20.6
80.05852	4.8
81.03422	40.7
81.07063	51.6
83.08617	7.1
85.02909	100.0
85.06545	19.9
87.00838	45.9
89.06034	3.6
91.05487	25.3
93.07042	33.7
95.08591	37.2
97.02873	33.5
97.06506	8.2
99.04447	25.3
105.01869	40.0
105.07030	46.1
107.08595	36.1
109.02888	41.2
109.10159	27.3
117.07022	8.0
119.08598	39.1
121.10133	21.9
122.09650	3.9
123.11693	8.9
125.09677	3.6
127.03916	74.8
128.06236	4.3
129.01872	5.9
131.08617	18.6
133.10118	29.0
135.11670	18.9
141.06616	5.9
143.08578	9.9
143.67410	4.3
145.04959	31.7
145.10139	24.7
147.02914	9.6
147.11700	28.7
149.13277	11.4
150.29486	4.0
151.07605	4.8
157.10155	11.3
159.02907	25.8
159.11734	31.7
161.13274	18.8
163.14813	3.9
171.11731	4.8
173.13293	29.7
175.14850	7.7
185.13287	5.6
187.14793	20.2
189.16299	4.3
195.11728	3.9
197.46179	3.9
201.16428	4.9
203.18033	22.4
211.14845	5.1
213.03893	6.1
215.72595	4.6
227.17973	6.8
228.07852	3.9
229.19528	56.6
231.04997	17.3
231.21074	22.3
233.03609	4.3
245.19054	6.8
247.20569	42.7
257.19086	6.5
315.10397	3.9
337.21936	5.8
355.22656	4.7
432.74438	3.8
495.25531	4.6
530.31366	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	530.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	9.1
55.01872	10.4
55.05524	8.4
57.03436	9.6
61.02921	7.8
67.05501	12.9
69.03440	41.4
69.07061	16.0
69.46592	32.0
71.04997	8.1
73.02916	13.4
79.05483	11.7
81.03423	39.6
81.07058	36.3
85.02910	100.0
85.06540	34.2
87.00832	34.3
91.05479	17.7
93.07060	30.1
95.04961	6.7
95.08615	58.4
97.02908	36.1
97.06516	7.3
99.04443	16.5
99.08086	8.7
103.03931	17.0
105.01892	27.4
105.07039	44.3
107.08636	30.4
109.02873	35.8
109.10145	21.5
116.48772	3.9
117.01825	6.5
119.08563	34.4
121.10127	19.4
123.11726	5.3
127.03931	66.3
129.01857	8.1
131.08531	12.5
133.10136	25.7
135.11668	16.6
143.08553	6.3
145.04962	27.3
145.10126	22.9
147.06581	4.3
147.11644	29.7
149.13268	8.4
157.10153	8.1
159.02922	25.7
159.11717	28.5
161.13277	16.8
165.12735	6.0
173.13286	24.6
183.20531	4.5
185.13326	4.8
187.14819	11.0
189.16351	5.9
199.22620	4.6
201.16344	6.3
202.17014	5.2
203.17957	19.0
227.18062	5.5
229.19524	43.5
231.04974	12.3
231.21101	6.7
234.27693	3.9
245.18985	4.8
247.20615	63.5
265.21671	22.9
355.22769	5.3
397.23956	4.2
459.24026	5.9
477.24503	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	530.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
60.87794	0.4
70.06589	1.7
70.08585	1.8
76.37221	0.3
79.40832	0.4
105.07056	2.2
111.02613	0.5
112.07614	1.0
115.05480	0.6
117.05777	1.5
118.06595	0.5
121.02869	0.7
121.12317	0.4
123.04481	0.7
130.06541	0.6
132.08107	4.3
133.02899	0.4
133.06546	0.9
135.04399	0.7
137.02303	0.4
137.05939	0.8
140.07066	0.4
144.08124	0.6
146.06056	0.7
149.02379	1.1
150.03159	0.6
150.09126	2.6
160.07607	7.2
161.02376	0.8
172.07582	6.0
173.08376	3.2
174.09172	0.8
178.08690	0.6
188.07079	41.1
189.07797	2.8
190.08614	0.6
200.07095	1.6
201.07890	3.2
202.08644	11.7
206.08130	11.6
214.08665	0.8
216.06551	2.5
217.07336	10.3
218.08128	11.6
220.07753	0.6
220.09790	1.4
228.06709	0.5
234.07611	0.8
235.08398	2.7
236.09198	5.5
239.03496	0.4
248.10789	0.8
250.12297	0.5
266.11838	1.3
276.10245	4.4
292.09647	0.4
294.11191	3.2
297.40582	0.5
304.09732	1.1
305.10538	1.5
321.10025	0.7
322.10849	1.8
350.10263	6.7
352.11847	5.9
358.40790	0.4
368.11310	0.6
370.12958	6.5
378.09750	19.5
379.10410	0.6
379.52744	0.4
396.10834	13.5
414.11847	25.2
512.12280	0.6
530.12988	100.0
531.13495	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	530.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.3
70.06569	0.7
71.39869	0.7
81.03387	0.3
89.03892	0.2
104.57749	0.3
105.06514	0.2
105.07026	2.7
107.04880	0.3
115.05487	0.6
117.03358	0.3
117.05755	1.4
118.06554	0.5
118.89365	0.3
119.04962	0.3
121.02891	1.0
123.04432	0.4
125.48914	0.3
130.06529	0.7
131.07344	0.4
132.07205	0.4
132.08102	5.3
133.02844	0.7
133.06516	0.5
135.04411	1.0
137.02306	0.3
137.05931	0.4
144.08086	0.8
146.05998	0.7
148.07597	0.4
149.02371	0.8
150.03136	0.8
150.09149	2.3
160.07585	7.7
161.02364	0.7
161.08348	0.7
162.52731	0.3
163.03870	0.9
172.07568	5.9
173.08319	2.9
174.09167	0.7
178.08578	0.5
188.07072	41.9
189.07857	3.0
190.08583	0.6
192.04805	0.8
200.07069	2.2
201.07886	2.6
202.08640	13.0
206.08128	11.5
214.08646	0.3
216.06554	3.4
217.07359	10.3
218.08127	11.5
219.08945	0.7
220.07785	0.5
220.09583	1.5
228.06583	0.5
234.07620	1.1
235.08368	2.1
236.09178	6.5
248.10762	0.6
266.11734	1.0
276.10217	4.3
294.07886	0.4
294.11221	3.3
304.09702	0.8
305.10532	1.2
306.11124	0.5
321.09918	0.9
322.10745	1.8
334.10867	0.5
350.10181	8.2
351.50543	0.3
352.11841	6.4
368.11475	0.4
370.12894	6.5
378.09732	19.5
379.10007	0.5
386.12323	1.0
396.10800	13.5
414.11853	24.3
415.12323	0.4
512.12018	0.7
530.12958	100.0
531.13153	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08650	1.2
53.03931	5.2
54.48985	1.0
55.01864	1.7
55.05514	16.9
57.03431	3.3
57.07077	7.1
63.51781	1.1
65.03949	2.9
67.05508	55.7
68.69245	1.1
69.07072	17.7
70.06599	1.8
70.62980	3.0
71.04993	3.6
71.08633	2.3
75.10895	1.0
79.05497	51.6
81.03416	3.2
81.07062	67.7
83.04980	5.5
83.08626	10.1
85.06561	3.3
87.04452	1.3
89.06038	2.0
91.04907	2.1
91.05480	33.0
93.07049	48.7
93.07642	2.5
95.04972	6.5
95.08614	36.7
97.06550	6.0
97.10171	4.2
99.08118	1.3
101.72063	1.0
105.04552	2.8
105.07041	22.7
107.04971	1.7
107.08598	31.4
109.06529	2.7
109.10156	11.4
111.08098	4.8
113.06065	1.1
117.07033	12.0
119.08585	17.7
121.06515	2.8
121.10149	22.5
123.11734	3.5
125.09667	1.0
129.07002	5.0
130.75789	1.0
131.08571	19.2
133.06552	2.1
133.10132	15.7
135.08087	2.1
135.11691	13.1
141.07028	1.3
142.07832	1.7
143.08601	4.3
145.10121	11.8
147.11688	7.1
149.09621	2.2
149.13264	17.4
151.11163	1.3
151.89548	1.1
155.08612	2.3
157.10172	3.3
159.11713	15.7
161.13307	3.9
163.14914	1.5
167.14323	1.3
169.10187	2.2
171.11748	2.6
173.13242	6.2
175.14833	1.7
177.11026	1.1
177.12788	2.6
183.11780	1.8
185.13278	4.3
187.14885	3.9
194.41151	1.4
195.12114	1.7
195.13875	6.6
197.13342	2.2
199.14935	1.6
201.16426	1.7
213.12843	1.1
225.16418	1.2
236.80370	1.1
261.22272	4.1
272.25775	1.7
273.26227	3.0
276.91110	1.2
283.26422	4.6
284.26868	6.4
317.24750	1.8
437.34250	7.7
455.35168	4.2
462.44922	1.3
473.36243	1.8
511.37918	3.1
529.38983	100.0
529.50067	13.3
530.39264	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	2.4
53.03937	13.0
55.01865	5.1
55.05512	31.0
55.89071	2.4
57.03426	10.0
57.07082	12.4
59.04988	2.4
60.98210	1.9
65.03927	6.2
67.05506	81.1
69.06736	2.5
69.07075	34.5
69.43499	13.9
70.06577	5.7
71.04978	4.4
71.08617	4.6
73.06554	2.9
79.05496	85.6
81.03419	13.3
81.07058	100.0
83.04958	6.8
83.08619	14.2
85.06539	4.3
85.10222	2.9
85.12772	1.9
87.04470	29.4
88.07622	6.0
89.06030	12.0
91.05487	60.7
93.07045	83.3
95.04961	16.3
95.08611	60.4
97.06520	9.2
97.10151	5.8
99.08083	2.5
102.09177	5.4
103.05473	3.4
105.04494	3.7
105.07039	65.4
106.07318	4.4
107.04969	16.7
107.08600	42.4
109.06501	4.8
109.10162	21.2
111.08072	4.9
115.05432	5.1
116.06205	2.5
117.07015	33.0
119.08588	33.3
121.06519	11.9
121.10149	35.8
123.08067	3.1
123.11716	7.2
125.05987	2.8
127.07539	2.5
128.06255	4.2
129.06992	18.8
130.07779	2.4
131.04793	3.1
131.08575	56.0
133.06476	10.7
133.08592	5.2
133.10133	26.3
135.08034	8.9
135.11687	20.0
137.09581	3.6
141.07005	8.2
142.07747	4.9
143.06981	3.6
143.08586	21.0
145.10115	28.8
147.08043	5.5
147.11670	16.0
149.09628	19.1
149.13269	12.4
151.11130	2.5
155.08551	9.7
157.10127	12.9
159.08031	7.4
159.11703	18.7
161.09604	2.2
161.13239	10.1
162.08983	2.0
163.11203	4.0
163.14737	2.1
165.09070	3.4
167.08592	3.6
168.09340	2.6
169.10098	12.0
171.11711	9.7
173.09497	2.7
173.13237	11.9
175.14835	4.0
177.09135	8.9
181.10124	6.2
183.11694	8.1
185.13245	8.4
187.14810	6.8
195.10175	5.8
195.11787	5.1
195.13803	5.1
197.13295	6.9
199.11264	2.9
199.14870	7.4
201.16260	3.0
207.11914	2.3
209.13293	2.9
211.14822	4.4
221.13303	2.3
223.14883	2.8
225.16425	3.1
233.18915	2.5
239.17937	3.0
242.36253	2.4
251.12682	19.1
256.26361	61.1
261.16211	2.8
261.22134	6.9
277.21970	2.3
297.22101	2.9
313.25153	2.1
317.24942	2.7
350.46170	2.3
353.24857	3.1
361.23996	3.1
409.30780	3.3
413.26538	2.6
419.29330	6.8
437.30435	7.8
493.33215	3.2
501.35764	3.4
511.33792	28.4
529.35400	61.4
529.37756	58.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.265
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72437	2.1
53.03954	4.9
55.01872	5.0
55.05505	6.4
57.03438	5.4
61.02926	4.0
67.05502	9.7
68.15606	2.3
69.03427	10.7
69.07066	7.0
69.16891	21.6
71.04980	7.0
73.02899	2.5
75.02129	2.4
79.05486	7.9
81.03421	8.5
81.07064	25.7
83.08613	4.0
85.02913	24.7
85.06533	11.3
87.00847	12.9
91.05494	19.1
93.07053	26.1
95.04976	3.8
95.08618	26.1
97.02882	7.4
97.06539	16.2
99.04463	3.9
100.31697	2.5
105.01871	3.4
105.07035	36.3
107.08598	21.8
109.02882	6.0
109.06626	2.5
109.10151	8.0
111.08105	16.6
117.07027	4.0
119.08588	35.9
121.10158	16.4
122.13306	2.8
123.11738	4.3
125.09635	5.9
127.03959	11.9
128.06233	2.8
129.07039	4.5
131.08546	15.5
133.10152	19.0
135.08081	2.8
135.11729	22.8
137.09663	3.6
143.08580	14.4
145.04961	5.6
145.10129	40.9
146.97147	2.0
147.02989	2.9
147.10512	4.5
147.11694	76.2
149.09619	4.5
149.13251	2.8
153.12764	7.6
157.06471	2.4
157.10149	9.8
159.02907	4.0
159.11699	25.0
161.13268	9.4
163.03893	2.3
163.11186	7.8
165.12769	10.7
167.10713	2.4
171.11703	16.0
173.13260	5.1
175.14722	4.4
183.11734	3.4
185.13266	27.0
187.14827	31.1
189.12733	3.4
199.14780	9.3
201.16425	15.3
203.14415	4.9
203.17993	3.5
205.15941	5.3
207.13908	2.9
215.17969	7.2
223.07384	2.5
227.17957	52.0
233.19141	5.4
245.19034	100.0
263.20096	42.8
276.06204	2.1
281.21164	24.2
357.63379	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	529.3165
Annotation	Milbemectin
Peak:m/z	Relative Intensity
53.03940	7.4
55.01871	15.4
55.05512	29.8
57.03423	10.0
59.04998	22.6
65.03928	3.6
65.77460	2.7
67.05508	43.5
69.03442	4.4
69.07073	34.7
70.38991	10.4
71.01349	2.8
71.04987	7.0
73.06541	3.8
79.05497	66.9
81.03425	22.9
81.06600	3.6
81.07065	62.8
83.04961	9.9
83.08624	13.6
85.02912	4.5
85.06541	2.6
87.04481	5.1
87.55202	2.9
89.06023	3.5
91.05482	69.7
93.07040	43.3
95.04977	15.4
95.08613	36.5
97.06528	15.4
97.10172	15.7
99.08112	2.8
105.04500	4.7
105.07040	48.9
107.04962	16.6
107.08585	35.4
109.02886	3.4
109.06529	15.3
109.10145	9.5
111.08108	4.7
115.05472	8.1
117.07025	40.2
117.09138	4.6
119.08595	29.6
121.06491	7.6
121.10145	19.2
123.08078	8.3
125.05960	5.3
125.09615	15.2
128.06209	9.3
129.06996	13.5
131.08588	35.4
133.06509	6.3
133.10146	23.5
135.04391	3.1
135.08066	15.1
135.11702	11.6
137.05983	4.3
137.09660	8.6
141.06975	7.2
142.07758	4.0
143.07066	6.1
143.08554	23.0
145.06505	4.7
145.10129	50.8
147.08028	6.7
147.11646	8.6
149.09615	18.3
151.11162	3.3
153.12709	2.8
155.08537	10.5
157.10129	16.5
159.08066	3.6
159.11684	18.4
161.09628	10.0
161.13177	3.6
163.11160	13.4
167.08653	5.8
169.10132	12.1
171.08005	6.3
171.11647	8.6
173.09636	8.0
173.13304	7.3
177.09055	3.3
179.08601	2.9
179.10693	3.0
181.10155	5.8
181.12289	3.3
183.11711	13.3
185.09602	5.7
185.13240	6.8
185.50983	3.5
187.11156	6.8
187.14796	3.4
189.09233	3.0
189.11218	8.6
193.10271	5.3
195.11813	4.2
197.09550	3.0
197.13257	5.1
199.11328	4.2
199.14914	4.2
201.16467	6.3
207.11794	4.4
209.09787	4.0
209.11601	4.0
209.13435	3.0
211.14845	5.4
216.48450	3.0
221.13379	2.9
223.14888	4.1
225.12732	4.6
227.12794	11.4
229.15924	11.6
233.13138	3.0
239.17963	4.3
247.14798	2.8
247.17024	13.0
257.18845	5.8
267.17670	4.4
273.18851	3.1
275.20102	8.9
283.15390	5.4
285.18405	8.1
297.18494	4.8
311.20151	3.2
315.19821	5.4
339.19379	3.0
391.26416	7.7
401.24506	5.6
409.27512	6.3
419.25800	17.0
429.94916	2.9
437.26920	28.5
455.28036	11.7
483.30994	2.9
493.29266	7.1
501.32074	11.8
511.30615	49.2
529.23517	5.4
529.31580	100.0
530.31647	3.9
534.78174	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
58.08261	0.8
67.05498	1.0
69.03437	0.8
69.07046	1.0
71.49703	1.2
73.02930	0.7
76.04264	0.8
79.05491	1.4
79.32354	0.7
81.03413	0.8
81.07039	1.8
85.02892	2.0
85.06527	1.4
93.07051	1.1
95.08601	1.3
97.02869	1.6
97.06548	1.1
97.98166	0.7
105.07086	0.7
119.08598	1.0
121.10097	0.7
123.11711	1.2
168.56052	0.7
245.06429	4.5
261.14612	2.6
279.15707	12.9
289.05319	4.1
291.25027	0.7
321.15640	1.5
339.16437	1.8
373.17169	0.7
381.18033	0.8
441.20605	4.6
483.22021	27.2
484.22928	0.9
527.20972	100.0
528.21271	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	528.311
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11306	1.5
53.03928	1.6
55.05497	2.0
55.75408	1.6
59.05006	8.8
67.05493	4.0
70.68153	3.8
70.68494	1.8
79.05492	8.4
81.07068	2.7
87.04478	3.0
89.06030	10.2
91.05489	9.0
93.07043	1.9
93.43256	1.5
94.02903	1.5
94.07369	1.8
95.04996	1.6
103.03922	5.9
103.05465	16.6
105.07040	100.0
106.07291	1.6
107.08602	2.7
109.10097	2.2
109.40568	1.6
110.30830	1.5
129.06964	3.4
131.08586	1.6
133.08600	4.4
133.10139	2.5
135.11676	2.6
143.08507	1.9
154.73961	1.6
171.08047	3.6
175.70306	1.7
177.11253	2.4
179.08591	2.1
192.09311	2.0
206.10881	3.5
207.08012	3.2
219.08130	2.3
220.08875	2.7
221.09492	2.2
234.10287	1.9
249.12764	33.4
250.13257	2.0
272.39279	1.5
274.58566	1.6
327.17447	38.4
328.17725	2.1
389.21191	5.8
402.01218	1.6
405.22156	93.7
406.22342	3.2
432.08954	1.7
493.27460	51.2
528.37573	2.3
533.37665	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.6
57.06793	1.6
57.07077	26.0
59.04993	3.0
61.39107	0.8
67.05497	2.4
69.07061	3.0
70.22288	2.8
71.08632	27.7
73.06561	8.8
79.05485	2.4
81.03334	0.7
81.07047	3.4
83.08617	5.4
83.83253	0.7
85.10186	26.3
87.04487	4.7
89.06032	100.0
91.05486	1.6
91.07578	1.0
91.12148	0.7
93.07055	1.4
95.08606	2.8
96.08924	1.0
97.06569	1.0
97.10187	2.1
99.11727	2.5
105.07030	4.6
107.07059	1.5
107.08568	1.2
108.09058	0.7
109.10205	1.2
117.09137	7.0
121.06525	1.8
122.38999	0.7
130.08658	2.1
131.07068	1.7
131.08557	1.1
133.08604	50.4
135.10220	0.9
135.11697	1.1
136.88170	0.7
141.16371	4.5
161.11786	1.2
175.09746	0.8
177.11234	20.7
185.19000	6.7
221.13759	3.6
229.21620	10.3
239.15024	1.2
273.24243	6.0
283.17596	2.1
327.20166	1.4
354.96579	0.7
371.22650	5.1
511.38382	8.0
528.37561	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17638	2.0
56.96570	1.9
68.45729	2.0
71.39658	2.2
71.39987	2.4
113.80773	2.3
118.06563	17.9
119.30762	1.8
128.89093	2.2
132.08081	5.3
142.06496	2.7
144.08057	9.6
146.06015	52.4
159.09180	6.5
170.06023	4.4
188.07066	100.0
195.47876	2.1
205.09715	30.8
211.47948	2.0
291.20941	2.4
307.93143	2.0
334.78381	1.9
349.52048	2.4
492.61829	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	8.4
55.01860	10.7
55.05506	10.1
57.03429	11.4
60.10927	2.6
61.02925	7.4
67.05509	25.2
68.99790	8.2
69.03432	41.5
69.07051	10.0
69.37488	19.9
71.04974	9.9
73.02914	5.0
76.52800	3.0
79.05493	13.1
81.03420	39.8
81.07054	37.4
83.04996	8.1
83.08633	3.4
85.02908	64.8
85.06544	79.7
87.00833	26.1
91.03984	3.4
91.05470	18.5
93.07049	29.6
94.32454	2.9
95.08611	70.1
97.02882	26.2
97.06535	11.3
99.04454	12.0
99.08087	5.8
104.57556	2.8
105.01887	10.1
105.07042	30.6
107.04952	6.3
107.08591	28.4
109.02894	30.6
109.06506	5.4
109.10166	32.0
111.08059	4.2
113.09669	10.5
113.23692	3.2
117.07042	4.2
119.08584	24.6
121.10151	19.2
123.04453	5.5
123.08058	4.8
123.11760	5.8
125.09642	26.6
127.03929	45.2
127.11200	5.5
129.07008	3.7
131.08578	15.7
133.10146	21.2
135.07970	3.4
135.11687	10.0
136.96323	2.8
137.09621	20.8
139.11147	4.3
141.09116	4.4
143.08536	9.8
143.10640	9.1
145.04967	13.2
145.10123	30.7
147.11676	14.8
157.10167	14.4
159.02925	12.8
159.08134	3.2
159.11688	26.1
161.13246	18.1
163.11200	5.2
164.07083	12.1
168.33681	3.3
169.10104	4.3
171.11699	16.9
173.13252	8.7
175.14871	6.3
177.12720	4.2
185.13263	12.6
187.14853	11.2
189.12834	3.3
199.14859	5.0
201.16376	16.0
203.14273	3.9
203.17894	10.5
205.15907	4.4
217.15852	5.2
219.17497	9.9
227.17961	23.1
231.05038	6.7
245.19075	44.4
245.38257	3.8
263.20081	100.0
270.94226	3.4
281.21097	57.8
309.99744	3.7
349.10968	4.7
409.09079	3.3
490.60696	3.5
529.18829	9.6
529.26526	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	526.4315
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	3.0
57.07078	57.2
58.21463	1.2
61.91676	1.0
69.07076	7.4
70.61866	1.5
70.62199	2.4
71.08634	52.8
73.06557	5.5
83.08607	4.0
83.95068	1.1
85.10183	33.8
87.04453	4.7
89.06031	100.0
97.10155	2.4
97.79055	1.2
99.11734	6.0
105.07027	8.9
111.11718	4.4
113.13292	9.0
117.09122	3.7
125.13262	2.8
127.14833	4.5
130.08563	1.9
131.07057	1.9
133.08604	73.5
135.10185	1.3
143.76440	1.2
150.41826	1.3
177.11226	26.0
178.85854	1.2
183.21062	1.8
195.12354	2.1
221.13779	5.7
227.23637	2.2
236.14931	1.5
239.14857	3.1
265.16525	1.1
271.26260	3.3
272.17126	1.1
283.17545	3.2
315.28836	4.2
327.20129	21.5
356.20685	1.2
509.40509	21.4
526.42377	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37449	3.0
52.30167	2.7
55.05509	3.5
65.03911	2.6
67.05485	8.9
69.07059	8.5
69.12836	2.5
69.41872	2.7
69.84299	12.6
71.04989	6.0
79.05483	12.9
81.03402	4.5
81.07054	15.4
85.02899	3.4
91.05491	19.2
93.07047	35.3
95.04974	23.5
95.08611	23.6
97.06528	7.3
105.07030	28.5
107.07884	5.7
107.08603	100.0
109.10152	4.5
117.07008	5.7
119.08593	18.7
121.10146	41.1
125.09647	18.3
131.08565	8.8
133.10164	25.7
134.10880	3.3
135.08017	8.2
135.11691	10.6
139.11163	3.7
145.10107	5.4
147.11699	14.1
149.12045	5.1
149.13260	89.2
152.38620	2.7
157.10060	6.2
159.11688	26.1
161.09547	4.6
161.13252	4.7
173.13277	15.1
175.11182	3.9
175.14859	8.7
177.12750	11.8
178.13519	8.7
185.13271	3.1
191.14273	17.6
193.12248	6.5
201.12723	2.9
203.14371	5.3
211.13170	3.5
217.52522	3.0
219.13808	14.4
221.15379	57.1
325.20157	3.0
476.18332	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03712	1.2
53.03946	13.5
55.01869	2.5
55.05502	2.8
56.48895	0.9
57.03446	4.2
59.46782	0.8
59.99113	5.6
61.02930	6.4
63.94718	0.8
69.03428	50.9
69.37733	7.4
71.04994	5.7
72.08154	3.3
73.02916	5.8
73.06552	9.8
74.97199	0.8
81.03416	63.6
85.02905	42.1
85.07656	1.0
86.06056	5.6
87.04433	1.7
97.02888	33.0
98.21535	1.0
99.04449	15.1
102.99744	1.4
103.03955	1.7
106.06551	59.7
109.02878	65.6
115.03909	2.0
115.08667	1.7
124.48624	0.8
127.03916	68.6
132.04788	45.7
133.04941	4.3
134.06020	3.6
139.03947	1.1
145.05034	14.9
157.13281	4.7
162.17026	0.8
169.04965	3.5
175.05354	2.7
187.06010	100.0
191.11832	1.4
205.07069	62.7
208.05403	3.8
208.83496	1.1
217.10013	9.0
250.10036	4.3
276.14545	1.7
276.17453	0.9
280.11139	4.4
336.11096	10.4
421.16400	20.8
526.22046	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	525.4517
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	9.0
57.07078	35.2
67.05502	18.3
69.07063	9.6
71.08630	30.0
71.49199	4.0
73.06552	6.4
75.78049	2.2
79.05497	12.1
81.03426	4.6
81.07066	25.0
83.04957	2.8
83.08622	7.3
85.10185	24.3
87.04478	7.7
89.06035	100.0
89.06584	5.5
91.05489	12.2
92.83122	2.2
93.07049	9.7
95.04945	2.6
95.08070	2.9
95.08586	14.9
97.10179	8.9
99.11741	4.9
105.07030	8.3
107.08607	4.2
109.10178	6.8
117.07017	3.5
117.09123	4.2
119.08620	5.3
121.06485	3.3
121.10129	9.4
123.11721	4.3
129.07021	2.7
130.08652	2.8
131.08580	3.0
133.08609	37.0
133.10155	5.0
135.11682	6.4
137.13300	2.8
145.10115	3.8
155.17970	4.4
159.11732	3.6
177.11249	9.6
217.19528	3.1
236.14992	5.3
237.15199	3.3
237.22212	4.2
251.20078	7.1
422.53424	2.8
451.32260	3.9
525.35498	4.8
525.40515	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.8
53.10741	2.3
53.64880	2.0
55.01868	4.2
55.05511	12.8
56.96543	2.8
57.03423	6.4
57.07077	7.0
61.02952	5.0
66.83759	2.6
67.05516	17.4
69.03434	37.9
69.07060	7.8
70.36386	5.4
71.05004	3.5
73.02913	6.5
76.48933	2.0
76.75144	2.2
79.05490	12.9
81.03424	27.9
81.07062	26.9
83.04975	6.8
83.08633	2.3
85.02914	31.5
85.06551	55.4
87.00835	14.8
91.03967	3.1
91.05486	9.6
93.07057	9.3
95.04962	4.9
95.08622	26.9
97.02897	12.6
97.06548	5.8
99.04448	6.5
99.08102	73.2
104.40283	3.0
105.01865	8.5
105.07045	24.8
107.08608	16.4
108.27911	2.1
109.02888	17.9
109.06509	12.1
109.10145	15.1
111.08057	3.2
117.01852	3.8
117.06948	2.6
119.08591	28.6
121.06523	2.8
121.10152	35.0
123.08080	6.3
123.11722	9.8
125.06004	3.3
125.09641	17.0
127.03944	31.6
129.01796	3.1
129.07031	5.3
131.08585	6.5
133.06474	3.4
133.10146	17.9
135.08121	3.9
135.11719	5.1
137.05952	4.6
137.09647	7.9
137.13232	3.0
139.11151	5.9
143.08530	6.8
145.04973	9.0
145.10130	10.2
147.07970	2.6
147.11690	28.0
149.13406	2.5
151.11133	5.5
157.10141	11.8
159.02942	11.9
159.11696	9.3
161.09570	3.3
161.13254	7.3
163.11208	2.8
165.09096	4.8
165.12778	17.7
170.10912	2.6
171.11694	8.2
173.13260	8.8
175.11189	5.4
175.14865	5.1
179.14282	14.5
185.13235	14.4
185.14680	2.3
189.12666	4.1
189.16437	3.1
199.14891	8.6
201.16396	14.5
203.14297	6.2
217.15817	3.9
231.05051	4.3
241.19560	7.4
259.20593	100.0
277.21695	13.5
381.12067	2.6
417.72296	3.2
435.23840	2.6
444.24362	2.7
507.22275	2.4
525.27032	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	525.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.8
53.10741	2.3
53.64880	2.0
55.01868	4.2
55.05511	12.8
56.96543	2.8
57.03423	6.4
57.07077	7.0
61.02952	5.0
66.83759	2.6
67.05516	17.4
69.03434	37.9
69.07060	7.8
70.36386	5.4
71.05004	3.5
73.02913	6.5
76.48933	2.0
76.75144	2.2
79.05490	12.9
81.03424	27.9
81.07062	26.9
83.04975	6.8
83.08633	2.3
85.02914	31.5
85.06551	55.4
87.00835	14.8
91.03967	3.1
91.05486	9.6
93.07057	9.3
95.04962	4.9
95.08622	26.9
97.02897	12.6
97.06548	5.8
99.04448	6.5
99.08102	73.2
104.40283	3.0
105.01865	8.5
105.07045	24.8
107.08608	16.4
108.27911	2.1
109.02888	17.9
109.06509	12.1
109.10145	15.1
111.08057	3.2
117.01852	3.8
117.06948	2.6
119.08591	28.6
121.06523	2.8
121.10152	35.0
123.08080	6.3
123.11722	9.8
125.06004	3.3
125.09641	17.0
127.03944	31.6
129.01796	3.1
129.07031	5.3
131.08585	6.5
133.06474	3.4
133.10146	17.9
135.08121	3.9
135.11719	5.1
137.05952	4.6
137.09647	7.9
137.13232	3.0
139.11151	5.9
143.08530	6.8
145.04973	9.0
145.10130	10.2
147.07970	2.6
147.11690	28.0
149.13406	2.5
151.11133	5.5
157.10141	11.8
159.02942	11.9
159.11696	9.3
161.09570	3.3
161.13254	7.3
163.11208	2.8
165.09096	4.8
165.12778	17.7
170.10912	2.6
171.11694	8.2
173.13260	8.8
175.11189	5.4
175.14865	5.1
179.14282	14.5
185.13235	14.4
185.14680	2.3
189.12666	4.1
189.16437	3.1
199.14891	8.6
201.16396	14.5
203.14297	6.2
217.15817	3.9
231.05051	4.3
241.19560	7.4
259.20593	100.0
277.21695	13.5
381.12067	2.6
417.72296	3.2
435.23840	2.6
444.24362	2.7
507.22275	2.4
525.27032	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	525.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.8
53.10741	2.3
53.64880	2.0
55.01868	4.2
55.05511	12.8
56.96543	2.8
57.03423	6.4
57.07077	7.0
61.02952	5.0
66.83759	2.6
67.05516	17.4
69.03434	37.9
69.07060	7.8
70.36386	5.4
71.05004	3.5
73.02913	6.5
76.48933	2.0
76.75144	2.2
79.05490	12.9
81.03424	27.9
81.07062	26.9
83.04975	6.8
83.08633	2.3
85.02914	31.5
85.06551	55.4
87.00835	14.8
91.03967	3.1
91.05486	9.6
93.07057	9.3
95.04962	4.9
95.08622	26.9
97.02897	12.6
97.06548	5.8
99.04448	6.5
99.08102	73.2
104.40283	3.0
105.01865	8.5
105.07045	24.8
107.08608	16.4
108.27911	2.1
109.02888	17.9
109.06509	12.1
109.10145	15.1
111.08057	3.2
117.01852	3.8
117.06948	2.6
119.08591	28.6
121.06523	2.8
121.10152	35.0
123.08080	6.3
123.11722	9.8
125.06004	3.3
125.09641	17.0
127.03944	31.6
129.01796	3.1
129.07031	5.3
131.08585	6.5
133.06474	3.4
133.10146	17.9
135.08121	3.9
135.11719	5.1
137.05952	4.6
137.09647	7.9
137.13232	3.0
139.11151	5.9
143.08530	6.8
145.04973	9.0
145.10130	10.2
147.07970	2.6
147.11690	28.0
149.13406	2.5
151.11133	5.5
157.10141	11.8
159.02942	11.9
159.11696	9.3
161.09570	3.3
161.13254	7.3
163.11208	2.8
165.09096	4.8
165.12778	17.7
170.10912	2.6
171.11694	8.2
173.13260	8.8
175.11189	5.4
175.14865	5.1
179.14282	14.5
185.13235	14.4
185.14680	2.3
189.12666	4.1
189.16437	3.1
199.14891	8.6
201.16396	14.5
203.14297	6.2
217.15817	3.9
231.05051	4.3
241.19560	7.4
259.20593	100.0
277.21695	13.5
381.12067	2.6
417.72296	3.2
435.23840	2.6
444.24362	2.7
507.22275	2.4
525.27032	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	524.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15443	0.4
53.03935	0.5
54.50175	0.4
54.88374	0.4
55.01849	0.8
55.05476	1.9
57.03437	6.0
57.07043	1.3
58.06599	28.3
59.07381	8.8
60.08162	9.6
67.05499	4.1
69.07033	1.7
69.62173	2.2
69.62589	0.8
71.08609	0.8
73.02892	1.0
75.04482	3.5
79.05484	2.9
81.03405	0.5
81.07050	3.5
83.08597	1.0
84.08140	0.7
84.56458	0.6
85.02904	3.0
87.04001	0.6
87.04459	5.9
89.06003	1.7
91.05471	2.9
93.05479	0.5
93.07038	3.0
95.04946	0.9
95.08611	3.2
100.11164	0.4
102.05532	0.8
102.28722	0.5
103.03923	0.8
104.10754	0.6
105.05498	0.5
105.06406	0.5
105.07031	5.4
106.07272	0.4
107.08572	1.1
109.10126	0.9
113.05955	0.9
119.08566	0.6
121.10120	1.2
133.08629	0.5
144.10191	7.7
159.06413	0.7
162.11237	4.7
181.75186	0.4
184.07320	1.0
193.12236	0.6
200.12897	0.6
218.13901	0.9
236.14925	100.0
433.50415	0.5
443.35602	0.7
457.06326	0.5
506.38440	24.8
524.39508	71.4
525.39606	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.0111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20560	0.7
55.27146	0.8
56.96566	5.2
69.60330	3.0
69.60752	1.5
71.95266	1.1
98.97590	94.4
99.48863	0.6
99.97960	0.9
103.84540	0.7
116.98632	37.5
118.63670	0.7
134.99661	9.7
140.00150	0.7
174.97568	0.9
181.53609	0.8
216.98956	5.1
219.01926	0.9
228.73549	0.7
232.96643	2.3
234.99919	4.8
240.98781	12.5
256.96756	3.2
257.96872	1.0
258.99832	97.4
259.99927	3.2
261.00003	0.9
261.03085	2.7
264.99231	1.2
274.97836	7.1
275.97971	1.8
277.00864	76.9
278.01074	2.2
280.97070	0.8
282.01312	1.2
283.00012	27.2
284.00107	2.5
284.99930	1.3
292.98938	2.0
295.02008	1.0
298.97919	5.3
299.98224	0.9
300.02365	1.4
300.97705	1.1
301.01071	20.5
302.01193	1.7
303.00888	1.2
314.95694	0.8
316.95731	1.2
316.99014	7.5
317.98837	1.2
322.97897	0.9
340.99103	2.8
356.93649	1.0
359.00122	10.6
364.99255	2.7
376.98019	1.0
382.99957	36.7
384.00366	1.9
401.01096	100.0
402.01324	5.6
416.98969	1.4
419.02441	8.6
424.02686	2.8
425.01370	2.1
440.99011	3.1
441.99054	1.2
443.02179	3.0
459.00040	1.5
460.00333	1.9
483.00244	1.1
500.98007	1.2
507.00241	6.3
508.00397	1.0
519.78876	0.7
524.34888	0.7
525.01312	63.2
526.01349	5.0
542.98877	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	524.213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80236	1.7
51.81908	1.5
55.05515	4.3
59.04997	5.9
61.92771	1.5
63.43928	1.5
68.05038	3.9
69.07079	2.1
70.02965	2.2
70.06586	5.0
71.04991	8.0
71.49310	2.4
73.02908	4.0
77.03963	1.6
79.05492	3.9
80.05013	8.6
81.07072	4.5
83.08616	2.5
91.05473	4.3
93.07045	3.5
94.06579	5.5
97.06527	2.2
104.05015	1.6
105.07048	6.6
106.06579	3.3
107.04981	3.3
107.08573	2.4
108.08128	2.5
110.06042	4.2
115.05441	1.9
117.05745	1.8
117.07070	2.7
118.06570	4.1
119.08596	3.8
120.04459	11.5
120.08125	4.1
121.02901	2.2
121.10162	2.0
122.06055	5.9
122.09625	2.5
123.04469	3.4
130.06538	2.2
131.08572	3.6
132.04416	3.5
132.08095	4.8
133.05244	2.9
133.06520	1.7
134.06033	3.8
134.09663	5.7
135.04404	3.1
135.08093	2.2
136.11275	3.5
137.05927	1.8
138.05530	6.9
144.08093	4.5
145.06465	2.9
146.09645	11.0
147.04486	3.4
147.07974	1.9
148.03935	4.6
148.11238	6.2
149.04715	3.1
150.05537	6.8
158.09708	4.2
159.10507	2.5
160.11250	6.8
161.05997	2.0
161.09644	2.2
162.05525	5.4
162.09195	4.1
162.12770	3.3
163.03928	4.0
164.07162	2.2
164.10696	2.2
166.12299	2.7
170.09630	2.3
174.09196	3.6
175.03938	6.8
176.07086	3.7
176.10747	3.4
176.14403	1.9
178.12358	2.5
180.13831	1.9
186.12872	5.9
188.10774	4.6
189.09116	2.9
190.08655	7.7
192.13840	1.8
193.04991	15.9
200.08939	1.7
200.10742	2.4
202.08725	2.8
202.12357	5.4
203.09319	2.8
204.10199	4.2
204.13911	4.9
206.11841	5.8
212.07220	1.9
212.10776	1.9
214.12299	7.1
216.10281	3.8
220.13483	3.6
224.12863	5.7
230.11786	5.4
231.12651	2.6
232.13374	6.0
234.11406	2.7
234.14990	4.0
235.12025	6.5
246.14897	2.4
262.14413	3.9
263.15244	2.6
264.16046	4.3
266.08139	6.5
269.10535	2.5
284.09317	9.4
312.08768	5.3
318.32861	1.8
330.09863	6.7
340.15741	2.0
366.16888	2.1
370.16702	3.4
376.15295	3.5
384.18295	2.1
386.16373	2.4
394.16418	9.5
398.15894	3.3
404.17014	3.0
412.17685	6.3
416.16910	5.5
426.19009	7.8
430.18491	4.8
434.18140	5.0
444.20309	17.2
448.20059	4.2
462.21252	78.1
463.21472	3.6
470.17941	3.5
478.17200	6.0
480.22305	99.4
488.19281	7.4
506.20294	64.6
507.20557	2.8
524.21320	100.0
525.21429	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3713
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
51.79212	0.3
56.05026	1.1
57.03426	0.6
57.07077	2.5
58.06344	0.3
58.06604	1.2
60.08166	16.8
61.20327	0.3
67.05504	1.2
69.92162	1.9
71.07367	6.4
71.08622	1.5
81.07028	0.5
85.10185	0.5
86.09708	48.2
95.08599	1.3
97.10149	0.4
98.98455	3.1
104.10746	100.0
105.11153	0.4
109.10147	0.6
125.00008	27.3
133.10121	0.5
143.01018	0.4
163.01561	0.8
184.07347	94.5
230.52121	0.4
258.11124	1.1
311.29080	0.5
341.30460	1.4
377.17545	0.4
431.15262	0.3
506.28714	0.4
506.36096	9.5
524.37134	29.8
525.37305	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09591	1.9
53.03947	5.1
53.13610	1.7
55.01870	2.5
55.05515	21.7
57.03445	10.4
57.07079	53.0
67.05506	41.9
69.07080	15.9
69.54379	1.8
71.05004	7.3
71.08640	35.0
76.67104	1.9
79.05493	25.5
79.91483	1.8
81.03424	43.5
81.07054	44.6
83.04993	8.6
83.08626	34.1
85.02910	22.5
85.10195	21.6
87.04453	1.8
91.05487	34.0
93.07043	21.1
95.04987	17.1
95.08618	41.8
97.02887	3.4
97.06521	2.8
97.10163	10.0
105.07037	24.4
107.04939	4.2
107.07958	2.0
107.08614	8.2
109.06555	3.1
109.10162	18.3
111.08113	8.5
111.11739	2.9
113.06021	2.9
119.08577	16.5
121.10168	11.5
123.11726	7.0
125.13295	3.0
129.07008	11.7
131.08595	8.6
133.10126	10.6
135.08096	2.7
135.11742	3.3
137.09579	2.2
145.10176	2.3
147.08049	4.1
147.11684	11.4
149.09628	5.2
157.10155	13.3
165.12807	1.9
175.11185	17.4
193.12251	44.5
193.13895	3.3
211.13290	46.7
221.22736	2.1
229.36116	1.9
239.23778	8.0
267.15991	14.6
313.27383	21.8
342.67029	1.9
372.19067	2.1
505.38934	14.6
523.40009	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31764	0.9
53.03945	3.5
55.01872	2.4
55.05271	1.3
55.05516	18.2
57.03443	7.5
57.07078	45.2
65.03934	1.8
65.09374	1.0
67.05506	32.3
69.03432	2.4
69.07069	14.8
71.05002	5.1
71.08635	31.3
79.05071	1.6
79.05498	21.4
80.76952	1.0
81.03423	41.6
81.07061	41.4
81.07536	2.1
83.04983	8.2
83.08624	27.5
85.02905	22.0
85.06553	1.9
85.10188	18.7
91.05484	23.4
93.07045	13.4
95.04971	17.0
95.08612	35.9
96.43641	1.1
97.02882	2.2
97.06548	3.3
97.10172	9.8
99.08108	1.5
99.11725	2.2
105.06405	1.7
105.07037	15.3
107.04962	3.5
107.08601	6.0
109.06515	4.1
109.10159	15.0
111.04450	1.9
111.08091	8.1
111.11732	2.4
113.06015	1.7
117.06998	2.0
119.05013	1.2
119.08594	12.4
121.10168	8.1
123.08045	1.8
123.11732	6.3
125.13280	1.0
129.07004	8.8
131.08614	5.9
133.06512	1.6
133.10136	8.2
135.11734	2.4
137.09636	1.2
137.13271	2.3
145.10066	1.2
147.08026	2.0
147.11691	12.5
149.09622	5.4
157.10124	9.5
165.12802	3.1
175.11194	12.5
177.05501	1.5
193.10443	1.5
193.12253	46.3
211.13304	50.8
221.22765	1.2
239.23657	7.9
249.14908	1.2
253.21741	1.1
261.54208	1.1
267.15915	7.7
291.96234	0.9
296.16205	1.0
313.27408	11.6
339.83157	1.1
345.81723	1.0
377.89972	1.0
505.38950	4.4
523.39990	100.0
524.40448	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07064	1.1
67.05495	2.6
69.07062	1.3
71.08623	1.1
79.05476	2.0
81.03429	0.8
81.07054	3.6
83.08611	1.3
89.03914	8.0
91.05481	1.2
93.07015	1.7
95.04971	0.8
95.08596	2.6
97.06539	0.7
98.21524	1.6
105.06976	0.9
106.04148	0.7
107.08582	1.4
109.10167	1.5
117.03380	24.6
117.83353	0.6
121.10130	1.9
134.03647	1.5
135.04402	0.9
145.02844	54.8
149.05963	7.6
154.94151	0.7
163.03954	1.0
177.05467	100.0
186.05524	1.5
188.60855	0.6
197.68987	0.7
197.95050	0.6
214.85588	0.6
350.23758	0.8
505.31586	2.1
523.23328	1.0
523.30316	6.9
523.37720	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16272	0.3
53.03922	0.5
55.05484	1.3
57.03431	2.7
57.15097	0.3
58.06597	15.9
59.07380	4.1
60.08165	9.9
63.75557	0.4
67.05503	4.1
69.07035	1.2
71.07373	3.1
73.02895	0.5
75.04454	1.2
79.05492	2.8
81.03406	0.5
81.07043	2.8
83.04948	0.4
83.08595	0.4
84.08119	0.5
85.02890	0.9
86.09704	31.0
87.04459	2.3
89.06001	1.5
90.52361	0.4
91.05482	4.2
91.89310	0.3
93.07029	2.3
95.04936	0.5
95.08578	1.6
97.10147	0.4
98.98465	2.9
102.05521	0.4
104.10745	3.4
105.07027	8.0
106.07362	1.8
107.08595	0.9
109.10152	0.8
117.07014	0.4
119.08556	0.7
121.06493	0.7
121.10123	0.5
122.52594	0.3
125.00003	20.4
129.06935	0.6
131.07016	0.6
131.08559	0.9
133.08588	0.6
133.10059	0.8
143.08496	0.5
144.10194	3.3
147.07957	0.8
162.11240	0.6
184.07336	100.0
185.07629	0.5
193.12250	0.4
236.14922	31.0
260.44653	0.4
335.76709	0.3
415.35812	0.4
418.34018	0.4
504.36813	8.2
522.37927	37.2
523.38330	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.0767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45977	2.4
54.40346	2.3
56.96566	46.9
63.75905	2.8
69.69592	6.3
69.70007	8.6
73.83868	2.9
89.03945	3.9
98.21512	3.9
105.00170	3.6
110.97604	3.5
115.51246	2.8
117.03369	4.5
119.01722	8.1
123.01196	4.0
135.04428	7.1
137.02750	23.7
145.02888	7.8
155.03848	5.2
163.03899	26.0
165.02258	9.1
171.03423	3.4
181.01758	10.9
183.03310	81.2
185.01048	3.0
191.00258	3.3
199.02771	28.3
201.02481	4.8
201.04362	71.5
209.01175	6.0
217.03859	12.5
218.99664	6.7
219.05460	7.8
227.02281	65.6
237.00731	24.4
245.03339	100.0
255.01726	12.7
263.04434	18.2
273.02817	7.8
281.03345	3.1
302.06812	3.0
315.03928	5.6
325.02304	2.7
335.00479	3.2
339.82724	3.4
343.03534	9.0
361.04773	3.0
363.07516	4.4
371.04523	5.2
389.05414	24.8
407.06516	29.9
425.07596	8.9
515.49445	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	522.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08929	0.3
52.58947	0.3
53.03933	0.8
55.01854	0.7
55.05488	1.2
57.03440	7.2
57.07061	0.3
58.06603	32.0
59.04995	0.4
59.07385	11.2
60.08167	9.2
60.87472	0.3
65.03915	0.3
67.05508	4.2
68.62403	0.3
69.07044	1.0
70.09680	1.3
73.02921	1.5
75.04122	0.3
75.04482	3.6
79.05498	4.0
81.07059	2.5
83.04902	0.3
84.08134	0.7
85.02905	2.6
87.04469	5.2
89.06003	0.4
91.05477	3.8
92.34789	0.3
93.05479	0.6
93.07035	2.6
95.04958	0.6
95.08611	2.1
97.06515	0.4
98.21402	0.4
101.05988	0.6
102.05534	0.6
103.03922	0.8
105.04437	0.3
105.05492	0.9
105.07039	4.2
106.07343	0.4
107.08575	0.9
112.75991	0.3
113.06009	0.6
117.07001	0.5
119.08583	1.6
121.00661	0.3
121.10146	0.4
129.05441	0.4
131.07039	1.8
131.08566	0.6
133.10152	0.6
133.49789	0.3
134.31073	0.3
144.10201	7.5
147.11687	0.3
162.11269	4.4
200.12794	0.8
215.20868	0.3
218.13852	0.7
226.30705	0.3
236.14935	100.0
237.15321	0.6
258.50867	0.3
341.55951	0.3
421.51834	0.3
460.37955	0.3
468.25418	0.3
504.36862	26.5
505.37009	0.5
522.37933	71.4
523.38354	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.5
56.05029	0.5
57.03436	0.4
57.07058	0.3
58.06579	1.3
59.07376	0.4
60.08165	6.8
61.02921	0.6
61.23305	0.2
67.05499	0.7
69.03430	0.3
69.07062	0.8
69.62141	0.5
69.62556	0.8
71.07375	3.4
73.02902	0.3
79.05507	1.0
81.03426	0.2
81.07051	0.8
83.08622	0.3
85.02924	0.4
86.09707	29.8
87.04450	0.4
87.10027	0.2
89.06061	0.4
91.05473	1.0
93.07050	0.5
93.23246	0.2
95.08618	0.8
97.02907	0.4
98.98460	3.1
104.10750	3.1
105.07040	2.5
106.07390	0.2
107.08579	0.5
117.07028	0.3
119.08584	0.4
121.10121	0.4
125.00005	21.2
131.00288	0.2
133.08563	0.2
133.10159	0.4
135.11737	0.2
146.53400	0.2
147.08015	0.3
166.39281	0.2
184.07341	100.0
185.07742	0.6
236.14883	2.0
504.34903	1.1
522.37384	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.3
55.05507	7.7
57.07067	5.2
67.05501	11.1
69.03443	7.8
69.07061	15.2
71.04977	12.5
71.48656	7.4
79.05490	22.1
81.03417	10.9
81.07059	100.0
82.19543	4.7
85.02898	20.7
87.00830	9.8
91.05484	16.1
93.07050	35.7
95.08613	32.9
97.02903	9.6
97.06527	10.6
102.73647	4.7
105.01875	17.3
105.07044	38.5
107.08594	54.1
109.02886	5.1
109.10156	29.8
111.11741	5.7
117.07053	4.8
119.08588	80.2
121.10126	5.3
121.20718	4.6
122.09659	10.7
123.11703	14.8
127.03938	13.3
127.11202	23.9
133.10144	33.3
135.11682	88.4
135.12607	8.3
137.05977	23.6
143.10696	14.4
145.10074	5.0
147.11690	21.9
153.12761	6.3
161.05968	27.4
161.13225	15.1
161.86067	4.7
163.14912	5.9
178.83891	4.4
203.07072	7.3
203.17976	53.8
209.08109	6.4
221.18999	41.7
236.07028	37.2
280.06131	13.0
308.05576	41.1
309.06454	6.4
351.12299	11.1
406.12701	17.5
462.92029	5.0
522.13947	42.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	2.2
56.05030	1.1
56.63734	0.4
57.03445	0.5
57.07066	1.2
58.06602	1.8
59.07380	0.5
60.08165	17.2
63.85382	0.4
64.35677	0.4
67.05515	2.1
67.76107	0.4
69.07069	2.8
70.49094	1.0
71.07372	6.7
71.08630	0.8
79.05482	1.3
81.03376	0.6
81.07077	2.3
83.08625	1.5
85.08064	0.4
86.09708	50.1
89.06032	1.6
91.05462	0.6
93.07042	1.7
94.58869	0.5
95.08623	2.4
97.10165	0.9
98.98453	4.3
101.46520	0.4
104.10746	89.1
105.07027	6.6
105.11068	0.4
105.15988	0.4
107.08591	1.1
109.10168	1.0
119.08572	0.5
121.06504	1.3
121.10138	0.5
125.00010	29.1
133.08589	0.7
147.08061	0.9
163.01566	0.8
184.07346	100.0
208.99255	0.6
209.11794	0.5
236.14919	0.8
258.11124	1.3
339.28836	0.8
350.66257	0.5
475.49442	0.5
504.27008	0.8
504.34457	7.6
522.35510	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	522.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.5
55.01880	1.9
55.05514	3.1
57.03431	1.7
57.10349	1.0
61.02912	1.5
67.05502	3.4
69.03434	6.7
69.07072	2.2
69.97360	4.5
79.05488	4.9
81.03423	8.4
81.07058	19.1
85.02909	16.1
87.00827	8.2
91.05477	7.2
93.07054	15.7
95.04974	4.6
95.08611	15.2
97.02902	6.5
97.06541	13.4
99.04488	2.6
105.01883	4.7
105.07042	34.6
107.08622	9.0
109.02866	7.4
109.06514	1.8
109.10163	2.1
117.01933	1.3
117.07030	1.6
119.08595	20.5
121.10159	3.8
127.03922	10.2
131.08549	2.6
133.10136	18.5
135.08051	1.6
135.11700	4.1
137.05962	2.4
137.09599	1.0
145.04973	4.6
145.10138	2.3
147.11696	3.3
149.13271	7.2
155.10657	4.4
157.10181	1.6
159.02887	2.5
159.11732	4.8
161.13269	49.6
165.12723	1.3
173.13260	1.9
175.14784	3.5
177.12827	3.3
179.14360	2.4
185.13326	3.0
191.14314	1.9
193.15889	1.7
199.40099	1.2
203.14331	8.4
221.15385	45.3
231.04987	1.2
239.16440	100.0
240.16719	1.0
356.21469	1.2
400.12115	1.1
408.73117	1.4
469.20905	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	4.9
64.44048	3.1
67.05514	7.3
69.03456	4.6
69.07078	7.7
70.16911	3.0
70.17272	13.7
76.02255	3.7
79.05503	7.2
81.03425	6.1
81.07048	18.7
83.08623	3.9
85.02911	8.0
91.05460	8.8
93.07053	9.7
95.08624	9.6
97.02897	4.7
97.06531	8.7
99.04458	4.4
101.36183	3.6
105.07045	22.1
107.08603	10.0
107.28264	3.2
109.10109	5.0
117.07069	4.1
119.08584	23.4
121.10165	8.8
123.11707	17.9
127.03926	6.7
127.65266	3.3
133.06522	4.1
133.10141	4.1
137.05980	11.0
137.71013	3.7
147.13191	3.1
159.11723	9.6
161.13272	100.0
165.09131	19.6
175.14870	4.3
190.21548	3.6
192.85948	3.6
203.14372	13.4
221.15367	86.8
236.07129	6.0
239.16414	62.3
308.05618	8.0
309.06360	6.6
406.12988	6.5
425.07513	7.6
522.14539	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	522.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.6
55.58521	1.0
59.16418	1.0
61.16130	0.9
67.05500	3.1
69.03436	2.5
69.07074	2.8
69.94810	5.1
79.05517	2.1
81.03413	1.6
81.07058	17.6
85.02908	3.9
87.00833	2.6
91.05495	2.2
91.17322	1.0
93.07050	5.5
95.08611	5.2
97.02882	2.9
97.06510	1.5
105.07046	16.1
107.08609	5.9
109.02902	1.2
109.10189	1.8
111.04427	2.6
116.67390	1.0
119.08585	26.2
121.06496	1.3
121.10155	4.8
123.11706	17.3
127.03920	2.3
131.08614	1.5
133.10146	6.2
135.11676	2.5
139.07556	2.4
145.10141	1.7
147.11696	1.5
151.07520	1.2
153.09151	1.1
159.11714	8.4
161.13264	100.0
162.13657	1.1
165.09111	3.3
175.14836	4.5
185.13220	1.5
203.14308	10.7
221.15381	76.4
222.15607	2.1
236.07045	2.5
239.16443	59.9
308.05624	3.1
385.79584	1.1
406.12723	2.7
495.85934	1.1
522.13696	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.6
55.01876	3.8
55.05506	4.1
67.05502	5.7
69.03431	8.1
69.07066	4.6
70.06588	5.0
70.68491	4.7
71.05006	3.4
73.36040	1.9
79.05482	9.0
81.03404	6.7
81.07062	12.0
82.06615	2.7
83.04984	3.3
84.04484	2.2
84.16848	1.9
85.02914	14.2
87.00819	4.6
91.05483	7.5
93.07053	15.4
95.04974	4.0
95.08604	19.1
97.02884	5.0
97.06528	14.9
99.04445	3.5
105.01852	2.9
105.07040	39.4
107.05059	2.0
107.08596	20.0
109.02878	4.7
109.06455	4.6
109.10152	5.4
111.08102	3.4
119.08580	44.4
120.08107	2.8
121.10175	7.9
123.04412	2.8
123.08068	12.4
123.11713	2.7
125.09563	2.1
127.03920	8.5
131.08578	3.6
133.10147	11.0
135.11682	6.4
137.06001	7.0
137.09615	2.7
137.13229	2.2
145.04953	2.3
145.10088	2.6
151.11089	2.9
159.02890	2.5
159.11703	5.5
161.05984	3.4
161.13271	100.0
163.03891	4.9
164.07048	6.1
179.14325	54.0
181.63519	2.0
203.14313	8.2
211.01967	2.1
221.15392	18.1
239.16431	73.3
250.14516	3.5
263.71378	2.2
274.10336	3.1
274.21722	2.1
398.16031	6.0
460.20050	2.7
478.20816	14.9
507.48065	2.2
522.19910	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	521.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	20.2
57.07077	7.9
65.03947	3.2
67.05508	99.9
69.07072	21.2
70.23433	8.9
71.05000	3.7
74.42654	2.8
77.66302	2.5
79.05502	44.4
80.94819	2.5
81.07066	82.9
83.08624	24.9
85.06546	8.8
85.10192	4.2
91.05479	25.1
93.07050	47.4
95.04993	5.2
95.08614	85.0
97.06550	16.2
97.10185	8.6
99.08105	4.7
105.07049	16.9
107.08589	34.1
109.10172	28.2
111.08094	17.5
119.08588	14.2
121.10159	56.1
123.08051	3.2
123.11726	12.2
131.08545	4.6
133.10144	28.0
135.08084	3.4
135.11696	53.5
137.09595	3.0
137.13263	4.5
145.10136	5.4
147.11688	8.1
149.13254	11.6
151.11209	5.8
159.11725	3.2
173.13287	5.7
179.92378	2.4
187.14847	4.1
209.11769	4.9
215.17963	24.2
217.19499	3.2
233.18985	14.6
235.20576	11.9
241.71538	3.2
251.20090	100.0
253.21584	5.6
269.21185	6.8
290.08908	2.8
313.27585	3.0
399.22214	2.6
456.25610	2.8
521.37653	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	521.4205
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61840	1.2
53.03940	2.9
55.05273	1.5
55.05516	19.5
57.03434	2.7
57.07069	4.4
65.03934	2.9
67.05510	89.3
69.07072	19.8
69.90476	2.5
69.90868	4.7
71.04975	3.5
71.08635	2.1
79.05495	45.5
81.07059	84.2
83.04990	2.5
83.08620	22.4
85.06531	4.0
85.10215	2.2
89.01278	1.1
91.05482	23.4
93.07050	55.7
95.04981	2.9
95.08611	85.1
97.06535	14.9
97.10158	8.1
98.21374	1.5
99.08096	4.2
99.83571	1.3
105.04574	1.5
105.07047	15.4
107.08599	30.5
109.10157	31.4
111.08089	17.8
117.07061	3.0
119.08597	11.6
121.10152	70.1
123.08056	2.3
123.11709	11.9
125.09618	3.8
131.08568	4.8
133.10135	27.3
135.08167	1.5
135.11699	60.1
136.12007	1.5
137.09639	5.6
137.13235	6.2
139.11230	2.9
145.10147	8.1
147.11685	6.5
149.13280	11.4
151.11180	7.4
153.12784	1.5
159.11676	5.0
161.13261	2.8
163.11156	2.0
165.12845	1.8
173.13284	4.3
175.14853	2.4
187.14841	3.5
215.17961	29.0
217.19531	4.8
233.19025	15.7
235.20573	13.6
251.20078	100.0
252.20494	2.3
253.21672	3.2
269.21051	7.0
289.65616	1.5
437.23587	1.3
450.73764	1.3
464.33499	1.5
521.38879	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	521.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.3
53.03946	3.2
55.01874	9.0
55.05512	30.4
57.03437	3.5
57.07078	51.5
59.04996	3.3
65.03944	2.9
67.05505	72.7
69.03446	1.9
69.07065	24.5
69.07421	1.9
69.79155	5.4
71.04998	5.0
71.08632	35.9
75.76327	1.0
79.05496	42.3
81.03414	13.2
81.07057	84.4
81.18768	1.2
83.01333	6.3
83.04982	13.8
83.08623	32.7
85.02900	3.8
85.06551	3.6
85.10184	19.9
91.05487	28.7
93.07046	53.3
95.04996	9.6
95.08611	82.7
97.02934	3.2
97.06525	11.2
97.10175	9.7
98.18766	1.1
99.04454	2.6
99.08118	2.2
105.04526	1.2
105.07025	19.5
106.38641	1.2
107.04956	9.2
107.08594	27.4
109.02872	1.1
109.06527	7.3
109.10161	33.4
111.04494	3.6
111.08097	8.6
111.11738	3.4
117.07021	10.5
119.08580	14.5
121.06544	4.3
121.10151	43.9
123.08072	10.3
123.11710	13.0
125.06027	2.6
125.09674	2.9
129.06998	2.5
130.07753	1.6
131.08569	6.4
133.10136	16.6
135.08098	4.2
135.11694	43.7
137.09668	4.7
137.13239	5.9
143.08549	2.8
145.06560	1.2
145.10141	18.5
147.08090	2.9
147.11726	5.2
149.09636	2.5
149.13258	6.9
151.07611	2.1
151.11223	4.2
151.14853	1.5
153.12805	4.3
155.08557	2.5
157.10149	2.5
159.11693	2.7
163.11189	28.3
165.09142	3.2
166.09419	1.2
171.11760	1.5
173.09668	4.2
173.13284	3.6
175.14806	1.3
181.12312	4.8
186.13815	1.3
187.14911	1.9
191.10719	5.3
193.12131	1.5
209.11703	9.9
215.17978	17.0
217.19528	2.1
221.15471	3.3
221.22839	1.8
222.15785	2.5
227.12798	10.9
233.19075	7.7
235.20601	5.7
237.14801	1.4
239.23705	11.9
248.14113	1.6
251.20068	52.5
253.21710	1.5
255.17267	1.4
256.17862	1.4
265.14511	1.3
269.21216	4.1
298.84723	1.2
303.19641	2.5
304.19937	4.9
305.77371	1.3
313.27426	2.5
458.68198	1.3
503.35587	1.8
504.35760	2.1
506.33768	1.8
521.38440	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.6
55.01878	2.7
55.05511	17.9
57.03440	3.2
57.07077	27.4
57.89148	0.9
59.05008	0.8
65.03942	1.8
67.05506	47.5
69.03450	0.9
69.07069	14.8
70.18974	3.6
71.04998	2.4
71.08636	18.5
79.05496	34.5
81.03433	3.3
81.07057	46.8
83.04987	4.9
83.08619	19.8
85.06549	1.4
85.10182	10.4
91.05482	16.0
91.06020	1.4
93.07046	43.2
95.04955	5.7
95.08608	71.1
97.02892	2.4
97.06544	6.3
97.10168	7.5
99.04477	3.2
99.08079	1.5
105.07029	11.4
107.04948	7.9
107.08595	29.7
109.06521	1.9
109.10166	16.8
111.04497	1.9
111.08059	6.2
111.11716	1.7
117.07014	7.6
119.08584	12.6
121.06507	4.9
121.10147	25.8
123.08128	1.2
123.11741	5.8
125.06008	2.1
129.07146	1.0
130.07809	2.0
131.08627	1.5
133.10136	11.8
133.81203	0.8
135.08087	2.1
135.11691	55.1
137.09615	1.7
137.13258	3.4
139.07545	1.8
139.11136	1.0
145.10133	21.1
146.10608	0.9
147.11729	2.3
149.13281	3.3
151.07578	1.2
151.11215	2.6
153.12738	1.9
158.96570	0.9
159.11798	1.7
161.13428	1.0
163.11189	48.8
173.13295	1.1
173.58911	0.9
181.12199	10.6
191.06999	1.0
199.24944	1.0
209.11797	2.7
213.22028	0.9
215.18013	7.3
217.19576	1.1
227.12787	100.0
233.19102	3.8
235.20581	4.3
239.21672	0.8
239.23700	4.3
251.20079	28.6
252.20511	0.8
253.21809	1.1
269.21222	1.3
313.27264	1.9
354.70575	0.9
503.37686	1.5
521.38507	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	521.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.6
55.01860	3.7
55.05513	13.4
56.16597	1.0
57.03420	3.2
57.07081	30.2
64.03751	0.8
65.03938	1.3
67.05510	26.7
69.03432	1.7
69.07073	12.4
71.04977	2.9
71.08636	25.2
71.49601	0.9
79.05499	27.9
81.03417	2.8
81.07063	31.0
81.07533	2.2
83.05004	5.3
83.08620	13.6
85.06568	1.1
85.10191	11.8
91.05489	9.5
93.07051	33.7
93.07641	1.7
95.04970	5.8
95.08612	52.5
97.02877	2.7
97.06547	3.4
97.10178	5.2
99.04451	4.2
99.11708	1.1
105.07025	7.5
107.04984	8.0
107.08601	21.5
109.06528	1.9
109.10160	9.4
111.04415	1.2
111.08038	1.3
111.11704	2.1
116.06252	1.0
117.07009	9.8
119.08598	11.5
121.06548	4.4
121.10152	11.8
123.11706	4.1
123.12522	1.0
125.06000	2.5
130.07774	2.3
133.10141	4.1
135.08086	3.3
135.11703	39.2
137.13251	1.6
139.07509	1.7
145.10129	25.0
149.13321	1.3
153.12703	1.7
163.11186	51.6
181.12267	12.0
181.16115	0.9
209.11774	3.9
227.12796	100.0
228.13208	1.3
239.23735	3.9
314.57715	1.1
521.38373	65.0
522.38885	2.5
529.63678	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49403	7.7
65.33758	8.2
65.95443	8.0
67.64874	8.0
68.95932	10.4
72.49780	8.6
118.06545	21.7
126.81371	8.8
144.07999	8.4
146.06050	66.9
151.00398	8.4
154.95502	8.0
156.54732	10.0
188.07094	100.0
189.28360	7.9
205.09779	45.9
269.24493	10.4
408.55692	9.3
415.15662	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	521.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.3
55.01861	7.3
55.05501	18.0
57.03421	14.5
57.07079	43.7
63.81698	5.2
67.05510	51.5
69.07055	18.4
71.08628	27.5
71.49252	5.5
71.49676	6.8
73.04762	7.6
79.05491	55.0
81.03416	42.1
81.07055	49.6
83.04973	12.7
83.08599	17.5
85.10170	18.5
91.05458	65.1
93.07037	41.2
95.04939	10.5
95.08613	26.9
97.06489	9.4
97.10146	7.7
103.05463	5.7
105.07028	26.3
107.04969	33.0
107.08569	21.7
109.10162	12.5
117.07008	45.9
119.08587	40.9
121.06516	8.8
121.10133	15.2
123.11710	8.4
129.06984	19.8
130.07780	8.2
131.08574	44.9
132.61929	5.6
133.10083	9.6
135.11684	32.3
145.06445	7.6
145.09219	6.5
145.10127	70.4
147.08014	16.0
155.08530	10.3
163.11171	100.0
164.11501	5.9
167.05553	9.9
173.09599	44.9
191.10678	54.2
204.45923	5.5
209.11685	7.9
247.13489	6.1
265.14383	71.4
273.44122	5.8
299.06113	7.8
301.05933	8.3
313.27423	75.5
466.51117	6.3
503.37180	15.6
521.38086	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	521.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.7
54.32174	4.5
55.05499	13.7
57.03444	11.2
57.07075	51.0
59.05001	6.4
60.71029	4.6
67.05505	46.1
69.07054	16.0
69.55204	4.7
69.55589	35.6
70.78837	5.4
71.08614	38.6
73.04730	5.7
79.05485	50.0
81.03411	19.8
81.07060	37.6
83.05004	10.9
83.06104	32.4
83.08631	17.2
85.10189	22.0
89.06018	12.3
91.05441	41.4
93.07049	26.9
95.04974	13.0
95.08622	27.7
97.10188	6.7
105.07041	31.3
107.04970	26.1
107.08578	19.6
109.10141	7.8
117.07017	33.4
119.08590	23.4
121.10147	12.1
123.11759	6.8
129.07021	14.7
131.08568	39.7
135.11719	25.8
145.10127	38.5
147.08002	12.6
155.08537	6.9
163.11189	67.3
166.07416	5.7
167.05666	6.9
173.09590	29.8
191.10663	44.0
191.17986	6.6
225.04305	13.6
265.14386	35.9
299.06100	15.0
313.27371	100.0
404.71664	6.8
503.37717	16.1
521.41541	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	520.4364
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88011	4.1
55.05504	13.8
56.06617	3.7
57.07075	9.1
67.05505	13.3
69.07075	19.2
73.04745	4.6
74.09723	5.2
79.05488	15.5
81.03408	4.7
81.07060	31.3
83.04959	4.1
83.08616	12.3
90.63600	3.7
91.05456	8.4
93.07040	14.5
95.08615	26.2
97.10161	9.4
98.20743	9.8
105.07018	15.4
107.08610	21.9
107.13223	3.4
109.10156	17.2
111.11719	6.8
117.07035	4.7
119.08592	19.5
121.10163	23.2
123.08064	5.0
123.11684	12.9
131.08563	7.6
133.10129	19.8
135.11697	16.3
137.13235	12.1
143.08569	5.5
145.10141	10.7
147.11703	10.8
149.13269	10.6
159.11737	9.1
163.11292	8.2
163.14877	22.1
165.09207	4.8
167.05542	5.1
175.14799	18.0
177.16449	13.5
181.12285	4.7
191.17976	32.6
217.19467	7.0
221.15430	7.2
229.26228	5.1
234.16148	4.3
255.21072	9.3
257.22693	4.9
269.22684	5.8
271.24237	13.6
300.06293	7.7
393.35211	39.9
411.36267	56.9
429.37378	7.4
439.35718	20.1
457.36670	13.4
513.59656	5.0
520.35632	55.2
520.43506	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
54.39399	0.4
59.19365	0.4
69.78107	1.5
69.78521	1.0
77.03928	0.7
84.62711	0.4
85.02919	0.6
89.80148	0.4
91.05493	0.9
91.35185	0.4
95.05000	0.5
97.49522	0.4
98.20874	0.6
103.05474	55.3
105.04523	0.6
105.07055	3.7
115.05448	0.9
119.04951	1.0
123.18468	0.4
131.04936	100.0
133.06508	2.8
137.06003	4.5
140.28639	0.4
147.04411	1.4
152.05717	0.4
161.06006	8.6
163.07555	25.1
175.07591	0.8
179.07016	0.4
187.07535	1.5
291.09915	0.5
311.13135	0.9
384.76425	0.4
521.26855	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.4364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.3
55.05511	21.5
57.07079	29.5
57.76577	3.2
58.48698	2.6
59.04987	6.4
63.17012	3.1
67.05512	25.9
69.03416	7.6
69.07074	20.2
71.04977	2.9
71.08630	5.1
71.49241	3.4
77.39757	2.6
79.05489	24.8
81.03388	3.8
81.07056	51.1
83.04957	10.7
83.08611	16.4
85.06522	6.4
85.10154	4.2
91.05484	28.4
93.07050	35.2
95.04950	10.9
95.08611	68.7
97.06509	12.3
97.10147	6.4
105.07035	47.8
107.04939	5.0
107.08591	48.3
109.06523	13.4
109.09491	3.1
109.10169	38.1
111.11686	3.8
115.05474	3.7
117.06992	10.2
119.08588	45.2
120.09312	3.2
121.06493	6.8
121.10148	41.6
122.10388	3.7
123.08048	14.1
123.11704	21.8
125.05996	15.6
128.06248	3.8
129.06976	4.0
131.08595	25.9
133.06467	5.5
133.10161	33.8
135.08054	15.3
135.11700	23.2
137.05913	4.6
137.09627	4.7
137.13260	15.7
139.07571	4.0
139.08823	3.1
141.06956	3.4
142.07730	4.3
143.08569	16.1
144.09346	5.2
145.10144	43.2
147.08035	13.3
147.11697	19.1
149.09642	14.7
149.13301	14.5
151.07539	8.6
151.14777	7.7
155.08528	7.5
156.09294	6.3
157.10167	24.7
159.08029	6.3
159.11720	32.7
160.08813	11.4
160.12427	5.4
161.09593	10.6
161.13229	12.2
163.11169	34.2
163.14862	7.6
163.30629	2.8
165.09105	17.6
169.10107	8.7
170.10883	3.0
171.11684	16.1
172.12117	3.5
173.09584	9.7
173.13269	15.0
175.11235	15.8
175.14787	6.5
177.09059	3.7
177.16403	5.4
181.10086	5.9
181.12228	17.2
183.11639	9.9
185.13226	7.3
187.11122	9.2
187.14867	5.3
189.09116	3.7
189.12704	7.8
189.16286	4.4
190.13490	8.5
191.10719	3.9
191.14247	4.1
191.17935	9.2
193.10121	3.2
193.12169	13.8
196.12453	3.3
197.13261	11.3
197.47734	3.2
199.11111	3.5
201.12749	9.7
201.16492	3.5
203.14278	7.8
203.17911	4.5
205.19461	5.6
207.11858	5.2
207.13777	18.2
208.12494	4.2
208.14412	7.0
209.13319	3.8
211.11102	4.5
211.14827	4.5
213.12828	4.3
213.16330	4.4
216.15068	4.2
217.19490	5.2
219.13724	8.5
221.13350	6.2
221.15312	27.0
223.14769	6.0
223.30669	2.8
225.12857	4.4
227.14334	3.5
227.17949	2.9
229.15938	5.5
233.15398	6.5
234.16116	12.8
235.16975	6.6
237.14644	6.6
239.14340	3.8
241.19765	3.4
247.16959	16.2
248.17676	4.7
251.14204	3.5
259.16867	4.2
265.15802	3.4
271.17218	3.7
285.18475	4.6
286.19244	4.1
287.20081	10.0
297.18457	5.2
299.20047	14.0
300.20782	4.3
311.20065	5.7
312.20670	9.8
313.21716	17.1
325.21603	14.2
326.22220	3.8
339.23346	14.7
340.23944	25.4
379.29590	3.3
411.36188	8.2
413.26740	9.9
425.27203	14.4
426.27951	7.2
427.28644	18.5
427.35062	3.6
439.35883	33.0
440.29291	75.3
457.36807	56.8
505.32690	5.1
520.35272	100.0
520.42609	6.9
521.36554	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	520.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42097	0.1
50.96111	0.1
55.05506	0.4
56.05029	0.5
57.03424	0.3
57.73263	0.1
58.06581	0.9
59.07390	0.3
60.08163	6.9
62.38877	0.1
67.05513	0.6
69.07067	0.3
69.50784	0.7
70.06580	0.2
71.07372	3.3
79.05492	0.3
81.07065	0.6
86.09704	31.5
87.04476	0.1
87.10046	0.1
91.05493	0.2
93.07081	0.2
95.08609	0.4
97.06525	0.1
98.98462	3.3
104.10745	3.2
105.06995	0.2
109.10168	0.2
125.00002	21.5
133.10069	0.1
152.25479	0.1
164.26598	0.1
166.06346	0.1
183.20346	0.1
184.07336	100.0
185.07689	0.4
236.14935	1.8
258.10944	0.2
337.27185	0.2
405.43549	0.1
502.33362	0.9
520.35028	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.7
55.01878	1.2
55.05507	3.6
56.05613	0.9
57.03431	0.9
57.07076	10.0
59.05003	2.0
67.05522	6.5
69.03423	4.0
69.07073	4.5
69.79812	5.0
69.95146	0.8
74.09708	2.9
79.05492	7.0
79.63570	0.9
81.03404	1.3
81.07058	10.4
83.04986	5.5
83.08611	2.9
85.06538	3.3
91.05480	10.8
93.07047	13.7
95.04971	5.3
95.08602	11.1
97.06526	4.1
97.10124	1.3
98.20831	1.5
105.07034	25.7
107.04945	2.8
107.08596	13.2
109.06541	6.0
109.10149	3.2
111.08077	1.1
117.07024	7.7
119.08585	26.3
120.09296	1.4
121.06532	4.2
121.10152	13.2
122.07274	1.2
123.08070	8.9
123.11734	1.0
125.05998	13.0
128.06232	2.2
129.07004	3.4
131.08568	11.5
132.09346	2.0
133.06480	3.1
133.10133	14.3
135.08076	10.7
135.11697	4.4
137.05971	1.2
137.09636	4.7
139.07507	0.9
142.07788	2.9
143.08588	9.7
144.09334	2.9
145.06506	1.9
145.10138	25.9
146.10843	1.6
147.08063	10.0
147.11697	3.0
148.08871	1.4
149.09633	11.8
150.10439	1.6
151.07571	5.9
151.11208	1.7
155.07225	0.8
155.08589	3.3
156.09314	2.4
157.10153	9.2
158.07269	1.6
159.08090	5.0
159.11713	21.6
160.08862	2.2
160.12509	3.0
161.09621	9.3
161.13284	4.5
163.07602	1.7
163.11212	21.0
165.09140	11.5
167.08556	1.1
168.09390	1.4
169.10138	3.6
170.10985	1.3
171.08002	1.9
171.11714	6.9
172.08881	1.8
172.12573	1.1
173.09615	6.4
173.13242	4.9
174.10355	1.1
175.11189	14.1
177.09145	3.6
177.12723	1.0
178.09894	3.0
179.08556	1.9
179.10767	1.4
180.11467	2.1
181.10141	3.2
181.12265	18.7
182.10999	1.7
183.11671	6.1
185.09634	2.9
185.13339	4.8
186.10344	1.1
187.11192	5.2
187.14828	1.7
189.09160	2.1
189.12738	5.4
189.49525	1.0
190.13568	6.2
191.10698	3.1
192.11533	1.1
193.10400	1.5
193.12198	10.6
194.11111	1.1
195.11732	4.1
195.13754	1.1
196.12445	1.4
197.09734	1.8
197.13260	4.6
199.11215	4.5
201.09085	1.1
201.12767	6.4
203.14333	6.4
205.12279	1.5
207.11700	3.3
207.13847	6.2
208.12651	1.2
208.14589	3.9
209.13290	4.5
211.11090	2.4
211.14787	1.9
212.12126	1.2
213.12785	4.0
215.14354	2.8
216.14987	2.0
219.11935	1.6
219.13811	7.8
221.13269	2.3
221.15344	25.5
223.11172	2.0
223.14842	2.9
225.12776	2.5
225.16444	2.0
227.14343	2.8
229.15906	2.7
231.13826	2.6
232.14624	1.3
233.13324	1.7
233.15463	4.0
234.16139	11.1
235.14952	1.2
237.12729	1.2
237.16504	2.0
239.14372	2.6
241.15868	3.1
243.13960	1.1
245.15324	2.3
247.16949	16.8
248.17786	4.4
251.14317	2.1
253.15952	2.9
257.15387	1.5
260.17813	1.9
261.18649	3.1
265.15958	1.8
267.17380	1.4
269.15396	3.9
271.16873	1.5
274.19507	1.7
279.17529	3.7
281.19092	2.2
283.16882	1.6
285.18423	1.1
286.19260	2.9
287.20050	3.3
289.19736	1.0
297.18555	4.4
299.20090	9.8
307.20523	3.2
310.19330	4.6
311.20087	4.2
312.20844	13.0
313.21622	13.0
321.22040	1.6
325.21561	11.1
339.23215	13.3
340.23969	37.5
413.27066	7.3
425.26865	20.9
426.27609	7.7
427.28461	31.7
440.29248	100.0
441.29846	2.2
505.33243	2.9
520.35559	74.0
521.36438	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75871	1.1
55.05509	1.1
57.03421	1.2
58.99583	2.3
61.02910	1.3
67.05495	4.7
69.03426	4.6
69.07060	2.5
69.78714	5.7
71.04987	2.2
74.61695	0.9
76.02229	16.4
79.05493	3.7
81.03418	2.8
81.07058	11.2
83.04981	1.7
83.08617	1.9
84.04488	2.4
85.02888	5.9
85.06565	2.2
86.99053	1.5
87.00832	1.5
91.05500	2.6
93.07047	8.5
95.04958	1.1
95.08591	3.1
97.02878	1.8
97.06528	4.0
99.04412	1.0
105.01868	1.3
105.07031	3.5
107.08569	6.6
109.02888	2.2
109.06522	5.1
109.10144	3.5
111.08069	1.4
111.93671	0.9
116.01670	4.9
119.08592	3.1
121.10143	7.5
123.08083	3.5
123.11682	3.1
125.09576	1.6
127.03915	3.0
130.05011	1.9
131.08554	2.0
133.10127	3.4
135.08173	1.3
135.11678	14.7
137.05994	3.4
137.09583	2.6
138.06310	1.5
142.03180	1.3
144.01170	3.1
145.04938	1.1
147.11707	4.3
149.13237	3.3
151.11192	11.2
153.12738	1.2
159.02962	1.3
159.11687	4.7
161.13300	2.2
162.02205	9.2
163.03912	1.4
163.11150	1.4
163.30832	1.1
165.12781	4.0
175.14627	1.3
177.12767	2.7
177.16322	5.6
179.04852	16.3
179.14363	1.2
191.18005	2.5
193.15807	1.7
193.29807	1.1
195.13861	2.2
201.16418	5.9
201.62582	1.1
219.17419	16.0
233.05898	3.1
237.18500	100.0
238.18877	1.2
251.35144	1.2
255.19560	41.7
273.09796	2.5
308.09103	7.2
391.18964	2.6
394.50436	1.2
498.05597	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03401	0.6
69.37393	4.8
73.06539	1.7
73.75512	0.6
76.22244	0.6
78.88708	0.5
79.33185	0.6
87.04467	8.2
89.06028	100.0
89.84981	0.7
97.06521	0.8
98.20738	0.8
107.07038	0.6
108.43407	0.6
115.99098	0.7
117.09119	0.8
125.99746	0.6
131.07071	2.9
133.08600	60.9
137.05974	2.2
175.09706	1.7
177.11226	19.2
177.12712	1.2
221.13782	4.4
226.36084	0.6
239.15024	0.7
239.63863	0.5
265.16562	0.8
266.27847	0.5
283.17551	0.8
288.14886	0.6
310.07135	1.4
316.96054	0.7
327.20206	1.2
396.86304	0.7
415.25333	0.8
458.12030	1.1
458.18085	1.0
459.28189	1.4
476.13531	3.6
502.17081	0.7
503.30585	6.5
520.34686	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.8
56.05033	1.4
58.06607	1.4
60.08167	17.1
67.05507	3.1
69.07065	1.4
69.87888	2.1
71.07379	6.8
79.05493	1.2
81.07061	3.3
83.08633	0.7
86.09711	54.3
89.06042	1.4
89.42712	0.4
91.05500	1.0
91.09429	0.3
93.07041	0.7
95.08606	2.1
96.00669	0.4
98.98458	4.6
104.10749	99.7
105.07017	2.6
105.11079	0.4
107.08616	0.7
109.10151	0.7
125.00015	30.1
163.01598	0.9
184.07350	100.0
249.13029	0.4
258.11063	1.2
327.17474	0.7
337.27417	0.9
398.81720	0.4
443.25580	0.5
502.32932	9.3
520.34021	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	520.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.1
55.01873	2.1
55.05498	3.4
58.15395	1.0
58.99589	17.7
59.15652	0.9
61.12236	0.9
62.36741	0.9
63.34390	1.1
64.56123	0.9
67.05183	1.3
67.05510	19.3
69.03402	1.1
69.07052	4.6
69.17285	10.1
70.28557	1.1
71.04983	4.3
76.02232	94.0
76.04002	3.8
79.05497	14.0
81.06600	2.3
81.07061	40.3
83.04989	5.3
83.08605	2.5
84.04505	16.8
85.02898	2.3
85.06560	2.1
86.99053	4.4
88.02210	2.0
91.05487	10.5
93.06493	1.4
93.07053	17.4
95.04962	2.4
95.08050	1.6
95.08608	14.8
97.02913	1.2
97.06536	8.1
99.08098	3.5
105.07035	10.0
107.04893	1.1
107.08609	8.5
109.06522	2.3
111.08084	2.2
116.00896	1.9
116.01678	23.8
117.06988	5.8
119.08591	5.3
120.08089	1.3
121.10138	4.2
123.08039	1.8
123.11694	3.4
130.05005	11.3
131.08565	5.3
133.10130	6.2
135.08052	2.1
135.11700	13.7
137.05954	4.6
142.03230	10.7
144.01135	13.4
147.11703	11.3
149.09618	1.1
149.13280	5.6
159.11713	12.0
162.02208	50.6
162.10808	1.0
165.12753	7.2
170.02658	2.5
177.12759	9.6
179.04863	100.0
183.13815	1.8
187.05370	2.5
187.07558	1.1
195.13789	10.1
205.06441	1.1
211.07529	1.0
215.04909	2.9
219.17323	1.3
221.63223	1.1
233.05914	18.3
237.18437	6.4
245.05865	4.5
255.19510	1.1
261.46304	1.0
271.13663	1.7
273.09814	2.4
288.16397	6.2
290.08014	1.5
291.06308	1.9
306.85733	0.9
308.09119	56.8
391.18878	6.4
445.19775	2.5
458.17917	1.8
463.27917	1.3
520.23267	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.6
64.98796	0.5
68.99788	0.6
69.03439	3.6
69.23153	1.7
69.23576	2.9
70.06587	0.9
73.43859	0.5
76.02236	0.7
78.01794	1.0
81.03410	1.0
81.07076	0.7
85.02905	8.6
87.00830	28.4
87.04460	2.6
91.05482	1.4
93.07023	1.0
97.02896	100.0
97.06515	1.3
98.03243	0.7
98.85287	0.5
99.04440	0.7
104.71737	0.5
105.01194	1.1
105.01874	14.4
105.07041	2.3
115.03943	2.6
118.11893	0.5
119.08594	1.6
124.70540	0.6
127.03964	1.0
131.08591	2.1
137.05978	1.5
138.06313	0.7
143.03418	0.6
143.08578	1.7
143.82100	0.5
145.04965	0.7
145.10150	0.6
157.10112	1.3
158.44049	0.5
163.04047	0.7
179.04907	0.6
181.04404	1.1
185.13254	0.8
199.14742	0.5
201.03947	48.1
202.04420	0.5
219.05002	15.2
219.07051	1.0
236.07703	1.8
272.16486	13.8
294.99936	0.5
310.08963	0.6
345.08221	6.0
363.09229	2.9
520.18933	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.2
55.01873	6.5
55.05512	33.6
57.03439	4.6
57.07080	6.7
58.35873	1.9
59.05002	3.3
65.03944	4.2
66.06701	2.4
67.05507	100.0
69.03423	2.5
69.07071	22.3
69.33094	10.9
69.33517	6.4
71.04603	3.7
71.04995	48.8
71.08627	3.3
73.57363	1.9
77.03940	3.0
79.05497	87.2
81.03423	7.6
81.07056	60.8
83.01321	2.0
83.04989	9.2
83.08627	19.7
85.02921	4.0
85.06551	4.9
87.04467	2.5
89.06022	2.5
91.05477	46.8
91.06022	3.0
93.07048	80.0
95.04964	10.0
95.08613	46.2
97.06541	8.3
97.10181	8.2
99.08112	3.6
103.05454	2.3
105.04539	2.8
105.07045	28.3
107.04992	5.4
107.08591	30.2
109.06509	3.4
109.10158	54.5
111.08096	5.5
117.07055	9.7
119.08574	29.9
121.06509	3.6
121.10147	43.8
123.08095	5.2
123.11719	4.7
125.09679	5.4
129.07024	4.7
131.08585	11.3
133.10135	11.1
135.08080	3.9
135.11696	29.3
137.09631	20.4
139.11191	4.2
143.08600	2.0
145.10112	17.4
147.11729	7.5
149.09665	2.4
149.13222	2.4
151.11163	3.1
153.12775	2.7
155.10693	3.8
157.10162	2.5
159.11717	5.2
163.11194	16.5
169.12256	4.7
173.11862	2.9
173.13306	3.8
181.12317	6.4
189.09128	2.6
200.51289	2.2
210.73618	2.3
213.73656	2.5
215.17949	2.6
225.11284	2.8
227.12825	6.3
237.22148	3.7
271.15424	3.7
283.15439	2.8
299.06287	4.3
427.32431	3.4
475.34027	17.9
487.34409	6.2
501.35501	5.8
519.36914	83.4
520.37073	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	518.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47510	5.3
54.57287	5.8
55.05515	12.5
57.07078	7.2
67.05503	19.0
69.07043	11.5
71.08628	6.1
74.09721	36.0
79.05491	8.6
81.07058	32.5
83.08601	7.9
88.33942	5.7
93.07024	16.0
95.08635	34.0
97.10175	14.6
105.07037	10.8
105.71572	6.2
107.08585	20.1
109.06516	6.1
109.10165	50.9
119.08579	12.8
121.10112	15.4
123.08076	100.0
123.11734	16.1
125.09631	9.6
127.11150	12.9
133.10085	16.3
135.11691	14.8
135.88725	5.8
137.09598	14.0
145.10056	5.9
147.11702	15.1
149.13242	7.9
152.98697	5.4
163.14742	7.3
173.13319	6.3
181.12228	19.1
185.13319	6.3
259.24765	5.8
275.23697	60.5
303.23181	13.3
381.35812	6.0
407.32465	6.0
409.34396	6.2
425.34006	17.8
427.35654	10.4
437.34076	26.0
443.35251	15.8
455.35172	15.2
518.34235	23.2
518.41913	61.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.2
55.01877	26.4
55.05514	60.8
57.03444	31.4
57.07077	70.3
65.03961	6.0
67.05498	39.8
69.07075	60.1
71.01346	4.6
71.04993	8.9
71.08627	41.8
79.05494	56.5
81.03422	38.7
81.07063	45.7
83.01344	6.4
83.04987	13.6
83.08612	50.0
85.10191	24.0
89.06025	8.7
91.05486	100.0
93.07048	41.6
95.04974	17.7
95.08614	46.1
97.10168	35.3
103.05468	4.9
105.07046	52.9
107.04961	27.3
107.08584	21.1
109.10149	20.1
111.11716	8.5
115.05452	14.7
117.07017	60.1
119.08586	44.9
121.06516	8.0
121.10136	17.3
123.08063	20.5
123.11669	8.7
128.06238	56.6
129.05463	17.4
129.07005	86.0
131.08597	15.1
133.06511	15.5
133.10123	10.7
135.11705	15.7
143.08554	71.7
145.06480	22.5
145.10147	18.2
147.08063	33.3
153.06993	8.2
153.39037	4.7
155.08530	5.6
159.02841	4.3
161.09625	53.3
163.11183	26.3
164.82451	4.8
171.08054	51.3
181.12369	4.6
189.09134	73.5
191.10684	4.9
207.10184	8.5
209.11722	10.1
227.12814	10.1
263.12811	30.2
275.23581	7.1
280.55286	4.9
305.65359	5.7
313.27359	92.5
502.36090	5.7
519.36731	93.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71616	0.1
52.55196	0.1
55.05511	0.2
56.05050	0.5
56.89743	0.1
57.03443	0.2
58.06630	0.3
59.07364	0.1
60.08166	6.4
67.05505	0.7
69.07073	0.2
69.76757	0.2
69.77164	0.5
70.06595	0.1
71.07377	3.2
79.05478	0.2
81.07062	0.3
86.09708	30.3
87.10008	0.1
91.05492	0.3
93.07056	0.4
95.08614	0.3
96.72732	0.1
98.98463	3.3
104.10747	2.9
105.07024	0.2
109.10198	0.1
117.26750	0.1
121.10180	0.1
125.00008	20.7
170.11087	0.1
184.07346	100.0
185.07738	0.5
205.53886	0.1
256.65140	0.1
258.10971	0.3
335.25735	0.2
425.95517	0.1
471.04172	0.1
500.31387	1.0
518.32422	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.6
55.05511	1.3
56.05029	1.1
57.03428	0.6
58.06609	1.3
60.08164	17.5
66.92755	0.3
67.05505	3.8
69.05149	0.3
69.07063	1.2
69.73341	1.9
71.07371	7.8
75.80804	0.3
79.05491	3.6
81.03423	0.6
81.07053	3.4
82.07391	0.5
83.08611	0.9
86.09705	52.8
87.10062	0.3
91.05481	2.8
92.05807	0.4
93.07043	4.1
95.04967	1.2
95.08606	1.9
97.10194	0.7
98.20761	0.5
98.98466	4.3
104.10741	100.0
105.07020	1.4
105.11037	0.5
105.43962	0.3
107.08588	1.3
108.08907	0.3
109.10148	0.8
111.08020	0.3
117.06959	0.5
118.14233	0.4
119.08594	1.4
121.10134	1.3
125.00004	31.6
129.07028	0.5
129.32596	0.3
131.08543	1.1
133.10144	0.6
145.10100	0.5
161.13133	0.3
161.95888	0.3
163.01495	0.5
184.07338	98.4
185.07787	0.5
258.10992	1.5
335.25803	0.5
426.30301	0.6
500.31137	6.9
518.32294	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.2
55.05498	3.8
58.99583	14.1
59.05016	1.2
67.05508	6.3
69.07030	1.8
70.27917	3.5
71.04987	2.2
76.02229	84.9
76.03978	2.0
79.05502	11.1
81.07062	7.8
83.04967	2.9
83.06094	1.4
84.04497	12.8
86.99051	3.0
88.02216	2.1
91.05479	23.0
93.07048	11.2
93.49424	0.9
96.04531	1.0
97.06499	1.6
97.36018	1.0
105.07027	35.5
107.08574	8.3
109.06532	2.3
116.01669	20.0
116.06258	1.8
117.06991	1.5
119.08580	13.6
121.10159	9.8
129.07019	7.4
130.04997	8.7
131.07599	2.1
131.08559	30.4
133.10136	16.1
135.11696	3.2
142.03209	8.3
142.07732	2.6
144.01138	13.9
145.10110	4.1
147.08136	1.6
147.11646	8.7
149.09613	3.2
157.10118	5.2
162.02209	50.7
163.11176	3.8
170.02713	3.6
175.11186	15.1
179.04855	100.0
181.12181	4.0
187.05315	2.6
193.12251	5.8
215.04913	2.5
233.05910	18.2
239.96289	1.1
245.05911	3.9
265.03424	1.0
269.11975	1.3
286.14737	4.6
291.06378	1.7
308.09109	44.5
353.89197	1.0
389.17294	6.1
393.43188	1.1
395.95966	1.1
443.18411	1.7
518.21613	3.1
520.66583	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83456	0.3
55.05511	1.0
56.05029	1.3
58.06604	1.4
59.07379	0.4
60.08167	18.6
67.05501	2.8
69.07063	0.8
70.61787	0.7
70.62131	0.5
71.07373	8.0
79.05501	1.8
81.07050	2.1
82.70929	0.3
83.05030	0.4
86.09708	53.8
91.05491	0.9
93.07039	2.1
95.08638	1.5
98.98471	4.3
104.10746	92.3
105.07029	0.9
105.11059	0.5
107.08648	0.5
109.10133	0.4
119.08617	0.6
125.00006	32.4
129.27275	0.3
163.01488	0.7
181.02625	0.4
184.07346	100.0
185.07640	0.5
217.49258	0.3
251.34102	0.4
258.11115	1.1
282.59064	0.4
335.25507	0.4
366.36258	0.3
500.31366	6.7
518.32440	20.2
519.32501	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62148	1.2
53.03952	4.1
55.01865	2.4
55.05511	14.8
57.03426	6.1
57.07074	4.3
60.92033	1.2
67.05508	39.6
69.03420	1.5
69.07078	14.4
71.04996	1.7
71.08636	2.2
79.05495	30.6
79.92516	1.3
81.03427	3.9
81.06591	2.8
81.07062	42.0
81.07544	2.7
83.04984	1.7
83.08628	9.9
85.06551	2.6
89.06030	1.8
91.05482	27.5
93.07051	31.2
95.05010	4.6
95.08612	34.3
97.06540	3.9
97.10181	4.9
99.08100	2.4
105.07036	31.3
107.04972	1.5
107.08595	22.9
109.10154	14.7
111.08089	1.9
113.00098	1.3
117.07031	10.3
119.08595	25.6
121.06504	1.5
121.10155	18.5
123.08101	1.3
123.11678	6.4
125.09645	3.1
127.31349	1.3
128.62601	1.3
129.07011	6.7
131.08583	18.4
133.06442	1.4
133.10146	20.4
135.08063	1.5
135.11716	10.2
137.05959	1.3
137.09601	2.0
139.11159	1.7
142.07857	1.2
143.08577	6.7
145.10143	18.8
147.11691	18.4
149.09532	1.4
149.13258	6.2
155.08617	1.8
157.10144	6.8
159.11703	14.3
161.13254	9.3
163.14876	3.4
165.12794	1.6
169.10199	3.3
171.11717	5.4
173.13255	11.1
175.14943	4.3
177.12863	2.2
183.11774	3.5
185.13329	5.8
187.14844	7.0
189.16391	1.9
197.13303	3.2
199.14891	3.6
201.16518	3.1
211.14978	1.9
215.17908	1.4
219.17445	2.1
227.18184	1.7
233.19101	1.6
241.17844	1.9
241.19862	2.1
259.20700	3.9
285.22275	1.9
287.23605	2.0
299.23798	1.6
300.60876	1.3
301.25406	1.9
313.25369	1.5
317.25140	1.2
326.81073	1.4
329.24814	1.4
331.26468	1.6
361.27396	1.6
363.25058	1.5
391.28595	1.3
405.30383	2.6
407.33298	4.0
425.34283	12.1
443.35391	6.9
499.38303	19.9
517.39038	100.0
518.39270	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3893
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
52.62148	1.2
53.03952	4.1
55.01865	2.4
55.05511	14.8
57.03426	6.1
57.07074	4.3
60.92033	1.2
67.05508	39.6
69.03420	1.5
69.07078	14.4
71.04996	1.7
71.08636	2.2
79.05495	30.6
79.92516	1.3
81.03427	3.9
81.06591	2.8
81.07062	42.0
81.07544	2.7
83.04984	1.7
83.08628	9.9
85.06551	2.6
89.06030	1.8
91.05482	27.5
93.07051	31.2
95.05010	4.6
95.08612	34.3
97.06540	3.9
97.10181	4.9
99.08100	2.4
105.07036	31.3
107.04972	1.5
107.08595	22.9
109.10154	14.7
111.08089	1.9
113.00098	1.3
117.07031	10.3
119.08595	25.6
121.06504	1.5
121.10155	18.5
123.08101	1.3
123.11678	6.4
125.09645	3.1
127.31349	1.3
128.62601	1.3
129.07011	6.7
131.08583	18.4
133.06442	1.4
133.10146	20.4
135.08063	1.5
135.11716	10.2
137.05959	1.3
137.09601	2.0
139.11159	1.7
142.07857	1.2
143.08577	6.7
145.10143	18.8
147.11691	18.4
149.09532	1.4
149.13258	6.2
155.08617	1.8
157.10144	6.8
159.11703	14.3
161.13254	9.3
163.14876	3.4
165.12794	1.6
169.10199	3.3
171.11717	5.4
173.13255	11.1
175.14943	4.3
177.12863	2.2
183.11774	3.5
185.13329	5.8
187.14844	7.0
189.16391	1.9
197.13303	3.2
199.14891	3.6
201.16518	3.1
211.14978	1.9
215.17908	1.4
219.17445	2.1
227.18184	1.7
233.19101	1.6
241.17844	1.9
241.19862	2.1
259.20700	3.9
285.22275	1.9
287.23605	2.0
299.23798	1.6
300.60876	1.3
301.25406	1.9
313.25369	1.5
317.25140	1.2
326.81073	1.4
329.24814	1.4
331.26468	1.6
361.27396	1.6
363.25058	1.5
391.28595	1.3
405.30383	2.6
407.33298	4.0
425.34283	12.1
443.35391	6.9
499.38303	19.9
517.39038	100.0
518.39270	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	11.5
55.01866	9.4
55.05509	36.0
57.03433	12.3
57.07067	7.5
65.03948	5.1
67.05507	90.0
69.03397	4.8
69.07069	28.6
71.04993	5.6
71.08632	5.0
79.05495	100.0
81.03413	17.3
81.06612	5.6
81.07060	88.1
83.04984	23.2
83.08611	16.4
85.02872	4.9
85.06538	7.3
87.04446	4.8
91.05490	91.3
93.06487	7.2
93.07048	84.9
95.04965	16.5
95.08609	55.2
95.32525	3.6
97.06520	10.3
97.10161	6.2
98.20721	9.2
102.14565	4.2
103.03932	6.8
103.05456	4.2
105.07034	58.8
107.04961	28.0
107.08608	39.7
109.06521	11.8
109.10175	24.4
111.08158	4.4
113.00014	8.6
117.07013	17.0
119.08578	43.2
121.06535	5.8
121.10143	36.5
123.08066	7.3
123.11698	7.7
128.36362	3.4
129.06990	9.1
131.08589	30.5
133.10114	39.4
135.08026	7.8
135.11708	25.6
135.31969	3.8
137.09587	4.7
143.08551	11.8
144.44139	3.8
145.10130	24.1
147.11717	20.5
149.09669	9.1
149.13223	11.2
151.11212	11.8
157.10127	20.6
159.11635	10.8
161.13287	8.5
163.11183	13.6
171.11671	8.0
173.13220	6.6
175.11206	9.4
183.11720	4.1
185.09447	3.5
185.13304	9.1
187.14787	5.7
193.12230	10.7
197.13310	5.3
213.16428	4.0
215.17932	11.2
227.12762	4.9
229.34023	4.6
233.18994	10.3
253.47408	5.0
267.15894	28.6
281.17136	4.6
307.22708	34.8
331.26373	5.0
338.52130	4.0
425.30255	4.7
499.34164	52.8
517.35223	44.2
517.65057	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	517.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.9
55.01874	5.2
55.05518	32.1
57.03431	13.7
57.07094	6.7
67.05513	98.3
68.90806	3.6
69.07079	32.2
70.06625	4.0
70.31190	9.3
71.04996	7.2
71.08622	6.2
79.05500	67.8
81.03429	21.8
81.07056	68.3
83.05015	5.6
83.08620	12.3
85.02916	5.5
85.06559	4.5
87.04472	8.7
91.05490	85.3
93.07049	82.5
95.04991	11.1
95.08617	62.3
97.06542	9.2
97.10184	5.4
103.03938	8.8
105.07055	33.0
107.04929	6.5
107.08624	31.7
109.06512	7.0
109.10174	30.3
111.08054	4.1
112.99994	5.3
117.07011	20.2
119.08591	66.3
120.08851	4.1
121.06548	9.1
121.10145	33.2
123.08066	8.4
123.11742	7.3
125.09591	4.4
129.07022	8.3
131.07033	4.1
131.08577	27.2
133.10147	21.2
135.08061	11.4
135.11681	19.4
137.09645	20.8
139.11148	5.8
141.07021	5.2
143.08577	11.6
145.10109	16.2
147.08066	8.4
147.11690	15.5
149.09599	9.2
157.10097	13.0
159.11707	16.7
161.13289	5.5
165.09088	20.0
168.43027	3.6
169.10109	7.4
171.11725	6.9
173.13246	13.9
177.12679	6.0
183.10204	10.3
183.11703	7.3
185.13216	8.1
187.11227	6.5
197.13321	4.3
215.17998	5.2
239.12762	6.8
261.22141	7.8
264.85782	4.3
275.20108	4.8
281.05273	3.9
303.23425	5.7
335.25836	6.4
407.29257	12.0
408.15833	4.0
425.30261	12.0
499.34399	35.1
517.35126	100.0
532.78644	4.4
533.61346	4.3
541.88965	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89219	2.8
52.89890	2.5
53.03933	10.2
53.21160	3.1
55.01854	7.1
55.05515	29.2
57.03433	16.9
57.07059	5.0
57.71555	2.4
61.74286	2.6
65.03934	5.6
65.44875	2.6
66.19311	2.8
67.05506	84.4
68.04561	2.7
69.03414	4.1
69.07075	20.4
71.04981	7.1
71.08618	5.2
79.05079	4.5
79.05495	66.4
80.56151	2.6
81.03423	31.6
81.06601	4.6
81.07063	76.0
81.42607	2.6
82.95684	2.5
83.04972	6.9
83.08619	14.6
85.02924	3.1
85.06512	4.6
90.15502	2.6
91.05484	100.0
93.07047	71.9
95.04971	13.6
95.08063	4.8
95.08616	56.4
97.02921	4.6
97.06525	8.4
97.10175	7.1
103.05495	4.3
105.06393	4.3
105.07037	44.2
107.00403	2.6
107.04949	16.2
107.08602	32.9
109.06503	5.8
109.10168	24.5
111.08072	6.6
112.00198	2.7
113.00034	7.2
114.61848	2.8
117.07023	31.9
119.08588	65.7
121.06477	13.5
121.10143	33.9
123.08087	7.1
123.11691	10.8
129.07028	14.9
131.08556	29.3
133.10130	18.1
135.08044	26.2
135.11691	13.9
137.09612	17.3
141.06982	3.4
143.08549	11.9
145.06453	7.3
145.10141	18.2
147.08072	27.6
147.11717	17.3
149.09639	6.5
149.13240	9.2
155.08551	9.2
157.10120	12.7
159.08136	3.6
159.11690	19.6
161.13260	12.0
163.07539	5.9
163.14836	5.6
165.09122	21.1
169.10121	12.0
171.11691	13.4
173.13240	14.4
175.14786	4.7
179.14352	4.6
181.10077	3.3
183.11720	9.5
185.13235	11.5
187.14815	4.9
195.11693	3.9
197.13240	3.9
199.14839	7.5
199.16609	3.3
201.16312	3.7
207.11719	3.9
209.13225	5.1
218.32523	3.3
235.14699	2.8
237.11128	11.8
237.16367	3.1
239.12785	42.0
243.21103	4.6
259.20386	3.7
261.22119	20.9
313.21408	3.2
317.24738	5.0
335.25854	31.1
389.28113	8.8
395.29489	3.1
400.78271	3.4
405.29962	7.2
407.29800	16.6
425.30396	13.3
443.31400	5.7
489.35977	3.7
499.34225	47.1
517.35327	65.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	1.9
53.03945	6.7
55.01864	5.2
55.05511	27.0
57.03447	9.7
57.07077	3.3
59.17544	1.4
63.51202	1.4
65.03931	4.0
67.05509	54.1
69.03412	5.2
69.07068	13.4
69.84127	3.5
69.84521	2.9
71.04986	6.1
77.03885	1.8
79.05495	85.5
81.03420	46.8
81.06596	3.3
81.07056	55.9
81.07532	3.3
83.05001	7.5
83.08620	27.3
85.02909	22.9
85.06564	3.4
90.95776	1.4
91.05486	50.7
93.07044	65.3
95.04970	29.2
95.08611	27.6
97.02888	2.8
97.06510	5.3
97.10160	10.2
99.08087	4.4
103.05526	2.0
105.04527	2.9
105.07036	42.5
107.04967	5.7
107.08591	21.4
109.06513	5.8
109.10164	14.7
111.04433	1.9
111.08076	9.1
113.06003	3.3
115.05420	2.1
117.07021	11.0
119.08587	25.9
119.09400	2.7
121.06512	2.8
121.10148	46.5
123.08057	3.7
123.11728	3.6
125.09605	6.7
129.06999	10.4
131.08580	18.1
132.93056	1.5
133.06490	3.5
133.10143	18.4
135.08072	3.7
135.11710	10.4
137.09645	2.9
141.07097	1.5
142.07751	2.3
143.08562	5.6
145.06508	2.1
145.10156	11.6
147.08034	4.0
147.11702	16.0
149.09602	5.3
149.13255	3.3
151.11201	1.6
155.08521	1.8
157.10147	12.5
159.11690	12.2
161.13268	4.4
163.11186	1.6
165.12738	4.1
169.10144	2.9
171.11697	3.6
173.09808	1.6
173.13274	5.0
175.11208	13.3
175.14862	2.6
183.11627	2.0
185.13297	2.0
189.11261	2.8
193.12241	43.6
194.12575	1.5
211.13283	46.6
215.17963	6.2
227.12831	4.4
233.19011	4.3
239.18005	2.2
257.19128	2.0
267.15826	7.1
273.22128	5.1
285.17102	2.1
289.21570	1.6
307.22748	4.8
381.43430	1.6
402.51230	1.5
407.29434	4.9
425.30417	6.8
443.31250	1.9
499.34180	20.0
517.35260	100.0
518.35828	3.3
530.21533	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78513	1.6
51.18785	1.5
53.03922	7.9
55.01863	4.6
55.05510	16.7
57.03450	9.0
57.07054	3.6
65.03923	2.6
67.05504	59.2
69.03416	3.9
69.07072	41.9
71.04976	5.4
71.08627	2.9
73.06548	3.8
74.17632	1.5
78.45208	1.6
79.05494	49.1
81.03420	43.0
81.07056	68.6
83.04989	8.4
83.08617	10.0
87.04459	2.6
91.04912	2.9
91.05478	45.4
93.06499	3.0
93.07046	44.3
95.04967	14.4
95.08604	60.4
97.06528	12.6
97.10155	4.6
99.08092	3.1
103.05458	2.3
105.07039	37.6
107.04935	6.6
107.08594	35.0
108.65795	1.8
109.06492	6.1
109.10154	25.7
111.08076	4.3
112.99967	1.6
115.05459	3.0
115.07540	2.1
116.06205	1.7
117.07018	18.3
119.04947	2.1
119.08584	39.3
119.77962	1.7
121.06487	8.9
121.10144	19.7
123.08047	7.3
123.11717	9.8
125.05968	7.6
129.07002	13.8
130.07791	2.2
131.08563	31.3
133.06448	5.6
133.10138	24.9
135.08043	6.8
135.11713	15.0
137.09610	15.6
137.13220	2.7
141.06949	6.4
142.07718	1.9
143.07045	14.0
143.08583	12.4
145.06497	3.2
145.10112	22.1
147.08020	7.1
147.11693	15.1
149.09639	8.8
149.13225	6.4
151.11168	2.6
155.08578	5.4
157.10112	12.2
159.08031	4.1
159.11711	21.4
161.08075	2.8
161.09612	5.3
161.13246	10.4
163.07538	2.3
163.11113	3.1
163.14809	4.9
165.09085	11.8
169.10089	7.6
171.11661	10.2
173.09555	3.5
173.13289	12.0
175.11172	4.3
175.14803	5.0
177.09076	4.0
177.12709	3.6
181.10098	2.3
183.11650	6.4
185.13237	9.1
187.14799	8.2
189.12680	2.7
191.10657	1.8
191.14285	2.4
195.11661	1.9
197.13222	5.4
199.09642	11.5
199.14821	5.8
201.16380	3.8
203.14407	2.0
205.12221	3.3
209.13225	2.4
211.14871	2.0
213.16400	3.8
215.17859	2.1
217.15965	2.0
219.13788	3.3
221.13371	2.1
223.14767	2.7
225.16385	2.3
227.17932	2.8
231.17516	2.3
233.15434	2.9
239.12756	18.4
243.21109	2.9
259.16922	2.8
261.22128	12.0
269.18869	2.2
273.22043	2.2
285.22064	5.7
299.23630	5.7
301.25449	10.6
302.25232	2.0
303.22876	2.5
315.19650	2.4
317.24649	4.3
327.23093	3.4
335.25879	16.3
345.24121	3.2
373.67911	1.8
377.23120	2.5
379.29761	2.8
389.28183	4.7
393.22729	2.4
397.31168	2.3
401.27057	8.8
407.24164	4.4
407.29285	14.4
419.28195	2.1
425.30396	26.3
443.31470	7.8
462.53302	2.0
481.32761	6.2
499.34125	64.8
517.35046	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.5
55.01865	9.3
55.05272	3.5
55.05512	38.5
57.03432	8.6
57.07079	5.4
62.82944	2.1
65.03928	3.9
67.05509	69.0
69.03433	4.8
69.07062	15.4
69.07363	2.5
69.18172	4.8
69.18566	21.2
70.24741	2.6
71.04980	7.1
71.13520	2.0
77.11815	2.9
79.05497	62.8
81.03419	23.4
81.06596	4.1
81.07061	63.2
83.04985	7.6
83.08621	21.4
85.06538	3.0
91.04979	3.9
91.05494	46.6
93.06483	4.2
93.07047	53.2
95.04974	21.2
95.08607	45.3
97.06531	9.3
97.10180	25.5
98.21638	3.7
99.08097	3.8
105.07036	46.2
107.04958	8.9
107.08604	34.9
108.07117	2.0
108.82935	2.1
109.06523	5.3
109.10165	22.9
111.08089	6.8
115.05457	3.6
117.07024	18.8
118.51064	2.2
119.08585	35.0
120.26233	2.2
121.06522	7.9
121.10141	21.5
123.08069	6.7
123.11698	10.2
125.09624	16.7
128.06252	4.3
129.07005	13.8
131.08603	26.6
133.06525	3.5
133.10129	27.3
135.08051	11.3
135.11693	20.8
137.09651	3.9
143.08572	10.1
145.10124	21.3
147.08047	2.9
147.11687	17.5
149.09604	10.1
149.13275	9.5
153.09166	3.2
155.08575	6.8
157.10152	13.6
159.08084	3.5
159.11694	18.9
161.09608	4.8
161.13290	10.7
163.11183	8.9
163.14816	2.5
169.10123	5.8
171.10260	2.8
171.11687	6.3
173.13248	16.3
175.11206	5.7
175.14920	4.7
177.12741	3.6
183.11728	6.5
185.13277	6.7
187.14984	4.5
189.11259	9.0
189.12779	2.9
191.14279	3.0
192.10983	2.6
193.12279	9.9
197.13347	3.8
199.14908	3.4
201.12653	2.4
203.14322	2.9
209.13342	3.3
215.17963	9.0
227.12775	15.3
233.15471	3.5
233.19061	14.2
251.20122	3.2
255.21133	5.7
257.19110	5.7
260.59122	2.3
267.15915	23.4
267.19806	2.4
271.20422	2.7
273.19452	2.5
273.22189	17.3
275.19934	2.5
287.20010	4.0
307.22726	13.7
309.22003	2.4
313.21548	2.8
317.21625	2.4
331.22601	4.4
389.23181	2.3
389.28152	3.0
397.30609	2.8
407.24713	2.8
407.29538	13.5
425.30429	18.5
443.31622	10.9
499.34262	60.2
509.67252	2.9
510.87479	2.5
517.35278	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66195	1.7
53.03951	9.5
55.01867	4.1
55.05272	2.6
55.05516	35.9
57.03452	10.9
57.07076	2.9
59.32190	1.9
65.03936	3.6
67.05142	2.7
67.05507	57.9
69.03442	4.6
69.07072	17.3
69.66875	10.5
71.05000	5.5
77.03941	2.4
79.05499	97.8
81.03422	49.9
81.07062	58.4
83.05001	11.3
83.08624	26.3
85.02907	28.1
85.06548	3.7
91.04918	3.1
91.05488	61.8
93.07049	79.4
95.04975	26.0
95.08614	33.4
97.06555	7.2
97.10160	8.0
99.08121	5.1
103.05512	2.4
105.04553	3.7
105.07039	41.6
107.04972	5.1
107.08598	23.8
109.06519	5.7
109.10160	17.8
111.04445	4.2
111.08094	11.1
113.06029	1.8
115.05451	2.5
117.06999	11.2
119.08586	32.0
119.09378	1.1
121.06498	3.7
121.10147	50.2
123.08072	3.6
123.11746	4.1
125.09664	8.4
126.16103	1.5
129.07018	12.2
131.08577	23.9
132.02744	2.0
133.06537	3.5
133.10135	20.3
135.08067	4.0
135.11682	11.4
137.09639	4.6
142.07782	2.6
143.08492	3.7
145.10114	12.6
147.08034	2.7
147.11703	17.2
149.09642	6.2
149.13283	3.9
157.10139	15.1
159.11690	10.6
161.13245	3.9
163.11217	4.2
165.12790	5.3
169.10136	2.6
171.11719	6.4
173.13295	7.4
175.11180	13.5
183.11745	3.4
185.13228	1.7
191.14360	1.9
193.12262	51.3
195.11707	1.9
211.13300	51.6
215.18066	4.9
233.19041	3.9
239.12892	2.5
267.16043	6.6
273.22235	3.0
307.22760	3.2
407.29480	6.1
425.30612	8.6
481.32803	1.8
482.24973	1.8
499.34213	19.3
517.35315	100.0
518.35858	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	517.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36260	2.0
53.03919	6.7
55.01860	5.4
55.05518	23.7
57.03403	9.1
57.07042	3.5
65.03903	3.0
66.82362	2.2
67.05509	78.8
69.03394	3.3
69.07071	27.1
70.66579	5.1
70.66920	3.1
71.04963	5.6
77.03892	3.0
79.05493	55.3
81.03432	25.5
81.07059	65.2
83.04961	6.1
83.08582	8.4
85.02901	10.3
91.05485	100.0
93.07046	77.0
95.04931	8.6
95.08617	68.6
97.06469	7.8
97.10145	4.7
101.06010	3.7
105.04493	5.4
105.07043	32.9
107.04888	4.3
107.08608	34.3
109.06496	5.5
109.09495	2.6
109.10157	35.2
117.07004	16.2
117.93106	2.2
119.08586	88.8
121.06525	5.1
121.10143	32.4
123.07984	3.7
123.11649	7.7
125.05948	3.4
129.07010	11.0
131.08580	22.4
133.06424	3.1
133.10141	21.1
135.11690	11.2
137.08688	3.0
137.09615	38.3
142.07727	2.3
142.36873	2.2
143.07033	4.2
143.08496	12.6
145.09201	2.1
145.10118	20.5
147.08011	5.1
147.11696	16.6
147.88942	2.1
149.09584	3.1
149.13181	9.6
155.08524	4.7
157.10077	9.8
158.75479	2.1
159.11702	15.4
161.13173	8.8
165.09106	26.5
169.10057	5.3
171.11629	7.6
173.13226	9.9
175.14745	4.0
183.10057	12.4
183.11642	6.8
185.13220	7.5
187.14784	5.4
190.48132	2.1
194.21024	2.1
195.11588	2.8
199.09566	4.7
199.14737	4.5
209.13239	2.8
211.14708	3.7
221.13324	2.3
223.14717	3.0
225.16223	2.6
239.12656	6.3
261.21936	6.6
285.22043	3.9
301.25159	4.1
317.24414	2.6
327.22824	3.4
335.25876	13.6
379.29843	3.4
381.79395	2.5
389.27835	2.5
398.00034	2.6
407.29099	11.1
425.30295	7.2
443.31177	3.5
451.01849	2.4
481.32758	4.2
499.33612	31.8
517.34839	90.5
518.35596	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	516.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33135	0.4
69.32765	3.0
71.48335	0.3
84.35399	0.3
91.05479	0.3
95.07335	0.7
97.06544	0.5
106.24928	0.3
110.38531	0.3
117.70739	0.3
121.02860	0.5
122.05993	0.7
123.04372	0.6
123.06886	0.7
130.06514	0.7
131.07275	1.5
132.08084	0.9
135.04390	0.4
137.05972	0.9
144.08145	0.3
149.02321	0.6
150.05504	1.2
151.06299	5.9
152.06657	1.1
156.08031	0.5
158.32593	0.3
159.06776	2.7
163.02127	0.8
164.05319	2.3
171.06773	0.8
172.07565	2.0
173.08369	1.9
176.05286	3.2
177.02025	0.4
177.06079	9.9
188.05266	0.5
188.06966	0.6
190.03139	0.5
191.03978	2.3
192.04774	94.1
193.05104	0.7
204.04857	2.1
205.05562	6.1
206.06351	41.7
207.06689	0.4
211.74225	0.4
220.04268	8.8
221.05023	3.7
222.05833	10.4
232.04268	0.5
248.10597	0.6
248.12857	6.5
249.13116	2.6
251.12651	0.4
276.10028	0.5
280.07904	2.5
292.09680	0.5
293.10519	0.6
298.08911	1.0
308.07187	0.5
310.05325	0.7
325.07675	0.6
326.08347	0.9
339.05505	0.6
349.09332	0.5
354.07904	6.4
356.09549	7.1
382.07437	30.7
383.07657	0.6
400.08490	16.5
401.08905	0.4
402.56082	0.4
452.86310	0.4
516.09601	100.0
517.09894	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.3
56.05022	1.1
57.98793	1.2
58.99587	20.5
67.05491	1.3
69.03444	0.8
69.07070	6.5
69.23773	3.3
69.24206	2.8
70.06573	0.6
70.24627	0.6
70.40115	0.6
71.04986	2.2
73.01143	0.9
76.02231	81.5
76.03989	3.6
79.05502	7.3
80.21793	0.7
81.07046	2.1
83.04989	1.3
83.06123	1.6
84.04508	20.0
85.01080	0.6
86.99063	6.8
88.02223	2.2
91.05485	5.5
93.07046	9.2
94.06606	0.7
95.04983	3.7
95.08575	0.7
97.06517	1.5
99.04461	1.0
99.05580	0.9
105.07037	6.1
107.04955	6.7
107.08588	7.2
109.06509	1.3
111.04420	1.0
114.03735	0.7
114.60657	0.6
116.01685	28.4
117.07013	2.0
119.04974	1.0
119.08595	4.1
121.06524	6.5
121.10156	8.0
123.04395	0.8
123.08056	0.8
125.05980	2.3
129.06532	3.0
130.05014	5.7
131.08572	19.1
133.10101	1.1
135.04393	0.8
135.11688	3.2
137.05959	2.1
141.05510	1.7
142.03238	7.3
142.04974	0.7
143.08519	1.2
144.01152	15.2
145.10130	11.5
147.08063	2.5
149.06012	1.2
149.09621	9.5
153.05460	7.7
153.06569	1.4
153.70857	0.8
157.68526	0.7
161.09616	1.4
162.02211	46.4
163.11172	10.4
165.03787	0.6
165.05499	0.6
165.09145	1.4
170.02664	3.3
173.09647	1.2
176.94652	0.6
179.04861	100.0
187.05400	2.1
189.09154	1.7
191.10660	8.6
207.10158	1.9
209.11732	29.3
215.04823	1.4
233.05920	10.2
233.08054	1.6
245.05843	3.5
267.10532	0.6
284.13132	11.5
291.06418	2.1
294.11594	1.4
308.09161	10.8
369.14731	9.5
387.15820	1.3
441.16879	5.8
498.18716	0.9
516.20221	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
55.01863	0.5
55.03747	0.4
55.05499	1.3
56.05029	1.4
57.03415	0.7
58.06591	2.2
59.07369	0.4
60.08165	16.7
67.05496	3.8
69.07044	1.0
69.91930	1.8
71.07002	0.5
71.07375	7.3
79.05502	2.7
81.03415	0.4
81.07053	3.0
86.09706	50.8
91.05487	4.6
93.07044	2.7
95.08621	2.0
98.98466	4.5
104.10742	100.0
105.07038	2.4
107.08620	1.0
116.83919	0.4
117.07034	1.0
119.08569	1.3
120.91998	0.4
121.10146	0.8
125.00005	29.4
131.08566	1.0
133.10143	0.7
135.11740	0.5
143.08572	0.5
145.10159	0.5
149.09541	0.5
154.66817	0.4
163.01616	0.5
183.11839	0.5
184.07339	89.8
208.62755	0.4
258.10944	0.9
367.87018	0.5
419.16467	0.5
451.20874	1.5
498.29977	7.1
516.30786	20.4
517.31470	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.4775
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07069	0.6
58.06577	0.6
58.77807	0.5
67.05505	0.6
69.01780	0.4
71.49586	0.5
74.06089	4.4
74.09722	100.0
78.33736	0.6
87.04479	0.6
284.86276	0.6
450.94162	0.6
461.86658	0.9
463.87796	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29073	0.4
54.25053	0.3
61.43567	0.3
67.22672	0.3
67.26833	0.3
69.08619	0.3
70.66013	1.1
77.33876	0.3
101.95995	0.4
113.68967	0.3
115.05489	0.3
121.02852	0.5
122.89912	0.4
123.04466	0.5
130.06517	0.8
131.05038	0.3
131.07269	1.0
132.08095	1.0
135.02602	0.3
136.06169	0.4
137.02309	0.5
148.21057	0.4
149.02286	0.7
159.06787	3.1
160.07579	0.3
163.04079	0.3
164.05302	2.0
171.06824	0.4
172.07602	1.2
173.08380	2.2
175.04559	0.9
176.05328	3.2
177.06088	11.1
187.06252	0.5
188.05426	0.6
188.07120	0.9
189.07755	0.5
191.04027	1.2
192.04785	100.0
193.05138	0.9
204.04820	2.3
205.05550	5.1
206.06361	42.7
207.06682	0.4
220.04279	8.5
221.05075	3.3
222.05846	11.6
232.04308	0.5
276.10199	0.5
278.08194	0.3
280.07779	2.9
287.64490	0.4
292.09723	1.1
293.10486	0.7
298.08896	0.8
307.16202	0.4
320.09067	0.5
321.10043	0.6
325.07880	0.4
326.08551	1.0
354.07913	6.0
356.09546	6.5
372.09055	0.6
377.42627	0.3
382.07455	31.6
383.07904	0.6
386.63327	0.4
398.31567	0.4
400.08533	16.7
434.93808	0.4
516.09619	91.7
517.10065	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.8
53.03951	5.0
55.01878	4.7
55.05269	1.7
55.05513	20.8
57.03433	5.3
57.07071	2.2
65.03937	2.9
67.05509	44.2
69.03429	1.8
69.07068	17.0
69.68971	6.0
71.04988	3.5
73.02911	1.4
77.03928	1.9
79.05499	75.2
81.03428	7.1
81.07061	50.4
83.04979	6.7
83.08624	9.2
85.02901	2.7
85.06545	1.8
85.59656	0.9
91.04913	2.1
91.05487	42.4
93.07050	76.2
95.04991	10.2
95.08614	56.2
97.02898	5.7
97.06528	8.1
97.10181	3.2
98.98476	1.1
99.04472	2.8
99.08119	2.7
103.05469	3.6
105.04516	3.4
105.07041	32.6
107.04959	9.9
107.08604	44.2
108.08846	1.0
109.06530	4.2
109.10157	7.8
111.04459	1.2
111.08072	2.2
113.09689	1.2
115.05470	2.9
116.06290	1.0
117.07024	20.8
117.07850	1.2
119.07806	1.8
119.08591	23.1
121.06512	10.1
121.10152	35.4
123.07262	1.4
123.08055	7.3
123.11737	2.5
125.05994	3.1
125.09612	2.9
127.07586	1.4
128.06277	1.8
129.05530	1.5
129.07007	6.4
130.07793	3.0
131.08582	16.1
133.06482	2.4
133.10133	12.7
135.08069	7.1
135.11699	50.6
137.09618	3.0
139.07597	1.3
139.11195	1.1
141.06993	2.4
143.07079	1.4
143.08559	6.2
145.06534	2.7
145.10139	33.8
147.08078	2.5
147.11670	7.3
149.06070	1.1
149.09648	3.3
149.13292	3.7
151.07544	2.1
151.11160	1.6
153.09268	1.2
155.01062	1.1
155.08536	3.1
157.10191	6.1
159.08113	2.7
159.11696	9.1
159.67896	0.9
161.09650	1.9
161.13303	2.6
163.07547	3.5
163.11191	57.3
165.06969	0.9
165.09189	1.0
167.08539	1.7
169.10167	2.8
171.08089	2.3
171.11687	4.7
173.09665	2.6
173.13274	4.5
175.11203	1.8
175.14883	1.5
181.08698	1.6
181.10193	2.6
181.12254	13.2
183.11789	3.8
185.09642	1.9
185.13284	4.2
187.11263	2.0
187.14766	1.9
195.11731	2.0
197.09555	1.2
197.13342	2.6
199.11250	1.6
201.12772	1.7
209.11716	2.8
209.13451	1.1
211.14919	1.9
213.12630	1.1
215.17931	5.9
223.09610	1.1
223.14781	1.2
225.11179	1.1
227.12793	100.0
231.17456	1.1
232.45496	1.0
233.19150	5.0
241.19550	1.1
264.31607	1.0
271.20557	1.7
273.22043	1.2
274.53305	1.0
283.15509	3.4
289.21631	1.4
299.20117	1.0
299.23572	1.1
325.21640	1.3
333.24280	1.2
364.05554	1.1
377.28601	1.3
387.26968	1.8
395.29413	2.2
405.27798	6.5
423.28824	8.9
441.30023	4.1
479.31418	1.3
487.34006	2.2
497.32596	14.2
515.33728	92.1
516.33746	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.3
55.01876	9.3
55.05512	15.3
57.03417	4.2
59.05012	2.6
61.75656	1.7
63.01405	1.3
65.03944	2.7
67.05508	50.5
68.23957	1.7
69.03419	3.4
69.06759	1.4
69.07078	12.8
69.17662	16.0
71.04985	6.7
77.27570	1.4
79.05497	80.8
81.03407	7.7
81.06602	2.1
81.07056	39.2
83.04971	3.8
83.08610	5.0
85.06534	2.9
89.33917	1.5
90.83817	1.5
91.05482	44.2
93.07046	56.1
95.04958	5.4
95.08617	28.1
97.02894	8.3
97.06527	5.7
97.10159	3.5
98.20759	3.6
99.00815	2.9
99.04454	14.1
103.05440	3.4
105.04485	2.5
105.07034	18.6
107.04961	22.8
107.08602	66.3
109.06487	3.1
109.10168	11.3
111.04424	4.2
111.08043	2.2
115.05446	6.7
117.06244	2.9
117.07026	45.7
119.08578	15.3
121.06507	15.2
121.10145	20.5
123.08049	2.1
123.11685	4.8
125.09591	5.8
129.06975	4.4
131.08559	12.5
133.06464	2.4
133.10136	10.7
135.08064	65.1
135.11697	16.0
143.08569	4.1
145.06465	8.4
145.10127	9.6
147.11743	7.5
149.13254	8.2
153.09113	11.2
155.08554	2.6
157.10114	2.3
159.11725	7.8
161.13239	4.9
163.07549	62.7
163.14752	2.0
169.40894	1.5
171.11624	2.4
173.13261	5.8
175.14839	2.2
181.08621	18.5
181.10088	3.2
183.11737	2.1
185.13225	2.6
187.14958	2.1
199.09665	100.0
199.14870	2.3
201.16351	3.0
243.21149	4.2
255.12350	2.2
261.22119	21.3
297.21594	1.9
317.24692	4.3
369.24203	1.7
385.51834	1.9
423.28714	3.5
441.29724	3.6
497.32846	5.2
515.33276	84.9
516.33344	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99457	1.0
51.09967	1.0
53.03937	2.5
53.91855	1.1
55.01867	4.8
55.05515	23.9
57.03429	4.3
59.04986	1.5
65.03923	1.7
67.05508	33.3
68.28947	1.0
69.03440	1.7
69.07065	6.9
69.39277	7.6
71.04984	3.4
77.03927	1.6
79.05498	34.7
81.03423	7.7
81.07059	28.5
83.01334	1.5
83.04993	6.3
83.08608	11.3
85.02907	1.9
85.06523	1.7
91.05485	25.0
93.07046	30.3
95.04967	6.4
95.08607	15.4
97.06540	2.9
97.10172	10.1
99.08067	1.9
103.05456	1.6
105.04551	1.1
105.07024	22.3
107.04974	3.8
107.08596	15.2
109.06540	3.3
109.10139	7.9
111.04420	1.8
111.08080	3.1
115.05457	1.7
117.07025	12.1
119.08572	15.0
121.06506	2.8
121.10164	14.6
122.33286	1.1
123.08085	2.3
123.11749	1.9
125.09633	8.5
125.60191	1.3
128.06230	2.5
129.06969	7.3
130.07814	1.4
131.04971	1.6
131.08578	14.1
133.10138	10.6
135.08084	3.1
135.11699	8.2
141.07016	2.4
142.07802	2.3
143.08559	7.1
145.06473	2.1
145.10130	16.9
147.08058	2.7
147.11690	5.7
149.09644	3.1
149.13290	1.8
153.07072	1.9
153.12823	1.6
155.08603	3.8
156.09331	1.1
157.10135	8.5
159.08081	2.1
159.11719	9.3
161.09631	2.1
161.13280	2.2
163.11192	8.6
165.75754	1.2
167.08446	1.4
168.09088	1.1
169.10130	6.1
171.08047	2.1
171.10382	2.2
171.11696	8.6
173.09633	2.4
173.13258	5.3
175.11295	2.0
181.10197	3.0
183.11716	5.1
185.09724	1.7
185.13290	5.0
187.11229	2.3
187.14841	3.1
189.09795	1.1
189.11183	6.1
189.12718	1.5
193.10147	1.6
195.11667	2.6
197.13249	3.9
199.11186	1.6
199.14899	1.2
201.16437	1.3
207.11734	1.8
209.11549	1.6
209.13327	2.0
211.14815	2.6
213.12675	1.5
213.16504	3.1
215.18008	3.1
225.16341	1.5
227.12737	6.3
231.17467	3.2
233.18990	2.5
253.19603	2.9
255.17505	3.5
267.15811	1.6
271.20547	7.3
273.18546	1.5
283.15479	1.7
325.21793	2.0
329.21017	1.6
338.20120	1.3
340.19852	1.1
343.22824	1.5
387.26913	2.1
395.29489	3.0
405.27924	5.2
423.28812	10.3
441.30411	5.2
459.31375	1.6
471.31232	1.3
487.34311	1.4
497.32758	13.3
515.33704	100.0
516.34161	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	515.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63968	5.6
51.02383	6.2
53.03934	13.5
55.01854	10.1
55.05512	43.0
57.03429	19.3
58.40865	5.8
59.05004	10.5
67.05514	100.0
69.03423	13.8
69.07066	37.8
71.04990	18.2
71.10114	13.2
73.14429	6.7
79.05495	88.3
81.03416	23.9
81.06602	10.0
81.07054	94.5
83.04977	17.8
83.08599	24.6
83.71022	6.7
85.02896	17.8
91.03951	7.1
91.05482	82.2
93.07054	93.6
93.38754	7.8
95.04945	11.9
95.08610	70.5
97.02882	15.1
97.06531	19.4
97.95701	7.3
105.07036	65.1
107.04915	15.8
107.08618	55.5
109.06525	15.1
109.10162	31.1
111.04411	9.0
117.07001	26.7
119.08610	47.6
121.10180	45.9
121.22976	5.9
123.08018	7.6
123.11705	9.5
125.09628	12.1
128.06219	6.0
129.07001	22.0
131.08583	50.4
133.06538	8.1
133.10123	44.4
135.08031	12.5
135.11703	29.3
137.06084	6.2
141.06979	15.0
143.08571	13.2
145.10107	38.4
147.08066	8.5
147.11674	29.4
149.09636	8.4
149.13226	14.8
155.08546	10.6
155.98442	6.1
157.10115	16.6
159.11700	35.8
161.13239	13.5
163.11125	12.9
169.10017	14.1
171.08170	8.5
171.11682	13.3
173.13211	23.8
175.14819	7.2
177.12712	7.4
183.11703	8.5
184.07338	8.4
185.13286	12.8
187.11125	9.3
187.14865	10.8
201.12907	6.4
209.11676	10.6
225.12730	7.8
243.21149	11.6
261.22064	25.6
275.20184	12.5
345.24237	12.6
353.26700	10.1
405.27664	11.1
423.28763	9.7
441.29288	8.1
497.32330	32.0
515.33636	81.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22112	2.1
53.03938	7.0
55.01865	6.9
55.05515	26.4
57.03437	6.8
57.07069	2.8
61.02909	2.9
65.03937	3.3
67.05510	74.3
69.03419	5.0
69.07066	20.2
71.04990	6.2
71.48445	2.1
71.48891	2.5
73.02911	2.4
77.78558	2.0
79.05496	90.0
81.03428	4.5
81.07060	78.3
83.04964	7.9
83.08630	12.9
85.02886	6.2
91.05482	48.6
93.07049	99.1
95.04976	15.3
95.08614	68.2
97.02859	7.6
97.06539	10.3
97.10149	3.1
99.04472	5.2
99.08100	2.5
105.04527	3.2
105.07038	35.1
107.04956	9.0
107.08601	49.3
109.06520	5.8
109.10165	19.8
111.08060	4.5
117.07021	23.4
119.08588	27.5
121.06497	4.6
121.09336	4.0
121.10153	51.1
123.08071	2.9
123.11677	6.6
125.05954	3.0
128.06169	2.6
129.07013	6.7
130.07805	2.6
131.00925	2.3
131.08583	20.1
133.10130	18.6
135.08031	6.4
135.11700	63.2
137.09605	2.6
141.06976	2.7
143.08603	4.6
145.06439	2.8
145.10129	39.8
147.07983	2.2
147.11734	9.9
149.09613	4.2
149.13264	8.6
151.11139	4.3
152.95488	2.3
155.08528	2.1
157.10106	6.0
159.11720	11.7
161.13257	5.1
163.11194	62.1
163.14851	4.2
169.10249	2.3
171.11772	3.2
173.09686	2.4
173.13254	10.5
175.14853	2.8
177.12741	2.8
181.12227	14.3
185.13191	2.7
187.14862	2.7
209.11674	3.1
215.17912	8.5
227.12791	100.0
233.19147	4.7
237.34390	2.5
243.21049	6.4
247.16908	3.0
261.22095	20.5
283.15378	3.4
303.23300	2.4
332.46606	2.1
335.25836	5.7
345.24582	2.3
353.26907	4.7
497.31836	6.0
499.20099	2.8
515.33783	65.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	7.5
55.05510	7.6
57.03439	8.0
57.07081	29.9
60.08159	7.6
67.05502	19.9
69.07058	4.1
70.06563	6.1
70.82713	12.5
71.08639	28.5
74.09705	10.6
74.12812	4.6
76.98382	4.0
79.05502	34.2
80.75243	4.0
81.07064	17.5
83.08663	5.6
85.10216	8.1
85.60252	4.8
91.05479	17.6
93.07043	35.6
95.08592	21.0
97.10166	7.3
98.21454	4.3
100.12012	4.0
105.07053	8.3
107.08584	18.2
108.28633	4.8
109.10122	6.7
119.08622	8.0
121.10143	27.4
121.47097	4.5
129.06963	4.9
131.08580	10.4
149.09627	72.2
219.10175	4.4
256.26431	5.9
257.26810	11.4
258.27090	6.8
283.26270	7.5
284.26700	12.1
285.26956	7.8
313.27374	100.0
408.30655	4.4
492.13174	4.3
514.34418	12.9
514.51050	45.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
63.88187	0.6
69.07064	3.0
69.18134	4.1
69.18559	2.3
73.06573	0.7
80.05032	1.2
91.05491	1.7
91.82394	0.8
94.06580	2.8
94.09567	0.7
95.07343	6.3
97.06533	5.0
106.04173	0.6
108.04473	1.7
114.37200	0.6
119.04960	1.1
120.29492	0.9
121.02869	1.0
122.06042	16.5
123.06824	14.6
133.06519	0.7
137.05988	9.6
147.04419	1.1
150.05510	23.7
151.06293	100.0
152.07047	1.2
157.45847	0.7
159.06799	1.2
163.04016	0.8
164.05376	0.8
176.05304	1.7
177.06082	6.0
188.07027	0.9
189.09155	1.7
191.04086	0.7
192.04785	44.9
193.05112	1.0
204.04782	0.8
205.05524	2.0
206.06343	20.2
220.04250	5.0
220.13435	1.0
221.05051	1.9
222.05754	4.1
230.11877	0.7
233.11751	8.4
248.12837	96.2
249.13173	1.4
250.14418	6.9
251.12843	5.0
280.07953	1.2
354.07913	2.8
356.09436	2.9
382.07440	14.9
400.08475	6.0
468.98270	0.7
515.08618	0.9
515.16162	0.8
516.09631	41.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.6
55.01866	1.7
56.05034	3.4
57.03423	2.5
59.99092	1.7
61.02904	1.9
61.04020	1.2
62.99074	5.9
67.05504	1.5
69.03440	8.4
70.06589	5.6
70.82803	1.4
70.83134	2.2
72.04510	3.7
73.02929	2.3
75.98592	44.7
79.05482	1.2
80.05019	1.9
81.03416	12.0
84.04503	9.0
85.02914	22.9
85.04028	53.6
85.07660	2.5
87.00831	7.5
97.02900	8.1
97.04021	2.3
98.06064	3.6
99.04456	3.6
100.02199	2.1
103.03961	8.1
103.08703	2.8
105.01198	7.1
105.01850	3.3
105.07098	1.3
106.06551	4.1
108.04527	1.5
109.02891	10.7
111.01907	3.0
118.03240	100.0
119.06068	2.9
120.04483	1.2
126.05521	12.1
127.03899	9.5
127.04961	3.1
127.08682	69.7
129.01822	4.9
141.06541	2.6
144.06567	2.1
145.04913	2.8
147.02885	1.9
147.05870	10.9
151.05022	6.9
159.02870	2.4
169.06071	1.6
169.09714	10.8
169.13383	1.4
193.09731	16.4
197.17491	1.3
202.94305	1.2
211.10841	2.1
216.11336	4.3
224.04901	6.0
229.08220	1.6
230.06592	2.0
231.05069	3.1
246.12202	2.2
247.13062	1.6
266.09586	64.1
271.12897	11.4
278.08716	2.9
288.17062	2.6
289.13965	10.7
302.10861	1.2
315.11774	5.8
317.06107	4.1
333.12921	75.5
359.17188	2.5
372.43185	1.3
395.11166	5.5
452.16574	17.0
514.14667	6.8
516.56134	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
55.01865	1.5
55.05511	1.0
56.05021	2.5
57.03433	2.7
58.06594	0.7
59.99102	1.6
61.02910	2.3
61.04033	1.3
62.99086	5.2
68.99790	1.5
69.03143	0.6
69.03434	7.0
69.17689	1.2
69.18087	5.4
70.02941	1.2
70.06587	1.5
71.04973	1.0
72.04526	3.5
73.02901	1.3
75.98591	46.6
78.00147	0.6
80.05000	1.9
81.03423	8.6
82.02954	0.7
83.04995	0.6
84.04510	6.7
85.02915	17.8
85.04028	51.3
85.07658	1.5
87.00825	5.5
91.36275	0.6
92.63123	0.6
94.06569	0.8
97.02911	5.9
97.04000	1.9
98.06041	3.6
99.04446	2.7
100.02216	0.7
102.03737	1.1
103.03941	9.7
103.08726	1.9
105.01211	7.6
105.01884	2.2
105.23967	0.6
106.06554	4.5
108.04475	2.9
109.02883	9.6
111.01942	5.0
115.03909	0.7
118.03240	100.0
119.06062	1.7
122.09638	0.8
123.05557	1.2
126.05515	10.2
127.03919	8.0
127.05031	3.2
127.08681	71.4
129.01859	3.0
144.06535	2.5
145.04930	3.1
147.02895	1.7
147.05855	8.0
151.05026	4.4
152.03442	0.9
157.06151	0.6
159.02869	1.4
162.06598	1.0
169.06087	1.5
169.09717	10.4
171.02846	0.6
178.54977	0.8
186.07735	1.5
187.07196	1.7
189.03899	1.0
193.09726	13.9
211.10805	1.5
216.11346	2.4
224.04886	5.8
227.55318	0.7
229.08278	1.0
229.11888	1.7
231.13809	0.8
246.12433	2.0
247.12868	2.3
266.09589	62.3
267.09793	1.0
271.12894	10.6
278.08682	2.2
289.13916	11.2
290.14395	0.8
315.11871	5.0
317.06171	3.0
333.12921	69.5
334.13086	1.0
339.90784	0.7
343.87491	0.6
345.12854	1.8
351.12158	0.8
395.11160	5.0
410.12161	1.0
422.11893	0.7
452.16650	16.4
464.16739	1.9
514.14862	7.5
514.21539	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	11.0
55.01867	21.0
55.05505	21.9
55.57062	8.1
57.03423	13.0
61.02911	21.1
67.05508	78.1
69.03424	19.2
69.07074	23.7
69.62468	52.1
71.04984	8.3
79.05492	69.1
81.03416	52.9
81.07055	68.8
83.05005	11.4
83.08640	22.5
85.02921	25.8
88.41576	7.6
91.03946	12.5
91.05463	72.0
93.07040	70.5
95.04977	27.8
95.08588	47.3
97.02892	18.9
97.06519	16.4
98.78197	8.5
105.07037	74.0
107.04955	14.1
107.08585	42.3
109.06539	9.1
109.10183	26.8
112.30942	8.1
113.00569	7.7
117.07021	34.6
119.08594	62.5
121.10120	44.1
123.08135	9.7
127.03945	11.3
128.06195	8.3
131.08586	53.1
133.06528	8.0
133.10144	44.9
135.08052	9.8
135.11713	34.5
141.07057	13.7
143.08595	33.7
145.10141	45.9
147.08063	12.8
147.11728	34.5
149.13264	10.0
155.08563	16.8
157.06499	8.7
157.10121	27.4
159.08066	13.3
159.11707	20.8
161.13223	19.5
165.09134	11.4
167.08621	10.1
169.10078	12.6
171.11694	20.8
173.13290	24.7
175.11282	10.6
175.14856	11.3
181.10117	10.8
183.11769	14.9
185.09602	9.2
185.13249	14.9
199.11157	9.4
241.19496	29.1
259.20532	59.5
260.57898	9.4
275.20142	11.5
285.34088	8.8
351.25259	100.0
385.24271	10.2
404.41226	10.6
421.26797	18.6
477.27863	9.7
495.35959	10.8
513.32269	54.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07066	7.4
58.06576	2.1
67.05486	4.2
69.07059	1.9
70.06588	8.9
71.08621	5.5
71.10098	2.9
79.05476	4.3
81.03412	2.1
81.07032	5.3
83.08598	1.9
85.10187	2.1
88.07623	8.5
89.06020	2.5
91.05470	3.9
93.07034	2.3
94.17254	1.3
95.08624	3.3
102.09203	7.5
104.60777	1.4
105.07056	2.2
105.49305	1.4
118.85384	1.4
125.91435	1.5
131.08466	1.5
133.08617	2.7
133.10133	1.5
177.06831	2.5
228.23161	1.7
256.26343	20.2
257.26718	6.9
270.53180	1.5
274.27335	2.0
279.13531	1.7
283.26239	18.5
284.26709	10.9
331.21616	1.5
410.12161	1.5
512.50464	18.7
513.33441	100.0
513.50531	38.3
514.34052	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	19.2
55.01870	11.4
55.05509	18.7
57.02768	3.0
57.03025	2.8
57.03433	13.6
57.07068	5.2
60.11227	3.5
61.02929	8.3
67.05506	27.5
68.99779	4.8
69.03435	63.7
69.07073	23.8
69.65675	6.6
69.66099	11.9
71.01347	3.3
71.05002	12.6
73.02924	12.8
73.44702	2.7
79.05488	20.2
81.03419	61.5
81.07062	43.7
83.04996	9.4
83.08630	6.5
85.02910	100.0
85.06552	46.0
87.00834	42.5
87.04478	3.4
91.05466	20.6
93.07047	33.0
95.04973	5.1
95.08620	44.3
97.02901	30.3
97.06545	11.6
97.10189	3.7
98.20836	4.8
99.04465	21.8
99.08097	21.4
105.01871	21.2
105.07043	33.5
107.08603	45.0
109.02882	53.0
109.06516	6.0
109.10165	21.5
111.08092	12.9
113.09650	7.3
115.03936	5.5
117.01881	4.9
117.07043	5.4
119.08567	29.9
121.10136	24.7
123.08111	5.8
123.11724	9.2
125.09654	8.6
127.03927	98.2
127.32016	3.4
129.01898	5.4
131.08540	8.4
133.10130	24.0
135.08055	5.8
135.11737	16.2
137.09615	4.2
139.11122	4.9
142.07729	3.0
145.04948	23.7
145.10121	15.2
147.02985	4.3
147.11629	22.0
149.09618	4.3
149.13266	14.8
151.11246	5.9
153.12791	4.4
159.02898	28.3
159.11740	13.3
161.13283	12.9
163.11168	4.3
165.12756	14.1
169.10013	3.1
171.11624	4.3
173.13205	17.1
175.14894	8.3
177.12772	4.0
179.14267	4.2
187.06009	3.8
187.14856	11.2
189.16371	16.6
191.14345	8.2
201.16331	6.2
202.35181	3.2
203.18021	7.2
205.15898	5.7
207.17465	3.5
213.03777	4.1
217.19531	3.2
229.19530	34.6
231.04990	17.2
235.20621	4.0
247.20596	53.5
263.20120	3.5
265.21649	73.5
351.21442	43.3
357.87943	3.5
458.70706	2.8
495.25458	6.7
513.26953	64.3
521.13025	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	513.27
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.5
54.01698	1.5
55.01876	2.0
55.05515	7.3
57.03438	2.6
57.07066	1.8
61.02912	2.3
63.26202	1.4
67.05510	13.8
69.03429	13.3
69.07070	11.5
69.93842	4.1
69.94260	2.6
71.04993	11.3
73.02933	1.8
74.09994	1.4
79.05493	9.7
81.03426	13.9
81.07056	34.7
83.08612	4.0
83.58957	1.6
85.02903	18.6
85.06547	42.1
87.00834	6.8
91.05493	6.0
91.47372	1.4
93.07047	18.6
95.08611	39.4
97.02894	4.4
97.06528	5.4
97.10187	2.3
99.04471	2.2
99.08096	5.5
105.01845	4.2
105.07046	15.0
107.08592	25.8
109.02882	6.7
109.06487	1.8
109.10167	28.2
111.08096	5.1
113.09649	3.2
117.07100	2.1
119.08588	16.5
121.10135	15.4
123.08044	2.0
123.11711	14.4
125.09635	7.9
127.03935	13.7
127.11187	4.7
131.08585	4.4
133.10135	11.1
135.11682	10.0
137.09615	6.8
137.13237	2.0
139.11191	7.4
143.08623	1.8
145.04947	3.5
145.10115	9.8
147.11691	14.7
149.13284	7.0
151.11205	2.0
159.11694	13.7
161.13260	8.2
163.14825	11.6
165.12744	4.0
173.13275	10.7
175.14719	2.2
187.14847	5.3
189.16382	4.5
201.16356	2.3
203.17946	6.3
205.15884	1.8
217.19444	1.7
221.18947	1.7
223.17052	3.2
229.19562	14.8
231.04977	3.1
247.20558	20.3
265.21640	100.0
283.22766	9.0
355.22406	2.1
388.82254	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.4
53.03954	1.0
54.36089	0.2
55.05499	0.5
57.07085	2.2
63.54011	0.2
67.05509	0.4
69.07063	0.4
69.21392	0.3
69.21793	1.7
70.06599	1.6
71.08637	1.4
77.03934	0.7
79.05497	5.1
80.60426	0.2
81.07048	0.8
83.08647	0.3
83.81337	0.3
85.10182	0.6
87.04492	0.2
88.07626	2.1
89.06036	3.4
91.05458	0.5
93.07044	0.7
95.04988	1.7
95.08650	0.4
102.09183	1.6
103.05469	3.8
105.07034	100.0
106.07378	1.0
117.07093	0.2
121.06506	2.7
131.08591	0.4
133.08614	0.8
147.08017	0.5
165.09106	0.7
183.10172	20.5
191.10683	0.9
209.11514	0.3
209.13290	3.7
223.11267	0.3
228.23297	0.8
248.27634	0.3
251.14288	0.5
256.26346	5.5
283.26306	5.9
285.15015	0.4
287.16458	3.8
301.15765	0.4
311.29529	0.4
327.17169	0.5
327.20459	0.3
340.29407	0.4
389.21179	0.8
464.85184	0.2
506.27194	0.2
512.50409	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	512.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01608	0.2
51.02380	0.4
53.03938	0.9
55.05509	0.3
57.07080	2.4
58.06584	0.2
59.04984	0.2
67.05501	0.7
69.07072	0.8
70.06599	2.0
71.08637	1.9
77.03925	0.6
79.05495	4.3
79.05966	0.3
81.03426	0.3
81.07056	0.7
83.08595	0.2
85.10186	0.5
87.04466	0.4
88.07634	2.5
89.06023	3.2
91.05475	0.8
93.07078	1.0
95.04961	1.7
95.08613	0.6
98.21532	0.5
98.98462	0.3
102.09177	2.0
103.05467	4.0
105.07031	100.0
106.07399	1.1
109.10094	0.2
119.04939	0.3
119.08607	0.4
121.06504	3.4
131.08598	0.5
133.08626	0.5
147.08061	0.7
153.38309	0.2
165.09109	1.0
175.42957	0.2
176.19279	0.2
183.10170	22.7
184.10579	0.3
191.10667	0.5
209.11690	0.3
209.13275	4.2
223.11180	0.6
228.23248	0.8
251.14427	0.3
254.38155	0.3
256.26355	6.4
274.27496	0.7
283.26306	6.8
285.15002	0.2
287.16373	4.3
294.77972	0.2
301.15802	0.3
311.29507	0.6
327.17511	0.7
340.29391	0.7
389.21219	0.9
512.50397	16.3
513.36133	0.3
513.51080	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	9.9
54.24546	4.4
55.01852	10.6
55.05502	11.3
57.03417	9.9
58.98856	4.9
61.02921	6.9
67.05496	17.1
69.03438	42.1
69.07056	21.1
69.67701	30.0
71.04974	18.5
73.02902	13.4
79.05477	14.4
81.03433	25.6
81.07072	32.2
85.02501	5.9
85.02917	60.1
85.06555	63.8
87.00818	19.5
87.04388	6.1
90.94852	5.1
91.05477	16.6
93.07023	25.5
95.08605	31.9
97.02892	17.7
97.06520	20.4
103.03908	5.9
105.01857	11.1
105.07048	42.1
107.04955	6.5
107.08592	29.9
109.02872	28.6
109.10149	14.6
111.01331	5.9
111.08077	11.3
117.07021	12.1
119.08589	42.4
121.10117	22.9
123.11681	6.7
127.03943	36.7
129.01796	5.6
129.06967	7.8
131.08553	25.5
133.10152	38.3
135.11604	12.2
137.05934	7.2
140.71701	5.2
141.06879	6.2
142.07825	6.9
143.08525	26.6
144.09270	6.9
145.04919	15.6
145.10158	32.5
147.11685	20.4
149.09596	8.5
149.13275	11.6
155.08508	6.0
157.10138	20.9
159.02901	14.2
159.11705	43.4
160.90498	5.4
161.09598	8.2
161.13252	17.3
163.11156	17.8
169.10114	7.7
171.11705	20.7
173.13171	27.8
175.11122	6.4
175.14836	8.9
185.13268	23.2
187.14810	15.7
199.14801	9.5
201.16411	19.5
203.14372	10.4
227.17903	41.3
229.19524	23.6
245.19009	100.0
255.17386	7.9
263.20074	96.3
279.47247	6.6
281.06668	12.6
295.80179	5.9
352.37869	6.3
373.45166	6.5
467.22464	19.6
479.25015	7.0
493.24304	10.3
511.12491	9.1
511.21487	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.5
57.07079	30.3
58.06623	0.7
67.05518	1.0
69.07073	4.7
70.73611	0.9
70.73941	1.6
71.08636	27.5
73.06557	5.9
83.08616	3.6
85.10188	20.3
87.04468	3.4
89.06036	100.0
95.08624	1.1
97.10163	5.1
98.21157	0.8
99.11739	3.2
105.07011	0.7
107.07070	2.2
107.08588	0.7
111.11722	2.5
113.13292	1.0
117.09138	2.9
119.08627	0.8
125.13262	1.4
127.14825	1.9
130.08658	2.6
131.07120	0.8
133.08609	44.8
141.16357	0.8
155.17963	0.8
161.09753	0.9
175.58661	0.7
177.11229	17.5
181.19618	0.9
195.12343	2.4
211.24261	1.7
221.13960	1.2
224.74442	0.7
239.14960	3.0
241.56439	0.7
245.57787	0.7
255.26971	1.4
283.17526	14.9
299.29474	5.6
343.32172	1.9
389.33231	0.8
449.38425	1.7
488.44577	0.8
493.41061	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.0
55.05516	6.0
55.51280	2.1
57.03432	8.1
61.02935	10.2
65.03950	2.1
67.05509	10.9
69.03092	1.6
69.03434	7.0
69.07077	15.1
69.18652	17.7
71.04993	1.9
73.02915	3.2
79.05491	8.8
81.03418	8.0
81.07056	24.5
83.08638	3.3
85.02914	14.8
85.06551	19.0
85.42848	1.7
87.00832	3.3
91.03967	11.9
91.05489	10.0
92.54169	1.7
93.07046	14.6
95.04935	2.6
95.08610	20.5
97.02901	8.4
97.06525	3.4
97.10188	2.2
98.20710	3.2
99.04514	1.8
99.08093	23.0
103.30807	1.9
105.07037	12.6
107.04954	2.6
107.08595	14.5
109.02901	4.8
109.06538	3.1
109.10187	10.4
113.09634	6.7
115.07575	7.5
119.08581	12.4
121.06489	8.8
121.10135	11.4
123.08073	4.2
123.11705	4.7
127.03922	6.1
129.06961	1.8
131.08556	13.0
133.10132	10.8
135.08076	5.2
135.11746	7.2
143.08556	5.7
145.04968	2.4
145.10091	13.4
147.11682	9.6
149.09671	8.3
149.13268	3.7
151.11246	4.8
157.10101	6.5
159.11696	33.7
161.09584	2.6
161.13283	5.1
163.11194	4.2
171.11702	5.8
173.13264	23.9
175.11203	5.1
175.14822	2.6
177.12860	3.7
177.48181	1.8
185.13306	9.1
189.12796	4.0
191.14319	4.3
199.14760	2.3
201.16362	10.2
203.14381	2.4
203.17896	1.9
213.05376	1.8
219.17421	3.5
227.17918	12.4
235.20578	2.8
245.19028	79.7
263.20068	100.0
429.76367	3.3
511.30542	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	510.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96666	1.3
55.05501	3.9
56.05038	1.8
57.07077	19.9
58.06593	1.9
60.08162	17.5
60.72698	1.4
67.05493	4.4
69.07061	4.4
70.23139	1.4
71.07369	7.2
71.08634	13.8
73.99506	1.4
75.69874	1.4
75.70322	1.7
81.07060	8.2
83.08604	5.9
85.10170	9.7
86.09707	47.3
95.08603	13.2
97.10180	3.1
98.98473	3.7
104.10742	97.2
109.10152	4.9
123.11698	1.8
125.00003	30.5
131.94342	1.5
170.81816	1.3
182.02202	1.4
184.07341	100.0
189.18481	1.4
239.23627	11.3
258.10968	1.8
313.27383	38.7
327.29053	1.7
331.28397	3.9
413.86871	1.9
429.33643	2.0
492.34491	9.2
510.35471	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.5
55.05510	7.4
57.07059	5.1
59.05008	2.6
67.05495	20.9
69.07077	15.2
71.04977	13.1
79.05489	40.3
81.07059	43.3
85.02888	3.5
91.05487	38.0
93.06486	5.7
93.07046	78.7
95.04970	70.0
95.08611	24.2
97.06532	22.7
103.05482	4.0
105.07036	63.1
105.83277	2.6
107.08592	100.0
107.09318	6.0
109.06549	10.6
109.10175	16.8
114.06831	3.4
117.07035	7.3
119.08590	40.0
121.10153	44.1
123.08080	7.9
123.11736	5.8
125.09633	55.1
131.08574	11.6
133.10129	69.5
135.08067	6.9
135.11694	71.3
135.35301	2.7
139.11198	17.5
143.08559	8.7
144.09351	5.8
145.10143	10.7
147.08081	3.2
147.11684	7.6
149.09641	3.5
149.13266	47.0
151.11244	4.2
157.10078	4.4
159.11687	32.0
161.09586	7.1
161.13220	30.9
163.11258	2.9
173.13272	10.4
175.14851	19.7
177.12718	16.8
178.13448	6.3
179.14320	12.3
185.13280	7.3
191.14343	7.8
195.13831	24.3
199.54825	2.5
203.14334	29.7
207.31937	2.6
219.13866	4.1
221.15373	94.4
222.02773	3.3
475.34454	3.0
510.35928	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	510.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	13.9
56.14996	3.5
56.76138	3.1
57.03431	6.8
57.07082	96.6
67.05515	28.0
69.03441	17.2
69.07074	21.2
69.19959	32.6
71.08640	79.0
79.05466	3.3
81.03405	12.7
81.07057	39.0
83.08627	33.6
85.02915	39.9
85.10195	38.1
86.09728	3.3
89.06026	4.2
93.07047	3.5
95.08070	4.9
95.08627	72.7
95.84791	3.7
97.02898	21.3
97.10177	21.2
99.04475	7.1
105.07021	11.8
108.04490	3.7
109.02890	14.6
109.10168	28.0
111.11662	3.9
123.11688	11.1
125.13280	5.1
127.03936	29.4
137.13219	7.8
145.04959	24.9
151.14891	3.1
170.45470	2.9
184.07375	3.8
221.22746	2.9
239.23721	100.0
257.24728	8.7
269.87000	2.8
313.27420	25.9
325.20547	3.3
329.26996	4.3
331.28516	3.5
341.26852	7.2
380.38116	3.6
383.27972	58.1
401.29031	99.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	0.5
59.04995	0.4
67.05467	0.4
69.07066	0.5
70.36790	0.7
79.05516	0.4
81.07060	1.0
85.02926	0.6
89.06090	0.4
91.05486	0.6
93.07043	0.4
95.08598	0.8
97.06522	0.3
105.07056	0.6
106.08683	0.4
109.10167	0.9
119.08570	0.8
121.10134	0.7
123.11760	0.6
131.08598	0.4
133.10165	1.1
137.05925	0.3
145.10120	0.5
147.11717	0.6
157.10202	0.5
161.09738	0.6
185.04245	0.6
227.05365	0.6
245.06340	0.6
261.18344	8.8
271.04318	0.4
289.05450	0.5
289.17825	1.2
303.19403	1.1
328.59698	0.3
335.75198	0.4
405.22583	1.1
423.23575	15.3
424.23776	0.5
447.23706	1.1
465.24628	23.1
493.61395	0.4
509.23621	100.0
510.24033	2.9
526.29718	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	0.5
59.04995	0.4
67.05467	0.4
69.07066	0.5
70.36790	0.7
79.05516	0.4
81.07060	1.0
85.02926	0.6
89.06090	0.4
91.05486	0.6
93.07043	0.4
95.08598	0.8
97.06522	0.3
105.07056	0.6
106.08683	0.4
109.10167	0.9
119.08570	0.8
121.10134	0.7
123.11760	0.6
131.08598	0.4
133.10165	1.1
137.05925	0.3
145.10120	0.5
147.11717	0.6
157.10202	0.5
161.09738	0.6
185.04245	0.6
227.05365	0.6
245.06340	0.6
261.18344	8.8
271.04318	0.4
289.05450	0.5
289.17825	1.2
303.19403	1.1
328.59698	0.3
335.75198	0.4
405.22583	1.1
423.23575	15.3
424.23776	0.5
447.23706	1.1
465.24628	23.1
493.61395	0.4
509.23621	100.0
510.24033	2.9
526.29718	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2727
Annotation	Asn Thr Phe Lys
Peak:m/z	Relative Intensity
52.03863	0.3
52.74296	0.4
55.05506	0.5
67.05499	0.8
67.95321	0.3
69.07089	0.5
69.93155	1.8
77.91280	0.3
79.05500	0.7
81.07044	1.4
91.05459	0.9
93.07054	0.5
95.08611	0.5
98.21445	0.6
99.56604	0.4
105.07064	0.4
107.04942	0.4
107.08628	0.5
119.08579	0.4
131.08592	0.6
133.10150	0.5
135.08116	0.3
145.10115	0.7
147.04413	0.8
296.35040	0.4
412.56677	0.4
509.27255	100.0
510.27570	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	508.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	3.3
60.18929	0.8
70.06600	1.2
71.48268	1.3
89.03938	1.0
91.05477	1.0
93.07044	1.7
98.97602	0.9
103.05479	6.4
107.04973	2.3
116.98677	0.8
117.03380	1.3
120.08114	100.0
121.08446	1.7
121.70615	0.9
129.72043	0.8
131.04948	1.8
135.04399	2.3
145.02849	1.2
149.06027	2.0
163.03909	6.6
164.04294	0.8
166.08650	48.8
187.02713	0.8
188.79300	0.7
218.99657	1.1
221.03195	1.2
231.01787	2.4
237.00636	1.6
249.02881	1.5
377.32977	0.8
464.18573	1.0
508.18079	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04983	1.0
64.87630	0.4
67.05499	0.8
70.08833	2.0
76.43885	0.5
79.05494	1.3
81.07048	0.9
91.05509	0.8
93.07056	0.6
95.08619	1.1
103.71680	0.5
105.07026	1.1
107.08620	1.0
109.10157	1.4
119.08530	0.5
123.11724	0.7
188.11545	0.5
221.19118	1.0
261.18301	6.4
266.99515	0.6
271.04218	0.5
289.05298	1.1
289.17734	0.8
301.09442	0.5
303.19366	0.7
364.25641	0.6
370.95752	0.6
405.22699	0.7
423.23575	14.5
447.23895	1.0
465.24628	23.2
509.23639	100.0
510.23843	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.6
55.01878	2.2
55.05512	17.4
57.03424	1.8
57.07080	46.6
67.05511	59.3
69.07080	22.9
71.04984	2.8
71.08638	31.5
71.49432	2.0
79.05025	1.9
79.05493	30.3
81.03410	4.2
81.07064	71.6
83.04979	3.6
83.08627	20.0
84.01350	1.5
85.06536	2.6
85.10184	15.6
89.06042	2.9
91.05487	19.5
93.07049	36.6
95.04964	2.6
95.08614	44.2
96.50594	1.6
97.06538	5.4
97.10152	7.9
99.08057	1.7
105.07079	7.4
107.08603	18.0
109.10168	18.5
111.08086	4.6
117.07032	7.5
118.43467	1.6
121.06552	2.1
121.10146	9.6
123.11705	9.5
125.09631	2.0
125.13281	1.7
131.08585	8.1
133.08629	2.6
133.10143	8.1
135.11685	6.5
140.10732	2.0
149.09610	1.9
149.13277	22.8
151.11243	2.5
151.14825	1.8
159.11708	8.9
164.13036	1.4
165.16489	1.7
177.12796	3.3
195.13826	14.5
239.02484	1.9
239.04825	1.6
239.23701	8.1
245.47020	1.7
272.58084	1.4
295.60406	1.8
313.27200	3.0
507.40485	100.0
508.40869	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.1
55.01876	1.7
55.05514	17.6
57.03440	5.0
57.07079	50.9
65.03953	1.8
67.05508	58.8
69.03475	1.7
69.07070	26.1
71.04990	3.3
71.08634	32.7
71.49368	1.7
79.05495	33.1
81.03431	4.5
81.07058	78.8
82.23069	1.2
83.04997	4.5
83.08617	24.6
85.06554	4.2
85.10187	17.2
91.05480	22.2
93.07044	41.6
93.07642	2.0
95.04972	5.1
95.08613	46.8
97.06548	6.7
97.10153	10.4
99.08112	2.5
99.11728	1.5
105.07043	9.4
107.08600	23.0
109.06555	1.4
109.10172	17.8
111.08109	4.9
117.07018	6.3
119.08618	5.8
121.10153	17.1
123.08153	1.9
123.11718	10.1
125.13312	2.4
131.08597	9.4
133.10088	8.9
135.08038	1.9
135.11674	7.6
137.09592	1.5
137.13304	3.9
141.09171	1.5
145.45898	1.2
147.08067	2.7
147.11726	2.2
149.09618	2.7
149.13274	23.3
151.11238	1.5
151.14862	2.0
159.11684	10.6
165.09134	1.8
177.09358	1.3
177.12834	2.6
195.13786	13.2
213.14931	2.4
221.15471	4.8
221.22769	2.0
233.15440	1.7
239.23654	11.4
313.27615	1.5
421.29840	1.7
426.35001	1.9
427.28458	1.9
462.36597	1.7
507.34735	4.7
507.40610	100.0
508.40912	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29624	1.8
52.71559	1.9
53.03932	5.2
55.01884	10.9
55.05511	13.7
57.03437	11.9
57.07076	48.8
65.03943	2.3
67.05141	2.1
67.05505	42.9
69.03432	2.0
69.07067	15.5
69.42268	10.3
69.42671	3.9
71.04993	2.7
71.08630	34.2
73.02921	2.0
78.27425	2.1
79.05503	39.7
79.82828	1.6
81.03414	21.7
81.06593	3.2
81.07053	50.1
83.04959	5.4
83.08174	2.1
83.08624	21.0
85.06506	2.4
85.10184	17.3
89.06031	15.0
91.05483	42.0
93.06485	3.4
93.07042	42.3
95.01320	4.9
95.04966	5.3
95.08609	35.8
96.69450	1.8
97.06530	2.1
97.10185	10.3
99.08078	1.9
100.57190	1.7
103.03894	2.3
103.05475	2.5
105.07028	21.4
107.04942	2.2
107.08593	19.0
108.27139	1.6
109.10153	12.9
111.08083	3.5
115.05482	4.0
116.06243	2.7
117.07018	28.2
119.08558	4.9
121.06518	5.2
121.10171	12.1
123.11671	3.8
129.05495	15.4
129.06972	8.4
131.08565	55.0
133.06499	19.8
133.08611	4.3
133.10136	14.7
135.08047	18.5
135.11642	2.3
137.13228	2.8
142.42485	1.6
147.08003	2.1
149.09624	100.0
149.13248	9.6
159.08041	16.8
159.11671	5.5
177.09114	50.3
177.11383	2.0
177.12743	2.6
189.74583	2.0
195.13815	6.5
221.22583	2.6
233.11745	3.9
239.23676	7.1
251.12788	36.3
313.27368	54.1
329.82013	1.9
341.26801	2.2
367.28497	3.6
386.30066	1.7
489.35565	7.3
507.40536	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	507.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	9.7
54.44884	2.1
55.01871	8.0
55.05513	33.0
57.03435	31.2
57.07061	6.8
57.79517	2.2
59.86004	2.2
61.02930	20.0
65.03944	2.5
67.05502	46.1
69.03427	56.5
69.06733	3.8
69.07066	38.7
70.75417	6.4
71.01349	4.2
71.04979	9.0
73.02918	17.2
79.05488	28.1
81.03420	31.7
81.07059	63.6
83.01367	2.5
83.04989	5.7
83.08617	29.4
85.02908	100.0
85.06507	6.0
85.26057	2.3
87.04459	9.6
91.03947	7.9
91.05476	26.1
93.07040	25.1
94.04155	2.9
95.04975	3.0
95.08604	60.4
97.02890	43.8
97.06541	20.2
97.10170	22.2
99.04452	10.5
99.08109	4.0
101.02358	3.5
103.05472	7.7
105.07034	18.4
106.06527	8.5
107.04959	3.6
107.08595	21.5
109.02876	20.4
109.06493	4.4
109.10168	22.2
111.08050	3.4
111.11726	9.0
117.05513	2.8
119.04953	4.8
119.08577	15.6
121.10152	26.5
123.08086	3.5
123.11737	10.9
125.09608	5.3
125.13254	2.7
127.03912	27.2
129.05489	4.0
131.04884	6.1
131.08525	6.0
133.06500	3.7
133.10185	12.4
135.04411	2.3
135.08012	3.7
135.11710	19.5
137.05992	43.6
137.09610	3.9
137.13261	6.5
139.11159	5.2
143.08565	3.7
143.10632	2.6
145.04967	11.6
145.06387	2.1
145.10080	4.3
147.04434	2.6
147.11656	13.0
149.05984	4.1
149.13280	7.5
151.07527	8.9
151.11127	3.5
151.14862	3.0
153.12753	5.4
157.06569	2.7
157.10135	3.8
161.05980	10.4
161.13261	8.8
163.03856	2.5
163.07535	7.7
163.14836	2.8
164.07086	4.5
165.05499	2.4
165.06956	2.5
165.09113	8.6
165.12761	6.6
175.07559	31.0
175.14893	5.4
176.10704	3.1
179.14326	3.6
187.07553	4.0
191.07047	3.8
199.07555	4.8
201.07535	8.1
201.09225	3.1
209.08168	4.2
217.19504	26.5
235.09665	9.7
235.20509	28.8
236.88652	2.3
239.20134	3.4
253.21664	19.3
259.09726	5.2
259.16959	5.3
265.08496	2.8
270.02985	2.3
285.11169	5.2
291.23242	4.2
305.49240	2.6
309.24307	11.8
311.12851	4.9
315.51648	2.5
327.25311	81.2
345.26334	44.6
353.13217	2.5
355.15347	2.9
401.27945	2.5
416.24506	3.6
417.72318	3.9
425.73386	3.3
426.23712	3.6
471.29538	5.0
507.19934	4.3
507.31564	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	507.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68238	1.8
52.14875	1.9
52.62812	1.8
53.03951	6.5
55.01868	8.4
55.05513	31.5
55.18147	2.2
55.70890	2.4
57.03443	24.8
57.07077	7.3
59.04989	4.0
61.02931	19.6
65.03954	3.5
67.05181	3.9
67.05511	49.8
69.03436	55.7
69.07076	42.8
70.06602	3.9
70.82077	4.7
70.82416	3.7
71.01342	3.6
71.05008	14.4
73.02917	13.4
73.83282	2.3
79.05488	23.1
81.03425	29.7
81.07060	59.1
83.05009	3.9
83.08622	29.4
85.02912	100.0
85.06547	6.6
87.04475	8.8
91.03965	7.3
91.05482	28.0
93.07053	25.7
95.04980	5.4
95.08614	47.1
96.08902	2.0
97.02896	42.5
97.06544	15.4
97.10176	24.5
98.21474	2.2
99.04458	13.7
99.08095	5.1
103.03960	3.3
103.05472	7.1
105.07040	16.1
106.06574	7.2
107.08612	18.7
109.02875	20.0
109.06536	3.0
109.10164	27.5
111.08097	7.5
111.11723	10.8
117.07027	5.8
119.04941	5.3
119.08592	14.7
121.06551	5.3
121.10149	28.1
122.09615	2.3
123.04495	2.8
123.08060	4.0
123.11703	11.5
125.09633	4.5
125.13341	2.8
127.03923	32.3
129.07021	3.3
131.04941	9.0
131.08592	5.6
133.06551	2.8
133.10149	16.7
135.08060	4.6
135.11713	25.0
137.05988	44.0
137.09624	4.2
137.13258	6.9
139.11134	2.9
145.04950	9.1
145.06514	2.2
145.10149	6.5
147.04367	2.8
147.06656	3.0
147.11682	12.9
149.05992	4.8
149.13298	4.8
151.07564	9.5
151.11165	4.6
151.14816	3.7
153.12733	5.1
155.08630	2.2
157.10152	2.9
159.08072	2.9
161.05978	7.8
161.13257	9.9
163.07532	10.9
163.14816	2.9
164.07039	2.2
165.09143	8.7
165.12817	2.3
167.02721	2.6
171.11678	2.4
175.07544	33.0
175.14839	4.2
176.07074	2.1
176.10725	2.7
179.14368	3.1
181.06543	2.3
183.06474	3.9
187.07568	2.8
188.43839	2.4
199.07547	3.7
201.07658	7.1
205.16032	2.6
209.08032	4.7
217.19540	26.2
219.08334	2.5
235.09624	11.7
235.20558	35.7
237.09113	2.3
244.63693	2.4
253.21643	22.2
259.09708	2.6
265.08636	2.9
271.22778	3.3
285.11346	3.7
291.23215	4.3
297.11343	3.4
309.24310	13.8
311.12750	3.9
327.25330	79.0
345.26392	42.3
355.15411	3.5
357.13443	5.8
365.13779	3.8
369.26242	3.9
401.14340	2.5
417.72470	3.2
426.24051	3.8
471.29807	3.9
489.18747	3.5
507.32217	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	506.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.9
55.05505	16.9
57.03426	3.4
57.07073	10.4
59.26099	3.2
65.03894	3.5
67.05508	21.2
69.03444	3.9
69.07074	48.1
71.04985	3.0
71.08617	9.0
71.49534	4.3
75.12934	2.8
79.05490	18.5
81.03402	9.7
81.07061	57.2
82.07430	3.5
83.08625	15.3
85.06522	3.7
91.05470	8.3
92.56390	3.4
93.07063	26.0
95.04967	4.1
95.08608	100.0
97.06538	97.0
97.10168	10.7
105.07053	22.5
107.08605	36.1
109.06507	10.8
109.09482	4.0
109.10168	41.2
111.08102	4.3
111.11714	3.1
117.72448	3.0
119.08594	26.0
121.06517	66.6
121.09338	4.2
121.10146	44.1
122.84615	3.4
123.08083	7.6
123.11716	25.3
125.09649	5.5
131.08580	10.9
133.10143	19.8
135.08052	13.4
135.11700	29.8
137.09644	6.6
137.13271	18.1
139.11200	9.4
141.09001	3.1
145.10129	10.7
147.08025	5.1
147.11693	19.4
149.09642	6.1
149.13266	20.7
151.11137	6.4
151.14854	6.9
159.11708	8.7
161.09663	6.5
161.13228	17.3
163.11125	8.9
163.14853	19.7
165.12708	7.1
167.10722	7.3
171.11746	3.5
173.13248	8.4
175.11156	5.0
175.14833	13.5
177.12695	4.3
177.16383	15.6
181.12227	8.7
185.13194	5.1
187.14787	6.7
189.16333	7.7
191.17946	57.2
193.12234	8.5
193.15915	5.1
195.13829	9.1
199.14946	3.7
201.16408	6.7
203.14415	3.5
205.15894	4.5
205.19516	3.7
207.13837	7.5
207.17464	3.7
215.14359	4.0
215.17960	6.3
217.19489	18.8
221.15366	72.5
233.15468	4.3
233.18991	8.7
235.16945	30.2
239.16420	11.7
241.08252	3.1
241.19551	4.5
243.21207	3.4
259.20602	42.3
261.18591	3.5
269.18933	3.8
275.20123	5.2
277.21655	22.9
286.96497	3.4
287.23721	3.7
303.19464	6.1
321.20584	12.7
339.21622	4.3
397.34616	6.0
425.34235	28.5
429.33698	5.2
435.32550	6.9
443.35294	49.1
453.33643	52.6
471.34744	66.2
489.35791	61.5
491.65341	3.4
494.02438	3.6
506.39063	18.8
507.34598	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12065	0.9
55.01867	1.6
55.05514	7.1
57.03421	1.3
57.07081	5.4
64.13638	0.9
65.01614	1.0
67.05504	13.4
68.05842	1.4
69.03450	2.4
69.07072	17.3
69.21882	10.3
71.04991	1.4
71.08624	3.7
79.05498	7.2
81.03432	5.8
81.07058	21.9
82.07385	1.9
83.04972	1.5
83.08619	8.3
85.10180	1.2
88.02216	2.2
91.05502	6.0
93.07050	15.0
95.04956	3.8
95.08614	35.7
96.08938	1.7
97.06544	6.6
97.10184	4.1
99.08137	0.9
105.07047	8.2
105.29000	0.9
107.08604	17.6
109.06533	13.2
109.10163	21.5
109.40734	1.0
111.08106	2.7
117.07056	2.7
119.08602	9.4
121.06475	2.1
121.10147	21.8
123.08102	5.5
123.11713	8.9
125.09589	1.5
127.07561	1.0
129.07043	1.4
131.08586	4.2
132.08984	1.1
133.06531	1.3
133.10114	8.2
135.08025	5.6
135.11708	22.1
137.09605	3.1
137.13286	8.2
141.09102	5.8
143.08510	1.2
145.10133	5.9
147.08066	1.3
147.11740	6.1
149.05991	1.1
149.09601	3.7
149.13268	11.3
151.11197	2.0
157.10193	4.0
159.08096	1.2
159.11702	4.6
161.13290	4.5
163.11246	1.5
163.14867	5.3
165.12720	1.5
171.11732	2.0
173.09647	1.7
173.13248	6.3
175.11142	2.2
175.14766	2.6
177.05487	2.3
177.09163	1.8
177.12735	3.0
177.16405	2.8
178.05823	1.2
179.14337	4.3
185.13309	2.0
187.14835	4.5
189.12701	1.4
189.16386	2.9
191.14388	6.2
191.17960	100.0
193.12288	2.0
193.15887	2.0
194.12640	2.1
201.16373	2.5
203.18073	2.2
205.12209	1.5
205.15913	1.5
205.19513	2.2
207.13898	1.4
209.15331	3.6
213.16409	2.5
215.14392	2.4
215.17957	3.5
217.15984	1.5
217.19528	3.8
219.13857	3.9
227.17952	3.5
229.19489	5.5
233.15352	5.6
237.14841	1.6
241.19672	1.1
245.19002	6.7
246.58945	1.0
247.13335	2.7
247.20634	1.2
251.16469	1.6
255.21143	6.4
261.14905	5.2
263.16412	2.8
265.14301	1.4
269.22592	2.6
279.15924	13.1
283.24271	2.9
287.23755	4.7
293.73621	1.0
294.10544	1.3
389.31897	1.6
407.33154	2.5
425.34164	11.4
435.32727	7.5
443.35342	8.6
453.33673	67.2
454.33954	2.5
471.34741	38.2
488.34668	1.5
489.35931	6.2
506.38754	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	506.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88742	0.5
50.97972	0.4
52.32331	0.5
55.05502	1.4
57.00198	0.5
59.55196	0.4
61.02942	0.5
61.93650	0.4
67.05504	4.4
69.03423	1.8
69.07072	0.7
69.39983	1.0
69.40388	2.8
70.06602	0.9
71.04977	0.7
73.02904	0.6
79.05481	1.6
81.03405	1.3
81.07049	2.7
83.04987	0.4
83.08611	0.8
85.02937	3.7
87.00811	1.3
91.05486	1.1
93.07028	1.5
95.08612	1.4
97.02869	1.5
97.06570	1.0
99.04488	0.8
105.07065	1.4
107.08606	5.8
109.02864	1.3
111.08086	4.1
113.09682	0.6
114.60206	0.5
119.08561	1.5
121.10133	0.9
122.02057	0.5
125.09634	100.0
126.09930	1.1
127.03933	2.0
133.10118	0.6
137.05968	0.8
139.07515	0.6
141.06578	1.4
145.04933	0.7
145.10178	0.7
147.11723	0.8
159.02930	0.7
161.13332	0.5
163.14847	1.5
165.12772	0.6
187.14864	1.8
205.15874	3.1
223.16937	57.0
224.17232	0.9
259.76578	0.5
344.15427	0.7
462.25012	0.8
506.20221	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91317	4.6
55.05503	16.7
57.03413	5.7
57.07072	13.1
58.09340	4.8
60.04519	17.8
60.08152	9.3
60.33429	5.3
61.02916	10.1
66.80147	5.0
67.05184	6.9
67.05510	79.3
69.07075	24.6
69.38202	42.2
70.02950	6.9
71.08629	8.0
79.05500	38.2
79.24776	4.8
81.03464	5.5
81.07050	100.0
83.08615	20.7
86.09724	26.5
91.05473	38.2
93.07054	35.7
95.08611	90.0
95.70595	5.1
96.17511	5.5
97.02864	8.4
97.06522	20.3
97.10146	9.9
104.10764	43.4
105.07030	26.9
105.91888	5.5
107.08589	17.2
109.10154	31.9
111.08067	6.5
112.47696	5.6
115.41059	5.5
119.08571	20.0
121.10130	21.2
123.11743	9.5
124.99989	18.3
131.08553	5.2
132.15556	4.7
133.10118	26.4
135.11693	23.2
137.13258	23.2
139.11154	6.0
147.11710	15.2
149.13293	7.9
151.14850	15.8
161.13266	12.5
162.67509	5.5
164.38206	5.0
164.79851	4.3
167.35059	5.1
175.14804	8.8
184.07349	46.6
190.88353	6.3
191.14189	5.5
217.19537	64.0
230.23926	5.2
235.20596	80.0
247.17091	5.3
265.25357	8.2
309.24271	38.2
351.22156	5.3
419.08578	6.3
452.30862	10.2
453.29471	12.2
470.31799	6.0
471.30408	5.6
479.72427	6.7
488.33310	6.7
506.32407	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	505.4253
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84574	1.4
53.03937	4.2
54.33004	1.3
55.05273	2.0
55.05517	24.5
57.03429	3.1
57.07082	16.7
65.03935	4.0
67.05508	87.7
69.07068	28.2
69.27221	8.5
69.27628	3.2
71.04993	2.7
71.08643	10.1
75.41216	1.3
77.03922	1.9
79.05497	38.5
81.03422	25.4
81.07063	100.0
83.04960	1.7
83.08156	2.3
83.08621	30.5
85.06557	8.7
85.10183	6.2
89.06061	3.1
90.59031	1.4
91.05482	22.0
93.06495	2.7
93.07049	45.7
93.07629	2.2
95.04964	6.8
95.08611	85.6
97.06544	9.0
97.10179	12.8
98.21548	2.5
99.08080	3.2
105.07033	23.3
107.08607	23.6
109.06519	2.3
109.10165	35.0
111.08081	9.7
111.11711	4.9
111.92784	1.4
113.09629	1.7
117.07011	1.9
119.08582	11.8
121.06525	1.7
121.10154	51.8
123.08101	3.2
123.11727	18.4
125.09618	3.1
125.13287	2.2
131.08572	5.2
133.10172	16.7
134.78146	1.5
135.10716	3.1
135.11703	50.4
137.09610	4.3
137.13245	7.7
138.38025	1.3
139.11205	3.9
145.10129	3.9
147.11705	9.9
149.13254	10.2
151.11234	2.3
151.14801	4.2
153.12749	1.6
157.10146	2.6
159.11679	2.7
161.13243	6.0
163.14725	2.8
165.12805	2.3
173.13202	3.4
175.11171	3.4
175.14885	2.6
187.14809	1.7
193.12271	20.7
215.17900	9.4
217.19582	9.5
219.21164	1.9
233.19064	4.3
235.20563	15.3
239.23575	2.7
249.14912	1.5
251.20093	22.9
253.21565	8.5
269.20908	1.7
469.40445	2.8
487.34232	2.1
487.41342	1.7
505.39001	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	505.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.8
57.07063	0.6
66.79908	0.6
67.05504	3.8
69.03439	0.8
69.07067	1.0
71.80594	0.6
72.26822	0.7
79.05486	1.7
81.07055	5.9
83.04971	1.3
83.08623	1.0
85.02892	0.9
85.06536	0.9
91.05478	2.7
93.07044	2.7
95.04950	0.9
95.08601	4.2
97.06545	0.6
98.20744	1.1
105.07040	1.2
107.08584	2.0
109.06490	1.2
109.10165	6.4
111.08076	0.9
119.08592	4.2
121.06500	1.7
121.10145	1.7
122.07326	1.3
122.09736	0.7
123.08034	0.7
123.11711	2.7
127.03853	0.6
131.08548	1.0
133.10135	1.1
135.11635	1.1
137.05989	1.4
137.09630	10.3
139.07585	0.9
143.37672	0.6
145.10135	0.7
147.11697	0.6
149.05981	0.6
149.09633	1.3
151.07539	0.9
161.13278	1.4
165.09122	100.0
166.09464	1.6
167.07051	0.6
177.09154	0.6
185.08080	2.3
189.09125	2.1
215.10620	0.7
221.15436	1.0
335.22076	0.7
353.23431	0.9
419.25928	0.7
423.28952	1.0
461.27066	1.5
469.29483	0.9
487.30301	2.0
505.30991	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.7
55.01881	2.8
55.03216	1.4
55.05512	22.3
57.03427	3.0
57.07076	48.7
59.05014	2.0
61.97575	1.4
65.03941	3.1
66.28465	1.6
67.05504	55.7
69.03413	1.6
69.07072	23.1
69.24800	8.0
69.25225	6.5
71.04984	4.5
71.08630	41.8
71.31142	1.4
79.05492	47.3
81.03420	29.1
81.07054	56.3
81.07535	3.0
83.04976	18.9
83.08617	23.7
85.06535	3.1
85.10183	18.6
89.03921	3.0
91.04906	3.6
91.05478	63.4
93.07040	31.9
95.04962	14.9
95.08606	51.0
97.06557	6.5
97.10178	11.0
99.08083	3.2
105.04535	1.7
105.07030	36.8
107.02474	1.6
107.04948	11.8
107.08591	6.5
109.02898	1.7
109.06512	4.0
109.10156	16.5
111.08072	5.1
111.11753	1.8
117.03385	8.2
117.07020	3.9
119.08598	20.4
121.06494	3.1
121.10142	11.5
123.08086	2.3
123.11706	8.7
129.06979	9.7
131.08562	13.2
133.06587	2.0
133.10126	33.8
135.11713	5.5
137.13277	2.1
142.07790	2.1
145.02863	23.1
145.10150	5.6
147.08043	2.7
147.11681	14.7
149.05933	4.0
149.09644	3.6
157.10106	14.5
163.11189	3.0
165.09154	1.6
173.77786	1.4
175.11224	11.9
177.05464	35.0
177.06898	2.5
193.12254	29.4
211.13312	3.5
239.23708	11.1
249.14981	2.6
267.16046	2.5
293.10175	18.5
313.27341	6.8
474.56097	1.7
505.38907	100.0
519.53223	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.2
55.01874	0.3
57.50051	0.2
65.32013	0.2
69.03419	0.7
70.93998	0.5
71.34495	0.2
71.35085	0.2
73.02898	0.2
79.05487	0.2
81.03415	0.3
81.07042	0.2
85.02922	0.9
87.00835	0.4
91.05456	0.3
97.02893	0.6
97.06521	0.3
99.04469	0.3
103.05510	0.2
105.01891	0.4
105.07024	0.3
109.02883	0.6
109.10202	0.2
118.06569	0.2
127.03912	0.8
130.06558	0.4
137.05975	0.9
145.04890	0.2
145.07613	1.4
149.06087	0.2
157.06477	0.2
157.07677	0.2
159.02826	0.2
161.06032	0.4
170.07133	1.1
172.08708	13.5
186.10287	0.3
190.09720	0.5
197.08388	0.2
198.06633	7.1
200.08183	3.3
213.11374	0.2
214.09874	0.3
216.07697	15.6
217.08017	0.2
239.09293	5.3
244.07239	0.6
245.68907	0.2
257.10342	100.0
258.10672	1.6
274.98044	0.2
299.11383	0.3
377.63425	0.2
505.18976	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.2
55.01876	0.3
55.05513	2.1
57.03427	1.2
57.07067	0.7
59.04996	0.2
63.02379	0.5
65.03964	0.2
67.05510	1.5
69.07066	1.8
70.08315	0.4
70.08709	0.4
75.05054	0.2
79.05494	1.0
81.07060	2.2
83.08628	1.2
85.06576	0.2
89.03918	4.9
89.04427	0.3
91.05482	0.6
93.07052	1.1
95.08611	1.2
97.06534	0.3
97.10171	0.7
98.20836	0.2
105.07016	0.3
105.70605	0.2
106.04163	0.3
107.08612	0.6
109.10157	0.4
109.36416	0.2
112.53417	0.2
117.03383	15.4
119.04924	0.2
120.14323	0.2
121.06450	0.2
121.10139	0.8
123.11742	0.2
125.09634	0.5
134.03656	0.8
135.04422	0.6
135.11720	0.3
145.02849	40.6
149.05980	4.9
149.07152	0.4
149.13344	0.3
158.06044	0.2
162.03130	0.4
163.03851	1.0
177.05476	100.0
178.05809	0.8
186.05473	0.9
189.11253	0.2
195.06549	1.4
227.12689	0.2
251.09081	0.3
492.59933	0.2
505.31418	3.2
505.38376	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02398	0.2
53.03947	0.3
55.01868	0.3
55.05516	2.7
57.03440	1.1
57.07084	1.2
63.02358	0.4
65.03945	0.3
67.05510	2.9
69.07074	3.0
70.46869	0.3
71.05006	0.2
71.08647	0.3
78.04737	0.3
78.92474	0.2
79.05505	1.7
81.03433	0.4
81.07062	4.3
83.08620	2.1
85.06558	0.2
85.10182	0.2
89.03921	7.0
89.06029	0.2
91.05486	1.3
93.07057	2.1
95.02345	0.2
95.04964	0.4
95.08612	3.1
97.06536	0.7
97.10188	1.0
103.05444	0.4
105.07044	0.5
106.04182	0.5
107.08621	1.3
109.10168	1.3
111.08121	0.3
111.11725	0.3
112.03438	0.2
117.03387	17.8
118.03751	0.3
119.08601	0.4
121.10151	1.8
123.11723	0.5
131.08580	0.5
133.10130	0.7
134.03629	1.1
135.04413	0.9
135.11702	1.6
137.05975	0.3
137.13252	0.3
145.02853	45.2
145.10149	0.2
146.03215	0.4
147.11705	0.4
149.05989	5.5
149.13297	0.4
158.06012	0.3
159.11755	0.2
161.13158	0.2
162.03143	0.4
163.03943	1.0
177.05479	100.0
178.05815	1.0
186.05508	1.2
193.12338	0.3
195.06540	0.9
215.06998	0.4
215.18011	0.2
233.07895	0.3
235.20564	0.3
237.21980	0.3
251.09135	0.4
251.20030	0.6
253.21901	0.2
267.81448	0.2
311.25806	0.3
407.20917	0.2
461.89206	0.2
487.33585	0.2
505.24884	0.3
505.31540	2.7
505.38257	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.4415
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36153	9.0
55.05506	32.8
57.07069	33.0
58.43690	9.2
59.80336	9.6
67.05500	34.7
69.07061	37.4
70.23965	9.9
70.42028	9.3
70.73408	13.4
70.73741	20.6
71.08669	10.0
78.75553	8.7
79.05486	29.7
79.40443	9.4
81.07068	68.1
83.08614	22.0
91.05457	13.9
93.07047	41.9
95.08613	100.0
97.10162	17.2
105.07023	13.6
107.08589	43.1
109.10156	60.0
119.08582	37.7
121.10143	56.4
123.11710	35.0
133.10158	24.6
135.11748	48.6
137.13257	50.2
145.10141	14.3
147.11702	21.7
149.13249	41.6
159.11700	16.3
161.13290	16.7
163.14835	26.1
175.14868	14.0
177.16371	22.9
189.16370	12.2
191.17894	20.1
203.17961	11.1
204.95621	11.1
205.19574	39.2
224.80559	10.8
231.20952	16.9
233.22633	10.1
235.17021	11.5
317.46310	11.0
369.16568	9.5
390.67703	10.5
413.37875	25.1
415.35736	55.6
423.36148	16.1
441.37183	99.8
459.38324	55.4
504.44510	46.0
505.38519	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	504.4412
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.8
55.05513	11.7
57.07072	20.6
67.05507	26.2
69.07059	19.6
70.07115	7.8
71.04984	5.0
71.08628	12.5
72.18674	2.0
73.04757	5.0
78.82308	2.5
79.05502	28.6
80.05822	5.3
81.03407	6.9
81.07055	35.0
82.07399	3.1
83.04967	3.5
83.08631	15.2
83.16991	2.3
85.10181	6.3
91.05441	19.2
92.05823	4.4
93.07037	15.4
95.04957	6.1
95.08611	58.1
95.21786	2.0
96.08925	4.6
97.06506	5.2
97.10175	8.2
99.08080	4.3
105.07048	14.8
107.04951	11.2
107.08585	18.7
109.10155	23.0
117.07006	8.5
118.07381	3.4
119.08546	11.7
121.06545	2.2
121.10121	14.6
123.08072	3.3
123.11703	23.7
127.07516	5.6
127.11205	7.6
129.07024	4.5
131.08565	12.6
132.08972	3.2
133.10124	12.7
135.11641	14.5
137.09622	3.0
137.13239	12.0
143.08643	3.8
145.10133	11.8
146.10463	5.2
147.07983	3.1
147.11668	6.7
149.09651	3.1
149.13268	12.8
153.12764	3.7
155.10732	2.7
159.11717	8.1
161.13203	6.5
163.11209	14.8
163.14796	14.3
164.11557	6.5
167.05627	4.8
171.11679	3.2
173.09616	7.3
173.13264	4.3
174.09952	5.0
175.11127	3.5
175.14746	3.2
177.16423	2.7
187.14789	3.2
189.16408	4.3
191.10692	4.0
191.17960	28.0
192.11040	3.0
195.13821	3.5
203.18236	2.5
203.20667	2.3
205.19511	3.9
209.11717	2.5
217.19589	5.1
249.18562	4.7
263.20050	3.2
299.06317	3.0
300.06479	2.7
309.24313	3.0
313.27448	4.8
314.27679	12.9
317.24780	5.4
331.29828	3.0
335.25836	4.3
423.36145	10.0
438.31039	2.4
441.37265	100.0
442.37524	5.2
459.38336	41.8
460.38950	3.2
504.37061	17.0
504.44101	20.9
505.38315	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	504.4414
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29076	5.4
53.03938	4.6
55.05507	20.0
57.07077	25.4
67.05508	32.7
69.07079	26.6
69.07415	4.5
69.08408	4.3
70.99898	7.4
71.08630	11.6
72.09434	4.4
79.05486	34.4
81.03414	4.7
81.07059	63.0
83.08608	16.3
83.76030	4.7
85.10175	6.1
88.13689	4.9
90.37566	4.9
91.05486	13.1
93.07056	28.7
95.08613	55.3
97.10170	10.5
105.07028	13.3
107.05016	11.5
107.08605	33.4
109.10168	44.1
117.07047	10.7
119.08578	18.8
121.10158	34.1
123.11704	74.4
127.07597	4.2
133.10136	14.7
135.11707	35.1
137.13225	18.9
145.10104	11.1
147.11655	14.7
149.13261	31.1
151.11156	5.3
161.13268	11.8
163.11160	8.9
163.14822	67.3
169.12286	8.8
173.09633	8.8
175.14899	37.2
177.16475	5.9
189.16376	12.7
191.17915	11.6
195.13805	6.6
203.18008	8.8
207.17554	6.5
217.19530	29.8
225.18478	7.4
231.21024	19.0
238.82274	5.4
273.25787	31.3
289.21832	5.6
303.23074	6.4
314.27725	11.1
317.24695	6.4
323.35178	4.8
423.36340	6.3
441.37259	100.0
474.21808	4.8
482.41171	5.1
504.37732	7.5
505.38907	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	504.4413
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73107	3.0
53.03950	5.2
55.01861	7.3
55.05512	9.4
57.03432	8.1
57.07077	32.3
67.05177	3.7
67.05495	18.7
69.07069	26.5
69.36141	6.5
69.36546	21.8
71.04987	10.7
71.08638	16.8
72.73467	3.1
73.83706	3.2
79.05495	60.6
81.03432	20.8
81.07057	24.0
83.04993	9.4
83.08620	12.6
85.10179	12.9
91.05438	6.1
93.07037	9.1
95.04973	32.1
95.08604	22.0
97.06544	34.3
97.10178	6.1
99.04460	4.7
101.05168	3.4
105.07053	7.7
107.04961	19.3
107.08588	10.7
109.10132	18.3
111.08058	4.6
119.08570	10.2
120.42233	3.3
121.10137	9.1
123.08123	3.6
123.11696	9.4
125.05988	29.1
129.07085	3.6
131.08632	5.3
132.72328	2.9
133.10161	6.1
135.11710	6.6
143.07022	12.6
145.10143	6.4
147.11703	4.9
149.13255	4.4
157.08615	9.5
162.36676	3.4
165.09120	3.3
181.92924	3.1
191.17883	24.2
193.15926	5.2
199.09691	13.7
203.17955	7.7
211.16838	16.3
221.15431	6.5
231.12285	12.7
231.17314	3.5
239.23763	3.9
247.20576	7.9
249.18613	5.1
257.24725	3.6
267.19629	5.5
275.43719	3.6
313.27353	100.0
378.24155	3.5
411.31052	23.5
437.32715	16.3
441.37335	79.8
442.37485	4.0
459.38379	27.3
469.35159	16.0
504.25043	4.9
504.36090	23.4
504.44080	99.2
505.38370	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	504.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68426	1.0
55.05517	10.5
57.07079	57.6
59.99105	2.0
67.05512	13.1
67.81030	1.2
69.07073	6.0
69.23580	1.1
69.25394	4.0
69.25813	6.7
71.08636	33.2
79.05487	3.0
81.07063	15.3
83.08627	10.9
85.10186	21.5
86.00288	1.1
92.31598	1.1
93.07037	1.5
95.08611	38.9
97.10159	4.7
99.11742	2.4
105.07041	1.2
106.06556	15.7
107.08595	1.7
109.10160	27.0
114.03739	4.2
114.80962	1.0
123.11720	6.9
125.11280	1.1
132.04799	45.0
133.10222	1.3
134.05841	1.3
135.11624	1.2
163.14758	1.3
165.16434	2.5
181.15776	1.1
183.17462	60.8
208.05388	1.8
242.15729	1.4
255.23215	100.0
280.11218	1.7
314.21555	7.4
347.04593	1.1
399.26877	11.3
430.99844	1.3
504.32358	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	504.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71846	7.0
51.77129	5.5
53.03932	13.0
53.04596	5.9
54.01284	5.6
54.09414	6.3
55.01875	9.6
55.05501	21.9
55.93443	6.8
57.03423	26.8
57.07074	7.1
66.32210	6.7
67.05170	6.6
67.05509	56.2
67.73475	5.8
69.03424	21.0
69.07050	27.6
71.04984	17.8
71.49368	8.3
71.49735	9.0
73.02907	8.5
79.05492	73.3
81.03419	19.2
81.07066	81.0
83.04989	29.5
85.02898	34.6
85.06538	11.3
91.05484	100.0
93.07034	53.5
95.04975	18.6
95.08621	37.6
97.02851	13.3
97.06524	17.8
99.04436	22.8
99.08099	36.3
105.07031	74.1
107.04946	23.4
107.08580	19.6
109.02891	9.2
109.06559	9.2
109.10127	15.2
111.04462	15.9
112.52666	6.6
115.05443	9.2
117.07021	41.2
119.08592	52.9
121.06483	11.5
121.10128	18.1
123.04456	7.2
123.08090	6.3
125.09580	10.0
127.03899	21.0
128.06230	8.1
129.06999	28.5
131.08614	40.7
133.06487	12.0
133.09200	6.6
133.10147	23.6
135.08000	8.9
135.11678	13.2
137.05983	26.0
141.06970	18.5
141.75160	5.9
143.08553	23.6
145.10123	19.0
147.04355	13.2
147.11682	48.3
155.08557	17.2
157.10123	12.2
159.11722	8.9
161.13264	35.5
163.14769	8.5
169.10135	18.1
171.11693	14.0
173.09561	6.3
173.13234	5.8
175.07608	34.5
175.11189	10.6
177.07780	7.5
177.09131	9.5
179.14351	15.9
184.27953	6.9
189.09146	7.1
189.74791	6.6
203.07062	9.7
211.14879	16.2
217.12315	12.6
225.16339	10.6
243.17543	12.6
271.16879	20.7
289.17966	25.1
339.12341	29.7
356.14758	24.9
427.10022	7.0
428.17142	13.6
504.18005	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	504.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	12.2
55.01871	8.7
55.05520	25.2
57.03433	9.0
57.07068	5.4
67.05509	64.5
69.03421	14.8
69.07066	15.0
71.04989	10.5
79.05499	99.4
81.03431	11.7
81.07060	68.6
83.04967	3.9
83.08624	10.0
85.02906	19.9
85.06549	10.4
91.05489	51.0
91.33647	3.5
93.06489	7.7
93.07050	100.0
95.04984	8.5
95.08623	50.6
97.02895	8.4
97.06525	11.6
98.21596	8.9
98.37985	3.4
99.00275	3.5
99.04485	6.1
99.08079	5.9
105.07045	38.1
107.08606	39.0
109.06509	7.3
109.10151	20.3
111.04486	4.7
111.08115	5.9
117.07052	25.2
119.08585	36.6
121.06483	4.4
121.10159	50.6
122.88054	3.5
123.11741	17.6
127.03885	6.5
129.07002	8.7
131.08585	35.2
133.10153	39.8
135.08115	6.2
135.11705	30.9
143.08569	9.3
145.04938	3.7
145.10124	31.1
147.11674	24.4
149.09605	3.7
149.13297	21.6
157.10139	10.6
159.11745	21.1
161.09557	4.6
161.13248	10.3
163.14944	3.7
169.10120	6.9
171.11699	8.3
173.09703	4.2
173.13248	12.9
175.11243	6.5
181.10152	5.5
183.11824	6.1
185.13251	3.8
187.11212	4.8
187.14801	5.2
189.12694	5.6
197.13268	4.7
205.19473	5.7
215.17963	43.0
227.18028	4.8
231.17461	5.6
233.19019	47.6
249.18550	5.5
257.19150	5.7
275.20166	10.2
313.21280	4.0
317.20886	3.8
323.19812	4.6
341.21146	13.9
359.22189	13.3
377.23102	16.3
395.24185	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	504.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97158	7.4
53.03940	14.9
55.05508	27.2
57.03431	24.1
67.05505	61.6
69.03436	19.7
69.07064	47.7
71.05003	20.0
71.24438	7.7
71.48695	12.1
73.02930	12.2
79.05499	72.4
81.03410	23.5
81.07056	88.5
83.04971	27.0
83.08654	12.4
84.01420	7.7
85.02896	34.9
87.04451	10.8
91.05476	100.0
93.07066	47.2
95.04966	17.7
95.08633	50.7
97.02902	12.4
97.06549	43.9
99.04462	17.5
99.08112	43.4
105.07031	81.1
107.04957	22.8
107.08589	32.6
109.02911	12.7
109.06508	15.3
109.10188	18.0
111.04470	13.3
111.08040	10.0
117.07024	58.8
119.04920	22.9
119.08623	62.0
121.06456	11.8
121.10150	18.0
123.04399	12.8
125.09632	14.8
127.03931	24.5
128.06285	12.9
129.05537	11.3
129.07010	23.6
131.08582	50.0
133.06525	13.4
133.10121	34.8
133.11061	9.5
135.04480	9.9
135.08060	16.4
135.11697	23.2
137.05945	44.2
139.03819	9.0
141.06967	17.9
143.08556	28.1
145.06509	12.6
145.10115	23.8
147.04416	18.1
147.08049	15.0
147.11693	58.5
154.07771	10.2
155.08533	27.5
157.10159	17.3
159.08015	17.4
159.11697	15.8
161.06012	24.9
161.13246	46.6
163.03902	11.8
163.07564	13.1
165.09203	9.8
169.10069	18.0
171.11749	16.8
173.09596	9.5
173.13240	9.3
175.07567	49.1
177.05443	9.6
177.09158	9.0
182.70602	7.6
187.07477	11.5
189.09154	17.2
189.12788	8.4
191.07086	9.9
191.10674	9.4
201.09108	9.0
203.07065	17.8
205.08751	8.1
211.14757	9.6
221.15335	26.6
271.16928	14.7
289.17816	25.7
334.76694	8.2
339.12335	51.9
345.08713	8.4
356.14987	36.2
403.40646	8.8
411.14478	16.6
428.17047	24.4
442.18463	9.5
460.19601	15.3
474.47305	9.1
486.17587	13.8
504.18680	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
55.01851	0.8
55.05513	8.0
57.03432	0.9
57.73932	0.6
59.04993	0.8
68.99784	0.7
69.03423	2.6
70.79588	1.4
70.79912	0.7
71.04980	0.7
71.74674	0.6
73.02914	3.5
73.06550	3.8
81.03413	0.8
81.07014	0.7
84.04514	0.7
85.02920	3.2
87.00815	1.4
89.06013	2.0
91.05479	1.2
91.07585	4.5
97.02890	2.3
97.06528	1.8
105.01878	1.1
105.07040	1.3
109.02885	1.5
118.03758	0.6
121.02851	2.9
121.06455	1.1
127.03917	1.6
129.06946	1.3
132.52887	0.7
133.06511	1.6
133.08554	1.5
135.08113	0.7
137.05974	3.6
138.06279	0.6
139.03905	1.2
147.08119	0.7
149.02339	100.0
150.02702	0.7
151.03888	1.9
157.06427	1.1
161.06001	2.6
163.03841	1.3
163.37456	0.7
167.03487	1.5
175.07608	4.1
177.05534	1.9
177.09186	0.9
177.11273	0.6
179.03418	1.3
179.06996	1.4
189.09166	1.0
191.03339	2.2
191.07016	2.1
192.09985	0.7
193.08624	1.0
203.07031	2.6
206.11736	1.2
221.08087	39.1
222.08524	0.7
230.11874	0.8
231.10126	1.9
232.13263	1.0
233.08110	2.4
233.11749	0.8
239.09184	1.9
250.14351	0.9
265.10614	3.2
266.61667	0.6
339.12323	1.5
369.13199	0.7
393.13760	0.9
460.19498	3.2
504.18542	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09374	9.3
53.03939	10.8
55.01865	11.9
55.05513	22.0
55.18796	8.9
57.03444	17.7
57.07066	8.9
67.05499	41.6
69.03433	36.4
69.07069	28.9
69.24151	77.9
69.24567	14.2
71.04996	29.9
71.48445	8.8
79.05486	28.8
81.03418	12.1
81.07069	80.4
83.08622	20.0
85.02893	37.9
85.06561	53.8
91.05491	31.5
93.07038	46.3
95.04962	24.3
95.08617	100.0
96.75689	8.5
97.02892	18.1
97.06532	26.6
97.10170	10.9
98.20766	14.1
104.89252	10.7
105.07045	64.6
107.08585	54.9
109.02892	11.1
109.10171	54.2
117.06989	15.0
119.08582	42.4
121.06535	10.5
121.10172	62.7
123.11700	28.7
125.09701	11.0
127.11208	46.8
131.08588	25.7
133.10144	35.2
135.11719	24.0
137.06044	10.6
137.09589	24.2
143.10629	12.3
145.10107	34.4
147.11685	24.0
149.13222	17.8
157.10143	14.1
159.11710	47.9
161.13254	27.0
163.03886	12.8
163.14798	18.4
165.09242	11.3
167.05580	11.3
173.13261	17.1
175.14879	13.1
185.13246	11.7
189.16422	12.8
201.16386	54.6
202.16678	11.8
219.17487	23.9
220.17776	13.3
237.18631	12.5
269.22577	20.4
287.23795	46.3
299.06158	24.2
305.24707	62.1
323.25870	96.6
441.24960	17.0
485.27982	11.8
503.18460	13.5
528.03412	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	7.5
55.01852	8.2
55.05519	27.3
57.03417	7.0
57.07051	6.6
57.07326	2.1
59.04967	2.2
60.17258	2.0
61.14087	2.1
65.03938	3.3
67.05508	100.0
69.03410	4.9
69.07072	28.9
71.04964	5.9
71.08569	3.1
78.45871	1.8
79.05499	87.7
81.03436	13.9
81.07061	86.3
83.04979	12.1
83.08633	14.1
85.06551	10.0
89.06021	3.2
91.04922	3.1
91.05480	68.1
93.07050	82.6
95.04973	11.2
95.08083	2.4
95.08622	33.4
97.06507	7.7
97.10130	4.3
98.98447	2.6
99.04419	4.2
99.08065	5.7
105.07035	66.8
107.04936	4.0
107.07892	3.0
107.08596	58.6
109.06474	9.5
109.10160	88.8
111.08044	3.0
113.05963	3.0
115.05397	2.6
117.07027	12.7
119.08572	21.1
121.06500	3.5
121.10151	37.2
123.08015	5.2
123.11716	17.3
125.09538	3.6
127.07520	6.6
131.08559	18.4
133.10141	91.1
135.11676	24.6
137.09534	3.3
143.08589	2.6
145.10152	11.5
147.07957	2.7
147.11703	10.5
149.09560	2.4
149.13225	7.5
151.11188	47.7
157.10120	3.7
159.03139	2.2
159.11691	13.3
161.09624	3.8
161.13263	3.2
163.11238	2.5
169.12260	12.5
171.11623	5.3
173.13217	7.6
179.10582	3.0
179.14125	2.7
187.14713	3.7
193.12247	4.2
205.19489	3.7
215.12727	7.4
215.17984	18.7
233.19048	22.4
253.14346	77.3
271.15292	9.1
289.21393	6.1
299.06174	3.0
411.28732	6.9
429.29810	5.7
485.32352	17.2
503.33484	72.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.8
55.01873	4.2
55.05507	30.0
57.03440	3.3
57.07082	3.8
67.05500	14.2
69.03424	12.1
69.07063	10.5
70.74133	3.8
70.74483	6.2
71.04991	17.8
74.21034	2.6
79.05501	11.3
81.03416	9.4
81.07059	24.4
83.04986	44.0
83.08606	3.5
85.02908	20.3
86.09722	3.1
87.00828	7.6
89.05992	3.6
91.05454	16.1
93.07053	29.2
95.04986	16.1
95.08633	19.1
96.56378	3.0
97.02901	9.7
97.06535	17.9
97.10177	2.8
99.04459	4.1
99.08110	7.5
99.82153	2.4
100.11272	2.6
105.01855	6.0
105.07031	40.4
107.08595	28.4
109.02888	7.4
109.06531	4.0
109.10162	28.8
111.08057	7.6
117.07046	6.1
119.05013	3.0
119.08572	22.9
121.10155	55.3
121.10959	2.2
122.07503	2.7
123.08125	5.7
123.11677	14.2
125.09650	13.9
127.03909	11.4
127.11206	18.9
129.06976	4.8
131.08577	10.9
133.10144	59.8
135.08076	6.0
135.11688	7.7
137.05971	9.2
137.09636	5.8
137.13205	2.9
139.11197	7.9
143.10672	9.0
145.02840	4.5
145.10114	19.2
147.11699	15.1
149.09680	6.5
149.13286	14.8
151.11201	28.2
159.11717	20.3
161.13225	5.2
163.11172	5.0
163.14786	3.0
167.05554	2.9
173.13232	7.0
175.07576	4.2
175.14870	4.1
177.05444	6.5
177.07857	5.1
177.12807	4.8
189.96645	2.7
191.17976	6.1
201.16400	18.6
203.06989	5.5
207.17532	5.5
219.17426	52.8
237.18498	100.0
255.19522	9.7
261.11343	2.5
291.78665	2.7
299.05969	3.3
315.08801	2.6
339.12341	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.249
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66379	2.0
51.76699	2.0
53.03933	2.6
55.01865	5.0
55.05515	34.6
57.03433	3.7
61.02929	3.1
62.41927	2.0
67.05502	6.1
69.03420	10.6
69.07075	6.5
71.05000	11.3
71.48939	3.9
72.70773	2.0
73.02914	5.8
79.05506	8.8
81.03416	8.5
81.07051	13.5
83.04993	68.1
83.08639	2.2
85.02912	17.5
85.06544	2.4
87.00824	6.7
89.06034	8.2
91.05479	8.0
93.07060	19.5
95.04993	5.5
95.08589	11.1
97.02892	6.2
97.06542	11.3
99.04444	4.7
99.08110	2.7
103.05516	3.2
104.41281	2.6
105.01864	4.8
105.07035	14.4
107.08614	15.1
109.02893	6.2
109.06533	5.4
109.10165	19.7
109.10863	2.8
111.08084	5.6
115.05431	2.9
117.07046	3.6
119.05072	2.0
119.08592	11.5
120.66964	1.9
121.06557	2.9
121.10156	65.2
123.04435	2.9
123.08081	3.3
123.11708	3.6
125.09647	2.6
127.03918	12.4
127.11229	5.1
131.08603	3.6
133.08611	3.7
133.10129	11.7
135.08047	7.1
135.11696	8.2
137.05971	14.8
137.13237	2.0
139.11179	8.0
145.06500	3.3
145.10185	11.8
147.11690	7.6
149.13260	12.7
151.03940	2.4
151.11183	15.6
158.03644	3.2
159.02905	3.8
159.11708	14.5
161.05908	3.6
161.13228	5.1
163.11253	4.3
165.12807	3.4
167.14389	2.3
173.05975	6.7
173.13216	4.5
177.07802	3.5
177.12776	9.4
177.16508	2.8
181.08698	2.4
186.03146	9.1
189.05435	4.2
201.05490	58.0
201.16414	15.4
216.17331	2.0
219.17439	37.9
237.14790	6.2
237.18513	100.0
238.18890	3.6
255.19507	2.4
299.06094	2.8
321.44830	2.5
331.09149	2.5
339.17285	4.2
359.12064	2.4
459.18356	3.6
503.17047	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.1
69.03424	2.1
69.83757	1.0
69.84176	2.2
75.43245	0.7
79.05486	2.2
81.07064	0.7
85.02905	5.0
86.09661	0.7
86.73026	0.7
91.05488	4.8
92.49096	0.6
94.04182	2.6
97.02899	1.2
98.20808	0.6
103.05483	2.0
105.07037	5.7
107.04946	1.0
109.06532	1.6
115.03953	0.6
115.05482	3.1
116.06272	0.7
117.07028	1.4
118.04211	0.8
119.04945	1.3
119.08588	1.5
121.06496	0.7
122.03642	7.6
127.03893	1.3
128.06227	2.1
129.06995	1.6
131.04907	1.2
132.05719	2.4
133.06491	4.3
137.05980	100.0
138.06328	0.9
143.04915	1.5
146.03685	0.9
147.04443	1.0
147.08054	2.8
149.05989	2.3
151.07518	0.8
155.04910	1.2
156.05701	1.0
159.08083	2.1
160.05231	2.1
161.05978	13.7
163.07471	0.7
165.07007	0.8
167.07051	0.6
172.05205	1.3
175.07559	29.0
179.07095	0.9
184.05251	0.9
187.07553	9.5
189.06972	0.8
189.09058	0.9
190.07739	3.3
191.08517	6.7
199.07552	7.7
202.07813	2.6
203.08542	4.5
205.06599	1.0
205.08565	0.9
208.08855	1.1
218.07295	1.8
219.08044	9.8
220.08813	3.1
230.06995	0.7
231.08041	5.8
232.08882	1.8
235.07603	1.3
236.08392	2.0
237.08989	0.8
247.07538	5.8
248.08287	3.5
251.10670	12.3
259.07635	3.9
260.08279	1.5
261.09006	0.8
263.10736	2.8
264.07828	0.8
265.08798	0.9
276.07831	2.3
277.08627	2.1
279.10175	9.4
280.10864	1.2
291.10178	9.5
292.11017	2.2
293.08078	0.8
295.09705	0.9
295.13025	1.3
296.10379	0.9
308.10596	1.1
311.12775	21.9
323.12772	13.4
329.12097	0.8
341.14008	0.7
408.66623	0.7
503.20135	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
55.01846	1.5
57.03431	1.9
61.02922	1.3
69.03423	4.4
71.04992	1.4
71.49189	2.2
72.08180	1.4
79.05501	2.1
81.03422	1.9
81.07043	2.1
85.02906	12.2
86.09679	2.3
87.04436	1.7
88.21873	1.3
91.05472	4.3
94.04174	3.5
95.04974	2.0
96.59309	1.3
97.02905	3.4
103.05463	1.3
105.07016	2.8
107.05045	1.1
109.02857	1.5
109.06449	1.7
115.05473	2.1
117.07031	1.2
121.31476	1.0
122.02880	1.1
122.03657	6.7
127.03923	2.0
128.06207	2.7
129.07022	8.3
131.04906	3.5
131.08569	1.5
133.06514	2.4
137.05980	100.0
138.06297	1.5
141.06975	1.2
143.08502	1.1
144.05734	2.2
145.06467	1.8
146.07286	1.3
147.04427	1.9
147.07954	1.1
149.06000	1.6
151.03874	1.8
151.07518	3.2
157.06517	5.0
158.07285	2.4
159.04460	1.4
159.08026	1.7
160.05188	2.6
161.05981	4.8
161.09509	2.1
163.07541	1.7
165.05470	2.2
171.08153	1.5
172.05138	4.0
174.06799	19.1
175.07542	12.3
177.05463	1.8
179.07063	2.0
184.05246	1.2
187.07545	49.5
188.08261	1.7
189.09099	18.9
190.07756	2.4
191.08540	3.4
199.07562	9.0
202.07774	3.3
203.08568	8.1
205.06531	1.4
208.08951	1.5
211.07516	2.9
217.08594	32.3
219.08006	11.3
220.08783	4.1
231.08087	10.7
232.08760	3.1
233.05978	1.7
233.09605	2.9
235.07587	1.3
236.08321	3.2
237.09042	1.8
239.06833	2.0
240.07889	1.7
247.07596	9.5
248.08327	10.8
249.08971	2.2
251.10664	10.1
253.08569	2.5
259.07550	4.2
260.08344	2.5
261.09058	3.5
263.07513	2.1
263.10699	12.9
264.07837	4.5
265.08624	5.2
271.09662	8.9
276.07813	5.9
277.08511	4.8
279.10168	16.5
281.08081	3.3
283.09567	3.1
291.07275	1.0
291.10150	28.3
292.10840	2.8
293.08133	8.0
293.11200	1.7
296.10471	8.6
305.11990	1.6
308.10379	4.5
311.12796	32.7
323.08929	2.3
323.12787	48.3
341.13776	26.3
459.18021	2.5
486.06708	1.4
503.19174	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	503.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.8
59.91906	0.8
69.03429	2.7
71.04996	1.0
71.48895	1.0
73.02913	1.0
76.28936	0.8
79.05491	1.6
81.03421	1.2
81.07049	1.3
85.02912	6.5
86.09695	1.0
87.04459	3.0
89.06033	37.0
91.05475	3.3
94.04182	3.1
95.05002	0.9
97.02885	1.6
103.05469	1.7
105.07027	6.3
107.04938	1.0
109.06509	1.9
114.33274	0.9
115.05441	4.1
117.07025	1.9
119.08575	1.5
122.03651	6.9
127.03962	1.0
128.06212	2.0
129.07010	2.0
131.04959	1.5
131.07025	1.7
132.05699	2.8
133.06526	3.9
133.08607	18.8
137.05984	100.0
144.05728	1.5
145.06439	1.2
146.03601	1.2
147.04366	1.2
147.08070	3.1
149.05956	1.0
150.23097	0.9
159.08066	2.9
160.05211	1.1
161.06000	13.8
169.06508	1.0
171.08081	1.0
175.07559	29.0
177.11214	3.6
179.07077	1.8
184.05258	0.8
187.07536	8.1
189.06944	1.4
189.23337	0.9
190.07831	2.7
191.08585	6.1
199.07541	8.8
202.07794	3.3
203.08597	6.1
205.06476	1.2
217.08530	1.3
218.07314	1.3
219.08080	10.6
219.13881	0.9
220.08791	1.8
231.08051	5.2
232.08762	1.5
233.09622	1.1
235.11101	1.0
236.08377	1.9
247.07523	4.4
248.08253	3.8
251.10698	12.5
259.07516	4.2
260.08301	1.5
263.10690	2.9
265.08478	1.1
276.07895	1.8
277.08655	1.6
279.10156	11.1
281.08017	0.9
291.10175	10.4
292.10962	3.8
295.13339	1.1
296.10352	1.1
308.10391	1.3
311.12778	27.0
323.12796	16.6
436.62411	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.4258
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85023	1.0
55.05497	2.4
57.07058	2.8
67.05485	4.4
69.07050	3.5
69.53217	5.9
70.54279	1.0
71.08639	1.1
72.40656	1.0
74.21822	0.8
79.05479	3.1
81.06675	1.0
81.07061	11.8
83.08602	2.3
91.05454	2.9
93.07032	6.0
94.12715	1.1
95.08607	19.8
105.07010	3.1
107.08595	7.7
109.10165	9.5
117.07004	1.4
119.02043	1.0
119.08569	4.5
121.10169	5.3
123.11716	5.2
131.08543	1.8
133.10101	2.7
135.11684	3.6
137.13246	7.1
140.59186	1.1
143.08586	1.4
145.10089	2.3
147.11668	3.2
149.13243	4.1
157.10100	1.1
159.11728	2.1
161.13258	1.6
163.11156	2.0
163.14798	2.8
167.10722	1.0
173.13254	1.5
175.14857	1.0
177.12666	1.2
177.16400	1.1
187.14795	1.3
189.16318	2.1
191.14337	6.0
191.17889	2.2
199.14877	1.1
201.16388	1.1
215.17938	1.8
217.15881	1.0
221.93452	0.9
229.15897	1.1
253.39217	1.0
271.24142	1.3
345.67569	1.2
369.66464	1.0
395.33041	6.0
399.60947	0.9
411.36084	1.3
421.34180	1.5
439.35825	12.8
457.36780	100.0
458.36911	2.6
502.42804	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.4256
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77523	2.7
51.39718	2.8
53.03955	4.1
53.45856	2.6
55.05507	10.5
57.03426	6.8
57.07069	18.8
67.05505	22.2
69.07064	17.5
69.07384	2.7
69.57510	9.4
69.57932	9.1
71.08624	12.1
73.74854	2.7
79.05492	18.5
81.03423	6.6
81.07048	29.8
83.08611	8.6
85.06553	4.2
85.10159	5.9
89.06045	4.4
91.05472	14.7
93.07043	21.0
95.04948	4.3
95.08603	32.5
96.08971	3.0
97.06540	8.9
97.10197	6.2
105.07011	10.1
107.08594	19.8
109.06493	3.3
109.10172	23.0
113.05977	3.4
117.06989	3.5
119.08584	8.3
121.10147	16.3
123.11713	15.0
129.06993	2.4
131.08603	4.3
133.10130	8.2
135.11632	13.3
137.05983	13.2
137.13286	6.1
145.10100	5.9
147.11688	4.2
149.09583	2.8
149.13272	6.8
150.13498	3.3
151.11198	5.3
153.56073	3.3
155.07066	3.7
161.13245	3.9
172.03519	3.2
175.14780	4.8
191.10675	2.6
191.17949	100.0
193.19595	3.2
205.15891	13.2
217.19553	15.5
223.16924	43.5
235.20522	3.3
279.55795	3.4
313.27368	53.5
317.54224	2.8
413.34155	18.6
439.35907	7.1
502.35971	14.5
502.42502	46.9
503.37335	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	503.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.9
60.79073	0.8
61.69740	0.9
64.12809	1.0
69.03419	3.2
69.20914	9.3
79.05478	3.0
81.07050	1.3
85.02909	5.3
86.09706	1.3
91.05485	4.2
94.04191	2.3
97.02856	1.2
97.06551	1.0
103.05444	2.1
105.07047	6.2
107.04921	1.2
109.06502	2.0
115.05432	4.7
116.06193	1.0
117.07038	1.7
119.08553	2.4
122.03675	6.9
127.03931	1.7
128.06264	2.3
129.06999	2.3
131.04929	2.1
131.08583	1.0
132.05684	1.9
133.06480	4.4
137.05984	100.0
138.15569	1.2
143.04926	1.2
146.03644	1.1
147.04422	2.1
147.08044	1.3
149.06027	2.3
159.08032	2.9
161.06017	14.2
172.05286	1.2
175.07559	28.0
179.06946	1.9
187.07524	8.5
189.09273	1.5
190.07764	3.0
191.08592	7.9
199.07571	8.7
202.07748	3.9
203.08565	5.5
218.07274	1.9
219.08020	10.0
220.08760	2.5
231.08122	5.3
232.08757	2.0
235.07552	2.0
236.08313	1.9
247.07516	5.1
248.08360	4.3
249.09215	1.3
251.10695	14.5
259.07550	4.2
260.08295	1.5
261.09256	1.1
263.10657	4.0
264.07910	1.4
276.07785	2.4
277.08780	1.8
279.10150	9.5
280.10822	1.5
284.86230	1.2
291.10178	10.4
292.10809	3.4
295.13113	1.6
296.10495	1.3
311.12793	23.2
323.09314	1.6
323.12796	15.3
351.24127	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.4256
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58299	3.8
55.05506	10.1
57.03399	4.1
57.07063	18.6
67.05510	23.4
69.07056	22.7
69.59180	9.6
69.59598	17.9
71.05010	5.8
71.08614	12.5
79.05504	23.5
81.03423	6.0
81.07058	60.9
83.04988	6.1
83.08601	19.1
85.10201	4.8
91.05467	14.5
92.66657	3.8
93.07044	27.6
95.04951	8.3
95.08611	79.5
97.10154	11.6
99.08049	4.9
105.07031	20.4
105.07622	4.0
107.04951	11.5
107.08594	44.8
109.10162	52.5
111.08057	4.3
117.06981	7.2
119.08615	21.7
121.06497	5.3
121.10120	32.3
121.73401	4.6
123.08106	5.5
123.11704	47.6
125.05960	5.8
125.09655	6.4
127.07574	7.2
131.08566	9.8
133.10109	20.3
135.11670	26.9
137.13257	39.3
139.07541	10.4
143.08578	6.4
145.10112	18.3
147.11710	15.4
147.35742	4.6
149.13232	19.9
153.09093	8.0
153.12596	4.6
157.10159	4.9
159.11687	13.3
161.09689	4.8
161.13255	12.7
163.11165	8.3
163.14835	28.0
165.16499	8.6
166.92030	5.1
171.11630	7.8
173.09756	4.3
173.13251	5.2
175.14891	6.1
177.12717	4.8
177.16397	11.2
179.10684	3.9
179.14247	5.7
187.14886	10.3
189.12779	7.5
191.10638	6.7
191.17937	76.4
199.14896	5.3
201.16356	7.2
201.87520	4.3
207.13820	18.5
215.17805	5.0
217.19470	8.6
233.15347	5.5
247.16985	12.7
249.18553	5.8
251.16499	12.0
257.22571	8.4
285.22385	7.2
299.06116	5.1
303.23230	32.6
307.61847	4.0
313.27353	14.1
335.25778	5.5
393.35159	12.8
395.32962	5.7
421.34601	32.1
423.36151	9.5
439.29935	7.6
439.35693	100.0
441.37354	96.1
457.36682	52.4
459.38098	27.1
467.37494	6.8
502.43082	23.1
503.37271	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	502.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02069	0.5
55.01849	0.5
55.05495	1.3
57.03435	5.4
57.07085	7.6
58.06605	35.8
59.04989	0.6
59.07383	10.3
60.08167	11.4
64.07952	0.5
67.05505	3.5
68.05779	0.6
69.07056	2.5
70.56988	1.6
71.08633	5.1
73.02879	0.7
75.04480	3.0
79.05457	1.9
81.03374	0.7
81.07053	4.4
83.08584	1.0
84.08156	0.8
85.02869	1.6
85.06535	0.6
85.10155	1.9
87.04475	4.7
91.05458	1.1
93.07046	1.2
94.07365	0.7
95.08619	4.5
97.06519	0.9
99.69827	0.6
103.03908	0.6
105.07036	0.8
107.08569	1.2
109.10136	2.0
111.11722	0.6
113.05994	1.0
119.08556	0.6
121.06503	0.5
121.10116	1.4
131.07057	1.2
131.08484	0.6
133.10062	0.7
144.10197	8.2
145.10092	0.6
159.11717	0.7
162.11214	1.9
200.12869	1.0
218.13948	0.8
236.14941	93.8
309.14389	0.5
325.64697	0.5
341.30573	1.0
371.26205	0.6
399.25308	1.4
410.31766	0.5
440.41541	1.1
457.33527	1.2
484.40042	24.0
485.32761	0.8
490.74765	0.5
502.41138	100.0
503.41415	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.3
55.05519	7.3
57.07080	26.4
67.05511	16.3
67.79135	2.2
69.07079	9.5
71.08639	48.8
71.49159	2.9
73.02908	2.0
79.05511	15.6
80.05807	3.1
81.03439	3.0
81.07068	15.7
82.07372	2.9
83.08640	5.5
85.10189	24.8
87.04476	6.4
89.06038	100.0
91.05486	21.0
93.07052	29.0
93.71449	2.3
94.07375	3.6
95.04942	4.1
95.08635	8.7
97.10202	3.9
103.05463	2.5
105.04552	2.4
105.07034	10.7
107.04969	8.4
107.08606	8.5
108.08998	2.4
109.10151	2.6
117.07014	2.9
119.04961	4.1
119.08607	7.6
121.06515	61.2
121.10120	10.7
131.08643	3.5
133.08620	65.3
133.09737	3.1
133.10104	4.1
135.08063	8.2
135.11740	2.8
143.08537	2.4
145.10136	5.2
147.08080	13.3
149.09647	5.5
157.70740	2.3
159.11699	2.6
160.91005	2.2
163.11211	4.9
165.09122	33.8
167.10732	2.5
177.11230	23.8
191.10706	3.1
194.50891	2.6
195.13643	2.7
209.11757	16.7
236.14996	4.0
237.15291	5.5
238.15550	3.3
247.20534	15.4
250.49995	2.5
253.14236	3.7
271.15399	5.9
273.21994	3.3
291.23181	29.1
292.63367	2.7
301.00870	2.4
315.18057	3.4
359.20627	55.5
410.31540	2.7
485.34857	18.1
502.36182	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	502.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54663	2.7
55.01883	3.9
55.05508	7.7
57.03449	4.4
63.46611	3.1
67.05490	11.2
69.03423	5.5
69.07088	17.2
70.99020	2.9
71.04985	11.7
79.05489	8.0
81.03424	5.3
81.07058	16.1
83.08617	5.1
85.02908	13.6
85.06549	100.0
91.05494	5.0
93.07033	14.9
95.04893	2.8
95.08607	20.5
96.47250	2.9
97.02892	7.1
97.06564	22.3
99.08073	4.1
100.58817	2.6
103.07599	3.3
105.07031	18.3
107.08606	19.8
109.02897	4.0
109.10170	26.3
110.76219	2.9
111.08085	5.1
119.08582	28.0
121.10143	27.3
123.11680	9.6
125.09634	4.8
131.08588	10.8
133.10117	24.7
135.11697	8.1
137.06000	7.2
143.08525	3.3
145.10129	17.6
147.06847	3.9
147.11699	17.7
148.07677	3.1
149.13193	5.1
156.36604	3.0
157.10175	5.5
159.11719	23.5
161.13278	34.2
163.03909	3.6
163.14810	3.2
171.11652	4.6
173.13242	18.9
175.14796	13.0
176.07068	10.5
176.10703	6.2
177.16486	3.1
179.14240	3.7
187.14888	13.8
191.14273	5.0
193.15903	3.1
199.14760	3.0
201.16409	10.9
203.17957	5.8
205.10985	10.0
213.16396	7.9
215.17915	6.8
217.15866	4.1
217.19601	3.9
219.17421	15.8
227.17862	3.0
229.19511	27.1
235.20447	3.0
247.20581	16.5
269.22647	27.4
273.13715	3.3
287.23709	61.8
302.09943	3.3
305.24747	46.2
323.25815	76.4
440.24207	21.0
484.26730	10.3
496.97180	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	6.8
63.50356	5.2
67.05520	8.7
69.03411	6.6
69.07063	10.1
71.49966	7.6
79.05479	10.6
81.03414	8.5
81.07059	13.0
82.30347	4.4
83.08629	7.7
85.02902	6.5
85.06547	100.0
86.31379	4.0
89.06039	4.5
90.96146	5.3
91.05484	10.6
93.07042	16.1
95.04984	7.9
95.08597	17.1
97.02890	10.4
97.06538	11.4
105.07028	14.3
107.08569	9.9
107.85555	5.2
113.47179	4.6
117.07037	4.8
119.08573	20.2
121.10135	10.1
127.03964	7.6
131.08540	6.3
133.10143	18.5
145.10129	16.3
147.11760	10.6
148.07532	7.6
149.13272	5.4
159.11734	33.2
161.13283	29.9
173.13264	7.5
175.14821	10.7
176.07089	27.2
176.10750	14.7
177.12772	5.6
179.78101	5.2
193.15912	13.6
201.16348	43.5
204.10207	10.0
205.11002	25.0
219.17465	49.3
237.18582	16.4
241.73540	5.3
260.09915	5.3
273.13547	7.3
305.24948	6.7
313.15698	4.7
323.25806	16.5
440.24246	40.2
484.26648	26.7
502.18549	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	502.2931
Annotation	LysoPE(20:4(8Z,11Z,14Z,17Z)/0:0)
Peak:m/z	Relative Intensity
52.30733	1.5
53.03951	3.1
55.01854	5.2
55.05517	7.7
57.03426	5.6
57.07061	4.1
62.06090	60.8
65.03943	2.7
67.05181	2.6
67.05507	36.3
69.07063	12.3
69.35641	5.4
69.36062	8.5
79.05493	33.4
81.07060	24.3
83.04983	2.0
83.08619	2.3
85.06566	2.4
85.10151	2.2
91.04911	2.8
91.05480	42.3
93.07055	23.7
95.04975	4.2
95.08605	19.5
97.06540	6.7
98.06047	3.9
98.98473	16.1
105.07031	23.4
107.08615	11.7
109.10117	4.1
113.49004	1.7
115.05470	1.7
117.07002	11.2
119.08584	24.0
121.10140	9.5
123.08039	2.5
123.11688	2.6
124.01639	3.8
129.05495	10.6
129.06998	4.7
131.08585	11.5
133.10143	13.8
135.08034	2.3
135.11739	4.6
137.13277	1.8
141.09134	1.5
142.02725	1.8
143.08580	3.6
144.24538	1.6
145.10130	8.6
147.11688	5.8
149.09615	1.8
155.01042	3.3
157.10129	5.2
159.11742	2.1
161.13260	2.5
171.11696	5.4
173.02084	3.3
173.13217	3.0
175.11142	2.0
175.14787	3.2
177.16408	2.2
185.13271	3.8
189.16394	4.1
191.17838	2.0
198.05243	5.8
199.14792	3.5
201.16324	2.3
203.17937	13.9
213.16310	2.2
216.06317	5.8
269.22598	9.9
287.23639	12.9
330.27933	21.3
361.27380	100.0
484.28195	4.7
502.29404	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	502.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05000	7.3
69.07059	13.2
71.04957	7.9
79.05466	7.2
80.53400	4.9
81.07055	15.9
83.08616	9.4
85.02904	15.5
85.06549	84.1
93.07047	22.2
95.08595	18.1
97.02888	6.5
97.06535	6.5
97.91241	4.6
103.07585	5.9
105.07057	25.0
107.08585	26.1
109.10153	17.9
114.94838	5.0
119.08595	23.2
121.10178	37.9
122.18613	5.0
123.11660	9.7
125.09669	7.5
127.03920	5.3
131.08543	5.3
133.10158	23.6
135.11749	12.8
145.10107	16.3
147.11673	21.1
149.13277	4.9
157.10126	10.2
159.11760	23.4
160.44614	6.0
161.13245	22.0
163.14827	31.8
173.13217	33.2
175.11320	5.4
179.14366	8.3
187.14813	10.6
189.16341	6.6
201.16382	12.0
203.17917	31.6
213.16406	9.6
219.17577	5.1
221.18913	25.0
229.19563	25.9
231.17455	12.2
247.20526	9.5
249.18500	6.5
269.22717	23.2
287.23697	100.0
305.24738	45.1
323.25793	56.3
327.91922	6.0
446.57208	5.3
502.20279	25.9
503.20935	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	502.171
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05460	1.5
67.52962	1.1
69.47357	6.9
70.06581	1.4
85.02939	1.5
94.04185	1.2
103.05480	1.1
105.80190	1.1
111.04448	1.9
118.06520	1.7
122.03641	3.5
131.04887	2.5
137.05984	42.2
146.06030	1.8
147.04427	7.7
149.06001	2.8
151.03928	2.7
152.07053	2.1
152.72227	1.0
159.04501	1.5
161.05986	3.9
162.05505	5.5
163.03976	1.5
163.06223	3.5
164.07085	7.7
175.03894	3.1
177.05534	1.9
177.06990	8.2
178.04999	2.7
181.06526	1.9
187.03835	5.0
192.06493	1.5
193.06461	1.9
194.07306	2.1
195.08066	2.3
197.05946	1.1
204.08093	2.1
205.06505	26.6
206.07033	1.5
211.07506	1.6
221.05981	4.1
222.06789	6.4
223.07564	18.4
225.09142	1.8
232.07449	2.0
233.06009	12.0
234.06693	3.9
235.07443	1.7
237.09123	8.4
239.07004	2.5
240.07799	2.3
247.07573	1.5
249.05420	2.1
249.07837	2.6
250.06230	20.0
250.08652	11.3
251.07057	42.8
252.07726	3.9
253.08652	2.5
261.05457	3.6
263.07050	2.1
265.08640	20.5
266.08310	1.8
267.06482	2.3
267.09006	2.1
267.54480	1.2
268.07242	4.6
268.09674	2.4
271.09628	1.4
278.05679	24.0
278.08200	16.2
279.06491	10.7
279.08954	2.6
280.07156	1.2
283.09671	30.5
285.10077	2.2
292.09637	1.6
293.08075	53.2
294.08160	2.7
295.08426	7.5
296.06787	3.8
299.09113	11.6
300.12323	7.6
301.10709	1.2
308.31937	1.2
310.10754	33.8
311.09134	57.7
328.11801	100.0
329.10303	4.6
458.17938	2.1
502.17166	27.6
503.17664	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2928
Annotation	LysoPE(20:4(8Z,11Z,14Z,17Z)/0:0)
Peak:m/z	Relative Intensity
53.03940	4.3
55.01870	4.7
55.05512	11.9
57.03437	11.0
57.07069	2.4
62.06088	1.3
65.03954	1.8
67.05506	44.8
67.78229	1.1
69.07072	13.2
71.04976	1.4
71.07369	4.0
71.08640	1.2
71.17696	1.9
73.02926	1.6
73.27143	1.1
79.05494	35.4
81.03426	1.7
81.06599	2.0
81.07056	32.2
83.04962	2.3
83.08601	3.4
85.06541	2.8
86.09708	15.6
86.24073	0.9
91.05481	43.4
93.06483	1.9
93.07043	26.5
95.04958	3.4
95.08609	24.1
97.06523	4.0
97.10168	1.3
98.98452	3.1
105.07036	23.2
107.08584	12.8
109.06522	2.0
109.10153	5.1
113.79468	0.9
115.05467	1.5
117.07006	9.8
119.08592	22.5
121.10146	10.1
123.08062	2.4
123.11683	2.7
124.01548	1.1
124.99990	3.6
129.05481	8.8
129.06993	4.2
129.07903	1.2
131.08575	10.0
132.58025	1.0
133.10126	11.2
135.08080	1.2
135.11656	3.4
137.65204	1.1
143.08557	3.9
145.10152	5.6
147.11716	5.8
149.13304	1.7
153.34363	1.2
157.10097	4.9
159.11678	2.0
161.13254	3.7
163.01552	3.8
171.11699	2.7
173.13260	1.5
175.14880	2.7
184.07335	3.2
185.13252	2.6
187.14801	1.9
189.16380	1.6
197.11702	1.4
201.16393	2.4
203.17969	14.7
213.16417	1.1
216.06389	1.8
252.58139	1.0
269.22638	6.8
278.06631	1.3
287.23743	1.3
330.27911	4.7
361.27380	100.0
362.27701	2.4
443.25867	2.1
502.32947	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.7
55.01866	3.0
55.05514	14.7
57.03432	6.4
57.07088	1.6
67.05505	31.8
69.03418	1.5
69.07069	11.2
70.93909	1.7
70.94244	2.4
71.04980	2.3
71.08608	1.7
79.05497	28.5
81.03427	2.0
81.07053	33.5
83.04974	2.4
83.08629	10.0
85.06521	2.8
87.04482	1.7
91.04923	1.7
91.05485	28.9
93.06478	2.2
93.07045	28.1
95.04951	2.1
95.08604	26.8
97.06523	4.1
97.10152	3.2
105.04514	2.2
105.07034	26.7
107.07971	1.7
107.08598	16.7
109.10163	9.8
111.08047	1.9
115.05455	2.6
117.07018	13.8
119.08578	22.3
121.10138	16.8
123.08096	2.1
123.11675	3.8
125.09618	1.9
127.03902	1.1
128.06201	3.1
129.05458	3.2
129.07018	14.6
130.07835	1.6
131.08571	27.3
133.10139	19.3
135.07997	2.1
135.11687	8.3
137.09659	2.2
138.09056	1.3
141.07005	6.7
143.08575	16.0
144.09354	1.7
145.10118	24.3
145.11177	2.2
147.07979	1.3
147.11679	10.9
149.09615	6.9
149.13226	3.1
151.11221	1.8
153.07010	1.3
155.08572	10.3
156.09300	1.5
157.10130	12.7
159.11708	16.0
161.09601	2.9
161.13246	6.7
163.11168	2.3
167.08575	2.8
168.09380	1.5
169.10110	11.1
171.11679	15.8
173.09724	1.7
173.13268	12.3
175.14804	3.0
177.12761	1.7
181.10081	5.9
183.11696	12.5
185.09608	1.9
185.13239	11.3
187.11205	2.2
187.14833	7.3
189.12654	1.5
189.16409	1.4
195.11662	7.9
197.13303	10.2
199.11179	2.7
199.14861	8.3
201.16319	3.2
203.14308	2.6
209.13286	6.8
211.14885	6.5
213.12730	2.9
213.16431	3.6
213.27271	1.3
215.14301	1.3
223.14833	4.8
225.16454	3.4
227.14284	2.2
229.15808	2.6
231.17375	1.3
236.14922	3.5
237.16455	2.3
239.18082	2.8
241.19748	1.7
243.17558	2.1
251.17938	1.6
253.19608	2.1
255.17389	1.4
257.19092	1.7
259.20444	1.3
265.19540	1.8
267.21265	1.9
269.18872	1.8
271.20520	2.0
283.20532	1.8
285.22122	2.0
292.39426	1.3
297.22098	2.8
299.20187	2.0
299.23618	2.0
301.21445	2.0
311.23709	4.3
313.21799	1.3
325.21799	1.3
325.25323	3.0
335.23544	1.3
339.23383	1.6
339.37436	1.4
383.29361	1.5
391.29926	12.8
409.31018	40.2
417.29688	3.3
427.32190	5.6
483.34659	24.2
501.35684	100.0
502.35992	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	501.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	2.1
53.03952	7.1
55.01869	3.1
55.05513	26.0
55.36614	0.9
57.03432	4.2
57.07077	3.4
65.03941	4.5
67.05509	75.4
69.03427	1.3
69.07076	22.2
69.46459	7.2
71.04996	4.0
77.03924	2.0
77.15392	0.9
79.05498	89.5
81.03419	2.4
81.07060	79.6
83.04980	3.4
83.08627	14.5
84.04980	0.9
85.06535	3.3
91.05486	44.5
93.07048	91.1
95.04978	8.5
95.08615	32.3
97.06539	7.2
97.10167	2.9
98.21602	1.0
99.08094	4.6
103.05484	0.8
105.04513	3.4
105.07035	23.9
107.08601	28.8
109.06561	2.6
109.10138	9.2
111.08050	4.5
115.05481	2.4
116.06202	1.0
117.07027	15.9
119.08587	16.9
119.61227	0.9
121.06525	2.2
121.10152	44.7
123.08101	1.0
123.11714	3.5
125.09628	2.6
129.06958	5.3
131.08572	18.3
133.10133	18.3
133.11111	1.5
135.08067	1.6
135.11713	11.8
139.11194	1.3
141.07028	2.1
143.08543	4.6
145.10118	9.9
147.11674	4.9
149.09608	1.9
149.13271	21.3
151.11150	2.0
155.08553	2.1
157.10136	5.4
159.11703	16.7
161.13260	3.2
163.11214	1.3
169.10143	1.9
171.11739	4.6
173.13260	6.2
177.12723	6.1
181.10091	1.1
183.11725	3.0
185.13290	3.4
187.14850	2.7
195.11975	1.9
195.13811	11.2
197.13240	1.9
199.14822	1.9
201.12897	1.0
213.14786	1.5
213.16600	1.2
215.17964	3.8
233.19130	1.7
269.17566	1.8
289.21753	1.7
331.78406	1.0
357.06113	1.0
391.29977	2.5
396.57413	1.0
409.31021	6.7
411.70444	1.3
427.32486	1.3
435.03528	1.1
445.33478	1.2
446.12527	1.0
483.34671	3.4
501.35818	100.0
502.35925	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05328	1.3
53.03934	3.8
55.01848	3.6
55.05511	18.6
57.03413	6.4
57.07059	3.9
58.06606	7.3
59.00439	1.4
59.07372	2.0
65.03941	2.7
67.05510	41.6
69.03437	1.8
69.07075	17.6
69.27606	5.1
69.28034	8.8
71.04963	3.8
75.04436	1.9
76.27065	1.8
79.05499	38.4
81.07059	45.8
83.04941	2.1
83.08631	7.8
85.06521	2.9
91.05484	31.8
93.07050	35.7
95.04996	3.4
95.08612	34.5
97.06496	4.8
97.10144	3.2
98.21553	3.0
99.08080	2.6
105.07034	31.5
107.08611	22.3
109.06508	2.9
109.10171	12.4
111.08012	1.8
112.80078	1.4
116.06169	2.0
117.07012	17.7
119.08586	26.8
121.06482	3.3
121.10143	17.6
123.08022	2.4
123.11686	5.0
125.09603	2.8
128.06207	4.1
129.05487	4.0
129.06984	12.6
131.08575	35.6
133.10124	20.9
135.08038	2.3
135.11700	8.9
137.09528	1.6
137.13274	1.9
141.06950	6.8
143.08578	15.7
145.09087	2.0
145.10127	28.3
147.11684	12.5
149.09619	7.3
149.13202	4.4
151.11078	2.3
155.08560	10.2
156.09206	1.7
157.10143	15.6
159.11707	18.9
161.13266	7.9
163.11121	1.8
163.14767	3.1
167.08521	3.3
168.09196	2.1
169.10173	11.4
171.11707	18.0
173.09534	1.6
173.13264	13.7
175.11084	2.7
175.14781	4.9
181.10078	8.4
183.10260	1.6
183.11710	14.0
185.13277	14.9
187.11168	2.9
187.14758	6.2
195.11694	5.3
197.13188	6.9
199.11121	1.6
199.14897	9.9
201.12741	3.7
201.16328	4.1
203.14349	2.1
207.11668	2.3
209.13211	5.7
211.14726	6.4
213.12704	3.3
213.16336	6.6
215.18022	2.3
223.14729	4.4
225.16382	3.8
227.17928	2.3
236.14957	10.2
237.15256	5.3
239.17867	5.3
241.19536	2.9
251.17867	3.5
253.19450	2.7
257.19009	2.1
259.20499	3.3
283.20334	2.1
285.22238	2.4
297.21942	2.5
299.23560	2.3
309.21838	2.1
311.23520	3.7
321.21851	2.1
325.25116	3.6
333.24286	2.0
335.25803	4.0
349.25143	1.9
381.31702	1.8
382.42587	1.6
391.29922	15.3
397.23135	1.6
403.28143	2.3
409.31070	46.0
417.29807	4.8
427.31760	6.1
465.33923	2.0
483.34351	25.4
501.35336	100.0
502.35623	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1005
Annotation	Unknow
Peak:m/z	Relative Intensity
71.48341	4.9
74.66775	3.5
94.93000	12.9
96.67111	3.7
112.89590	9.9
113.00942	3.7
114.89350	4.4
119.01686	3.7
120.96663	32.7
132.96637	5.5
136.94037	26.5
144.04109	3.7
147.03206	5.1
148.94025	7.0
150.97673	5.8
158.92236	17.7
166.95096	11.2
175.02806	4.5
180.98790	6.2
187.02687	6.2
203.05362	8.0
212.85201	5.5
219.01723	5.9
219.10814	3.4
236.94194	3.3
241.00807	7.4
246.94350	3.7
247.04924	13.1
256.98312	8.1
268.98260	15.0
270.98093	7.9
279.03854	3.5
321.04785	6.3
333.48489	3.5
334.64258	3.4
335.13168	3.7
356.32751	3.2
365.10611	19.0
381.07333	5.9
403.06458	20.2
419.03537	15.5
457.11002	13.1
483.83200	4.0
501.10071	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.8
52.96261	1.1
53.03952	10.1
55.01873	2.5
55.05518	28.3
57.03432	4.4
57.07064	3.1
62.42106	0.9
65.03937	3.9
67.05509	62.9
69.07070	21.2
70.27883	0.9
71.04988	4.0
71.08646	1.6
77.03950	2.4
77.90285	1.0
79.05500	82.9
81.03414	2.1
81.07063	73.7
83.04974	5.3
83.08157	1.3
83.08625	16.3
85.06546	2.9
89.06026	2.0
89.67581	1.0
91.05488	40.7
91.91255	1.0
93.07051	78.4
95.04980	8.1
95.08612	29.4
97.06522	7.9
97.10168	3.4
98.20747	3.8
99.08109	4.4
105.04514	3.6
105.07035	21.6
107.04990	1.2
107.08604	26.6
109.06509	2.0
109.10151	9.8
111.08080	3.7
117.07019	11.2
119.08591	14.1
121.06516	1.6
121.10152	44.1
123.08064	1.3
123.11723	4.4
125.09654	2.2
128.06184	1.3
129.07030	4.4
131.08568	16.3
133.10146	15.8
135.08072	1.9
135.11707	12.7
139.11188	1.1
141.07098	1.4
143.08578	5.6
145.09032	1.4
145.10129	10.0
147.11694	6.8
149.09631	1.5
149.13280	20.1
151.38524	1.0
155.08641	1.7
157.10120	5.3
159.11694	15.8
161.13278	3.6
163.11134	1.6
171.11710	3.1
173.13283	5.0
175.14795	1.0
177.12752	4.3
181.10121	1.4
183.11722	2.9
185.13304	2.5
187.14813	2.7
195.12112	1.8
195.13800	9.3
197.13280	1.9
199.14824	1.7
211.14856	1.8
213.16438	1.7
215.17986	4.6
223.14690	1.3
233.19115	1.4
253.19763	1.3
269.17468	2.2
270.59497	1.1
313.27206	1.2
391.29758	2.0
409.31183	5.6
427.32108	2.6
445.33176	1.5
483.34717	3.7
501.35822	100.0
502.35992	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	500.41
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	6.4
57.07068	6.6
66.77618	3.4
67.05514	22.6
69.07063	7.5
69.34524	30.8
71.08652	3.9
71.20918	3.6
79.05484	3.9
81.07068	8.5
83.08624	7.3
92.67729	3.9
93.07046	6.1
95.08601	16.0
97.10214	4.6
98.21528	9.1
105.07020	3.8
107.08601	10.8
109.10174	25.8
119.08630	4.4
121.10158	14.1
131.08479	3.4
135.08084	4.9
135.11699	13.4
149.13281	7.6
163.07594	5.7
163.14778	5.8
174.55017	3.6
191.17967	100.0
223.16901	24.7
229.14352	16.9
233.19043	13.3
249.14903	11.1
283.26483	4.0
311.25778	12.0
331.89413	4.5
332.48334	3.6
369.28201	5.1
455.35168	32.4
465.35889	10.8
500.46823	7.9
501.23221	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	500.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39637	2.6
55.05492	3.4
57.07059	4.7
67.05504	4.8
67.52240	2.6
69.07053	5.5
69.21709	14.2
69.22137	13.5
70.06590	2.7
74.09716	4.1
79.05471	3.5
79.67155	2.5
81.07050	10.3
81.12372	2.7
83.08620	5.5
88.07644	2.9
89.06007	4.1
91.05428	4.3
93.07037	4.3
95.08620	21.8
98.21523	6.3
105.07029	5.4
107.08571	11.3
108.38603	2.8
109.10140	6.3
119.08578	8.5
120.71842	2.5
121.10136	8.1
133.10085	7.8
135.11685	5.5
144.69992	2.9
147.11639	3.9
159.11713	4.2
161.09648	3.9
161.13199	3.2
175.14790	11.1
189.16441	3.5
191.17955	6.6
201.12743	6.7
217.15852	5.2
219.17390	10.8
231.17560	3.8
233.15297	5.8
245.19046	4.8
247.16760	2.9
257.18970	24.6
259.16565	3.7
283.26340	6.3
313.27139	5.2
341.28430	3.4
367.26181	4.6
395.33087	29.7
412.07379	2.6
437.34183	44.6
455.35202	100.0
456.35632	3.4
500.40714	8.4
500.47165	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	500.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.5
55.05503	1.4
57.35455	1.0
59.98798	1.0
67.05499	2.5
69.07073	10.9
71.49534	1.1
79.05500	5.4
81.07072	2.3
83.08621	1.9
88.88142	1.0
92.38879	1.1
93.07032	2.0
95.08601	4.8
97.06534	88.8
107.08582	2.4
109.10166	2.5
111.08190	1.1
121.10145	1.9
133.10179	1.2
135.11688	1.6
142.12276	1.1
191.17973	8.0
195.90985	1.0
229.14427	1.2
250.67096	1.0
252.19615	2.8
283.26373	1.5
297.67126	1.1
308.22253	1.3
311.29205	1.2
331.26376	1.4
341.28427	1.6
359.29410	8.0
437.34061	1.9
455.35239	100.0
456.35651	2.3
482.40097	1.2
500.41074	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	500.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33888	1.8
51.51621	1.9
55.05516	20.6
55.67958	1.8
57.03445	9.7
57.07074	9.8
59.05009	2.7
60.08136	2.0
63.94536	1.9
67.05506	59.2
69.07069	24.2
69.07431	3.4
71.04981	3.1
71.08620	4.7
71.49828	3.1
79.05492	6.4
81.07059	17.4
83.08613	18.4
83.97247	2.3
85.06528	2.4
91.05471	5.1
93.07037	8.3
95.08046	3.6
95.08607	23.8
97.06516	3.5
97.10165	10.6
105.07085	2.2
107.08609	11.4
109.10165	60.8
111.04449	2.3
111.08069	4.5
111.11736	5.1
119.08562	8.7
121.10147	11.7
123.11715	2.7
125.99776	2.2
133.06436	4.3
133.10179	3.7
135.08060	5.3
135.11703	14.1
137.09630	3.5
137.13239	4.0
139.07423	2.5
147.08054	4.0
149.13216	7.0
155.10703	3.4
161.09700	2.7
163.07535	2.8
163.14790	2.1
173.11768	14.3
191.17950	100.0
215.17961	2.6
223.16948	9.0
229.14355	65.9
231.13896	3.2
233.19044	4.5
241.16177	2.0
249.14848	23.1
283.26447	3.5
311.25833	47.5
369.28009	5.6
437.34015	8.3
455.35248	38.1
465.35803	47.5
500.34207	2.7
500.40860	4.3
509.47812	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.4
55.01858	0.4
55.05513	2.9
57.03439	6.4
57.07048	0.8
58.06603	28.5
59.07383	8.9
60.08168	8.2
60.08464	0.3
66.95303	0.2
67.05516	1.9
69.06741	0.3
69.07071	4.1
69.16096	0.9
69.16525	1.9
71.08580	0.4
73.02886	0.8
75.04131	0.3
75.04482	3.8
79.05466	1.0
81.07044	1.7
83.08640	2.0
84.08123	0.5
85.02902	2.3
85.93920	0.3
86.09666	0.2
86.56449	0.2
87.04472	5.2
87.76511	0.2
93.05484	0.4
93.07026	0.9
95.08630	1.8
97.06506	0.4
97.10145	0.6
100.11263	0.4
102.05544	0.3
103.03918	0.7
105.05476	0.9
107.08560	1.0
109.10156	0.5
113.05981	0.6
121.10173	0.6
125.02881	0.3
131.07028	1.9
135.11717	0.5
144.10207	7.0
162.11244	4.7
164.43625	0.3
178.66432	0.3
200.12752	0.4
218.13857	0.6
236.14934	100.0
237.15305	1.2
356.46133	0.3
416.44739	0.3
437.73749	0.3
438.39224	0.3
482.38434	22.1
483.38586	0.6
500.39499	69.6
501.39771	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
58.62806	1.2
69.03432	2.1
69.07075	2.0
69.96404	6.8
81.07042	2.1
85.02908	2.8
85.06548	100.0
91.05486	1.9
91.75781	1.7
95.08633	2.5
97.02872	1.8
97.06532	2.1
105.07027	5.5
107.08580	3.0
109.10242	1.5
117.07046	2.0
119.08578	4.8
124.01598	1.2
131.08578	4.7
133.10114	8.6
135.11705	1.5
137.09653	1.8
144.09370	3.1
147.11681	1.5
157.10124	8.5
159.11707	83.3
160.11989	1.4
173.13275	3.1
177.12680	3.1
199.14787	12.8
217.15898	81.7
218.16228	1.9
235.16910	12.2
285.22137	4.3
296.94135	1.3
303.23254	9.8
321.24194	16.5
364.16754	2.0
379.19177	1.9
433.17816	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.5
56.05041	0.7
57.03444	5.7
59.05005	100.0
59.37111	0.5
60.05347	0.6
61.02931	1.0
67.05526	0.7
69.03418	0.9
71.49414	0.7
73.02940	1.3
79.05507	1.3
81.03418	0.7
81.07075	1.5
83.04984	0.6
85.02939	1.1
85.06537	0.6
87.00815	0.5
87.04504	0.5
91.03947	0.7
91.05508	1.3
93.07049	1.0
95.05015	0.5
95.08633	0.9
97.02919	0.7
97.06560	1.0
99.04476	0.5
99.08133	1.3
101.09679	1.1
102.57250	0.4
105.07060	1.3
106.06585	0.5
107.08627	0.9
109.10234	0.4
115.07585	2.4
117.09138	32.3
119.08646	1.1
127.08684	1.0
131.08603	1.0
135.08040	0.5
137.05995	0.6
141.06601	3.6
145.10254	0.8
147.11687	0.9
157.13416	0.8
169.13451	0.9
175.13322	11.6
187.14944	0.6
190.57265	0.5
226.06300	0.7
233.17516	4.2
241.08598	0.6
246.12497	0.6
251.18639	1.1
276.17426	0.5
280.08975	0.4
285.22327	0.5
287.99689	0.4
288.17361	0.8
291.21667	0.5
298.30371	0.4
334.09003	0.6
345.19269	0.5
379.19034	0.6
383.18158	0.5
439.21530	0.7
456.27451	0.8
483.36017	1.0
500.23236	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75068	5.4
53.09612	4.7
55.01875	10.0
55.05504	16.8
56.04038	4.8
57.03441	8.8
62.06096	59.7
67.05511	52.6
69.07072	14.7
71.07378	14.8
71.48680	9.4
78.65206	5.7
79.05505	46.2
81.07066	33.4
86.09730	40.7
91.05504	58.9
93.07037	45.2
95.08581	34.0
97.06535	12.3
98.98511	29.4
105.07054	38.6
107.04975	7.1
107.08588	21.2
109.10165	13.8
117.07030	19.9
119.08575	26.9
121.10135	15.7
125.00028	16.0
129.05469	7.9
129.06998	9.1
131.08583	37.2
133.10135	18.5
138.78595	5.2
143.08559	10.8
145.10141	19.2
147.11690	13.6
159.11693	11.5
163.01561	12.1
169.10246	6.3
171.11662	10.0
175.14821	6.8
184.07306	10.8
187.14752	7.0
189.16420	5.7
197.13240	6.4
198.05449	6.0
216.06396	8.6
267.20972	7.1
285.21954	9.6
328.26370	21.1
337.91858	5.4
342.06192	6.0
359.25888	100.0
378.93970	5.7
441.22897	8.1
500.30923	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88845	5.0
54.91775	5.1
55.05513	14.5
57.03425	8.3
59.05009	16.7
61.02901	5.2
62.06088	43.0
67.05505	33.5
69.03431	11.2
69.07062	11.8
79.05501	25.2
81.03389	7.7
81.07054	26.3
85.02911	8.6
89.06010	7.6
91.05493	44.5
93.07058	22.6
95.04983	5.0
95.06141	7.9
95.08607	19.5
97.02859	5.9
97.06535	12.0
98.06065	5.5
98.21532	18.1
98.98467	14.8
105.07016	33.2
107.08617	15.0
109.10137	5.8
112.03973	100.0
117.07028	21.2
119.08606	20.6
121.10174	9.3
129.07024	12.1
131.08554	36.1
133.10152	9.7
141.06914	6.9
143.08643	8.1
145.10118	12.4
157.10101	6.6
159.11723	9.9
169.10129	11.7
173.02081	8.0
183.11687	8.6
185.06000	7.0
201.12787	7.3
201.16449	11.4
233.28154	7.2
236.31352	5.4
243.20992	8.0
257.22894	6.2
267.21118	18.7
285.22092	33.7
298.01962	5.8
328.26410	8.1
338.13910	25.7
359.25757	47.4
384.28464	5.5
439.22308	7.1
500.27039	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	500.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02992	1.4
55.05509	2.1
56.05039	4.5
56.29778	0.7
56.37514	0.9
57.03426	1.3
58.06587	1.1
59.99108	1.7
60.29632	0.7
60.34557	0.7
61.02918	2.2
63.91867	0.8
67.73597	0.8
69.00890	1.6
69.03436	5.9
69.36277	4.4
69.36714	2.9
72.08154	6.6
73.02927	1.3
75.98594	37.4
81.03411	3.1
84.08150	3.1
85.02909	17.8
85.06566	1.2
85.07664	2.2
86.09694	1.2
88.07619	2.3
91.03951	1.0
94.06551	2.0
97.02895	7.5
97.06561	1.4
97.07750	0.9
99.04455	1.6
102.09189	2.5
105.01208	9.2
106.06554	8.7
109.02877	1.9
111.05595	0.9
115.08682	5.6
116.07059	0.9
118.03244	100.0
118.99162	2.5
119.06064	2.9
127.03928	5.0
127.08676	12.9
138.03732	1.9
139.20189	0.8
141.06580	2.1
145.04939	7.1
147.05867	7.3
157.13373	29.6
161.03860	1.9
162.06610	1.5
169.13374	5.3
173.64828	0.9
179.11914	1.0
189.10672	1.5
192.38933	1.0
204.11275	2.0
216.11357	6.9
224.04980	6.3
228.68219	1.0
233.09593	1.3
234.13297	1.3
246.12312	4.9
264.14432	2.2
266.09595	69.7
267.10062	0.9
276.17041	10.0
288.14142	1.2
288.17081	11.9
290.08176	1.1
307.11798	0.8
338.11111	0.9
338.15198	5.0
500.20462	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	500.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01579	0.8
51.02379	2.3
51.04874	0.4
51.27570	0.4
53.03949	15.7
55.01855	1.2
57.03435	0.6
57.98172	0.4
58.06597	0.5
59.99099	0.6
60.08155	1.6
61.02914	0.8
69.03430	3.2
69.83815	2.4
72.08163	6.3
73.06539	0.9
77.03936	3.8
80.23347	0.4
81.03405	2.0
81.07050	0.5
85.02914	4.9
85.07668	0.9
86.09695	1.0
86.79016	0.4
87.04502	0.5
90.09198	12.6
91.05483	0.6
95.04974	15.0
97.02880	2.2
97.06534	0.9
99.04431	0.7
102.03796	0.8
102.05590	0.5
102.09180	7.5
104.04995	7.0
105.04525	8.7
106.06550	0.6
109.02860	0.5
119.06416	2.7
121.37833	0.5
127.03919	1.4
131.06367	2.3
136.03949	1.9
145.04959	1.3
148.03935	100.0
149.04233	0.5
157.13362	1.1
173.11101	0.8
191.12123	8.4
237.12263	0.9
261.69431	0.5
264.14395	5.1
266.09610	9.6
305.11267	0.5
338.15292	5.6
399.17599	4.0
500.20645	42.0
501.21347	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	1.1
51.02372	1.3
53.03708	1.1
53.03946	9.3
55.01865	3.7
55.05515	26.0
57.03443	5.7
57.07086	1.8
58.06597	3.0
59.05013	1.0
65.03941	4.5
67.05508	56.7
69.03432	1.7
69.07076	13.2
69.57353	6.1
71.04980	2.3
74.21645	0.8
77.03920	2.6
79.05498	100.0
81.03425	12.7
81.07061	50.8
83.04988	19.9
83.08628	6.8
84.01106	0.9
85.06550	1.8
87.04465	1.7
91.05488	81.1
93.07048	76.4
95.04976	13.7
95.08614	24.3
97.02905	2.1
97.06552	5.1
97.10175	2.3
99.08085	4.5
103.05453	1.3
105.04535	4.1
105.07037	44.3
107.04965	11.5
107.08604	17.0
109.06531	6.8
109.10158	5.7
111.08064	2.3
115.05451	2.5
117.07027	8.8
119.08591	26.6
121.06585	1.5
121.10149	39.2
121.11044	2.0
123.08044	1.2
123.11711	1.7
125.09648	2.2
127.07580	1.2
128.06213	1.9
129.07014	13.6
131.08583	20.4
133.06549	1.5
133.10146	31.6
135.08060	1.5
135.11699	7.6
137.09612	1.2
142.07802	2.4
143.08553	3.8
145.10138	8.8
147.08064	3.0
147.11691	14.8
149.09631	3.4
149.13246	2.6
151.11203	1.0
155.08585	3.1
157.10150	18.0
159.11714	5.2
161.13301	1.0
162.11314	1.0
163.11203	3.6
169.10126	1.9
171.11699	3.5
173.13289	3.9
175.11186	11.0
181.10190	1.2
183.11736	3.5
185.13260	2.5
193.12239	16.7
195.11716	1.9
197.13234	2.2
211.13266	2.9
215.17990	4.7
233.19038	1.8
236.14951	10.1
267.15845	4.6
294.56253	0.9
307.22751	3.4
360.59540	1.1
369.29202	1.0
389.28104	1.6
407.29407	3.6
481.33188	3.0
482.38705	1.7
499.34210	68.5
500.40329	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	499.254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	17.4
55.01871	13.3
55.05516	31.6
56.05035	5.7
57.03432	14.6
59.04970	5.3
61.02902	6.3
63.39529	4.3
67.05499	39.2
69.03431	43.7
69.07077	28.2
69.86487	20.9
71.04989	20.1
73.02922	34.3
79.05496	27.4
81.03421	56.6
81.07062	76.3
83.04964	6.4
83.08603	12.0
85.02916	92.3
85.06547	15.7
87.00836	44.9
91.05477	38.0
93.07063	54.0
95.04949	11.1
95.08627	86.4
96.27614	5.5
97.02894	33.6
97.06538	14.8
97.10190	10.6
99.04445	17.3
105.01864	22.2
105.07042	46.5
107.08601	95.9
109.02904	30.3
109.10175	53.9
111.08086	12.7
113.09644	8.8
117.07047	9.8
119.08570	50.5
121.10155	51.3
123.08086	13.3
123.11758	11.2
125.09637	12.3
127.03113	5.7
127.03946	62.5
127.08685	12.0
129.06993	11.5
131.08542	23.5
133.10133	41.3
135.08063	7.4
135.11670	30.1
137.06079	6.0
137.09618	12.2
139.11192	22.5
141.06609	27.6
143.08667	5.6
145.05020	16.9
145.10133	29.6
147.11659	22.4
151.11139	5.4
154.24141	6.1
157.10194	9.4
157.13313	15.8
158.13678	6.0
159.02866	16.9
159.11713	51.4
161.05951	6.3
161.13274	16.5
163.03889	12.1
163.11168	6.6
163.14835	100.0
167.10655	9.9
169.13390	10.4
170.13687	5.1
171.11716	5.5
173.13234	21.0
175.07593	7.0
175.14864	13.6
177.12801	8.0
187.14819	13.2
189.16345	31.2
191.18054	8.2
203.18069	5.4
205.04959	5.9
205.08548	6.9
205.10907	6.7
207.17422	8.6
213.16345	5.1
215.17967	93.4
231.04979	7.4
233.19043	88.4
251.20068	81.4
288.17114	8.8
289.17377	6.5
336.06183	14.6
365.10272	15.6
366.31464	5.4
455.19452	6.4
481.11163	6.4
499.22168	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	499.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	1.1
51.02372	1.3
53.03708	1.1
53.03946	9.3
55.01865	3.7
55.05515	26.0
57.03443	5.7
57.07086	1.8
58.06597	3.0
59.05013	1.0
65.03941	4.5
67.05508	56.7
69.03432	1.7
69.07076	13.2
69.57353	6.1
71.04980	2.3
74.21645	0.8
77.03920	2.6
79.05498	100.0
81.03425	12.7
81.07061	50.8
83.04988	19.9
83.08628	6.8
84.01106	0.9
85.06550	1.8
87.04465	1.7
91.05488	81.1
93.07048	76.4
95.04976	13.7
95.08614	24.3
97.02905	2.1
97.06552	5.1
97.10175	2.3
99.08085	4.5
103.05453	1.3
105.04535	4.1
105.07037	44.3
107.04965	11.5
107.08604	17.0
109.06531	6.8
109.10158	5.7
111.08064	2.3
115.05451	2.5
117.07027	8.8
119.08591	26.6
121.06585	1.5
121.10149	39.2
121.11044	2.0
123.08044	1.2
123.11711	1.7
125.09648	2.2
127.07580	1.2
128.06213	1.9
129.07014	13.6
131.08583	20.4
133.06549	1.5
133.10146	31.6
135.08060	1.5
135.11699	7.6
137.09612	1.2
142.07802	2.4
143.08553	3.8
145.10138	8.8
147.08064	3.0
147.11691	14.8
149.09631	3.4
149.13246	2.6
151.11203	1.0
155.08585	3.1
157.10150	18.0
159.11714	5.2
161.13301	1.0
162.11314	1.0
163.11203	3.6
169.10126	1.9
171.11699	3.5
173.13289	3.9
175.11186	11.0
181.10190	1.2
183.11736	3.5
185.13260	2.5
193.12239	16.7
195.11716	1.9
197.13234	2.2
211.13266	2.9
215.17990	4.7
233.19038	1.8
236.14951	10.1
267.15845	4.6
294.56253	0.9
307.22751	3.4
360.59540	1.1
369.29202	1.0
389.28104	1.6
407.29407	3.6
481.33188	3.0
482.38705	1.7
499.34210	68.5
500.40329	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	499.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92071	4.0
59.84233	4.5
69.03456	3.5
69.79108	22.6
85.02917	7.4
90.70556	4.1
101.00903	24.6
103.02478	4.4
107.33235	3.8
108.18807	3.7
113.00895	12.3
119.01912	35.2
127.02431	16.5
131.01915	24.2
133.03491	5.6
135.04462	6.2
139.02408	5.0
143.01917	34.7
145.03542	37.6
149.97668	4.3
155.01900	51.9
157.03531	23.2
161.03024	31.6
163.03909	76.7
167.01926	17.2
169.03461	7.5
171.01334	6.5
171.04993	4.7
173.02968	66.4
173.71774	4.1
175.04517	5.8
179.01891	7.9
185.02968	50.7
187.04478	4.7
189.02472	9.3
197.03008	14.4
199.04570	4.8
203.02173	7.7
203.04030	18.7
209.02823	3.9
215.03995	15.3
217.01964	58.9
217.03864	3.2
221.02962	62.0
221.04919	4.8
227.04044	13.9
229.01854	9.9
235.02959	9.1
239.04036	7.4
245.05087	100.0
245.07509	5.5
247.02795	8.1
247.04848	5.9
247.06775	5.8
257.05133	15.0
261.05896	34.5
263.03802	22.6
263.06216	10.1
268.98093	5.2
275.06204	20.2
277.04001	18.9
281.05093	66.7
290.89832	4.5
293.04874	9.3
299.06207	12.3
301.03995	12.0
305.07208	13.0
311.06131	16.9
319.05603	21.2
323.06097	13.7
337.06049	22.6
353.07095	4.7
365.09271	11.7
379.05115	11.0
383.08353	12.0
499.12402	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	499.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	2.6
57.84883	1.5
61.23956	1.7
69.03423	1.8
70.99843	2.0
71.48141	2.6
82.99869	5.5
85.01419	2.5
85.02946	1.8
97.02895	2.3
98.97592	11.2
101.00883	30.9
103.02434	6.3
109.02830	2.4
110.97556	5.3
113.00871	9.4
119.01928	28.4
127.02433	20.3
128.98621	3.2
131.01903	22.8
137.03036	1.7
139.02394	6.1
139.84279	1.7
143.01909	38.8
145.03491	47.5
147.01428	2.3
147.04434	7.9
155.01894	45.2
156.98116	2.5
157.03485	18.4
158.99702	4.9
159.07883	2.6
161.02966	23.1
163.03848	23.6
167.01865	15.8
167.03000	1.8
169.03445	9.9
170.99666	2.6
171.01410	11.5
171.05081	4.5
173.01414	2.9
173.02965	56.8
174.99101	4.2
175.04521	3.3
179.01872	8.6
181.03497	3.3
181.51480	1.7
182.99738	3.8
183.01483	1.9
185.02971	53.5
187.04591	4.8
189.00940	2.3
189.02412	10.2
191.02324	2.0
193.00162	4.2
197.02988	15.7
199.00902	6.0
199.04498	5.1
201.00670	6.6
201.02359	2.7
203.02179	3.3
203.03979	16.8
205.05536	2.4
209.02870	3.0
215.04004	12.7
217.01961	69.7
217.05392	3.5
219.01874	4.2
221.02983	23.3
221.05122	8.4
225.02330	1.7
227.03951	8.6
229.01939	11.3
229.05571	3.7
235.03030	15.5
237.02751	2.2
239.04080	1.9
243.01611	2.3
245.02992	4.8
245.05101	100.0
246.05231	4.1
247.02733	11.5
257.05121	14.3
261.02820	9.6
263.03766	8.4
263.06195	8.3
265.05609	5.8
268.98181	4.8
275.04382	2.6
275.06342	16.6
277.04019	22.9
277.07108	2.8
279.03799	4.0
281.05020	25.3
293.07449	3.2
299.06155	2.3
301.04120	13.8
305.07260	8.3
307.08835	5.6
311.06171	4.8
319.05258	27.7
321.04950	7.4
323.06128	4.8
333.05383	1.8
335.07291	2.0
337.06311	28.3
355.08868	3.0
365.09305	11.8
379.05054	7.4
383.08191	8.8
397.06610	2.0
467.90912	1.8
499.11304	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98281	1.5
55.98655	1.2
69.97131	4.4
77.20224	1.2
82.99850	3.1
85.02905	2.0
89.03918	3.4
92.15932	1.4
94.99867	1.8
97.02912	2.2
98.97582	3.5
101.00879	19.6
113.00854	6.2
117.03371	3.6
119.01908	13.6
127.02402	7.2
131.01909	14.2
135.04402	11.0
137.05965	1.8
139.02351	2.0
143.01888	22.1
145.02617	2.2
145.03642	17.4
149.02989	2.7
155.01894	37.3
157.03473	8.7
158.99677	1.4
161.02960	18.3
163.03905	100.0
164.04221	2.6
165.46881	1.3
167.01974	6.3
169.03488	3.1
171.01411	3.2
173.02965	56.5
179.01965	3.7
185.00996	2.8
185.02966	25.8
187.04529	1.9
188.27821	1.6
189.02483	3.3
191.03973	2.1
197.02980	5.9
199.00876	3.3
199.04582	1.5
201.00696	1.8
201.02428	1.9
203.01938	7.5
203.04028	13.2
205.19942	1.3
209.02959	1.5
215.03999	12.5
217.01938	29.8
221.02962	91.3
221.04857	4.7
222.03152	2.9
223.06471	1.5
227.04024	5.2
229.01907	3.7
229.05612	2.1
235.02983	5.5
239.04060	8.2
245.02910	14.9
245.05119	38.0
247.02924	5.9
247.04842	3.3
247.06671	1.6
257.05081	5.6
259.02921	1.5
261.02802	1.6
263.03943	29.7
264.04172	1.4
275.03403	9.0
275.06537	13.3
277.04065	8.7
277.06982	1.3
281.05075	86.3
291.05643	2.2
293.04800	9.1
299.06146	13.1
301.04071	4.3
305.07239	4.8
307.06580	1.7
311.06201	17.4
319.02377	10.5
319.05634	4.8
323.06165	23.7
335.05881	9.0
337.06268	11.4
351.05417	2.1
353.07144	3.7
365.09445	2.3
379.05023	17.7
383.08304	16.7
397.05997	7.0
439.06955	1.7
499.11429	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	498.4003
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.3
55.54992	0.7
57.07079	33.9
58.06604	1.3
59.04992	1.6
61.02917	0.9
69.07085	1.4
71.08635	26.7
73.06557	7.3
79.05452	0.7
81.07063	0.7
83.08617	2.4
85.10187	21.4
87.04468	4.2
89.06034	100.0
90.06356	0.7
95.08616	1.9
97.10174	2.8
99.11745	3.4
107.07066	1.5
107.08623	0.7
111.11712	1.0
113.13280	0.9
117.09146	4.4
122.13371	0.8
130.08685	1.1
131.07048	1.4
133.08609	50.9
135.10182	1.3
155.17975	4.2
161.11694	1.0
173.88892	0.7
175.00029	0.8
177.11229	18.7
177.12714	1.2
193.15437	0.7
199.20590	4.5
221.13890	2.6
236.15001	2.6
239.14951	2.4
240.23349	0.8
243.23207	9.4
253.60580	0.7
283.17645	2.7
287.25928	4.2
327.20166	8.7
437.34555	1.3
481.37341	10.9
498.38779	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	3.9
57.07077	1.9
58.02614	1.6
58.06607	1.6
67.05519	2.8
69.07079	4.1
70.62117	3.6
74.19224	1.3
75.30065	1.2
79.05485	2.3
81.07066	7.9
83.08654	1.8
88.07639	2.4
89.06055	3.1
91.05494	2.1
93.07072	4.8
95.08615	25.8
97.10246	2.1
105.07057	2.1
107.07030	1.2
107.08594	11.0
109.10175	9.2
119.08565	2.3
121.06509	1.3
121.10133	16.4
123.11765	2.5
129.49136	1.3
131.08553	1.5
133.10147	2.6
135.08067	2.7
135.11740	3.1
137.13330	1.5
144.28998	1.2
145.10156	2.5
149.09618	2.6
149.13261	2.5
152.12654	1.1
161.09723	1.9
161.13361	1.5
163.07648	1.6
163.14882	9.5
163.16100	1.3
177.16397	8.9
187.14890	2.0
189.16483	2.3
191.18001	14.6
198.21262	1.2
203.14522	1.2
204.03751	1.4
205.15897	5.8
212.46695	1.3
219.17343	1.3
233.15359	26.5
233.17479	1.7
251.16376	1.6
256.26581	1.7
257.15500	1.4
269.24905	1.3
276.53314	1.4
315.19708	4.3
351.27094	2.4
352.97839	1.4
383.25864	4.9
389.32306	1.8
407.33154	13.3
408.33575	1.5
411.32733	4.4
425.34161	100.0
426.34683	2.9
427.35065	1.3
435.32983	2.4
453.33694	53.4
454.34326	2.3
467.51840	1.5
498.39636	72.7
498.48886	7.2
499.40158	2.7
499.50049	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.4
55.05513	1.9
56.05035	0.3
57.03437	6.9
57.03712	0.5
58.06601	33.1
59.05016	0.4
59.07382	10.2
60.08166	9.5
60.08481	0.3
65.03934	0.3
67.04871	0.2
67.05505	5.0
69.07063	2.2
71.19421	0.5
73.02924	0.5
73.16736	0.2
75.04483	3.5
79.05498	1.6
81.07060	4.4
83.08645	0.9
85.02910	2.3
87.04469	5.3
91.05483	0.7
93.05524	0.6
93.07029	1.2
95.08607	3.6
97.06554	0.6
99.57819	0.3
101.06024	0.3
103.03947	0.7
105.05544	1.3
105.07028	0.8
107.08606	0.6
109.10153	0.7
113.06036	0.4
119.08560	0.4
123.11773	0.4
131.07040	2.1
144.10199	7.9
159.06564	0.3
162.11244	4.5
162.12468	0.3
200.12822	0.4
209.05995	0.2
216.46056	0.2
218.13931	0.7
236.14929	100.0
237.15256	1.0
337.27277	0.4
436.37784	0.3
457.82462	0.3
480.36868	21.0
481.37357	0.3
498.37897	60.3
499.38281	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	1.0
55.05517	3.2
57.03437	5.4
57.07054	0.9
58.06603	39.4
59.04974	0.8
59.07381	11.2
60.08166	11.8
65.03914	0.6
67.05506	11.5
69.07066	3.7
73.02881	0.7
75.04488	3.1
79.05501	3.1
81.07063	8.1
82.94638	0.5
83.08575	1.7
84.08139	0.8
85.02887	2.3
86.09715	2.9
87.04467	4.0
89.06002	1.3
91.05439	1.4
93.07049	3.1
95.04927	0.8
95.08604	6.5
97.06557	0.5
97.12625	0.5
98.21576	0.9
103.24670	0.5
104.10742	4.2
105.05497	0.8
105.07007	2.4
105.11070	1.2
106.34573	0.5
107.08556	0.7
109.10117	2.3
113.06010	0.8
121.10089	0.8
124.99979	1.1
131.07018	1.6
133.08498	0.7
133.10100	0.6
144.10207	8.0
162.11205	1.8
184.07367	2.9
185.07635	1.6
186.07831	1.0
200.12737	0.7
206.02060	0.5
218.13742	0.6
232.13303	0.5
236.14934	89.7
237.15242	0.9
332.15015	0.6
436.38089	1.1
449.73947	0.5
480.36884	25.4
481.37347	0.9
498.37961	100.0
499.38376	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85004	0.3
55.05501	0.3
58.06601	3.6
59.04751	0.3
59.04995	2.1
59.99093	0.5
69.03427	1.4
70.09631	1.2
71.99093	1.0
79.05498	0.5
81.07054	0.4
82.44245	0.3
85.02895	0.7
87.04470	4.7
88.03759	0.3
97.02885	0.4
97.06493	0.4
100.02208	100.0
106.06557	12.0
107.08574	0.3
113.90539	0.3
118.03249	7.8
121.75066	0.3
127.03955	0.4
143.11740	0.5
146.02713	36.3
163.03882	0.5
171.11330	2.0
175.62408	0.3
231.08002	36.5
292.83932	0.3
336.13791	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	498.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	5.7
55.01880	5.8
57.03434	2.5
58.01323	1.1
59.99116	15.5
61.02919	3.7
65.95596	1.2
67.05504	2.0
68.99797	2.0
69.03434	17.0
71.04985	2.1
73.02913	4.7
79.05492	4.0
81.03420	18.4
81.07037	3.0
85.02910	44.1
86.05607	1.2
86.06075	21.6
87.00835	13.5
91.03930	1.6
95.08604	1.1
97.02905	16.0
97.74647	1.0
99.04467	8.6
102.00135	3.7
102.03755	3.0
105.01879	25.3
106.06564	100.0
107.08560	1.7
109.02880	18.9
115.96036	1.3
117.01867	1.8
119.08592	2.2
121.06554	1.0
122.09676	1.4
127.03924	39.0
129.01831	2.2
134.06091	1.7
137.05971	1.5
138.09157	1.1
145.04257	19.0
145.05058	13.5
145.10138	1.6
146.06021	1.3
147.02963	2.3
152.58824	1.3
157.10123	1.9
159.02917	13.4
163.03799	1.2
168.01184	1.7
184.11662	1.0
187.05247	1.6
189.03947	2.0
208.05418	12.3
213.03958	3.2
214.16786	1.0
231.05005	18.6
232.17752	2.4
249.06175	7.8
250.10162	11.4
298.62317	1.1
306.11606	5.3
308.04156	1.6
322.59232	1.0
327.75656	1.1
352.12274	10.7
354.13736	2.0
393.09589	19.3
450.22781	1.4
456.10593	1.8
480.17883	2.7
481.16437	1.9
498.15659	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.311
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80841	2.3
53.03951	19.8
55.01871	7.6
55.05318	2.3
55.05515	23.9
57.03439	51.5
57.07069	3.7
58.06612	16.1
59.07376	4.5
60.08157	4.7
61.02923	15.5
62.90422	2.2
64.07704	2.2
64.71587	2.1
65.03937	5.4
67.05505	98.1
69.03432	52.4
69.07070	26.4
69.64792	6.2
69.65208	9.3
71.01357	3.6
71.05003	15.4
73.02910	13.2
75.04489	5.0
79.05492	60.9
79.16651	2.2
81.03422	74.2
81.07057	100.0
83.04980	9.0
83.08619	9.2
85.02911	52.1
87.04472	9.6
89.06048	3.0
90.45452	2.1
91.03955	10.4
91.05486	45.3
93.05614	2.7
93.07042	74.1
95.04957	9.9
95.08607	84.3
97.02894	49.9
97.06519	6.1
97.10160	5.7
98.21497	3.9
99.04459	24.5
99.08083	3.9
101.02393	4.4
102.84673	2.5
103.03942	36.2
103.05415	2.6
105.04504	3.3
105.07033	38.3
107.04967	3.3
107.08606	31.7
109.02876	36.0
109.06503	5.1
109.10155	34.3
111.04439	5.1
111.08109	4.5
115.03919	9.1
115.53143	2.2
117.05509	4.5
117.07024	14.3
119.08573	23.9
121.10146	31.1
123.11704	12.4
125.02346	6.1
127.03923	39.1
129.05484	6.0
129.07040	4.7
131.08591	19.1
133.10132	21.1
135.11716	22.3
137.09550	3.5
137.13258	5.4
143.08549	5.0
145.04959	9.5
145.10123	14.1
147.11661	12.6
149.09587	2.4
149.13237	13.1
151.20491	2.4
154.01350	2.3
155.08531	3.1
157.10207	3.4
159.11661	11.4
161.09831	2.2
161.13274	12.6
163.14841	8.7
169.10191	2.7
170.22485	2.3
170.79088	2.2
171.06508	5.3
171.11662	3.8
173.09779	2.8
173.13292	8.9
175.14877	2.8
183.06552	14.0
185.13268	3.6
187.14902	3.7
193.15636	2.5
198.82573	2.5
199.06068	2.7
199.14777	3.5
201.07625	6.1
215.14384	3.0
236.14920	28.1
237.15273	10.5
243.21101	6.5
259.20514	4.9
261.22168	19.9
263.23660	4.1
281.23532	2.4
335.25870	34.1
363.25107	2.3
369.24286	5.6
387.25558	3.2
405.26422	15.8
423.27289	2.6
423.53082	2.5
479.29712	4.3
479.35550	7.7
497.30975	12.8
497.37357	36.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3602
Annotation	Oncostemonol G
Peak:m/z	Relative Intensity
53.27561	0.3
55.05507	0.6
57.07072	0.6
61.02913	0.3
67.05499	0.8
69.07071	0.9
71.49426	0.5
75.59148	0.3
79.05505	0.6
81.07063	1.3
85.02914	0.5
85.10143	0.4
89.06042	1.4
89.86267	0.3
91.03970	0.3
91.05487	0.5
93.07056	0.6
95.08617	1.3
97.10162	0.3
121.10143	0.6
121.52803	0.3
127.58649	0.3
128.05315	0.4
133.08614	0.7
145.11038	0.3
167.59836	0.3
254.41144	0.3
391.45294	0.4
393.42444	0.3
446.52676	0.3
479.35321	1.6
497.36047	100.0
498.36499	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	497.3603
Annotation	Oncostemonol G
Peak:m/z	Relative Intensity
62.80907	0.3
67.05492	0.5
69.25097	1.8
69.25533	1.5
79.05495	0.5
81.07075	0.4
81.27529	0.3
83.08586	0.4
89.06045	1.9
93.07043	0.7
95.08603	0.5
109.02641	0.5
119.04703	1.0
131.91432	0.4
133.06264	5.1
133.08571	0.7
150.37482	0.4
157.36829	0.4
159.55452	0.4
161.09384	26.5
162.10062	0.4
175.10965	2.1
176.11713	1.2
189.12547	0.9
191.15883	0.3
202.12131	0.7
208.10675	0.4
219.09946	7.2
222.63405	0.4
247.13071	7.5
260.41827	0.4
261.14673	0.7
262.15408	2.1
263.16196	21.4
266.03076	0.4
283.59512	0.4
284.17807	0.4
319.36407	0.4
356.18011	0.4
497.36047	100.0
498.36395	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	497.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	10.6
55.01868	8.3
55.05521	25.3
57.03444	30.3
57.64618	1.9
61.02929	63.2
64.28078	2.0
65.03936	4.9
65.92628	2.0
67.05511	91.0
69.03085	3.8
69.03436	43.4
69.07080	20.8
71.01343	7.1
71.04988	6.0
73.02921	27.8
75.04495	2.5
79.05501	55.8
81.03426	25.7
81.07063	100.0
83.04971	6.7
83.08622	10.2
85.02916	61.1
85.06577	3.5
87.04469	4.6
90.98615	1.8
91.03963	37.0
91.05485	37.2
93.06484	3.7
93.07050	63.4
95.04966	8.1
95.08614	64.9
97.02900	54.8
97.06522	7.1
97.10181	5.0
99.04475	13.7
99.08088	2.7
101.02396	11.5
103.03946	9.0
103.05486	2.4
105.07034	31.0
107.04982	3.3
107.08606	39.2
108.90475	1.9
109.02873	9.2
109.06518	7.3
109.10168	38.4
111.04463	3.8
111.08084	3.1
115.03939	8.4
115.05409	3.3
117.07018	11.6
119.08582	24.3
121.06488	3.0
121.10155	34.7
123.08099	4.6
123.10927	1.8
123.11693	12.9
125.09701	3.0
127.03919	19.8
128.06175	2.7
129.05482	7.3
129.06998	6.3
129.78467	1.8
131.08562	19.8
133.10159	16.7
135.11713	24.3
137.09645	4.0
137.13264	3.5
139.11205	2.4
143.08588	5.7
145.04967	6.5
145.06612	2.2
145.10120	16.8
147.11731	15.0
149.09671	2.8
149.13243	14.1
155.08525	2.5
157.10170	5.5
159.06627	2.5
159.11685	14.0
161.13231	9.5
163.11234	3.1
163.14828	8.4
169.10100	3.3
171.11722	4.9
173.13283	13.1
175.14864	4.6
177.12723	2.9
177.16499	2.7
178.31178	1.9
183.06572	4.4
183.11552	2.8
185.13196	4.2
187.14835	8.0
199.14867	3.3
201.07600	5.0
229.16054	2.7
243.21143	8.1
261.22137	19.3
277.21643	3.0
279.23035	2.3
301.21771	2.8
335.25821	72.5
351.22955	2.7
363.25244	3.9
369.24127	7.5
387.25406	2.4
443.28049	3.2
479.30170	4.1
497.31174	18.6
511.36819	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	497.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27610	0.7
69.07066	1.0
71.17585	1.5
79.66456	0.8
80.05020	2.3
81.80955	0.9
91.05486	0.9
94.06596	4.4
95.04974	1.0
95.07363	8.5
97.06526	7.5
108.04478	1.6
122.06027	18.3
123.06810	13.7
134.05997	1.3
137.06062	4.7
150.05507	24.6
151.06293	99.5
152.06686	1.5
171.68321	0.8
185.21320	1.1
189.09155	2.8
206.11757	1.1
220.13177	1.3
233.11740	15.6
248.12837	100.0
249.13148	2.5
250.14410	10.5
260.82492	1.0
340.58542	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.9
55.01873	11.6
55.05510	3.6
57.03436	9.5
57.93333	1.5
61.02927	6.0
65.49847	1.2
67.05502	7.7
68.99791	5.0
69.03431	49.8
69.07068	9.3
70.55214	3.2
71.01346	1.4
71.05005	8.9
73.02917	10.0
79.05496	6.8
81.03424	46.2
81.07052	17.6
83.01420	1.6
83.08615	1.9
85.02906	100.0
85.06544	29.4
87.00831	36.4
87.04496	2.2
89.01166	1.3
91.03942	2.2
91.05479	6.4
93.07048	25.7
95.04973	2.2
95.08607	17.2
97.02897	28.2
97.57882	1.3
99.04461	17.3
99.08090	3.6
101.02374	2.0
103.03928	1.6
105.01866	25.5
105.07024	12.0
107.08595	17.1
108.90971	1.3
109.02885	46.6
109.10139	6.4
111.04435	2.5
115.03936	2.6
117.01865	5.6
117.06983	2.2
119.08568	10.6
121.10155	10.2
123.11716	2.6
125.09644	4.5
126.02565	1.2
127.03921	78.0
129.01860	7.1
131.08549	4.5
133.10109	6.6
135.11707	7.0
143.08591	2.3
145.04965	30.9
145.10059	6.9
147.02844	6.1
147.11714	12.1
149.13264	31.0
159.02895	27.7
159.11728	10.3
161.13266	6.7
163.14816	3.3
171.11664	2.7
173.13277	5.6
175.14857	2.1
177.03964	1.5
183.11844	1.5
185.13284	2.0
187.14845	3.3
189.03954	4.0
189.16498	1.8
195.11758	1.6
213.04010	2.5
229.19505	2.9
231.05045	16.1
231.21112	4.9
247.20598	13.7
249.22147	18.7
259.20517	1.8
261.22183	5.0
271.20502	1.5
273.22137	2.8
285.22186	1.5
291.23203	5.0
339.23248	3.5
357.24304	2.6
357.44772	1.3
441.60101	1.5
443.24353	2.2
461.25186	4.1
473.83725	1.5
479.26517	4.9
497.27341	2.2
501.81958	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.8
55.01871	8.9
55.05505	5.1
57.03423	8.4
59.05006	6.0
60.25043	1.1
61.02925	8.0
61.36691	1.1
66.27511	1.2
67.05513	7.6
68.99785	5.2
69.03429	52.0
69.07066	9.2
69.55841	1.8
69.56252	6.5
71.01339	1.9
71.04994	6.8
73.02919	10.2
79.05503	6.0
81.03420	48.7
81.07052	19.6
83.01319	1.3
83.04974	1.9
83.08596	2.1
85.02905	100.0
85.06542	30.3
85.07012	0.9
87.00826	33.0
87.04442	2.2
91.03947	1.4
91.05475	8.8
93.07047	21.2
95.04965	1.4
95.08615	15.9
97.02885	31.2
97.06515	2.7
99.04450	19.2
99.08047	3.0
103.03926	3.3
105.01872	28.4
105.07033	14.6
107.08590	18.0
109.02880	48.3
109.10180	6.1
111.04471	1.8
111.08076	1.4
115.03907	3.6
117.01828	5.0
117.07042	1.3
119.08573	12.5
121.06522	1.8
121.10152	13.6
123.04380	1.3
123.08082	1.3
123.11703	3.7
125.09631	4.1
127.03912	83.0
129.01863	6.7
131.07039	2.4
131.08582	3.8
133.10164	5.8
135.11687	6.9
137.13225	1.1
141.07024	1.4
143.08565	2.5
145.04953	25.9
145.10091	6.7
147.02893	5.4
147.11707	10.9
149.13252	33.4
149.14391	2.7
157.10175	2.1
159.02890	25.0
159.11699	7.2
161.13214	6.2
163.11243	1.2
163.14796	3.7
169.04984	1.3
171.11667	3.3
173.07506	1.4
173.13258	5.2
175.14847	3.0
177.03905	1.5
183.11702	1.7
185.13287	1.5
187.14886	2.1
189.03972	5.8
189.16554	1.8
199.14807	2.1
209.13350	1.7
213.04025	4.2
227.14337	1.2
229.19449	2.8
231.05031	18.0
231.21153	5.2
235.14627	1.4
247.20544	12.6
249.22139	21.2
261.22116	3.8
273.06009	2.3
273.22131	2.2
285.22369	1.4
291.23166	4.2
321.22409	2.0
339.23108	3.8
357.24377	1.8
461.25317	3.9
479.26212	4.3
497.27072	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	497.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	14.9
59.55857	7.2
59.72402	6.6
60.71200	6.6
64.28176	6.6
64.31979	7.4
65.49754	6.5
67.05497	9.3
68.99802	7.1
69.03424	52.2
69.93359	33.2
71.04982	8.1
71.36217	6.6
73.73558	7.4
81.03423	64.9
83.04977	15.7
85.02911	100.0
87.00832	38.5
95.04946	11.3
97.02908	42.1
99.04456	15.4
103.03932	13.9
105.01878	28.3
109.02885	67.2
111.04436	12.8
112.99738	7.2
123.04418	13.1
125.02352	11.0
127.03917	86.9
145.04944	18.5
151.03935	15.5
159.02908	9.1
162.55215	7.8
169.04927	18.3
175.28574	8.0
187.05997	17.4
189.03906	23.0
193.04880	10.8
213.03941	14.3
231.04926	12.0
235.06017	13.3
273.06140	57.6
335.21811	23.2
494.07736	8.2
497.27005	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	9.7
57.03428	10.2
59.04996	7.3
67.05502	13.5
68.99791	10.9
69.03432	52.8
69.62427	39.5
71.01370	7.7
71.05009	7.4
79.05521	6.2
81.03421	50.4
83.04967	8.1
85.02909	90.4
87.00832	27.5
91.05499	9.3
95.04934	8.2
97.02906	37.6
98.21500	11.8
99.04445	15.2
103.03941	17.9
105.01875	22.8
109.02865	51.8
111.04440	14.4
112.53177	6.7
123.04433	8.3
125.02351	11.5
127.03916	100.0
145.04959	18.7
151.03889	18.2
165.05418	10.0
169.04991	25.7
187.06003	8.9
189.03925	23.4
193.05006	11.0
213.03897	7.8
231.05011	13.5
235.06030	11.1
255.04929	9.8
257.36111	7.4
273.06088	60.3
306.75992	6.5
335.52853	6.1
339.07315	8.4
407.21838	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	497.114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	16.6
55.01863	7.7
55.05492	9.9
57.03441	18.0
57.78752	6.6
58.06582	21.5
61.02935	10.8
67.05497	28.2
68.99782	8.9
69.03432	47.4
69.07054	8.3
69.40820	33.9
69.41238	18.2
71.01333	12.0
74.51440	7.2
79.05495	29.7
81.03416	63.9
81.07050	24.0
83.04963	13.2
83.08627	9.0
85.02909	95.7
87.00837	39.9
87.04448	7.5
91.05471	22.1
93.07040	14.2
95.04962	12.1
95.08606	18.0
97.02899	45.2
98.20818	17.7
99.04445	21.8
99.37304	6.6
103.04003	8.2
105.01855	19.7
105.07029	14.8
107.08587	8.2
109.02889	63.8
111.04382	13.0
119.04940	8.3
119.08642	8.8
121.10155	8.2
123.04427	13.4
127.03922	100.0
137.05971	7.9
145.04967	10.0
147.02866	7.2
147.08003	9.9
151.03880	15.8
169.04935	24.8
169.10152	7.6
187.06032	13.2
189.03963	21.3
191.25211	7.3
193.04948	12.7
195.11642	7.8
231.04967	8.0
235.05992	10.5
236.14981	76.7
237.15228	8.8
273.06082	59.7
288.41071	7.8
339.73416	7.4
379.24829	8.9
478.35300	17.6
482.15802	11.6
496.36517	47.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	13.2
54.48952	9.4
57.03427	16.9
59.05005	80.1
61.02919	20.6
62.38354	10.1
67.05489	27.7
69.03421	55.6
69.07072	14.7
69.94931	51.0
73.02930	13.9
79.05492	25.6
81.03411	60.7
81.07043	41.7
83.04996	14.5
83.78013	9.9
85.02906	100.0
87.00823	43.3
91.05470	34.7
93.07057	21.1
95.08591	25.9
97.02882	47.3
97.06500	19.4
98.20875	11.4
99.04453	22.6
103.03960	16.0
105.01852	26.8
105.07028	28.9
106.30389	10.6
107.08581	17.5
109.02888	74.1
109.10139	11.9
111.04450	13.4
111.60937	10.0
117.07038	11.0
119.08565	19.6
123.04435	20.7
127.03898	88.7
128.23259	10.3
129.01825	11.9
131.07036	43.6
131.08556	12.9
137.05913	12.7
145.10083	12.7
147.11719	11.7
151.03868	24.4
163.03944	15.5
169.04961	26.7
187.06075	22.4
189.03969	27.1
230.58745	9.9
273.06049	43.5
345.19235	12.0
364.39499	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	496.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.3
55.01875	0.3
55.05508	1.1
56.05024	0.3
57.03439	6.8
58.06602	31.3
59.04996	0.2
59.07384	10.0
60.08165	9.4
65.03926	0.3
67.05508	4.1
69.07074	1.1
71.04968	0.2
73.02913	1.1
75.04479	4.0
75.04890	0.3
79.05495	3.3
81.07062	3.0
83.05001	0.2
83.08620	0.5
84.08154	0.6
85.02910	2.5
86.09717	0.5
87.04471	5.6
91.05482	1.5
93.05521	0.4
93.07044	2.7
95.04959	0.4
95.08618	2.1
97.06576	0.4
98.21528	0.4
99.08150	0.2
100.11243	0.3
101.06023	0.3
102.05595	0.5
103.03947	0.8
104.10751	0.8
104.66478	0.2
105.04527	0.2
105.05499	0.8
105.07043	0.9
105.11076	0.2
107.08594	1.1
107.53299	0.1
109.10177	0.7
113.06011	0.6
117.07059	0.3
119.08602	0.4
121.10168	0.8
125.00042	0.2
129.05586	0.2
131.07036	2.1
131.08554	0.3
133.10159	0.3
133.85966	0.2
135.11751	0.3
138.48044	0.1
144.10205	7.8
147.11761	0.2
159.06541	0.4
162.11256	3.8
184.07364	0.4
185.07712	0.3
186.07832	0.2
200.12859	0.4
218.13821	0.8
236.14929	100.0
237.15262	0.6
335.25763	0.2
337.36694	0.2
365.63910	0.2
391.28381	0.2
434.36389	0.5
478.35315	21.9
479.36069	0.8
496.36368	62.7
497.36780	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07079	5.9
58.06605	100.0
59.06125	7.7
67.05492	4.6
69.07076	5.4
70.68481	12.8
71.08633	4.0
75.10354	4.3
79.28228	3.9
81.07053	9.0
89.06036	44.2
89.53355	3.9
108.09293	4.8
121.10124	6.2
128.81548	4.0
133.08604	26.9
149.13249	5.0
177.11278	12.4
191.17952	42.0
233.15349	13.4
283.17560	23.7
365.01364	4.6
366.83652	4.2
377.09033	4.8
439.35593	42.8
496.33304	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	496.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.9
53.03938	1.8
56.05022	0.5
57.07071	1.8
57.43040	0.5
58.06593	0.7
60.08170	10.1
62.70320	0.5
67.05515	1.1
69.07058	0.9
70.49364	1.0
71.07375	4.0
71.08623	1.2
71.28432	0.5
77.03941	0.8
79.05502	5.2
81.07060	0.8
85.10213	1.0
86.09712	27.6
87.04465	1.1
89.06038	14.1
91.05482	2.2
91.63896	0.5
93.07056	3.9
95.04979	1.6
95.08601	0.6
98.98483	1.5
103.05497	3.9
104.10751	55.1
105.07038	100.0
106.07385	0.8
119.04980	0.7
119.08604	0.8
121.06515	15.6
125.00017	15.8
129.07011	0.9
131.08569	0.9
133.08612	5.9
143.68399	0.6
147.08057	3.7
149.09612	0.7
163.01503	0.6
165.09113	6.3
177.11255	3.7
177.12619	0.7
184.07356	50.7
209.11693	1.4
209.13364	1.2
225.12834	1.1
258.10938	0.7
269.15488	1.1
271.15421	39.7
272.15759	0.6
272.46115	0.5
304.76895	0.5
308.67511	0.5
313.27295	0.8
375.21765	8.4
438.12881	0.7
450.65268	0.5
452.14328	0.7
453.15167	0.7
467.17053	1.2
478.32901	5.1
481.14987	1.4
496.17197	8.3
496.33984	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	496.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31866	0.1
54.92615	0.2
56.05028	0.6
57.03426	0.3
57.07073	0.6
58.06617	0.6
60.08169	5.8
62.64000	0.1
67.05509	0.3
70.94191	0.4
71.07376	2.8
71.08636	0.4
71.76917	0.2
77.76035	0.1
81.07059	0.4
86.09709	29.3
93.07015	0.2
95.18850	0.2
98.98470	3.1
104.10754	3.1
125.00011	20.9
138.65439	0.2
144.13062	0.1
184.07349	100.0
185.07642	0.3
236.14874	0.3
250.41196	0.2
258.10947	0.2
313.27356	0.3
478.32956	1.0
496.34055	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3399
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
53.09459	0.3
55.05510	0.8
56.05025	1.4
56.91695	0.3
57.03423	0.6
57.07079	3.5
58.06581	1.4
60.08165	17.3
65.33596	0.3
67.05501	0.5
69.07074	0.6
69.93466	1.3
71.07375	6.5
71.08630	2.0
79.26910	0.3
81.07064	0.6
81.90531	0.3
83.08615	0.7
85.10178	1.2
86.09710	47.1
92.83266	0.3
95.08607	1.3
98.98467	4.1
104.10748	100.0
125.00012	27.6
130.02023	0.3
144.03775	0.4
163.01494	0.6
181.02710	0.4
184.07349	94.9
221.57103	0.4
258.10995	1.2
272.97418	0.3
276.62381	0.3
313.27435	2.0
409.18536	0.3
419.25372	0.5
478.32980	8.6
496.34003	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	496.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
56.05031	1.1
57.03447	0.5
57.07067	2.6
58.06593	1.2
59.07395	0.7
60.08166	11.5
67.05483	0.9
70.06591	0.5
71.07372	4.6
71.08601	1.0
77.03951	0.8
79.05494	5.5
81.07059	1.3
86.09709	34.7
87.04471	2.1
89.06031	14.2
91.05479	2.0
93.07038	4.4
95.04974	1.7
95.08601	1.4
98.98455	2.5
103.05457	4.2
104.10745	71.0
105.07033	100.0
106.07352	0.9
109.05128	0.5
119.04960	0.6
119.08560	1.2
121.06510	15.2
125.00010	21.7
129.06982	0.7
131.08586	0.8
133.08614	6.0
147.08041	4.3
149.09645	0.6
159.45000	0.5
162.17548	0.5
165.09096	6.1
177.11320	3.1
183.06253	0.6
183.10196	1.1
184.07344	69.2
199.85913	0.5
209.09769	0.5
209.11713	2.0
209.13423	0.8
219.24913	0.5
225.12675	0.9
258.10956	1.4
271.15411	38.2
313.17627	0.6
313.27341	1.0
358.63248	0.8
375.21628	7.3
410.13458	1.4
425.16251	0.5
452.14761	1.5
453.15323	1.4
467.17148	2.3
468.17706	0.8
478.32941	5.8
481.14618	0.9
496.17001	9.7
496.33957	19.9
497.16858	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65956	2.4
53.03949	14.0
55.01860	11.9
55.05505	8.8
57.03426	10.2
61.02911	8.2
67.05488	8.0
68.99791	5.6
69.03088	4.4
69.03432	59.8
69.07048	10.5
69.45794	20.0
70.43336	2.6
71.04977	9.8
72.37569	2.4
73.02923	12.4
74.31969	2.7
79.05477	8.6
81.03419	55.6
81.07063	16.7
83.08616	3.3
85.02908	100.0
85.06539	19.7
87.00832	32.3
87.04473	3.6
91.05475	11.0
93.07047	15.2
95.04966	2.8
95.08614	26.1
97.02894	31.0
97.03471	4.8
97.06489	4.6
99.04458	19.3
99.08093	3.8
105.01861	21.2
105.07034	45.8
107.08588	16.2
109.02882	49.7
109.10155	10.8
111.04414	3.3
117.01822	6.5
117.07022	3.0
119.08581	28.6
121.10117	10.5
123.08095	2.9
123.11703	2.8
125.09617	3.0
127.03925	78.8
129.01833	4.4
129.05490	3.3
129.07018	4.9
131.08571	12.5
132.55844	2.8
133.10132	10.4
135.08002	2.6
135.11713	8.3
137.06049	2.7
143.08534	7.5
144.09280	2.6
145.04956	23.2
145.10135	24.9
147.02867	5.4
147.11690	30.3
149.13184	6.8
155.08611	4.0
157.10117	10.9
159.02901	32.1
159.11705	28.6
161.13281	8.3
171.11674	5.0
173.13293	16.6
185.13214	3.5
187.14876	6.2
189.03989	4.2
195.11708	3.2
199.14981	3.0
201.16449	3.5
203.17984	9.1
213.03889	5.7
227.17880	3.5
229.19537	26.0
231.05060	14.2
245.19002	11.7
247.20601	33.8
271.20706	3.3
289.21570	3.2
337.21442	3.3
355.22687	3.1
382.20331	3.0
404.81543	2.6
432.11475	2.5
459.23816	3.2
477.24515	6.8
495.24890	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	2.2
53.03951	13.7
55.01871	16.9
55.05508	7.0
57.03437	10.4
60.49611	2.0
61.02919	9.2
62.37061	2.1
65.03951	2.4
66.81448	2.0
67.05511	16.3
68.99784	8.7
69.03088	4.1
69.03434	56.6
69.07073	12.0
71.04983	7.5
71.22448	4.7
73.02927	12.4
79.05502	13.6
81.03420	54.9
81.07056	23.3
81.55132	2.3
83.08606	2.8
85.02910	100.0
85.06540	23.5
87.00828	45.7
87.04478	3.3
90.31351	2.0
91.03953	3.6
91.05483	16.3
93.07052	19.2
95.04945	2.5
95.08610	43.2
97.02897	40.7
97.06541	6.2
99.04445	20.6
99.08062	2.9
105.01869	30.1
105.07025	38.9
107.08598	23.9
109.02879	45.6
109.10180	16.8
115.03952	3.2
117.01865	6.3
117.07009	5.3
119.08591	34.3
121.10164	11.9
123.11730	8.3
125.00552	2.2
125.09634	3.6
127.03918	89.9
129.01816	5.1
129.06975	4.7
131.08560	16.1
133.10130	20.7
135.11682	12.4
137.05923	2.2
143.08575	9.2
145.04974	29.4
145.10121	27.5
147.02863	5.6
147.11679	28.7
149.13277	6.2
155.08539	3.4
157.10120	9.7
159.02873	34.5
159.11702	29.8
161.13280	12.9
171.11685	8.7
173.13271	26.6
175.14781	5.8
181.64278	2.2
183.11690	2.4
185.13185	10.2
187.14757	10.6
197.13327	3.8
199.14867	4.3
201.16367	5.8
203.18019	14.0
211.14822	3.0
213.03835	3.6
213.16359	2.3
223.14885	2.3
227.17908	7.4
229.19542	35.2
231.04980	14.9
231.21043	8.0
241.19443	4.3
245.18982	9.0
247.20590	50.2
271.20493	2.8
303.18021	2.3
319.90637	2.2
355.22696	2.5
477.24982	3.6
495.17538	2.2
495.25595	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	14.0
54.21833	2.2
55.01875	14.0
55.05511	5.7
57.03423	10.6
60.26552	2.1
61.02908	7.8
67.05495	10.3
67.58284	2.1
68.99768	8.5
69.03432	60.4
69.07063	11.0
69.65771	2.1
71.04977	7.6
71.49088	3.2
73.02914	11.1
79.05497	11.3
81.03424	59.8
81.07063	22.4
85.02910	100.0
85.06544	26.0
87.00835	44.9
91.03986	2.5
91.05476	11.4
93.07043	16.7
95.04986	3.7
95.08604	33.5
97.02896	40.3
97.06524	5.5
97.10176	2.2
99.04453	21.5
99.08073	3.8
105.01867	26.6
105.07039	40.6
107.04941	2.4
107.08605	21.0
109.02889	52.5
109.10161	10.8
109.79831	2.3
114.16279	2.3
117.01836	6.2
117.07009	6.5
119.07914	2.5
119.08600	24.8
120.65305	2.4
121.10126	10.2
123.11681	4.6
125.09621	2.8
127.03920	91.5
129.01836	9.2
129.07007	3.3
131.08582	15.2
133.10144	15.1
135.08070	2.6
135.11685	13.0
137.09639	3.3
143.08571	6.4
144.09309	2.4
145.04958	26.6
145.10135	20.8
147.02902	5.4
147.11696	34.0
149.13248	6.5
157.10175	6.6
159.02921	33.1
159.11690	32.5
161.09610	2.8
161.13271	9.4
171.11685	6.1
173.13280	18.8
175.14766	3.1
183.11688	3.8
185.13208	4.5
187.14850	10.6
189.03955	3.3
189.16235	2.3
197.13266	2.4
203.17929	10.6
209.13158	2.5
209.66957	2.5
213.03992	3.4
227.17877	6.2
229.19499	31.4
229.39009	2.6
231.04980	20.9
231.21098	4.6
239.18024	2.7
241.19460	3.5
245.18976	12.4
247.18190	3.6
247.20602	45.5
259.20505	3.2
271.20721	3.1
289.21634	5.8
306.15613	2.4
337.21487	4.2
373.23868	3.5
427.41217	3.1
459.23755	4.7
477.24933	5.6
495.25296	15.9
495.39655	2.4
502.88498	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	494.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.3
55.01878	0.5
55.05512	1.9
56.05034	1.2
57.03436	0.4
57.07087	0.7
58.06575	1.8
60.08165	16.5
67.05502	1.5
69.07069	2.0
70.06599	0.5
70.50244	0.8
70.50584	0.6
71.07372	6.1
77.93702	0.3
79.05497	1.3
80.15643	0.3
81.07049	2.2
83.08616	1.0
86.09708	48.9
91.05480	0.5
93.07056	1.2
95.08620	2.2
97.06535	0.5
97.10150	0.3
98.98466	3.8
104.10747	94.2
105.07053	1.1
105.11058	0.5
107.08581	0.8
109.10162	0.6
111.08134	0.8
121.10146	0.8
123.53959	0.3
124.57572	0.3
125.00008	25.8
131.08604	0.3
135.11668	0.6
144.74135	0.3
149.02350	0.5
149.13268	0.3
153.04346	0.3
174.46895	0.3
184.07346	100.0
185.07736	0.4
193.05057	0.8
236.14970	0.9
237.07605	0.7
251.03979	0.3
258.10995	0.9
271.41519	0.3
284.29877	0.3
290.83539	0.3
311.25891	0.9
328.92014	0.3
476.31396	8.3
494.32401	24.2
495.16415	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	23.0
55.01874	22.0
55.05512	22.4
57.03439	18.9
57.07085	5.3
61.02935	4.5
63.18900	3.0
65.03944	6.0
67.05506	66.4
68.99797	7.1
69.03435	50.7
69.07058	12.8
69.30293	14.3
69.30718	12.0
71.04991	23.4
71.08601	4.3
73.02925	8.0
77.03918	3.2
78.01698	3.1
79.05498	77.9
81.03423	76.6
81.07063	54.1
83.04993	20.0
83.08611	6.1
85.02905	100.0
85.06546	5.7
87.00828	16.2
87.04472	13.7
91.05479	87.7
93.07050	76.2
95.04978	32.5
95.08621	36.5
97.02893	23.2
97.06535	11.4
97.10173	2.8
99.04460	23.3
101.02363	5.5
103.03923	3.6
103.05482	7.6
105.01833	3.5
105.04460	2.9
105.07027	71.0
107.04989	24.4
107.08599	33.7
108.20236	2.9
109.02885	50.2
109.06523	10.5
109.10153	16.9
111.04435	15.3
111.08072	5.1
113.02386	5.7
113.06010	7.1
115.03938	7.5
115.05437	9.8
117.07021	46.9
118.59387	2.9
119.04888	3.8
119.07806	4.3
119.08584	33.4
121.06496	28.5
121.10164	13.4
121.78429	3.2
123.04424	8.4
123.08077	7.8
123.11744	3.2
124.86580	3.4
125.05993	4.2
127.03926	80.3
128.06190	9.8
129.01866	5.3
129.07022	24.1
130.07878	3.2
131.04929	9.0
131.08569	55.4
133.06479	17.7
133.10141	18.8
135.04405	7.3
135.08064	17.4
135.11694	17.9
137.05986	13.8
137.13274	3.4
139.03880	3.6
140.22636	3.0
141.06979	10.3
142.07764	4.6
143.08595	24.4
145.04979	9.4
145.06496	18.0
145.10121	40.6
147.08072	17.1
147.11694	12.8
149.05952	10.5
149.09633	13.6
149.13251	14.7
151.07535	8.5
151.11234	6.1
153.05518	2.9
154.07811	3.6
155.08543	18.7
157.06487	4.4
157.10117	10.9
159.02861	4.9
159.08029	12.2
159.11687	19.9
161.05984	3.3
161.09616	6.6
161.13274	5.2
163.07516	12.9
163.11208	5.5
165.06926	3.7
165.09123	8.1
167.08543	4.3
169.10161	18.1
171.08049	6.5
173.09676	6.5
173.13203	8.1
175.11154	6.9
177.09169	9.9
179.08594	3.1
179.10652	3.2
181.10051	3.2
183.08095	6.0
183.11725	7.3
185.09656	6.0
185.13266	19.4
187.07573	3.7
187.11224	8.5
187.14821	39.8
189.04015	4.6
189.12804	3.8
191.10681	6.0
193.10193	3.8
193.12201	3.4
199.11148	4.4
199.14780	8.8
201.03999	3.4
201.12743	5.5
201.16438	7.7
205.12157	6.3
209.09677	3.3
209.13405	3.8
211.14865	9.2
213.03845	15.1
213.12793	4.1
215.14272	3.2
219.17505	6.3
223.14922	3.9
225.12820	4.6
229.12279	3.7
229.15883	13.5
231.05064	9.1
239.14301	4.0
241.15916	7.4
243.17480	4.6
245.15388	7.7
247.16928	34.6
257.15289	3.6
259.16959	7.2
271.17017	5.8
287.16516	6.9
289.18042	13.5
301.18164	6.7
309.18619	4.6
313.18008	6.8
327.19675	3.6
331.18909	4.9
337.17914	9.0
339.14374	4.0
355.18997	13.7
373.20023	13.6
439.13245	3.4
441.18805	5.2
459.20001	9.4
477.21204	16.3
495.22156	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	494.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.3
56.05026	0.7
57.07066	0.4
58.06608	0.8
58.82603	0.2
59.07393	0.3
60.08167	6.8
66.75142	0.2
67.05494	0.7
69.03398	0.3
69.07063	0.7
70.06607	0.5
70.38386	0.4
70.38776	0.4
71.07385	3.0
79.05479	0.3
81.07068	0.6
86.09712	30.1
88.07619	0.5
91.05509	0.4
95.08621	0.4
95.16001	0.3
97.10185	0.3
98.98476	2.8
102.09172	0.5
104.10750	3.0
107.04974	0.3
118.93303	0.2
125.00014	22.4
133.10156	0.3
137.06021	0.3
143.01038	0.3
144.91856	0.2
149.02350	1.4
149.03360	0.3
184.07355	100.0
185.07677	0.5
193.04997	1.5
216.25455	0.2
236.14946	1.2
237.07570	1.7
257.34894	0.2
284.29514	1.1
472.92889	0.3
476.31342	1.2
494.34671	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	494.3243
Annotation	Vinylamycin
Peak:m/z	Relative Intensity
55.05516	2.1
56.05034	1.1
57.03441	0.3
57.07076	0.6
58.06601	1.3
59.07370	0.4
60.08164	16.8
62.39816	0.3
67.05493	1.4
69.07066	2.8
70.06587	0.4
71.04996	0.4
71.07374	6.6
79.05501	0.8
81.07069	1.9
83.08627	1.7
85.06535	0.4
86.09706	52.5
87.04454	0.8
91.05497	0.7
93.07037	1.2
95.08607	1.5
97.10177	0.7
98.20749	1.2
98.98466	4.2
104.10744	100.0
105.07030	1.5
107.08582	0.6
123.11696	0.4
125.00008	28.7
149.02393	0.8
163.01561	0.7
181.02505	0.5
182.39365	0.4
184.07341	98.0
185.07745	0.4
193.05087	0.5
237.07639	0.9
258.11023	1.2
284.29468	0.6
311.25812	1.3
476.31439	7.5
494.32407	25.0
495.32468	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57620	1.4
53.03933	1.9
54.24580	1.3
55.05516	23.1
57.03436	11.3
57.07084	11.5
64.79967	1.3
67.05506	23.5
69.03401	1.4
69.07069	26.1
71.04963	1.9
71.08609	5.2
71.08968	1.2
79.05491	12.0
81.03381	2.5
81.06663	2.0
81.07063	21.5
83.08624	21.8
85.10151	2.2
87.04444	1.6
89.06021	4.9
91.05475	5.0
93.07036	12.1
95.08610	21.6
95.94100	1.2
97.06512	3.2
97.10158	12.1
98.20755	3.5
98.98472	50.4
99.08086	1.9
104.33858	1.2
105.07014	2.1
107.08587	6.0
107.72530	1.6
109.10169	11.4
111.08044	1.9
111.11688	2.4
114.72699	1.4
117.07013	1.9
121.10161	7.6
123.11710	2.6
126.90175	1.4
127.11246	1.2
128.41750	1.4
133.08626	1.8
135.11671	8.2
136.99979	4.5
137.13182	1.5
140.70107	1.5
149.13261	3.7
151.14738	1.7
155.01053	47.9
177.16350	1.4
191.91821	1.4
191.98116	1.3
193.02679	2.3
211.03635	3.7
229.04747	3.4
247.24164	3.2
265.25281	6.2
266.98502	1.6
339.28940	100.0
340.29446	1.8
475.28174	13.8
493.32712	6.3
493.39246	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	493.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	7.8
57.03445	6.3
57.07081	54.3
60.08125	5.0
66.91211	4.8
67.05518	20.1
69.07057	15.9
69.13222	49.2
71.08627	41.1
79.05489	8.6
81.07059	23.2
83.08611	20.8
85.10172	22.5
91.05490	9.4
95.08600	32.9
97.02843	4.4
97.06531	5.3
97.10165	8.2
105.07018	10.4
109.10179	16.7
111.11708	4.1
123.11668	8.7
137.05963	4.8
184.07391	13.8
236.93066	5.2
239.23700	42.3
257.24695	9.0
313.27371	100.0
315.18533	4.3
338.90967	4.7
493.34888	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87540	2.0
53.03941	3.2
55.01865	4.6
55.05510	23.8
57.03433	7.1
57.07079	62.0
58.42176	1.9
65.03941	3.2
67.05505	69.0
69.07074	27.3
71.01360	3.6
71.04978	5.0
71.08628	38.3
79.05491	49.4
81.03416	7.0
81.07052	48.7
83.04990	14.4
83.08620	23.2
85.06524	4.8
85.10184	19.6
91.05469	21.8
93.07044	51.3
95.04961	5.4
95.08607	38.9
96.90773	2.0
97.06524	13.1
97.10172	16.3
99.08125	2.1
103.48861	2.1
105.07034	7.1
107.08590	35.5
109.10164	24.0
111.08033	2.2
111.11740	3.6
117.06966	4.5
119.08591	6.2
121.10143	7.0
123.11718	5.2
125.06020	2.4
125.13270	3.6
133.10138	2.4
135.08054	6.6
135.11696	57.9
137.13300	3.4
145.10159	9.3
153.12752	5.3
163.11203	6.7
181.12277	15.8
185.83412	2.2
199.13289	2.3
219.21793	2.1
220.89737	2.2
221.22836	2.8
229.11963	2.2
239.23637	14.1
243.55072	2.4
313.27692	1.9
493.32776	8.9
493.38962	100.0
494.39590	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72176	2.4
53.03957	17.4
53.82357	2.5
55.01870	15.7
55.05501	10.3
57.03448	13.2
61.02920	10.5
65.03948	2.5
67.05501	12.1
68.42445	2.4
68.99796	19.0
69.03431	71.4
69.07053	9.0
70.00126	3.9
70.73608	5.3
70.73953	4.4
71.04986	11.2
73.02919	14.8
79.05504	18.4
81.03418	68.5
81.07062	23.8
83.08618	3.0
85.02906	100.0
85.06051	4.3
85.06537	25.1
87.00836	45.7
87.04451	3.7
88.60987	2.6
89.03911	3.6
91.03954	3.6
91.05488	17.5
93.07045	22.1
95.04942	3.2
95.08607	29.4
97.02895	41.6
97.06515	3.7
99.04449	23.4
101.02377	3.3
103.03913	3.1
103.05522	3.3
105.01867	22.3
105.07037	41.4
107.04967	7.1
107.08615	25.1
109.02891	60.1
109.06481	4.5
109.10144	10.4
111.00789	4.1
111.08032	2.9
115.03909	7.4
115.05424	3.7
117.01881	4.8
117.03344	5.7
117.07029	10.0
118.03732	3.0
119.08586	27.0
121.10130	23.5
122.09698	3.3
123.04424	8.0
123.08021	3.6
124.04773	3.1
127.03925	95.4
128.06184	6.5
129.01836	6.8
129.07005	15.9
130.07785	4.0
131.04880	3.7
131.08565	28.8
133.10139	24.3
135.04442	14.0
135.11685	7.8
136.04749	6.9
137.02368	13.3
137.05984	6.4
137.09618	2.9
138.02690	4.1
139.99387	3.0
141.07008	4.6
142.07793	12.3
143.08565	18.7
144.09328	4.3
145.02824	9.1
145.04979	26.8
145.10139	75.0
146.03177	6.0
147.02930	3.5
147.04387	11.6
147.11697	20.8
148.04817	6.5
149.06013	3.0
149.09660	3.2
149.13245	3.2
155.08522	7.6
156.09346	9.7
157.10144	31.7
159.02921	26.8
159.11702	50.7
163.03915	69.7
164.04280	36.9
165.04395	19.3
169.10123	7.0
171.11670	29.2
172.04845	2.5
173.13263	20.2
175.03935	7.0
176.04211	7.2
177.05467	7.6
178.05858	3.5
179.06020	5.4
181.10109	3.2
183.11647	10.9
185.13229	21.0
187.04004	4.4
187.14821	12.4
189.12735	4.8
195.11691	3.8
199.03793	4.4
199.14835	12.8
200.04231	4.0
201.12801	4.4
201.16393	16.8
203.03502	5.1
204.03719	4.0
205.04988	11.7
206.05281	8.6
207.05476	7.6
213.03928	4.9
213.16310	3.4
215.18129	2.9
225.16431	7.0
227.03423	7.0
227.17947	58.9
228.03731	4.7
229.19519	18.2
231.04898	13.1
243.17435	9.3
245.04501	13.2
245.19037	80.9
246.04724	14.6
247.05019	16.0
251.17908	5.4
255.17603	4.5
257.18997	9.8
269.19003	2.9
287.20071	4.1
289.06012	3.8
298.67126	2.8
325.09497	2.8
359.08679	2.7
380.08530	4.6
381.08911	13.7
382.09894	6.9
383.10455	18.8
405.08862	4.5
407.24121	4.2
408.71313	3.0
409.08176	10.9
433.08124	14.7
451.09180	10.8
457.07977	4.4
457.22714	5.2
475.09207	19.2
475.23596	7.7
493.09952	9.4
493.24252	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	17.6
55.01883	16.1
55.05512	8.8
57.03417	10.6
58.46306	3.0
61.02921	11.3
65.03934	2.8
67.05505	11.5
68.99792	5.1
69.03434	52.7
69.07064	8.3
70.23467	3.2
70.79768	8.7
71.01356	2.8
71.04995	9.7
73.02928	15.8
79.05499	20.6
81.03425	75.8
81.07056	18.3
83.08589	4.1
85.02911	95.4
85.06538	5.1
87.00842	45.4
91.03957	6.2
91.05481	27.9
93.07053	27.2
95.05000	6.3
95.08619	37.8
97.02901	39.2
97.06516	5.9
99.04466	25.1
103.03872	3.2
103.05479	2.8
105.01877	27.9
105.07043	38.3
107.08579	27.0
109.02884	57.0
109.10149	9.6
111.08121	5.5
115.03949	4.9
117.01875	7.4
117.07032	6.8
119.08595	25.9
121.10153	24.4
122.09653	3.6
127.03918	95.6
128.06181	3.2
129.01845	6.0
129.06992	8.4
130.07838	3.6
131.08585	31.2
133.10136	24.4
135.08133	3.1
135.11670	5.1
137.05963	13.6
137.09663	3.6
141.06911	2.8
142.07771	4.4
142.52637	2.7
143.08560	17.5
144.09372	3.5
145.04988	32.1
145.06137	4.3
145.06432	3.6
145.10133	100.0
145.43890	3.1
146.10510	2.6
147.02898	8.8
147.08112	2.7
147.11688	8.1
149.09624	3.4
151.11192	4.7
155.08575	4.7
156.09302	5.2
157.10136	36.5
159.02882	42.9
159.08006	3.8
159.11682	39.3
161.06004	6.8
163.03851	3.7
169.10146	7.0
170.10785	4.5
171.11713	31.7
173.06128	3.9
173.13272	6.0
175.11194	3.5
183.11710	9.3
185.13258	17.0
187.14877	3.1
189.12860	3.3
197.13242	6.7
199.14838	12.3
201.16360	13.5
201.55457	2.8
209.08049	4.1
212.15555	3.0
213.16333	3.6
219.72125	2.8
227.17967	74.9
229.19545	13.7
231.05051	16.9
243.17442	8.7
244.09692	7.0
245.09895	8.9
245.19019	80.5
257.19073	3.7
282.71436	3.3
287.19974	4.2
307.12241	3.1
335.20273	3.2
339.15903	3.7
353.21182	5.3
357.17032	4.6
383.14911	6.4
389.19510	3.8
457.22202	5.5
475.23346	8.0
493.17047	6.6
493.24234	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	492.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38297	4.3
55.05510	9.1
57.07076	10.2
67.05505	22.0
69.07085	24.8
69.39664	39.2
72.24126	4.7
73.19154	4.3
79.05502	12.5
81.07056	57.0
83.08621	15.1
84.90975	5.3
91.05489	8.8
93.07052	22.4
95.08617	83.4
96.06284	4.8
97.06536	7.4
97.10162	10.0
105.07035	28.1
107.08597	51.1
109.10162	40.1
119.08579	27.7
121.10155	51.3
123.11708	25.4
131.08530	4.9
133.10168	38.8
135.11687	39.1
137.13298	34.1
139.11221	6.1
145.10118	7.7
147.11662	35.0
149.13268	40.8
158.68497	4.8
159.11687	14.7
161.13292	21.4
163.14833	67.5
167.14317	8.1
173.13252	8.0
174.44469	4.8
175.14833	37.1
177.16371	16.7
187.14738	8.6
189.16399	10.1
191.17946	93.4
193.12102	4.7
201.16435	11.2
203.17967	6.8
205.19586	6.4
215.18126	6.6
217.19562	14.8
229.19360	5.4
231.21191	11.8
233.91107	5.3
235.20541	9.1
255.21120	17.9
257.22556	7.0
259.20538	6.2
269.22739	12.1
271.24255	61.1
393.35196	79.5
411.36423	100.0
439.35742	13.0
457.36435	14.5
492.29980	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	493.1317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	1.2
55.05479	0.9
62.25633	0.8
67.05492	2.1
69.03426	1.4
69.07056	0.9
71.35407	0.7
71.49007	0.9
79.05482	1.8
81.03403	2.4
81.07050	2.9
85.02892	3.2
89.03939	0.8
91.05468	3.4
93.07047	3.1
93.33355	0.7
95.08597	2.4
97.02888	1.2
97.06503	1.0
98.35000	0.9
105.07026	2.9
107.04945	1.7
107.08594	1.9
109.02905	1.4
109.10153	1.4
115.27198	0.7
117.06986	1.5
119.08580	1.4
121.06512	2.3
121.10149	1.2
122.03644	2.3
122.30333	0.9
123.11695	1.1
127.03886	2.5
131.08562	1.2
135.08066	2.0
137.05023	1.4
137.05977	16.5
143.08636	0.9
145.10138	2.1
147.11700	1.0
149.05939	1.2
151.03886	1.3
151.07610	1.2
157.10045	0.8
159.11671	1.5
161.05963	3.8
163.07567	3.8
165.09108	1.2
171.00523	3.4
171.11664	1.0
173.05878	1.0
175.07536	0.8
177.05562	0.8
179.07071	1.4
185.13467	0.9
189.01631	1.3
191.07039	2.8
201.16353	1.5
203.06967	1.8
209.06160	0.6
209.08086	11.9
211.07487	0.9
227.17969	2.0
234.06880	0.9
237.09187	2.4
239.06889	0.7
245.07866	100.0
245.19005	1.2
246.08153	1.3
249.09099	1.6
265.08624	4.0
269.08038	1.4
271.04254	24.9
277.08499	1.6
283.09695	3.3
284.10498	0.8
286.10443	1.3
297.11316	3.7
309.11319	1.8
319.09644	1.2
331.12006	1.0
351.12360	3.0
369.13181	1.0
431.26093	0.9
433.16693	2.0
449.14261	6.2
456.45505	1.0
475.17371	1.5
493.13168	34.0
493.19128	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.7
55.05510	4.5
57.07063	2.1
57.67395	1.3
59.04981	1.7
61.02925	3.0
67.05509	15.4
69.03436	3.1
69.07066	5.2
71.04984	3.8
71.49629	1.5
71.50012	1.6
76.13953	1.5
78.79653	1.4
79.05479	6.1
79.59955	1.3
81.03407	3.4
81.06599	2.7
81.07063	48.6
83.04955	2.0
83.08599	4.1
83.36222	1.5
85.02901	8.0
85.06546	1.7
91.05467	5.8
93.07040	21.9
95.04979	3.9
95.08607	23.5
97.02883	3.0
97.06543	3.3
97.10178	2.2
99.04505	1.3
105.07021	5.0
107.08589	12.5
109.09497	1.9
109.10175	27.8
111.08065	2.2
113.09633	2.7
119.08568	5.9
121.10150	17.3
123.11712	100.0
125.09631	1.8
131.08524	2.6
133.10144	9.2
135.11719	7.0
137.05991	2.1
137.09625	2.0
137.13257	2.2
139.11188	6.1
146.05904	1.6
147.06784	5.1
147.11694	3.3
148.07471	1.6
149.13318	8.2
151.11147	4.4
161.13243	7.2
162.63513	1.3
163.14757	1.4
169.12236	1.4
175.14793	4.3
176.07100	6.6
176.10664	10.5
177.07872	2.0
187.13332	15.8
203.12787	2.6
204.10208	5.3
205.10973	4.1
231.21091	40.3
248.12891	2.3
249.22160	80.6
259.20572	3.0
267.23199	7.2
277.21609	8.0
295.22720	33.3
301.73965	1.5
301.77411	1.3
313.23724	3.1
386.23199	3.8
401.21832	1.6
430.25916	67.6
474.28430	12.9
492.28900	4.1
496.82709	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	7.4
55.01876	8.3
55.05504	13.1
57.03450	4.9
57.07085	10.6
63.46467	4.2
67.05506	18.1
69.03419	18.6
69.07063	8.9
71.10686	5.9
71.11021	6.7
73.02900	7.1
75.04493	4.9
79.05497	71.5
81.03399	17.3
81.07065	30.5
83.04971	5.5
83.67222	4.4
85.02899	31.3
87.00848	10.8
91.05497	25.1
93.07047	77.1
95.04982	5.3
95.08599	23.0
96.08929	5.9
96.87807	4.0
97.02908	13.4
97.06543	10.7
97.10191	6.9
99.04401	5.3
105.01916	7.3
105.07037	12.3
107.04985	6.9
107.08588	43.7
108.08946	5.0
109.02861	14.6
109.10171	10.7
114.32907	5.3
115.09831	4.7
117.06995	7.7
119.08573	8.7
121.10130	17.3
127.03917	13.8
129.06940	5.5
131.08539	11.8
133.10114	17.9
135.07991	6.0
135.11691	97.5
137.06015	7.1
137.09546	5.9
139.07553	11.6
145.43578	5.3
147.11731	8.8
149.13264	56.2
153.09116	6.7
159.02937	7.7
159.11658	8.3
165.09105	26.1
166.09424	10.4
167.10829	5.4
175.14870	5.0
176.07019	5.0
177.12737	35.4
209.15375	100.0
220.14218	4.7
227.16461	27.2
430.25949	42.6
474.28152	6.2
492.15829	7.3
492.31534	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	492.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.2
53.03944	0.3
54.66623	0.2
55.05507	0.5
57.03422	0.2
57.07069	0.2
60.09097	0.2
65.03928	0.4
67.05495	1.1
69.07068	0.3
69.13541	0.6
69.13969	1.2
77.03886	0.2
78.04714	0.2
79.05521	1.2
81.07063	1.1
83.08625	0.3
89.97671	0.2
91.05488	8.0
93.07034	1.1
95.08630	0.8
96.08099	0.4
97.06531	0.2
98.98480	1.0
103.05503	1.1
104.06258	1.1
105.07049	0.9
107.04911	0.2
107.08614	0.2
109.10153	0.3
115.05462	0.4
117.07024	2.7
119.08588	100.0
120.08906	1.1
121.10154	0.4
131.08601	0.3
137.05963	0.2
145.10141	0.2
147.11685	0.5
155.01070	1.1
155.08571	0.2
156.01357	0.2
157.10097	0.2
159.08076	0.8
159.11743	0.2
169.10126	0.2
183.11780	0.2
184.07593	0.3
211.14819	0.3
214.08719	0.3
216.10257	0.8
224.02779	0.2
228.10190	1.0
239.14418	0.2
244.13358	0.4
256.13449	0.3
264.24136	0.3
270.15009	0.5
282.14920	1.4
298.14813	0.2
298.18063	0.6
302.17484	0.9
310.18155	0.2
314.17502	2.5
314.20883	0.2
328.19241	0.5
330.20676	1.5
338.27768	1.4
342.20578	1.5
386.21179	0.2
388.22818	0.5
391.40356	0.2
396.57950	0.2
406.22443	0.3
416.25998	0.4
418.23532	0.3
420.25369	17.9
421.25824	0.5
444.54617	0.2
448.28519	13.2
449.28543	0.3
474.26865	0.3
492.27460	2.5
492.34576	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	1.1
66.56951	0.3
67.05509	3.7
69.03388	0.3
69.07059	0.7
75.73750	0.2
79.05498	1.0
81.07052	3.2
83.04962	0.5
83.08637	0.3
85.06544	0.5
91.05458	1.4
93.07065	1.6
95.04974	0.3
95.08611	3.6
97.02899	0.3
97.06519	0.3
99.08094	0.6
105.07032	0.8
107.05001	0.3
107.08582	1.5
109.06512	0.6
109.10161	4.8
113.06004	0.6
113.09618	0.5
117.07009	0.4
119.08574	3.2
121.06464	0.3
121.10168	0.5
122.07317	2.0
123.08045	0.7
123.11723	0.4
131.08624	0.3
133.10165	0.5
135.08051	0.4
135.11687	0.7
137.09621	11.7
137.13245	1.2
141.09087	1.0
147.08047	0.3
147.11678	0.5
149.09625	0.9
149.13261	0.5
151.07523	0.9
151.11275	0.3
159.11690	0.3
161.13307	0.5
163.11205	0.4
165.09117	100.0
166.09433	1.6
173.09637	0.3
187.09564	0.4
189.12735	0.5
203.14262	0.3
204.70877	0.3
239.16399	0.3
257.17642	0.4
288.05392	0.3
308.43887	0.3
321.24289	0.8
339.25317	2.4
455.16055	0.3
473.32706	0.7
491.32327	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.9
54.89727	0.9
55.01871	3.3
55.05511	2.5
57.03434	2.1
57.07077	5.3
61.02920	1.4
67.05502	5.4
68.99799	1.2
69.03430	11.6
69.07072	4.6
70.63476	3.3
70.86469	0.9
73.02930	1.3
75.04489	4.0
75.15114	1.1
79.05498	41.2
81.03432	8.2
81.07068	9.0
85.02911	23.0
87.00835	11.7
91.05500	7.1
93.07048	48.7
95.04971	1.0
95.08616	3.6
96.07793	1.0
97.02908	7.9
98.52785	1.0
99.04463	3.8
105.01875	10.4
105.07024	1.7
107.08601	24.8
109.02905	8.1
110.02127	1.0
117.01873	1.0
117.07014	2.7
119.08572	2.4
120.08139	2.3
120.55800	0.9
121.10175	3.7
127.03939	11.1
131.08580	1.0
133.10127	8.5
135.08066	2.0
135.11699	87.1
136.12097	1.9
137.05939	1.2
139.07527	9.1
145.04967	3.3
149.13266	39.7
153.09132	3.6
159.02910	2.8
159.11737	4.8
160.11823	1.0
166.08554	1.1
177.11243	1.7
177.12759	30.7
177.14288	1.9
209.15378	100.0
210.15750	1.7
227.16441	7.4
231.05074	1.3
327.12396	1.2
443.87567	1.2
479.35220	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21427	0.3
53.03935	0.6
55.01866	0.4
55.05508	1.2
55.48131	0.3
56.68465	0.2
65.03922	0.4
67.05515	4.7
69.03421	0.4
69.07066	0.9
70.00351	1.0
71.04983	0.4
79.05508	1.4
81.03413	0.5
81.07062	4.1
83.04978	0.9
83.08603	0.8
85.02918	0.6
85.06544	0.6
91.05499	1.5
92.64676	0.3
93.07059	1.5
95.04952	0.8
95.08608	3.7
97.06541	0.5
97.10166	0.3
99.04458	0.4
99.08072	0.4
101.05989	0.4
103.01071	0.3
105.06998	1.1
107.04942	0.6
107.08602	1.6
109.06504	0.6
109.10160	5.4
111.04482	0.3
113.06055	0.4
113.09619	0.4
117.07020	0.5
119.08595	4.0
121.06477	0.6
121.10156	0.9
122.07289	2.1
123.08045	0.8
123.11729	0.9
127.03949	0.5
131.08543	0.6
133.10117	0.7
135.08012	0.3
135.11696	0.9
137.05986	0.3
137.09627	12.6
137.13251	1.3
141.09076	0.9
143.08611	0.4
145.10120	1.1
146.48776	0.3
147.11697	0.7
149.09610	0.8
149.13261	0.8
151.07600	0.7
157.10100	0.4
159.11650	0.5
161.13187	0.7
163.03914	0.4
163.07565	0.4
163.11169	0.7
163.14937	0.3
165.09119	100.0
166.09433	1.2
169.10164	0.3
171.11725	0.3
173.09544	0.4
173.13313	0.4
175.11168	0.4
175.14717	0.3
177.12703	0.3
177.16525	0.3
183.11726	0.3
187.09674	0.4
187.14879	0.4
189.12802	0.6
197.13213	0.3
203.14293	0.4
228.57741	0.3
232.96721	0.3
293.24789	0.5
303.23166	0.3
321.24310	0.9
339.25385	1.9
491.26596	0.4
491.32944	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78518	0.5
55.01865	0.9
55.05518	3.2
57.03434	1.4
57.07062	0.9
57.33580	0.4
58.06604	0.5
59.04992	1.2
66.35167	0.5
67.05508	4.2
69.07079	3.2
69.93518	1.8
79.05503	3.0
81.07059	5.4
83.04956	0.6
83.08610	2.0
89.03923	4.9
89.06047	1.2
91.05471	2.3
93.07053	3.7
95.04926	0.7
95.08636	3.6
96.80502	0.5
97.06516	0.9
97.10159	1.0
98.98468	1.0
105.07041	5.5
107.04951	1.9
107.08588	1.8
109.06536	0.6
109.10147	1.5
111.08130	0.6
117.03373	7.2
117.06980	0.7
119.08558	2.2
121.06481	1.0
121.10154	1.9
123.08027	0.8
123.11682	0.8
129.06993	0.6
131.08557	1.3
133.10129	1.3
135.04419	12.5
135.11661	1.1
143.08505	0.6
145.02858	12.2
145.10126	0.9
147.08078	0.6
147.11725	0.9
155.01033	0.9
157.10103	1.3
159.11700	0.9
161.13284	0.6
163.03914	100.0
163.78387	0.5
164.04253	0.7
165.09186	0.7
165.77690	0.5
169.10149	0.7
181.04991	1.9
184.07307	1.5
187.14845	0.8
201.11224	0.6
337.27353	0.9
399.28845	0.8
405.22021	0.7
460.30524	0.6
491.28580	4.2
491.36325	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	491.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.6
56.22128	0.5
63.02383	1.0
67.05466	0.6
67.92919	0.5
68.99797	17.2
69.62731	1.8
69.63154	1.9
79.05494	0.9
81.03418	1.3
89.03917	7.8
91.05473	1.4
95.04947	0.8
98.21473	0.6
103.05469	1.8
105.91225	0.6
107.01304	0.9
107.04974	3.4
111.00784	3.4
115.05457	2.4
117.03391	10.6
119.04960	1.3
119.08507	0.7
123.04427	8.1
129.03383	0.8
131.04941	10.0
133.06461	0.8
135.04419	18.9
135.57436	0.6
137.02353	16.6
137.05959	1.9
139.05475	0.9
143.04936	1.5
145.02856	15.2
145.04004	0.9
146.03519	0.6
147.04416	17.6
149.02348	0.6
149.05981	1.5
157.02837	1.1
159.04430	5.0
161.06004	2.0
163.03915	100.0
164.04298	0.9
171.04440	5.4
173.05992	1.1
175.03911	13.9
176.04721	1.0
177.05472	17.8
185.02446	1.1
185.06009	1.8
187.03864	7.7
189.05516	4.7
191.03462	1.3
195.04486	1.1
197.05975	3.2
199.03923	7.7
201.05382	1.2
203.03395	13.7
205.04970	23.5
213.05373	4.5
213.07231	0.5
215.03403	1.6
215.06932	0.7
217.04951	1.7
221.04439	0.7
225.05531	1.3
227.03407	15.2
229.04938	1.0
231.06570	2.1
241.04926	2.7
243.02917	0.7
243.06342	0.9
245.04471	40.1
249.09151	0.9
259.07968	1.1
261.03909	1.4
261.08997	0.8
269.04507	4.6
271.02405	4.5
271.05762	0.8
271.07858	0.7
277.08649	1.7
287.05249	7.9
289.08749	1.1
299.07184	0.9
301.08347	0.7
305.08194	3.1
309.07599	1.1
313.03375	2.9
315.06586	4.1
323.09277	3.7
329.07849	0.9
333.07520	1.6
339.06665	0.8
343.05923	1.5
351.08722	6.1
357.07587	2.0
361.07101	2.0
367.06207	0.9
377.10239	0.8
379.08170	16.9
381.09793	30.9
385.07193	2.3
387.08704	0.7
399.08777	1.1
403.08228	2.8
405.09784	3.6
407.07584	13.6
409.07108	0.8
413.06558	2.3
417.09305	0.7
427.08127	1.9
431.07611	15.0
437.06744	0.9
445.09116	2.8
449.08759	15.5
455.07690	4.4
473.08746	20.5
491.09756	8.6
516.63452	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.9
58.01571	0.4
63.02368	0.6
68.99792	14.8
69.40747	0.9
69.41153	2.2
69.89470	0.5
74.80854	0.4
77.39642	0.4
78.07970	0.4
79.05494	1.7
81.03411	1.3
81.07056	1.0
89.03917	7.4
91.05480	2.0
93.07021	0.7
95.08564	0.9
103.05475	2.4
107.01368	0.5
107.04960	4.1
107.08638	0.5
109.10132	0.6
111.00817	2.8
115.05449	1.5
117.03382	9.8
119.04932	0.8
121.06533	0.8
121.10146	0.5
123.04430	8.4
129.03365	0.5
131.04941	9.3
135.04419	20.6
137.02353	17.5
137.03418	1.1
137.06000	1.3
139.05481	0.6
143.04901	1.8
145.02852	15.2
145.03999	0.8
147.04411	19.1
149.02345	0.6
149.06032	2.6
157.02863	1.2
157.06482	0.5
159.04402	5.0
161.05997	1.9
163.03906	100.0
164.04262	1.2
165.09123	2.1
167.04913	0.7
169.06497	1.2
171.04410	6.3
173.02368	0.7
173.05988	1.3
175.02339	0.7
175.03906	15.1
177.05472	19.4
181.06470	0.6
185.02364	1.1
185.05948	1.3
187.03783	6.0
187.05338	0.9
189.05487	4.4
191.03386	2.0
195.04405	0.8
197.02267	0.5
197.05908	2.6
199.03886	8.8
201.05508	1.3
203.03404	12.8
203.08382	0.5
205.04965	23.4
210.08492	0.6
213.05444	5.1
215.03471	2.2
215.06915	1.0
217.04951	2.0
225.05492	1.0
225.18364	0.6
227.03416	12.2
227.06871	0.6
229.04982	0.9
231.06194	2.6
231.08432	0.8
233.04472	0.7
241.04819	2.9
243.02934	0.5
243.06238	0.9
243.08368	0.9
245.04460	36.9
246.04678	0.6
253.01369	0.5
253.04964	0.7
259.06009	1.5
261.03873	1.0
261.09204	0.9
263.07065	1.1
267.41861	0.5
269.04419	4.5
271.02420	5.3
271.05569	0.9
271.07892	0.6
277.08542	1.6
281.04279	0.9
281.07956	0.6
285.04001	0.7
287.05209	6.7
289.08575	1.0
295.02414	0.6
299.07080	0.8
305.08063	2.6
309.07559	0.9
311.06882	0.5
313.03534	2.2
315.06586	3.5
317.08047	1.0
323.09180	3.7
329.08002	1.2
333.07578	1.0
339.06619	0.9
343.06027	1.7
351.04822	0.9
351.08679	6.2
357.07654	2.0
361.07251	1.6
367.05820	0.6
369.06631	0.6
377.10147	0.7
379.08105	15.9
381.09735	32.4
382.09784	0.8
385.07147	1.9
403.08133	2.2
405.09692	2.8
407.07632	15.8
409.07355	0.6
413.06738	2.1
421.09290	0.5
427.07925	1.3
427.72745	0.5
431.07629	9.5
437.06116	0.8
445.09293	2.2
449.08618	9.6
455.07706	3.1
473.08658	12.3
491.09604	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	490.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.2
55.01889	3.8
55.05505	11.0
57.07083	18.8
58.95203	3.0
59.04999	4.4
67.05516	27.0
69.07068	12.8
69.32937	29.8
71.08633	10.8
72.08973	4.1
79.05479	11.5
81.03426	36.5
81.07062	33.1
82.03751	9.9
83.04993	4.5
83.08614	15.1
85.10168	4.2
91.05505	16.7
93.07047	26.5
95.04980	6.7
95.08617	40.6
95.80014	3.1
97.06493	4.3
97.10207	5.9
99.08068	3.4
105.07054	17.0
107.08579	27.6
109.10169	28.0
111.08061	4.4
112.51250	3.6
117.07019	6.6
119.08606	23.4
121.10179	21.9
122.64557	3.8
123.08096	22.2
123.11721	16.7
131.08546	8.8
133.06541	3.9
133.10135	21.7
135.08083	4.2
135.11690	17.7
137.09612	6.7
137.13268	15.1
143.08603	4.7
145.10110	11.5
147.11688	12.5
149.09668	8.3
149.13268	16.3
157.10168	7.3
159.11729	4.4
161.13281	9.1
163.11172	8.0
163.14792	4.1
165.12744	5.0
167.14352	5.6
173.13248	6.3
175.14891	11.4
177.09068	6.5
177.16351	9.0
181.12262	10.5
187.14906	4.1
191.17981	40.1
193.15845	7.5
211.16957	24.1
229.19539	5.6
230.47543	3.2
231.17596	7.6
231.21057	3.2
238.15039	3.5
247.20554	9.2
249.18697	8.0
273.18536	6.4
275.23901	6.8
314.27686	6.7
337.21646	5.0
352.23987	13.5
354.87134	3.2
427.35913	7.0
437.33893	3.7
441.37299	100.0
455.34836	4.9
459.38422	25.1
473.36066	5.3
490.35870	21.2
490.42587	31.2
491.29730	17.4
491.37021	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	490.4258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	12.1
57.07084	26.4
67.05511	24.3
69.07085	25.4
71.04994	6.6
71.08633	15.1
71.49226	4.0
71.49654	5.0
79.05492	12.1
80.66447	3.5
81.07069	40.0
83.08624	14.4
91.05511	14.0
93.07053	25.1
95.08617	92.0
97.10186	4.3
99.08105	5.2
105.07036	13.6
107.08606	27.5
109.10178	51.1
110.29729	3.6
111.11688	4.8
117.07080	6.1
118.03246	28.9
119.08568	17.8
121.10167	29.2
123.11716	35.1
126.70538	4.7
127.11182	6.5
133.10156	11.0
135.08063	5.1
135.11690	24.7
137.13254	18.8
145.10164	6.9
147.11717	7.9
149.13275	19.5
149.46768	4.4
159.11748	9.6
161.13268	5.0
163.14853	18.8
171.11749	5.3
173.13306	4.8
175.14803	8.6
177.16432	11.2
183.17444	34.6
187.15012	4.9
189.16437	6.7
191.17978	43.4
201.16386	6.0
203.58859	4.5
217.19643	4.6
219.17633	5.0
267.46124	4.1
299.79871	4.3
423.36099	10.3
427.35403	8.7
441.37320	100.0
455.53589	4.5
459.38422	39.7
490.42252	9.3
491.30014	8.8
491.37366	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.4257
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.4
55.01874	4.1
55.05507	7.6
57.07076	13.6
59.05003	6.8
61.35595	2.3
61.53992	2.4
67.05505	16.9
69.07054	10.5
69.94377	10.9
71.05043	2.6
71.08628	8.3
79.05521	11.7
81.03425	34.3
81.07056	21.8
82.03752	4.0
83.04989	3.3
83.08635	12.6
83.09058	2.6
85.10191	3.3
91.05504	11.6
93.07062	17.2
94.71098	2.9
95.04977	3.8
95.08621	33.8
96.08937	2.8
96.34473	2.6
97.10195	3.7
105.07037	15.4
107.05006	2.6
107.08604	18.4
109.10159	24.8
111.08079	4.6
117.07044	3.8
119.08578	12.2
121.10155	17.6
123.08055	20.9
123.11692	10.7
131.08546	5.9
133.06433	3.1
133.10187	12.5
135.11702	16.5
137.09616	5.0
137.13251	5.9
145.10109	7.1
147.07999	2.7
147.11673	8.3
149.09647	6.0
149.13257	11.2
155.10605	2.7
157.10214	5.9
159.08124	2.6
159.11752	4.9
161.13249	3.5
163.11203	8.4
163.14798	6.1
165.12712	4.4
167.14381	3.1
171.11739	4.1
173.13197	6.3
175.11182	2.9
175.14771	6.0
177.09125	5.3
177.16373	9.3
178.09486	3.0
181.12268	9.9
189.16452	3.7
191.17958	32.2
193.15900	4.0
204.14943	2.5
211.16937	20.8
213.36435	2.3
217.19574	5.7
229.19507	3.0
231.17413	5.6
231.21065	6.5
247.20560	5.8
249.18553	6.2
267.19644	5.3
273.18561	6.6
275.23700	5.5
313.27344	3.8
314.27893	3.7
337.21445	3.3
352.23880	7.5
371.29431	2.9
423.36386	2.9
427.35904	4.5
441.37286	100.0
455.35443	4.5
459.38382	25.7
473.36078	3.9
490.35849	16.7
490.42548	23.6
491.29547	11.4
491.36469	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.5
55.05512	11.4
61.77822	2.3
71.04932	2.5
71.48816	3.8
73.06536	8.0
73.63186	2.1
79.05492	2.8
85.02921	2.9
89.06023	2.1
90.21183	2.5
97.06512	4.8
97.53488	2.2
107.04996	3.1
121.02821	2.8
131.08545	3.2
137.05960	7.0
149.02351	100.0
161.05905	2.6
175.07570	9.3
203.07103	13.8
221.08154	5.5
248.09863	2.6
275.12793	8.4
293.13882	36.8
474.93677	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	490.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71412	0.9
55.01874	2.8
59.04999	5.0
69.03444	1.9
69.63450	1.7
69.63856	3.7
70.06602	1.6
73.02911	3.7
73.06570	1.4
73.73911	0.9
77.06057	1.7
82.21028	1.0
85.02905	4.7
87.04475	30.2
89.06032	69.5
89.79904	0.9
91.05476	3.4
93.06993	1.0
96.88441	1.1
97.02895	1.5
97.06525	1.5
103.03945	100.0
103.07568	2.8
105.06981	1.4
107.04965	1.3
107.07076	2.3
109.02859	1.1
117.09193	1.3
119.07064	2.1
119.08583	2.4
121.08605	1.2
123.04408	2.0
123.11707	1.8
127.03880	1.2
131.07053	7.8
133.08609	51.7
137.05977	3.4
145.10085	1.1
147.06538	10.0
147.11691	2.4
163.03923	1.3
163.09688	3.3
175.07538	2.3
175.09657	5.5
176.10637	1.0
177.11218	15.9
187.07507	1.3
188.10674	1.0
189.12733	11.9
191.09091	5.5
207.10329	1.7
207.12247	2.6
207.13855	4.0
219.12334	2.6
221.13843	4.0
235.11839	6.1
241.08722	1.1
264.71976	1.0
278.09421	2.9
279.05380	1.1
293.11670	1.2
312.12173	4.6
323.16873	1.5
337.09607	1.5
353.13962	2.1
356.15048	3.9
366.13382	16.4
371.22498	1.0
374.16135	1.2
384.14539	2.3
397.12833	3.4
410.15927	1.6
414.15176	1.3
428.16824	6.3
441.15411	1.1
446.18146	4.9
446.46460	1.0
472.15976	1.1
473.25897	8.8
490.17230	3.1
506.45538	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	12.5
55.02126	2.0
57.03440	3.6
59.05003	1.3
59.20510	1.3
60.93657	1.3
67.05489	2.7
69.03440	2.6
69.07068	27.1
70.62047	4.0
73.02924	24.9
79.05492	8.2
81.07046	1.7
91.05492	2.3
97.06533	47.2
99.85858	1.3
105.05279	1.3
109.49875	1.2
111.08101	3.8
117.07005	4.4
123.04438	4.0
123.08076	3.0
127.03967	1.5
129.07014	2.9
129.09152	4.6
131.08618	1.5
135.03394	1.3
135.04443	1.5
136.05208	3.7
137.06000	3.5
139.03888	2.7
143.08646	1.7
145.06519	4.6
148.07568	3.1
150.05527	1.6
155.08522	1.7
161.06007	2.7
163.07542	2.1
168.05695	2.3
170.07265	2.3
171.08052	3.7
173.06044	2.0
175.07555	3.3
176.07051	2.1
176.10712	2.1
181.06458	2.8
183.08057	3.7
195.08128	2.6
196.05174	7.2
197.06009	4.9
199.07536	10.4
205.10942	2.1
210.06772	6.9
211.07562	6.8
219.10199	3.4
223.07472	2.2
225.05519	20.7
225.09071	20.8
226.06241	40.3
227.06964	10.6
237.09154	3.3
239.07051	11.1
241.08514	8.4
251.10681	2.7
253.12383	6.6
262.14175	1.7
267.12363	2.3
279.10187	1.5
281.11746	42.5
293.11804	3.7
297.11237	4.6
307.13275	3.0
315.05246	3.2
322.11990	100.0
323.12299	3.1
325.14688	2.2
337.14383	51.0
338.14560	2.0
339.15997	7.4
351.15891	2.0
353.13846	12.9
354.14612	55.4
369.16986	87.4
370.16769	7.3
397.12119	2.9
397.16751	13.5
404.87622	1.6
411.18234	2.5
414.15228	11.4
428.20703	26.9
429.19128	60.3
430.19705	2.8
441.15463	22.0
446.22067	6.4
451.63470	1.4
455.16699	2.0
458.18259	12.0
472.19724	13.8
473.18091	70.2
474.18396	3.6
490.08029	2.1
490.20801	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.3
55.99511	2.4
61.38020	2.3
69.03422	4.9
71.18214	4.1
73.02927	2.7
76.02213	2.7
79.05503	4.7
81.03436	5.1
81.07049	6.9
81.82417	2.2
84.08157	2.4
85.02908	25.1
87.00834	5.0
91.05466	4.5
93.07050	3.6
95.08636	3.3
97.02881	4.6
97.06569	4.4
99.04479	3.1
103.03920	2.1
105.01109	2.5
105.07011	13.3
107.08602	5.1
109.02873	2.7
109.10173	2.6
119.08567	15.9
121.80364	2.3
122.10659	2.2
123.08109	2.9
123.11703	18.5
125.05939	2.4
127.03952	4.7
127.62881	2.3
131.08621	2.4
133.02867	2.7
133.06514	3.7
137.05980	5.6
145.10124	18.1
147.11696	27.2
156.09367	4.2
159.08043	2.8
171.11633	4.2
174.10350	3.4
175.34131	2.4
189.12744	100.0
194.43614	2.4
207.13861	19.6
213.87596	2.7
225.14844	8.5
366.13330	3.9
428.16885	3.7
446.18045	3.8
490.17035	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	490.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	10.6
55.01875	12.3
55.05501	2.7
57.03425	6.9
60.04536	2.9
61.02918	3.9
67.05510	16.5
68.99786	5.2
69.03433	17.9
69.07066	2.6
71.04991	13.2
71.48870	4.3
73.02921	5.2
75.96486	2.7
79.05498	12.1
81.03413	23.0
81.07062	8.5
85.02438	3.8
85.02912	40.1
85.06551	2.9
87.00819	19.1
91.05485	29.6
92.05907	2.4
93.07044	7.7
95.04955	11.7
95.08597	6.6
97.02896	29.6
97.06510	8.4
99.04433	6.8
100.11250	2.4
103.62146	2.6
105.01855	11.5
105.03402	19.6
105.07045	22.6
107.04966	67.7
107.08608	3.7
108.04464	2.6
109.02914	17.0
109.06526	3.1
109.10152	3.1
117.01854	3.7
117.07011	15.1
119.04939	5.4
119.08588	14.1
121.02863	5.6
121.06527	3.0
122.09691	3.2
123.04436	5.8
127.03925	29.0
128.06235	4.6
129.07059	4.2
131.04926	3.9
131.08554	4.8
133.06462	8.2
133.10120	23.3
135.04446	5.2
135.22302	2.4
137.02371	3.0
137.05971	28.4
137.09660	3.4
138.06316	8.0
143.08527	12.3
145.04953	14.0
145.06482	17.7
147.04471	4.6
147.08040	6.3
149.02325	4.3
154.08594	4.2
159.02872	8.6
161.09625	100.0
162.10052	3.4
163.03888	17.1
163.11163	7.9
164.07152	3.8
164.15112	2.8
165.09135	26.5
166.09477	10.3
171.08034	18.3
179.10638	8.1
189.09100	82.1
197.23039	2.4
207.10155	27.2
213.04057	2.7
225.11197	24.2
231.04959	4.8
232.56519	2.8
245.04387	3.9
316.10699	2.8
335.12869	4.8
336.13031	10.0
347.12576	3.2
348.12949	2.6
454.27905	9.1
472.17661	4.2
472.29272	5.1
490.27805	4.2
490.34305	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.1
55.01862	11.2
55.05516	4.6
57.03426	5.0
60.04518	3.2
61.02917	4.9
67.05498	21.6
68.99773	4.9
69.03437	22.2
69.07056	5.6
69.37898	6.8
69.38306	20.3
71.04998	11.5
71.06220	3.6
73.02927	5.9
79.05489	13.1
81.03419	17.5
81.07051	16.9
85.02912	40.0
85.06560	4.3
87.00845	20.1
91.05481	29.6
93.07054	10.4
95.04958	12.7
95.08586	13.7
96.08968	3.2
97.02898	30.0
97.06522	7.3
99.04486	8.5
101.02392	3.2
103.05438	5.1
105.01867	9.4
105.03404	20.3
105.07043	20.3
106.42889	3.1
107.04961	69.9
107.08610	17.1
108.04472	4.0
108.08905	5.2
109.02907	18.9
109.06513	5.5
109.10120	3.7
115.05472	3.8
117.07021	16.6
119.04931	8.8
119.08585	22.4
121.02863	3.5
121.10153	4.2
123.04434	10.0
123.07957	3.2
127.03915	28.6
127.96038	3.5
128.06207	4.1
131.08603	5.8
133.06491	5.0
133.10123	26.2
136.12039	3.8
137.06003	40.8
137.09618	5.6
137.13161	3.9
138.06308	11.2
143.08557	11.7
145.04967	12.7
145.06482	16.2
145.10112	4.6
147.04439	3.9
147.08038	6.3
148.51405	3.2
149.06151	3.2
159.02931	6.9
161.09622	100.0
163.03932	15.5
163.11159	9.4
163.14886	9.6
164.07039	4.5
164.15167	7.1
165.09105	31.2
166.09485	13.3
171.08051	21.0
172.92982	3.0
175.07571	3.3
177.05637	3.5
179.10629	6.3
187.07545	3.4
189.09117	93.6
207.10167	22.1
208.04276	4.1
225.11212	22.7
231.05025	5.3
237.22015	3.8
244.08707	5.6
245.04459	8.7
304.10599	5.9
305.07886	4.0
316.10342	6.6
321.10950	5.0
325.01212	3.4
326.06955	4.4
335.12650	4.7
336.13080	12.6
348.13181	5.5
419.14444	4.2
436.27524	3.7
454.27966	13.8
472.18115	5.9
472.28751	4.3
490.18912	6.7
490.34189	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	490.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55161	2.9
53.03945	8.8
55.01862	11.5
57.03429	6.4
61.02908	4.3
67.05508	16.0
68.99771	6.4
69.03445	15.6
69.96700	15.9
70.06579	3.9
71.04981	8.5
73.02895	7.8
79.05491	11.0
81.03414	23.2
81.07059	6.8
83.04971	7.3
84.04498	3.1
85.02909	39.7
87.00845	22.2
91.05479	26.5
93.07046	8.5
95.04972	11.9
95.08598	5.4
97.02891	35.5
97.06531	4.9
98.21423	5.0
99.04443	8.4
103.05481	3.5
105.01855	12.2
105.03399	31.3
105.07012	16.8
105.23994	2.9
107.04966	83.2
107.08582	3.7
109.02879	18.5
113.06012	3.5
117.07019	15.7
119.04930	5.3
119.08567	11.6
121.02866	6.2
121.10161	5.7
123.04464	7.4
127.03928	26.6
127.94208	3.5
128.06227	4.8
129.07018	4.8
129.98285	3.1
131.08542	4.1
132.51917	3.4
133.06494	7.0
133.10147	27.7
135.04419	4.8
137.05983	29.7
137.09657	4.3
138.06380	4.1
143.08554	11.1
145.02866	3.3
145.04977	14.2
145.06505	14.8
145.10178	4.9
147.04362	6.3
147.08072	3.9
147.11705	3.5
151.07529	7.1
159.02893	10.7
161.09631	100.0
163.03906	17.2
163.11157	7.7
163.14815	5.5
165.09091	17.9
166.09476	13.0
171.08060	16.9
177.05470	4.8
179.10670	9.2
189.09120	97.0
207.10181	19.1
225.11212	21.5
245.04427	7.1
336.13174	9.2
348.13281	7.4
381.09610	4.9
419.14493	4.4
442.42993	3.3
454.27756	6.9
490.33957	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	489.3578
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
57.07069	10.1
67.05515	22.7
69.07096	21.5
70.11847	31.5
79.05502	25.3
81.07053	63.1
91.05485	39.6
93.07050	41.3
95.08605	100.0
105.07036	33.1
106.32494	8.6
107.08606	88.2
108.43507	9.7
109.06564	16.2
109.10147	40.1
119.08578	93.8
121.10174	61.0
131.08583	39.4
131.98740	9.4
133.06506	9.5
133.10153	45.7
135.07993	12.4
135.11696	26.2
140.22435	9.4
143.08565	14.3
145.10141	41.9
147.04521	9.9
147.11694	38.8
149.02380	11.8
149.09615	11.2
149.13261	23.4
157.10196	15.2
159.11705	30.3
161.13301	34.9
163.14845	19.1
171.11717	9.4
173.13249	47.3
175.14836	28.9
177.12735	9.8
177.16388	23.8
183.11691	11.5
184.07390	10.9
187.14806	44.2
189.12881	12.1
189.16467	22.6
191.14343	60.8
199.14830	10.4
201.16327	22.8
203.14450	10.2
203.17943	79.5
205.19481	13.3
221.15332	17.0
242.15959	10.1
261.07257	11.0
271.24182	8.9
407.33017	21.7
425.34088	34.3
453.33691	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.1
55.01860	4.9
55.05515	11.1
57.03423	2.7
57.07074	18.7
67.05505	23.0
69.07071	15.8
69.44611	4.5
69.45029	10.4
71.04995	2.4
71.08627	14.3
77.03946	2.4
79.05501	24.0
81.03418	15.0
81.06597	3.1
81.07057	52.8
82.07397	1.8
83.04979	4.6
83.08622	10.5
85.06519	6.4
85.10170	5.5
91.05479	21.4
93.07045	26.5
95.04932	2.8
95.08606	41.3
97.06534	6.4
97.10170	4.3
105.07037	14.4
107.04951	3.2
107.08594	29.6
109.10152	21.8
111.08056	7.4
113.09649	10.2
115.05503	3.6
117.07021	10.9
119.08578	14.5
121.06494	2.4
121.10153	24.0
123.11707	14.5
125.09625	5.2
129.06955	3.6
131.08553	25.0
133.06459	3.5
133.10112	16.3
135.08063	2.9
135.11700	32.1
136.20633	1.8
137.09561	1.9
137.13277	11.2
139.11195	1.9
139.17216	2.1
145.10097	5.5
147.11700	8.7
149.09641	18.7
149.13246	11.4
153.09128	7.2
159.08043	7.1
159.11713	7.5
161.13266	7.0
162.94492	1.8
163.11214	2.2
163.14815	9.8
173.13269	7.6
175.14828	6.8
177.09117	8.1
177.16467	3.8
181.16023	2.1
184.44144	2.0
187.14825	5.0
189.16377	6.1
191.14311	2.5
191.17957	30.3
194.84055	1.9
201.16397	5.0
205.19533	4.7
209.15331	12.2
215.17828	2.9
217.19504	6.7
219.17403	3.0
222.85599	2.5
229.19455	4.9
231.21014	4.6
247.20639	2.4
257.22672	6.2
265.17975	6.9
271.24341	3.3
293.21130	2.5
313.27365	15.5
367.28494	5.4
369.27783	7.9
393.35199	4.6
411.36182	5.2
427.35410	2.4
439.35712	100.0
440.36032	5.9
448.54532	2.0
457.36823	12.0
471.38757	3.2
489.35745	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03180	4.3
53.03944	9.1
55.01855	4.0
55.05507	19.8
55.73694	4.3
57.07074	4.2
62.00832	3.9
67.05508	25.3
69.07063	20.8
69.84641	20.6
70.96097	4.6
79.05501	33.9
81.07059	59.5
83.04998	4.3
83.08631	14.0
89.50772	4.5
91.05479	26.0
93.07055	48.9
93.09939	5.0
95.04998	8.8
95.08620	70.4
97.06557	21.2
105.07038	64.4
107.08610	73.8
109.06541	6.1
109.10163	38.4
111.08063	9.0
117.06966	5.5
119.08586	92.3
121.10146	99.3
123.08002	5.9
123.11707	15.4
131.08569	11.4
133.10153	57.7
135.08095	5.8
135.11717	42.3
137.09586	4.8
139.07539	4.8
139.11180	4.8
145.10164	19.2
147.11696	40.8
149.09619	9.7
149.13251	13.9
153.09109	5.2
157.10210	6.9
159.11728	22.8
161.13274	84.9
163.14836	5.7
165.09171	15.2
167.10692	18.0
171.11620	6.7
173.13297	18.9
175.11330	5.3
175.14841	100.0
177.16422	42.8
179.10687	5.8
187.14813	8.8
189.16377	37.7
191.17957	5.3
201.16516	5.0
203.17990	44.1
205.15919	9.6
213.16412	9.0
215.17833	4.6
217.15961	5.1
221.15387	22.8
229.19221	4.3
231.17453	24.1
235.16917	22.2
243.21138	5.3
247.16978	4.8
249.18631	15.9
261.85117	4.7
338.42456	4.4
355.15405	8.0
407.33035	12.0
425.34146	81.7
435.32828	10.8
453.33444	12.7
489.29160	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	10.3
55.05519	21.7
55.44779	4.5
57.07077	4.8
64.54656	4.0
67.05508	32.2
69.03458	4.1
69.07066	27.7
71.03355	8.5
71.04993	5.4
79.05502	28.4
81.03420	10.8
81.07061	57.5
83.04963	5.8
83.08616	9.5
85.02942	10.6
91.05480	28.0
91.05968	4.1
93.07040	49.6
95.04990	10.2
95.08615	79.3
97.06521	25.0
97.10162	9.8
99.04433	4.7
103.05450	5.6
105.07040	65.0
107.04971	9.9
107.08601	83.0
109.02895	4.9
109.06518	5.9
109.10172	42.3
111.08104	6.7
117.07014	5.8
119.08588	100.0
121.06536	7.1
121.10155	95.5
123.08043	8.8
123.11713	17.9
127.03903	5.3
131.03427	4.7
131.08612	16.9
132.16812	5.3
133.10143	77.0
135.08066	5.8
135.11725	41.9
137.09566	4.3
145.10133	15.7
147.11688	52.2
149.09615	12.4
149.13268	17.7
153.09073	8.5
157.10127	8.9
159.11740	25.6
161.09660	6.8
161.13268	87.1
163.14812	12.4
165.09131	13.1
167.10651	11.2
171.11755	6.8
173.13293	27.6
175.14847	98.1
177.16385	38.5
185.13283	4.9
187.14903	12.3
189.16367	33.1
191.17998	9.0
199.14815	7.5
201.16423	7.6
203.17969	46.8
205.15973	7.6
207.11845	6.2
207.13733	7.6
209.96045	4.7
213.16406	11.4
217.19635	4.7
221.15370	24.8
223.11337	6.0
229.19576	5.6
231.17430	20.7
235.16966	17.4
243.21115	9.2
249.18607	16.7
257.86295	4.4
270.66202	4.3
407.32990	15.1
410.87036	4.6
423.33340	4.7
425.34241	89.5
435.32578	13.7
453.33633	7.7
471.34781	9.1
489.29013	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3578
Annotation	Cimigenol
Peak:m/z	Relative Intensity
53.03934	3.3
55.01865	4.2
55.05265	1.7
55.05515	18.4
57.03441	6.6
57.07077	5.2
59.04998	1.6
62.34003	1.1
65.41827	1.0
67.05509	47.2
69.03433	1.7
69.06727	1.6
69.07076	17.6
70.67490	1.1
71.04984	3.6
71.08649	1.6
71.52181	1.0
79.05092	0.8
79.05496	29.6
81.03420	5.2
81.07063	46.7
83.04980	2.9
83.08626	10.6
85.06554	3.3
91.05487	35.3
93.07047	39.0
95.04965	3.3
95.08614	46.3
97.06525	4.2
97.10175	6.1
97.36462	1.0
98.20728	2.3
99.08064	2.0
103.05471	2.0
105.07043	33.2
107.08595	22.8
109.06512	2.5
109.10167	21.9
111.08047	2.5
111.11718	1.3
117.07024	13.0
119.08584	33.9
121.10152	22.3
123.08054	2.1
123.11741	4.3
125.09650	3.5
128.06267	1.3
129.07027	8.8
131.08582	25.8
133.10133	23.1
135.08104	2.7
135.11705	11.4
137.09639	4.4
137.13261	3.0
139.11227	2.1
141.07008	1.9
142.07787	1.5
143.08563	11.1
145.10139	24.0
147.08040	1.6
147.11700	17.2
149.09653	3.3
149.13263	8.0
150.30611	1.2
155.08592	6.6
156.09372	1.5
157.10124	11.8
157.85991	1.1
159.08095	1.3
159.11711	21.8
161.09583	2.1
161.13274	10.3
163.11273	1.4
163.14844	4.0
169.08830	1.4
169.10080	5.9
171.11703	8.5
173.11816	2.0
173.13261	18.4
173.14670	1.2
175.11299	1.3
175.14830	5.9
177.12801	1.8
177.16478	1.3
181.10167	1.6
183.11685	6.5
184.07364	1.5
185.13313	8.4
187.14861	9.2
189.12749	1.7
189.16335	1.8
191.14323	3.2
195.11662	1.5
197.13272	6.4
199.14803	5.7
201.16412	3.6
203.14410	1.3
203.17943	1.7
205.16022	1.6
211.13200	2.3
211.14972	4.1
213.14873	3.7
213.16451	3.7
215.14485	1.6
217.15863	2.0
223.43178	1.2
225.16420	2.4
227.18053	2.5
231.17516	2.6
239.17995	3.1
241.19647	2.4
243.21021	1.2
245.18925	1.6
257.19067	1.5
259.20657	3.9
269.22430	1.1
271.20615	2.0
273.18839	1.2
273.22174	1.5
275.19876	1.4
285.22244	4.6
287.19995	1.6
299.20712	1.5
299.23639	7.2
303.23047	1.5
313.21661	2.7
313.25287	1.4
317.24957	2.3
333.24411	1.5
335.25684	1.7
351.26077	1.2
377.26868	5.1
379.29971	12.8
391.28528	4.7
397.31091	27.0
397.35910	2.1
397.53311	1.0
398.31641	1.1
405.30341	2.6
415.32178	4.8
417.30856	1.2
433.33578	1.6
453.33511	1.3
471.34741	25.9
489.35837	100.0
490.36108	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	489.3578
Annotation	Cimigenol
Peak:m/z	Relative Intensity
51.36884	0.9
51.43736	1.1
53.03943	3.2
53.77843	1.0
55.01867	3.2
55.05511	19.3
57.03440	6.8
57.07075	3.6
59.04992	1.7
65.03958	1.0
67.05507	44.5
69.07066	18.5
69.21276	2.6
69.21678	9.2
71.05001	2.2
71.08633	1.6
79.05496	29.6
81.03421	4.3
81.07060	49.3
83.04989	1.7
83.08618	12.1
85.06563	2.4
91.05479	27.9
92.86765	1.1
93.07047	37.3
95.04935	2.4
95.08611	40.3
97.06541	4.2
97.10163	5.3
98.20767	2.1
99.08105	2.7
103.05460	1.1
105.04559	1.4
105.07031	30.3
105.07694	1.7
106.96842	1.1
107.08594	22.4
109.06582	1.9
109.10155	20.6
111.08105	3.9
113.09630	1.2
115.05452	1.2
117.07005	12.1
119.08590	30.3
121.06490	2.0
121.10147	20.7
122.30708	1.1
123.08072	1.9
123.11692	6.1
125.09642	1.6
128.06255	1.2
129.07024	6.4
130.07750	1.4
131.08574	20.1
133.06537	1.4
133.10130	23.7
135.08067	2.3
135.11699	15.4
137.09607	2.6
137.13292	2.0
139.11165	1.0
142.07809	1.6
143.08556	8.7
145.10127	21.7
147.11682	17.2
147.12781	1.2
149.09631	2.4
149.13269	7.4
151.11211	1.8
151.52312	1.1
155.08620	3.2
157.10135	9.3
159.08067	1.3
159.11691	17.1
161.13275	10.8
163.11212	2.6
163.14847	3.7
165.09137	1.3
169.10184	4.3
171.11710	10.5
173.11864	1.5
173.13245	14.0
173.14529	1.4
175.11263	1.9
175.14854	4.5
177.12859	2.0
177.16481	1.2
183.11739	4.2
184.07259	1.4
185.13269	7.5
187.14821	7.4
189.16373	2.9
191.14272	1.7
191.18037	1.4
195.11728	2.5
197.13345	4.9
199.14838	5.4
201.16470	5.3
203.18065	1.9
209.13350	1.3
211.14883	4.0
213.16504	5.7
215.17967	2.2
217.19604	1.9
223.02310	1.5
227.18074	2.3
231.17461	3.8
241.19797	1.7
245.19022	2.6
257.18860	1.5
259.20615	1.8
271.20752	2.1
271.23944	1.3
273.22089	1.8
278.26489	1.2
281.22525	1.1
285.22205	3.7
287.20349	1.5
287.23730	1.9
299.20401	1.3
299.23831	3.8
301.21838	1.4
317.24692	2.7
329.24976	1.4
337.25491	1.1
347.25708	1.1
359.25693	1.7
363.25345	1.6
377.26987	4.0
379.29990	8.1
391.28516	4.1
397.13046	2.1
397.31100	20.0
397.35971	2.1
415.32108	5.5
453.33673	2.2
471.16248	1.8
471.34863	22.6
471.41458	1.3
489.35849	100.0
490.35928	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3578
Annotation	Cimigenol
Peak:m/z	Relative Intensity
51.02382	0.9
52.24065	0.6
53.03942	2.8
54.15553	0.8
55.01862	2.7
55.05515	18.5
57.03440	6.4
57.07069	3.0
57.65015	0.7
59.05003	1.3
65.03934	2.5
67.05511	45.2
69.07075	16.0
69.27464	1.6
69.27863	6.0
71.05000	2.4
71.08646	1.1
73.85493	0.7
74.75820	0.7
79.05499	31.2
81.03432	1.9
81.07063	42.2
83.04983	3.1
83.08624	10.8
85.06535	3.1
91.04908	1.3
91.05484	27.5
93.07055	34.3
93.07648	1.6
95.04965	3.1
95.08614	33.4
97.06532	4.5
97.10174	3.3
98.20808	1.7
99.08102	2.3
103.05499	0.8
105.04534	0.7
105.07038	27.0
107.04957	0.8
107.08597	21.0
109.06517	1.9
109.10165	21.7
111.08097	3.2
113.09666	1.0
115.05474	1.2
116.06236	0.7
117.07030	10.4
119.06098	0.8
119.08590	27.7
121.06498	1.9
121.10151	17.0
123.08064	1.6
123.11723	4.5
125.09631	1.9
128.06242	1.6
129.07005	6.7
131.08571	18.3
133.10138	21.6
135.08051	2.0
135.11711	10.9
137.05975	0.8
137.09677	2.0
137.13258	1.2
139.11177	1.5
141.07022	2.2
142.07727	0.8
143.08583	9.6
144.09404	0.8
145.10136	20.6
145.92473	0.8
147.11694	18.1
149.09662	1.8
149.13252	6.2
151.11273	1.0
155.08638	3.3
157.10147	10.3
157.11334	1.0
159.11710	15.3
161.09633	1.5
161.13254	8.1
163.11217	2.0
163.14865	2.2
169.10083	4.7
171.11703	8.9
173.11790	3.8
173.13298	11.2
175.11195	1.1
175.14868	4.1
177.12802	1.0
177.16434	1.3
181.10045	1.0
183.11748	3.5
185.11797	1.1
185.13252	5.9
187.14853	6.1
189.12784	1.1
189.16472	2.3
191.14317	1.4
191.17963	0.9
193.15909	0.9
195.11723	1.5
197.13312	3.2
199.14827	4.5
201.12859	0.9
201.16429	3.8
203.14397	1.0
203.18010	1.9
205.16045	1.2
209.13342	1.1
211.14832	2.8
213.16515	5.8
215.14345	0.8
215.18068	1.9
217.15999	1.1
217.19757	0.8
223.14952	0.9
225.16437	1.6
227.18047	1.6
231.17511	2.2
239.16228	1.1
241.17998	2.5
243.21175	1.2
245.19087	1.6
249.18719	1.0
253.19566	1.0
255.21138	1.0
257.19046	1.3
259.20584	1.1
261.18597	0.9
261.22110	1.8
267.21124	1.1
271.20572	1.5
273.22119	1.6
275.20117	0.9
277.21738	0.9
285.22104	4.2
287.20203	1.0
287.23663	0.9
289.21793	1.2
299.20685	0.8
299.23596	4.2
301.21872	0.9
303.23227	1.8
317.24863	2.0
319.22760	0.8
327.23398	0.8
329.24765	1.0
347.25995	0.9
363.25363	1.0
369.31763	1.0
377.26910	4.0
379.29926	8.4
391.28464	4.9
397.31119	17.0
401.04517	0.7
401.27106	0.8
405.30438	1.2
415.32153	5.0
419.27853	0.9
433.33142	1.4
435.32367	0.9
447.31647	1.0
453.33932	1.6
471.16397	1.8
471.34903	19.5
472.35294	1.1
489.35840	100.0
490.36258	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.8
55.05509	2.0
57.03420	0.6
61.02897	0.9
62.35152	0.6
63.02074	0.5
63.53134	0.5
65.03955	0.6
67.05514	5.4
69.03418	2.4
69.07064	1.1
71.04984	1.2
71.49547	0.9
72.08132	0.5
73.02930	0.6
73.06563	3.6
74.06866	1.3
79.05489	1.4
81.03437	1.2
81.07066	4.8
83.04974	0.9
85.02911	5.6
85.06529	1.1
86.03230	2.4
87.00849	0.5
87.03324	1.0
89.52681	0.5
91.05490	1.5
93.07032	2.6
95.04966	0.6
95.08610	7.0
97.02899	2.2
97.06518	1.4
98.03238	0.8
99.04461	0.8
105.07030	1.7
106.06548	2.3
107.06911	1.8
107.08578	2.1
108.07210	0.5
109.02876	0.8
109.10162	6.8
111.08109	0.9
113.06013	1.3
115.43008	0.6
119.08578	3.4
121.06533	0.5
121.10162	2.0
122.07286	1.5
123.08100	1.3
123.11696	2.9
125.09617	0.9
127.03905	1.6
132.04802	1.3
133.10158	1.2
134.04367	6.0
135.04712	2.2
135.11739	0.9
136.04851	0.6
137.06001	1.3
137.09622	13.5
141.09135	1.4
145.05006	1.2
147.05434	1.0
147.11624	1.0
148.05688	0.5
149.02306	0.5
149.09644	4.1
151.07547	1.4
157.08618	1.4
163.03903	0.8
163.11232	0.5
163.14873	0.9
165.09123	100.0
166.09497	0.7
175.11200	1.5
187.09647	0.7
189.12808	1.2
189.16370	0.8
203.10698	1.3
205.12216	1.3
291.23123	1.1
317.21213	0.8
337.23813	1.8
377.91312	0.6
383.15729	1.1
384.15936	1.5
397.12585	0.7
425.30884	0.7
488.65018	0.5
489.32053	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3578
Annotation	Cimigenol
Peak:m/z	Relative Intensity
53.03951	3.5
55.01869	2.8
55.05515	15.3
55.56043	1.3
57.03430	5.1
57.07073	6.6
59.05011	2.5
65.03937	2.8
67.05512	41.6
69.07072	18.5
69.56821	8.5
71.04987	3.2
71.08640	2.9
79.05497	25.8
81.03421	15.0
81.07066	41.7
83.04987	2.4
83.08623	10.8
85.06547	3.4
85.10172	1.3
87.04482	3.2
91.05484	29.4
91.06022	2.0
93.07055	34.1
95.04988	4.3
95.08615	37.8
97.06530	4.7
97.10175	4.9
99.08115	1.6
103.05482	1.9
105.07039	28.6
105.07707	2.3
107.04962	1.9
107.08598	20.8
109.06543	3.0
109.10163	18.8
115.05435	1.6
117.07049	13.5
119.08594	29.5
121.10143	17.5
123.08038	2.3
123.11704	6.7
125.09673	2.3
128.06303	1.8
129.07024	8.7
131.08580	22.9
133.06464	2.3
133.10143	17.2
135.08067	3.7
135.11699	13.5
137.09624	3.4
137.13248	2.5
139.11197	3.1
141.07085	2.7
143.08536	9.2
145.10124	21.4
146.10529	1.6
147.11700	18.4
149.09636	5.3
149.13277	5.6
155.08565	3.7
157.10132	10.6
159.11703	18.8
161.09714	2.2
161.13261	7.6
163.14847	3.2
169.10193	6.4
171.11662	8.6
173.11903	2.8
173.13248	12.8
175.11241	1.7
175.14893	7.8
177.09247	2.5
177.12862	2.4
183.11777	4.9
185.13322	7.7
187.14893	7.4
189.12746	2.2
189.16405	2.3
191.14359	3.3
197.13333	4.1
199.14874	7.2
201.16460	4.1
211.14952	3.4
211.96800	1.3
213.14795	2.8
213.16537	2.3
217.15964	2.6
223.14880	1.4
225.16435	3.3
227.18102	3.0
231.17693	1.5
239.18007	2.1
241.19597	2.3
245.19173	2.8
259.20633	3.1
267.21259	1.6
271.20447	2.4
273.22299	1.6
285.22266	4.3
287.20139	2.2
287.23618	2.5
299.23849	4.4
313.24936	1.8
317.24939	1.7
333.24301	1.7
377.26984	5.0
379.30057	8.9
389.79636	1.7
391.28592	4.2
397.31119	27.9
397.81555	1.6
405.29968	2.7
415.32120	5.6
420.18704	1.6
471.34802	29.1
472.35220	1.5
489.35876	100.0
490.36093	2.9
513.84937	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.4465
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07084	26.0
67.05492	2.8
69.07062	2.5
69.45302	12.2
69.45709	3.9
70.25816	2.1
81.07050	6.4
85.77647	1.8
90.00845	2.0
93.07053	4.9
95.08607	10.6
105.07065	3.1
107.08617	10.1
107.09220	2.1
109.10152	5.9
119.08559	3.0
121.10160	14.0
121.73617	2.3
123.11701	3.9
128.06091	2.3
133.10130	3.4
135.11688	8.1
137.13261	7.3
145.10147	2.8
147.11702	3.2
149.13275	13.2
161.13240	4.4
163.14827	2.8
175.14767	2.8
177.16402	14.4
191.17946	26.2
195.17407	16.7
215.17990	3.4
217.19458	4.5
229.19476	3.0
231.21169	3.4
233.18927	3.0
251.20129	5.2
285.25702	3.0
327.25415	16.7
341.86563	2.2
425.37790	100.0
426.38065	3.0
443.38824	24.7
488.37381	4.2
488.44583	57.0
489.34644	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	489.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09140	0.9
56.96555	2.4
61.02933	4.5
70.66216	1.4
70.66553	1.7
84.08127	3.3
87.04440	1.1
91.05460	1.7
98.97576	2.1
100.95867	0.8
103.05430	1.0
105.06993	2.8
111.13372	0.8
114.05304	0.8
119.08574	1.9
120.08111	8.8
121.08437	0.9
123.04432	0.9
128.98517	0.8
129.07036	4.1
131.04886	0.9
131.08577	1.3
143.00072	0.9
145.10078	0.9
147.04424	0.9
147.08026	6.8
157.06488	1.7
159.08040	1.6
160.05153	1.9
161.05949	1.9
163.03914	4.1
166.08626	3.5
166.82899	0.8
173.09613	1.3
174.12813	0.8
175.07571	7.9
177.09119	3.9
179.06944	0.8
185.09514	1.6
189.09151	1.1
191.10603	2.1
201.09219	1.0
202.12196	1.4
203.07013	2.0
203.10709	1.8
205.08632	1.0
216.07895	0.9
217.08755	1.0
219.10135	2.5
230.11670	2.1
244.13397	1.7
245.11613	1.2
248.12857	7.6
253.00574	0.7
262.14282	1.6
280.15445	100.0
281.15762	2.6
426.27118	0.8
445.13187	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70959	1.8
55.05516	5.6
57.07070	8.9
67.05494	8.1
69.07076	6.8
69.25566	16.6
74.64265	1.7
79.05473	4.6
81.03410	2.0
81.07056	17.8
91.05488	5.0
93.07046	9.1
95.08620	26.1
98.20820	5.5
105.07058	4.4
107.08591	16.6
109.10164	16.2
119.08592	8.3
121.10143	15.0
123.11738	9.4
131.08557	2.4
133.10150	5.1
135.11710	8.8
137.13242	7.2
145.10141	2.7
147.11696	4.7
149.13300	7.1
157.10165	2.5
163.14854	7.4
173.13277	2.7
175.14771	2.8
187.14813	4.1
189.16299	2.9
191.14371	3.0
191.18024	6.1
203.18108	3.0
205.15907	3.2
205.19588	3.7
207.13902	2.6
233.15410	4.4
247.17038	5.0
251.16429	31.0
265.18060	8.7
295.72525	2.1
315.02588	2.5
395.33136	3.7
421.34610	2.7
425.34167	7.2
439.35742	12.1
443.35077	3.7
457.36798	100.0
458.37033	5.6
488.41547	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74603	4.7
57.07066	12.0
59.10990	3.7
67.05505	8.9
69.07070	9.7
69.14827	4.2
69.59149	18.7
69.59552	7.6
71.08611	7.3
79.05528	8.4
80.02452	3.9
81.03418	17.1
81.07057	21.0
83.08623	4.8
89.06030	5.4
89.33045	4.6
91.05481	6.1
93.07043	14.6
95.04958	4.4
95.08611	32.1
98.21452	5.6
100.37991	3.6
105.07017	9.5
107.08600	16.5
109.10158	19.6
113.05901	4.2
118.78503	4.2
119.08579	5.9
121.10146	11.2
123.08072	81.2
123.11726	16.3
130.21930	4.6
131.08502	5.9
133.10129	19.2
135.11661	13.4
137.09590	9.0
137.13245	7.7
141.66565	4.3
147.11731	5.8
149.13226	5.2
151.11168	32.7
159.08095	4.4
169.12260	26.4
175.14812	4.8
177.85864	4.4
189.16231	4.4
191.17923	18.3
197.26646	4.2
209.15489	5.1
220.17792	6.9
221.18159	6.5
234.15685	7.7
271.24127	6.5
275.23721	53.2
280.02313	4.3
288.24817	4.5
333.75354	4.4
379.33582	9.6
397.34583	17.6
407.32813	7.7
425.34155	48.5
439.35767	5.1
443.35208	16.3
453.33533	6.3
471.34628	10.9
488.41104	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81055	0.4
53.03930	0.4
55.17618	0.4
55.34436	0.4
57.07074	1.6
61.02930	0.4
65.03934	0.9
70.17959	1.4
81.03410	1.3
85.02897	1.6
87.00822	1.0
97.02894	1.6
99.04452	0.6
105.01883	0.6
109.02901	1.0
119.44619	0.4
121.02868	3.0
127.03922	1.7
148.28273	0.4
149.02348	100.0
150.02679	1.2
163.69435	0.4
165.67651	0.4
167.03395	1.4
205.08635	3.7
223.09662	12.3
339.55075	0.4
350.59439	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.8
56.56674	0.5
57.03437	5.3
58.58512	0.4
59.05005	100.0
60.05331	0.6
69.03429	2.8
70.06617	0.9
71.49409	0.8
73.02916	0.5
79.05492	1.0
81.03445	0.8
81.07081	0.7
85.02910	5.0
86.09711	0.6
89.06005	0.7
91.05508	0.8
93.07025	0.7
97.02922	0.9
97.06557	2.6
99.04461	0.7
99.08125	1.9
101.09684	0.8
108.57237	0.5
109.10211	0.5
115.07587	1.1
117.09141	36.4
127.03977	1.0
128.06094	0.4
135.10184	0.6
137.06020	2.6
139.33421	0.6
145.02878	0.7
147.04442	0.7
149.05968	0.7
161.06059	1.6
163.04047	0.6
175.07587	0.9
175.13315	14.3
177.05560	0.8
187.07593	0.6
189.09131	0.9
193.06578	0.9
193.14334	3.5
203.07071	0.8
204.10291	1.1
221.05998	0.8
225.09193	1.6
227.07344	0.6
230.11742	0.5
233.17609	2.1
251.18651	2.2
253.08769	1.4
258.19000	0.5
277.08777	0.6
285.11371	2.2
295.09738	0.6
309.22729	36.4
327.12268	5.7
351.73355	0.6
352.13406	0.6
367.15457	1.0
369.25903	0.6
373.14163	0.7
409.12796	1.3
418.93207	0.5
444.20651	0.9
470.15369	0.5
471.16809	1.0
489.15332	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.8
56.07456	1.4
57.07063	5.2
65.03932	4.3
67.05495	3.7
69.07068	2.5
71.08623	1.5
71.41425	1.9
77.49976	1.6
79.05507	2.8
79.60593	1.6
81.07059	11.0
83.08627	3.1
87.04439	1.6
88.52301	1.6
91.05484	78.5
93.07042	5.8
95.08619	20.7
105.07029	4.3
106.06544	3.4
107.08577	6.6
108.08127	2.6
109.10155	8.3
119.08575	5.9
119.50410	1.6
120.08139	1.7
121.10130	6.8
123.11697	3.0
133.10168	3.0
135.11726	3.9
137.13251	7.3
139.38837	1.7
147.11684	3.5
149.13257	5.0
153.09090	1.8
161.13222	2.1
163.11221	1.9
163.14832	3.2
166.07828	3.4
173.13193	1.8
181.10120	6.9
189.16376	2.8
191.14307	7.1
198.12706	5.5
201.16260	2.0
229.19493	1.8
242.65944	1.5
346.25833	2.0
379.99567	2.0
390.27795	4.6
395.33139	9.7
439.35696	16.8
457.36783	100.0
458.37186	3.2
488.35150	38.4
489.35464	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	488.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77031	1.2
56.78153	1.1
69.19598	9.5
69.20013	3.1
69.71877	1.3
70.06579	1.2
72.08171	1.8
81.03430	1.7
86.09711	2.3
91.05486	1.8
97.02925	1.7
98.20733	2.3
137.05992	2.1
163.03937	1.9
177.41205	1.4
188.07092	2.2
193.08578	1.1
202.08559	2.4
221.06094	1.5
222.09215	1.8
226.08623	1.3
228.06659	1.6
239.07063	1.7
242.08246	1.6
246.09167	4.3
248.10741	1.9
250.08560	1.8
251.09392	1.7
252.06868	1.2
252.10349	1.6
264.10260	4.3
270.07675	2.6
274.08679	7.9
276.10168	4.1
278.08182	4.2
280.09708	5.2
284.09204	1.5
290.08194	2.1
292.09653	7.5
294.07916	1.3
294.11072	1.8
296.09125	2.6
298.07172	3.7
302.08112	6.4
303.09064	1.4
304.09698	3.9
306.07639	5.0
307.08377	2.2
308.09290	5.4
320.09183	11.0
322.10736	6.7
324.08612	1.8
325.09378	1.5
330.07611	5.1
332.09268	1.6
334.06955	3.0
338.10370	3.4
339.07608	1.6
348.08621	11.9
350.10150	12.8
352.08060	1.6
366.09698	4.8
376.08276	3.5
380.11292	2.5
382.12790	5.6
385.11362	1.9
394.09274	6.5
398.12231	3.4
412.10394	3.0
416.12958	1.7
426.11835	17.2
444.12836	100.0
461.73224	1.4
470.14047	2.1
488.11646	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	488.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.6
55.01868	0.7
56.56093	0.2
57.03436	0.3
57.07077	5.1
61.02928	0.2
61.67527	0.2
65.03944	0.8
68.99782	0.2
69.03432	1.0
71.29400	0.3
73.02876	0.3
77.26340	0.2
81.03427	1.3
85.02915	2.5
87.00829	1.3
97.02888	1.3
99.04449	0.5
100.68589	0.2
105.01859	0.5
108.04485	0.5
109.02887	1.0
117.01859	0.3
117.07205	0.2
120.02883	0.2
121.02868	2.6
121.03902	0.5
126.05502	0.3
127.03919	1.7
145.04929	0.7
149.02345	100.0
150.02718	1.5
159.02914	0.5
167.01988	0.3
167.03413	7.3
205.08655	1.2
223.09662	14.3
224.09981	0.3
231.04974	0.4
450.81894	0.2
455.00229	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3425
Annotation	24-Epi-acerinol
Peak:m/z	Relative Intensity
51.27881	0.8
53.03942	2.5
55.01870	2.3
55.05511	12.0
57.03439	5.2
57.07075	5.5
58.07427	0.8
65.03925	1.1
67.05508	31.3
69.07071	12.8
69.42001	6.6
71.02845	0.9
71.04977	1.9
71.08633	1.1
77.03902	0.9
79.05495	23.4
81.03444	1.0
81.07059	32.4
83.04971	2.0
83.08622	6.8
85.06562	1.0
87.04471	43.5
88.04797	7.7
89.06011	1.2
91.05482	21.3
93.06484	1.6
93.07050	23.7
95.04980	2.1
95.08610	26.3
97.06542	2.9
97.10172	3.1
99.08076	1.1
105.07040	16.0
106.46540	0.9
107.08598	14.5
109.06519	2.4
109.10155	13.5
111.08092	2.0
111.11697	1.1
113.09683	1.1
115.05456	1.6
117.07023	11.2
119.08585	12.7
121.06516	2.7
121.10149	13.5
123.08090	1.1
123.11703	3.9
125.09645	2.3
127.07561	1.1
128.06238	1.6
129.06989	7.9
131.08569	16.5
133.06476	1.5
133.10135	10.1
135.08078	3.2
135.11696	10.3
137.09587	1.5
137.13264	1.9
139.11124	1.2
141.07001	3.3
142.07823	1.9
143.08569	8.9
145.10120	14.8
147.08041	1.2
147.11694	6.6
149.09644	2.2
149.13261	4.7
151.11203	1.5
151.14801	1.1
155.08591	4.7
156.09288	0.9
157.10114	9.6
159.11710	9.7
161.09613	1.7
161.13277	3.3
163.11162	1.5
167.08423	1.0
169.10115	5.7
171.11685	8.2
173.13246	6.3
175.11197	1.4
175.14847	3.0
177.16373	0.9
181.10162	2.2
183.11674	4.5
185.13222	5.6
187.14810	3.9
189.12817	1.4
191.14326	1.1
191.18016	1.2
195.11697	3.1
197.13304	5.7
199.11229	1.1
199.14877	3.2
201.16457	2.3
209.13277	2.7
211.14847	3.2
213.12738	1.2
213.16399	2.1
217.15918	0.8
217.19518	1.2
221.15498	0.9
223.14903	2.0
224.65822	0.8
225.16394	1.7
227.17842	1.2
234.19447	1.1
235.20566	1.2
237.16370	1.2
239.17886	1.3
243.17081	0.9
251.20131	1.0
253.19507	1.3
257.19003	1.6
271.20660	1.3
285.22229	1.4
297.22104	2.4
311.23511	1.4
315.23154	1.1
328.04929	0.9
367.30194	0.9
375.25290	1.6
377.28293	4.8
389.26865	2.2
395.29501	14.6
403.28653	1.2
413.30408	2.0
423.32614	1.3
431.31635	1.1
451.32004	2.8
458.30670	0.9
469.33142	8.3
469.40387	2.8
487.34924	100.0
488.34784	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	487.3422
Annotation	Acerinol
Peak:m/z	Relative Intensity
51.02386	1.6
51.73916	1.3
53.03953	6.7
55.01865	2.8
55.05515	19.4
56.81838	1.6
57.03428	6.3
57.07080	3.8
65.03931	3.5
67.05511	53.4
69.07077	14.4
71.01340	2.5
71.04982	4.3
77.33430	1.3
79.05499	79.2
81.03432	6.6
81.06599	2.7
81.07060	38.3
83.04964	5.8
83.08625	7.2
85.06553	3.0
87.04469	2.9
91.05488	35.1
93.07051	80.1
95.05001	6.6
95.08611	19.2
97.06538	10.2
97.10161	6.2
98.21618	3.0
99.08085	3.8
103.05450	1.8
105.04506	2.8
105.07030	19.5
107.04926	1.5
107.08599	28.2
109.06454	1.8
109.10161	7.8
111.08076	2.8
117.07002	9.4
119.08599	16.7
121.06497	3.2
121.09352	2.4
121.10154	35.4
123.08060	1.9
123.11703	2.6
125.09645	3.1
129.07014	3.9
130.07819	1.6
131.08572	9.9
133.10124	11.2
135.10713	2.5
135.11703	43.1
136.94702	1.5
137.09631	1.7
137.13200	1.9
140.36784	1.3
143.08557	4.8
145.10149	18.0
147.11699	4.6
149.13223	3.0
157.10101	4.4
159.11671	8.3
161.13232	2.2
163.11192	6.8
163.14854	1.7
169.10103	1.9
171.11676	3.9
173.13206	4.2
181.12238	6.7
185.13322	3.0
187.14755	3.0
191.17868	1.6
199.14850	1.5
209.33580	1.3
215.17924	3.1
219.13708	1.5
229.15903	1.5
229.43460	2.0
255.15929	2.9
269.91202	1.3
271.65338	1.5
297.22305	1.6
377.28299	1.6
395.29474	4.8
413.30502	2.0
422.55838	1.7
423.32846	1.9
469.32910	4.2
487.34476	100.0
488.34772	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	487.3422
Annotation	24-Epi-acerinol
Peak:m/z	Relative Intensity
53.03940	2.4
53.19017	1.4
55.01871	1.8
55.05519	12.4
56.96711	1.5
57.03436	9.6
57.07073	4.9
60.68874	1.8
65.03943	2.0
67.05508	25.1
69.07078	14.3
69.31535	4.6
69.31956	7.9
71.04990	2.5
71.08646	1.9
79.05497	36.7
81.03334	1.4
81.07059	35.9
81.07533	2.6
83.04985	1.4
83.08618	6.2
87.04469	3.2
91.05489	24.6
93.07051	24.6
95.04974	3.8
95.08611	22.2
97.06509	3.4
97.10159	3.3
99.08100	1.7
105.07034	22.2
107.04943	2.2
107.08601	18.9
108.08910	1.5
109.10146	11.3
111.08076	2.0
115.05449	3.1
116.06281	2.0
117.07012	13.5
119.04977	1.6
119.08601	18.3
121.10146	10.4
123.08098	2.8
123.11719	6.4
125.09658	3.5
128.06235	2.9
129.07024	10.6
130.07855	1.5
131.08566	24.3
133.06511	1.9
133.10144	16.2
135.08063	5.9
135.11710	10.4
137.09639	2.5
137.13234	3.1
139.11234	2.6
141.07022	3.2
143.08585	13.1
145.10138	18.1
147.08046	2.4
147.11740	7.6
149.09554	2.4
149.13260	5.7
151.11197	2.3
155.08585	6.4
156.09393	1.5
157.10135	11.7
159.11732	12.6
160.85118	1.6
161.09602	1.8
161.13268	6.1
163.11052	1.5
163.14862	2.0
167.08578	2.8
169.10086	7.3
171.11679	11.5
173.13310	10.1
175.14821	3.6
179.07059	3.3
181.10149	4.7
183.11674	7.4
185.13266	9.7
187.14828	4.0
189.09167	2.1
189.16444	3.7
191.17946	16.6
195.11725	5.3
197.13284	5.5
199.14841	4.1
203.14339	1.7
209.13255	5.2
211.14891	3.8
213.12775	3.3
213.16452	3.2
215.14403	1.7
217.05388	1.6
219.11768	1.8
220.12680	1.5
223.14856	2.9
225.16449	2.3
227.14409	1.7
237.16521	2.1
239.17952	2.7
261.22247	1.7
265.19611	1.8
267.17453	1.6
297.22198	2.7
297.31470	1.6
301.21536	1.9
311.23584	2.4
335.25821	4.4
338.28995	1.5
377.28436	10.9
385.27426	1.9
389.26874	2.6
395.29135	20.5
413.30298	3.4
423.32623	8.0
441.33661	2.2
441.60611	1.5
451.32404	2.4
469.33102	27.7
487.34244	100.0
488.34717	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	487.3422
Annotation	24-Epi-acerinol
Peak:m/z	Relative Intensity
53.03939	8.8
53.88858	1.4
55.01863	3.2
55.05275	1.8
55.05515	26.6
57.03459	7.3
57.07058	4.7
63.50066	1.2
65.03926	3.8
67.05509	62.6
69.03426	1.5
69.07066	19.2
71.01342	1.4
71.04974	4.7
77.03944	1.9
79.05495	87.9
81.03426	7.6
81.06596	2.1
81.07059	41.9
83.04993	11.5
83.08616	8.0
85.06538	3.5
87.04449	1.6
91.05489	39.0
93.07047	81.6
95.04969	9.4
95.08607	28.1
97.06536	12.0
97.10168	10.1
98.21528	3.5
99.08078	2.7
103.05450	1.7
105.04482	4.1
105.07026	23.6
107.04951	2.2
107.08603	36.7
109.06504	2.2
109.10166	8.7
111.08111	2.3
117.07023	10.7
119.08582	16.5
121.06465	2.1
121.09338	2.7
121.10152	37.7
123.08018	2.6
123.11682	3.6
125.09635	3.5
129.07005	4.5
131.08598	10.1
133.10144	13.4
135.08057	2.7
135.11697	48.6
136.12025	2.1
139.11201	2.2
141.07069	1.8
143.08560	4.1
145.10114	17.8
147.11673	5.7
149.13260	2.8
153.12708	1.9
155.08543	2.5
157.10118	4.1
159.11691	6.3
161.13229	2.4
163.11185	7.1
163.14940	1.4
169.10147	3.0
171.11679	2.4
173.13313	5.2
181.12303	7.7
183.11667	3.1
185.13216	2.6
187.14786	2.9
195.11743	2.0
199.13213	1.4
215.17961	3.8
225.16304	2.0
232.61961	1.5
255.15694	2.1
265.30084	1.4
289.21518	1.5
357.63290	1.6
377.28577	1.9
395.29416	6.4
469.32968	3.8
487.34439	100.0
488.34753	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	487.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.4
55.01877	6.7
55.05517	20.4
57.03429	12.3
57.07055	6.2
61.02927	7.4
64.48404	4.0
67.05181	6.8
67.05510	77.8
69.03427	11.8
69.07065	18.6
70.37241	14.8
71.05003	6.5
73.02927	5.3
74.09715	15.1
77.28803	4.1
77.45007	4.6
79.05499	67.3
81.03408	11.6
81.07067	100.0
83.04958	4.5
83.08614	7.7
85.02895	13.2
85.06567	8.2
91.03963	6.1
91.05480	50.9
93.07056	92.0
95.04964	9.8
95.08616	68.4
97.02890	9.7
97.06528	10.9
97.23334	4.5
99.08071	7.5
105.07039	31.2
107.04975	5.2
107.08618	49.4
109.06542	12.0
109.10177	41.8
111.08081	5.7
117.07034	14.9
119.08587	24.5
121.06481	6.1
121.10160	45.6
123.08127	8.4
123.11694	16.5
129.07024	7.5
131.08588	29.7
133.10144	29.4
133.11722	4.2
135.08051	7.1
135.11723	53.7
137.09607	8.3
137.13210	5.4
145.10117	32.9
147.11720	25.3
149.09622	6.7
149.13278	26.5
155.08624	5.3
157.10130	4.5
159.11665	21.8
161.13293	5.3
163.11166	6.3
163.14705	4.9
164.72862	4.7
169.10255	4.8
171.11598	4.7
173.13274	24.9
177.12672	5.1
189.12773	4.5
215.17963	55.7
233.19002	54.3
241.75526	4.2
251.20123	10.5
307.22656	18.1
325.23715	10.7
395.36987	4.5
469.27734	7.0
487.33972	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	487.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.7
54.04277	0.9
55.01873	3.6
55.05271	1.1
55.05513	14.1
56.02205	0.8
56.05841	2.8
57.03441	7.3
58.03762	1.3
59.99111	3.0
61.02932	11.1
61.98693	5.0
62.03257	1.2
63.02537	0.6
67.05504	1.8
69.03430	27.2
69.07059	2.4
70.03767	4.2
71.04995	6.0
71.49742	1.1
72.05319	0.9
72.08157	10.6
73.02937	4.4
73.06557	65.5
73.08493	3.2
74.06882	16.9
75.06969	0.9
79.05499	3.6
80.05837	0.9
81.03420	13.0
81.07059	6.7
82.03757	3.0
83.01360	1.5
85.02909	100.0
85.06535	0.9
85.07665	1.3
86.03242	20.8
86.06087	5.3
86.07994	0.9
87.00824	2.2
87.03313	6.4
87.04491	2.4
87.06396	0.9
88.03676	1.0
91.03941	6.2
91.05488	1.3
92.04239	1.2
93.07059	4.2
95.05000	0.9
95.08615	3.7
97.02897	30.2
97.06528	1.6
98.03218	9.5
99.03281	1.4
99.04465	5.7
100.04777	1.6
104.99227	0.8
105.01849	1.2
105.07023	2.3
106.06560	51.0
107.06256	1.5
107.06879	22.8
107.08540	4.2
108.07231	1.6
109.02883	10.5
109.10191	5.4
110.03220	2.2
111.08899	0.7
115.03921	1.8
115.08697	8.2
116.07084	1.7
116.08311	1.1
116.09019	3.5
119.08599	1.6
121.10145	1.6
123.11712	3.2
127.03918	20.8
127.11189	1.8
128.04245	5.3
129.04352	2.0
132.04797	27.4
133.05209	20.6
133.10126	3.2
134.04367	85.7
134.05202	3.6
134.06039	2.6
135.04756	30.2
135.05725	1.4
135.06346	0.9
135.11719	5.6
145.04977	27.6
146.05331	10.5
147.03917	2.0
147.05464	4.0
147.11728	1.1
148.05800	1.0
149.13284	0.9
151.11183	0.9
153.12752	8.8
157.13284	3.6
158.13699	2.9
159.02885	1.3
159.11728	1.2
163.06023	4.2
164.06409	1.1
173.88478	0.8
175.05403	1.0
176.05676	0.9
177.04863	4.0
178.05295	1.7
191.11877	1.6
191.17841	1.1
191.27390	0.8
192.12260	2.0
201.44006	0.8
203.17963	2.5
209.05850	0.9
209.19115	1.6
210.04938	1.3
211.05389	0.9
217.10161	1.7
218.10301	3.9
219.09517	8.7
220.09955	7.5
221.15475	0.9
221.19011	2.2
239.20091	2.2
253.10179	0.8
317.22141	0.8
380.15530	1.4
381.15280	11.4
382.15518	25.6
487.21439	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	487.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	6.0
55.01874	5.6
55.05511	46.9
57.03429	10.3
57.07067	17.7
67.05506	45.6
67.89251	4.3
69.03432	66.7
69.07073	39.9
69.40971	7.7
69.41382	27.3
70.89179	4.2
71.04985	14.1
74.49830	4.3
74.60972	4.3
79.05486	23.3
81.03419	8.8
81.07063	100.0
83.08613	41.5
85.02907	24.6
87.00826	21.9
91.05485	22.5
93.07047	75.9
95.04939	6.6
95.08610	83.8
97.02898	58.6
97.10191	14.0
98.21552	8.2
99.08086	12.5
105.01899	5.7
105.07037	23.9
107.08591	91.0
109.10146	68.3
115.03951	36.2
119.08577	14.0
121.10143	43.6
123.11709	87.6
127.03941	6.1
127.11182	5.5
131.08601	4.1
133.10114	8.1
135.11696	70.7
137.13242	36.2
143.10727	8.2
147.11734	9.2
149.13271	77.4
153.12767	9.5
161.13271	9.0
163.14870	13.0
173.68958	4.5
188.39116	5.6
201.03984	13.6
202.74686	4.4
203.17963	13.4
205.19498	40.4
219.04974	8.5
221.19017	17.0
223.20589	10.1
247.04599	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	11.3
55.01874	9.6
55.05514	24.7
57.03423	6.0
57.07077	9.2
59.04989	2.5
59.78727	1.6
60.27186	1.4
61.02921	3.1
65.03933	2.0
65.13508	1.4
67.05511	14.1
68.99783	2.9
69.03436	33.4
69.07074	53.8
69.43460	11.3
71.05000	15.3
71.08620	2.7
73.02904	6.0
73.06556	1.8
77.03897	1.7
79.05508	14.2
81.03422	34.2
81.07062	42.0
83.04960	3.1
83.08623	26.2
85.02906	57.7
85.06540	3.5
87.00838	24.3
87.08128	1.8
91.03921	2.2
91.05502	8.7
93.06488	2.3
93.07051	35.8
95.04954	4.1
95.08617	41.6
97.02906	20.7
97.06541	18.8
97.10152	3.3
98.21497	2.7
99.04453	10.4
99.08078	5.4
105.01865	13.5
105.07030	12.3
107.08608	49.0
109.02884	30.8
109.06516	7.0
109.10165	30.5
111.08077	7.5
111.11730	2.3
113.06010	2.0
113.09609	1.7
115.03938	7.9
117.01888	3.5
119.08586	15.5
119.09396	2.1
121.06547	1.9
121.10145	21.7
123.08087	26.2
123.11713	24.8
125.09638	5.3
125.13303	9.1
125.79320	1.5
127.03924	38.5
127.11143	2.8
129.01830	3.7
131.08601	2.3
133.10149	10.9
135.11702	61.0
135.12730	3.5
137.09616	6.8
137.13268	8.9
139.11194	1.6
141.12672	1.6
145.04982	11.5
145.10114	5.2
147.02846	4.0
147.11670	10.6
149.13257	23.9
151.11147	2.3
151.14848	1.9
153.12741	34.7
155.10724	1.7
157.10139	2.7
159.02890	15.0
159.11673	6.3
161.13245	9.1
163.14799	4.8
165.12733	3.5
173.13258	1.7
175.14801	1.7
177.16312	1.8
179.10637	2.0
189.12868	2.4
201.03984	3.7
203.17976	21.1
205.19563	10.1
219.05000	2.1
221.19017	100.0
223.20619	3.6
231.05009	6.8
233.18887	1.7
239.20033	3.0
247.04317	2.1
269.58017	1.4
329.21210	3.1
431.81604	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11136	2.3
53.03943	6.0
54.32172	2.0
55.01875	5.7
55.05512	6.3
55.38772	2.3
57.03432	2.9
61.02909	3.9
67.05502	6.6
68.99777	3.6
69.03427	18.4
69.07068	6.6
71.04990	3.6
71.49363	3.8
73.02923	5.8
79.05496	12.9
81.03415	20.3
81.07057	37.0
85.02912	31.2
86.09682	3.0
87.00832	12.4
91.05484	19.0
93.07047	26.1
95.04961	10.1
95.08620	21.4
97.02890	14.8
97.06525	28.1
99.04446	12.2
100.57491	2.4
105.01867	8.4
105.07034	67.0
106.06512	3.5
107.08591	17.4
109.02869	19.6
109.06511	3.0
109.10172	2.7
117.01824	2.6
117.07021	2.8
119.08591	40.2
119.17766	2.4
121.10152	8.0
123.08031	3.7
127.03915	28.2
131.08575	7.4
133.10155	33.9
135.11690	7.9
143.08525	5.0
144.09343	3.0
145.04947	4.5
145.10181	5.3
147.11661	5.1
149.13258	14.2
159.02913	6.5
159.08098	2.7
159.11720	6.8
161.05962	4.3
161.13258	85.4
165.01936	2.5
173.13367	2.7
175.14806	4.9
177.12756	8.9
179.14307	10.4
183.08072	2.9
185.13275	5.7
187.07576	9.9
189.09300	2.3
191.14355	3.3
203.14331	20.4
211.07574	8.8
221.15370	91.6
226.06163	2.8
227.07054	21.3
229.08560	4.1
231.05016	3.9
233.08078	5.0
239.16428	100.0
325.10965	3.8
331.34323	2.3
337.14227	2.7
365.13763	5.1
383.14917	19.7
511.07040	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.6
55.05513	4.3
61.02934	3.2
62.02978	2.1
65.89396	1.7
67.05504	6.3
68.99793	5.1
69.03436	9.5
69.07069	6.7
69.14174	18.7
71.04983	4.3
73.10621	1.5
79.05486	8.1
79.56667	1.9
81.03411	9.0
81.07053	29.2
83.04950	2.5
85.02917	12.3
86.91532	1.6
87.00835	5.9
91.05479	5.6
93.07037	10.5
95.08612	13.3
97.02895	4.8
97.06535	3.9
105.07046	23.1
107.04964	2.3
107.08590	16.3
109.02898	11.9
109.10163	7.5
111.04455	22.3
117.07016	4.4
119.08586	39.9
121.06516	5.0
121.10187	10.6
123.08148	2.3
123.11718	23.7
127.03933	18.5
131.08592	5.7
133.10112	12.8
135.11696	4.7
137.05962	2.6
143.08560	3.4
145.10104	3.4
149.09694	2.2
149.13275	5.0
157.10153	5.4
159.11720	18.2
161.13264	100.0
165.09186	6.5
173.13348	2.4
175.14844	16.4
177.12869	3.9
177.16403	2.9
185.13286	4.1
187.14888	3.2
193.15913	7.1
201.12698	2.0
203.14294	19.8
213.03925	3.1
219.13791	2.7
220.67181	1.8
221.13173	2.8
221.15372	58.2
225.72179	1.7
232.89584	1.8
239.16495	14.5
262.66125	2.1
284.62119	2.0
297.75778	1.8
451.19763	3.1
469.20581	3.5
487.32867	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	3.7
57.07057	4.2
67.05503	4.0
69.07051	7.0
69.20381	15.6
69.76878	2.2
79.05504	3.4
81.07061	9.4
83.08601	5.8
87.04010	2.3
87.04474	24.8
93.07035	6.8
95.04992	3.1
95.08617	12.8
97.10138	2.9
97.34181	1.8
98.20816	4.2
105.06990	3.9
107.08591	22.2
109.10157	18.9
116.51953	2.2
119.08591	2.4
121.06483	3.2
121.10142	20.6
123.08067	3.7
123.11714	4.0
131.08565	1.8
133.10136	2.8
133.67987	2.0
135.08032	6.6
135.11711	14.1
148.79602	1.5
149.09602	7.2
149.13239	5.7
151.11165	2.4
156.61026	1.8
161.15929	2.1
161.69371	1.8
163.14832	14.4
169.12241	2.4
177.16380	2.5
191.18005	14.3
205.15837	11.8
219.17433	100.0
220.17801	2.3
233.15378	57.6
275.23663	3.5
290.23578	2.2
423.32501	2.1
425.34113	3.4
437.86972	2.0
469.33209	2.8
486.35327	2.7
486.47995	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	4.3
57.07071	3.3
67.05494	2.1
69.07063	4.3
69.07431	1.1
71.08630	1.5
71.49051	2.1
81.07064	6.8
83.08607	3.4
87.04481	9.1
91.27814	1.2
93.07046	3.7
95.08605	2.9
97.10179	3.1
107.08554	1.5
107.40511	1.1
109.10162	2.3
121.06513	15.7
123.06818	4.3
138.09143	57.3
139.07524	5.4
148.15092	1.2
154.08638	4.0
162.09200	2.8
164.07062	11.3
174.09180	2.4
180.10204	100.0
192.10078	1.9
201.11559	1.4
203.10675	1.7
206.01511	1.4
426.37210	3.3
427.35910	7.0
444.38388	21.2
468.38342	2.1
486.39279	10.8
486.47659	5.4
487.36124	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.4306
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49343	3.5
55.05518	6.0
57.07082	5.3
60.81518	3.8
64.28079	3.4
67.05506	6.4
69.07056	10.2
69.20524	30.3
69.20943	8.6
81.07043	11.6
87.04462	33.2
93.07024	5.9
95.08617	19.6
105.07052	5.7
107.08600	10.9
109.10168	14.6
112.65101	3.5
119.08575	11.1
121.10149	11.3
123.08072	4.6
123.11677	5.4
133.10158	7.3
135.11708	16.3
137.13269	6.2
138.18269	3.5
147.11726	11.3
149.13251	12.7
151.11089	4.8
159.11598	3.4
161.13245	4.5
175.14856	7.0
191.17938	14.1
193.15878	26.8
231.21022	4.1
247.20537	5.8
249.18500	4.2
257.09186	4.0
263.92175	4.2
272.69156	3.6
285.25665	4.6
353.28455	6.9
423.36218	100.0
441.37155	26.7
486.42572	6.2
486.48645	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	485.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.5
54.19477	1.1
55.01888	2.7
55.05511	11.2
57.03428	3.8
59.04995	1.6
61.02912	1.9
65.03941	2.1
67.05488	6.6
69.03433	13.9
69.07052	5.4
69.33447	6.8
69.33878	4.2
71.05002	6.9
73.02891	3.4
73.06544	3.5
74.86013	1.4
75.30662	1.3
79.05489	9.7
79.91480	1.2
81.03421	13.7
81.07054	31.6
81.07531	1.8
83.04957	2.2
83.08598	2.3
85.02911	23.4
85.06535	3.6
86.03222	1.9
87.00831	8.4
91.05483	12.8
93.07034	12.0
95.04950	5.2
95.08603	9.9
96.23660	1.1
97.02879	10.0
97.06526	5.2
97.10189	2.9
99.04448	2.8
103.05528	1.8
105.01869	3.8
105.07031	63.8
106.06538	3.4
107.08585	11.9
109.02872	10.1
109.06519	2.5
109.10182	6.0
115.03883	1.9
115.72032	1.2
117.01784	1.3
117.07015	4.9
119.08581	34.3
121.06505	2.8
121.10133	9.7
123.08057	2.0
123.11713	4.7
125.09632	13.6
127.03915	13.4
129.01846	1.5
129.07014	2.4
131.08563	5.4
132.04781	7.3
132.09378	1.9
133.10118	11.3
134.52219	1.3
135.08047	1.5
135.11702	2.9
137.06006	2.3
137.09589	6.4
142.07782	1.4
143.08551	3.0
143.10658	8.5
144.09317	1.3
145.04959	6.3
145.10135	13.9
147.11688	100.0
148.12041	1.3
149.13226	1.5
151.11069	1.6
155.08443	1.6
157.10191	5.9
159.02815	6.1
159.11711	10.8
161.09613	1.6
161.13206	4.2
163.11179	2.0
165.05487	1.7
167.10686	5.0
169.10072	2.0
171.11742	3.3
173.09586	1.7
173.13315	1.8
183.11671	1.3
185.13171	1.3
199.11119	1.4
201.16403	11.3
209.11687	1.8
213.03929	1.4
213.12877	1.2
215.25479	1.3
219.17447	11.8
231.05074	1.8
231.17511	2.0
233.11780	3.7
237.18596	1.4
243.17506	1.9
251.12865	1.7
337.12946	1.4
380.15353	1.6
412.82657	1.4
485.23190	1.7
485.31033	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	485.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.5
55.01864	3.2
55.05509	6.5
57.03425	1.6
61.02917	2.6
67.05490	2.8
68.99781	1.2
69.03439	9.4
69.07049	2.7
70.62482	3.3
71.05012	6.3
71.05355	1.4
73.02899	1.2
77.03923	1.0
79.05504	6.2
81.03416	10.9
81.06603	1.5
81.07065	25.0
85.02911	20.2
85.06561	1.2
85.57301	1.0
87.00832	9.1
91.05486	9.4
93.07063	10.5
95.04963	4.1
95.08628	5.5
97.02896	5.8
97.06564	1.2
99.04455	3.9
103.05431	1.4
105.01889	4.6
105.07041	67.5
107.08606	8.7
109.02885	8.5
109.10165	4.0
115.03899	1.4
117.07020	4.4
119.08591	34.7
121.06512	1.9
121.10141	6.9
123.08028	1.6
123.11704	2.8
125.09647	12.8
127.03936	11.3
129.01863	2.0
129.07034	1.8
131.08548	4.0
131.10558	1.0
133.10155	11.4
137.06058	1.1
137.09647	5.8
141.37770	0.9
141.99545	1.3
142.07747	1.4
143.08562	2.6
143.10699	9.7
144.09364	1.6
145.04945	3.1
145.10132	12.4
147.02884	1.4
147.11699	100.0
148.11972	1.9
155.08421	1.1
157.10121	5.6
159.02850	2.8
159.11710	10.9
161.13281	3.5
161.84540	1.0
167.10631	4.6
169.10071	1.5
171.11646	3.7
173.13272	3.1
175.11229	1.6
179.10657	1.7
183.11682	1.6
191.10724	1.8
195.11684	0.9
201.16403	11.8
203.18022	2.2
209.11690	2.4
211.14839	0.9
213.16360	1.7
219.17455	9.2
229.15883	1.5
231.04948	2.2
233.11803	3.3
251.12750	1.1
259.20779	1.0
355.13928	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	11.2
55.01868	9.7
55.05511	30.9
57.03431	8.7
57.07068	7.1
59.07935	3.5
61.02901	8.0
66.89434	3.5
67.05506	31.4
68.99778	9.9
69.03432	50.7
69.07071	18.6
69.28917	34.6
71.04993	34.8
73.02895	7.0
79.05502	23.3
80.10889	3.5
81.03417	57.6
81.07059	98.1
83.04976	17.2
83.08590	7.5
85.02436	6.6
85.02908	80.4
85.06520	11.5
87.00831	34.4
91.05486	24.6
93.07043	56.8
95.04961	13.6
95.08611	39.6
97.02904	29.7
97.06525	18.1
97.10164	7.6
99.04455	23.0
99.08083	11.6
105.01852	19.6
105.07030	84.9
107.04938	4.4
107.08601	68.3
109.02871	63.0
109.06499	14.4
109.10167	48.6
109.76409	3.7
111.08070	8.2
115.03913	6.5
116.22593	4.3
117.01834	4.5
117.07009	11.5
119.07821	5.3
119.08591	54.3
121.06519	8.7
121.10133	42.5
123.08050	10.8
123.11681	33.3
125.09629	12.8
127.03925	67.9
127.07563	12.0
127.11154	12.6
127.41486	3.7
129.01842	8.2
131.08554	17.3
133.10129	68.0
135.08044	6.7
135.11722	25.0
137.05966	6.7
137.09607	12.3
142.07835	4.3
143.08484	5.4
143.10637	11.9
145.04936	9.6
145.10130	36.7
147.11696	88.4
149.09613	14.0
149.13229	11.6
151.11194	20.2
153.12758	5.2
155.10704	4.8
157.10095	13.1
159.02863	15.0
159.11717	33.4
161.13264	16.4
163.11140	11.8
165.12709	5.2
167.10757	5.2
171.11581	4.4
173.04471	8.8
173.09866	4.7
173.13303	8.4
175.14783	8.2
177.05511	5.7
177.16481	4.3
191.17957	12.5
193.15765	5.9
201.16428	29.0
203.17889	5.0
219.17426	100.0
231.05040	10.4
231.17471	6.8
237.18518	27.4
257.82678	4.0
259.01755	3.8
259.04446	8.8
268.22931	4.1
286.74911	4.1
331.58929	4.3
485.21738	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	485.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	11.1
55.01865	14.6
55.05516	26.4
57.03439	6.3
58.09209	5.5
59.04999	7.4
61.02921	13.4
66.25752	5.2
67.05499	31.0
68.99786	9.8
69.03430	52.0
69.07067	13.5
71.00121	6.8
71.04997	35.4
71.05314	6.6
71.08449	11.2
71.08789	6.2
73.12492	6.1
76.85803	5.7
79.05483	23.6
80.61577	5.7
81.03419	61.2
81.06683	6.1
81.07066	76.6
83.04976	44.6
85.02905	77.9
85.06549	9.1
87.00822	36.9
91.05492	28.4
93.07040	68.6
95.04944	14.0
95.08622	47.8
97.02901	36.4
97.06511	26.5
99.04444	12.6
99.08099	9.1
105.01851	19.1
105.07034	77.1
107.08583	48.8
109.02880	40.9
109.06513	16.0
109.10162	50.1
111.08069	6.6
117.01870	5.6
119.07955	5.4
119.08601	65.8
121.10153	99.2
123.08094	12.2
123.11716	33.9
125.09613	20.6
127.03916	74.3
127.07552	12.4
127.11144	13.4
129.01768	7.4
131.08553	18.7
133.10144	94.3
135.07967	7.4
135.11691	28.2
137.09641	9.4
139.11119	7.9
143.10643	12.0
145.04974	17.6
145.10143	44.0
147.11688	77.0
149.13269	9.0
151.11179	30.4
157.10130	14.6
159.02882	20.5
159.11671	28.2
161.13229	12.2
163.11162	11.2
173.13339	7.3
175.11127	7.2
175.14821	7.6
191.18056	10.6
193.15854	10.5
194.98436	6.0
201.16467	29.4
203.17993	8.5
207.17336	7.4
219.17445	100.0
231.05119	13.0
237.18491	35.5
259.04407	6.6
346.28250	5.4
423.26517	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	485.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86077	5.0
53.03944	12.3
55.01884	7.5
55.05522	24.6
57.03429	7.1
59.04998	5.4
61.02919	11.2
66.55064	4.5
67.05521	32.2
68.13953	4.5
68.99793	5.9
69.03440	45.8
69.07054	14.9
70.21939	18.9
71.04991	30.4
73.02919	9.3
79.05511	29.2
81.03426	73.2
81.07061	90.1
83.04987	30.3
83.08613	7.3
85.02916	88.2
85.06540	7.6
87.00810	29.6
91.05485	34.4
93.07056	60.6
95.04962	16.1
95.08604	46.6
97.02911	27.0
97.06537	21.4
99.04465	21.6
99.08110	14.9
105.01855	13.5
105.07049	77.1
107.04942	4.9
107.08599	52.9
109.02884	56.8
109.06503	13.3
109.10182	47.9
111.08104	9.9
117.01839	6.6
117.07036	13.0
118.32583	5.1
119.08589	53.4
121.06493	5.1
121.10163	61.2
123.08049	11.1
123.11745	25.9
124.02155	5.9
125.09650	12.1
127.03941	57.4
127.07577	15.3
127.11195	16.6
131.08580	26.5
133.10144	100.0
134.10516	6.4
135.11720	28.2
137.05965	9.3
137.09618	9.5
145.02847	5.8
145.04961	11.0
145.10147	38.1
147.11713	69.0
149.13251	11.1
151.11211	21.7
153.12767	11.8
155.10690	8.4
157.10103	11.7
159.02914	10.0
159.11705	33.8
161.13269	12.8
163.11180	9.1
163.14861	6.6
165.12814	5.1
171.11710	8.9
173.04453	8.7
173.13275	10.6
175.07628	4.9
175.11278	6.8
175.14949	5.9
177.05487	8.9
191.17978	6.0
197.96263	5.9
201.16409	29.5
201.96725	5.6
203.17964	5.6
204.70700	5.2
213.03909	6.6
219.17493	72.4
231.05023	6.8
237.18524	38.3
485.20032	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.2
53.48270	1.5
55.01868	2.7
55.05507	12.0
57.03442	2.3
57.07066	1.5
59.99110	1.6
61.02916	4.0
67.05515	7.9
69.03448	11.6
69.07062	5.8
71.04986	5.1
73.02901	2.4
73.06573	3.1
79.05498	11.4
81.03412	11.2
81.07063	29.7
83.04942	1.8
83.08636	3.6
85.02909	28.0
87.00830	9.9
91.03924	1.8
91.05484	17.7
93.07056	15.4
95.04969	8.0
95.08609	10.9
96.08131	4.1
97.02898	10.3
97.06530	4.9
97.10149	2.8
99.04457	3.1
99.08060	1.5
105.01869	4.9
105.07037	59.9
106.06561	2.4
107.06920	1.4
107.08582	15.8
107.43773	1.4
109.02888	8.5
109.06530	2.3
109.10171	7.9
111.04443	1.7
114.09199	2.6
115.03934	2.3
117.01852	1.7
117.07047	3.1
119.08577	37.6
119.09385	3.0
121.06514	2.7
121.10149	9.9
123.08076	2.5
123.11759	3.1
125.09630	13.8
127.03918	15.5
127.11132	1.7
128.06248	2.0
129.06947	1.7
130.05034	1.7
131.08566	7.2
132.04782	7.0
133.05205	1.6
133.06490	1.5
133.10127	12.4
135.11674	3.0
137.05981	2.2
137.09607	6.4
139.03883	1.4
139.11104	2.1
142.07730	2.2
143.08589	3.9
143.10672	7.6
145.05013	7.5
145.10136	12.8
147.11694	100.0
148.11964	1.8
149.13200	1.7
151.11209	2.0
155.08537	2.1
157.10132	8.9
159.02850	3.2
159.08018	1.7
159.11690	13.9
160.09700	5.0
161.13292	6.8
163.11143	2.1
163.14841	2.5
167.10696	3.9
171.11711	4.1
173.09599	2.5
173.13260	4.3
175.05289	1.8
175.11148	1.7
183.11870	2.0
183.16779	1.6
185.09731	1.7
185.13222	1.6
201.16434	9.8
203.17929	1.7
209.11630	2.9
213.16478	3.0
215.18004	1.6
217.15938	1.5
219.17461	10.4
231.17519	3.3
233.11685	2.0
243.17464	3.1
251.12758	2.3
258.17047	10.8
259.17267	10.5
275.20673	1.7
441.22928	3.7
467.20581	3.4
485.22147	3.8
485.31940	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	485.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.1
53.64884	1.9
55.01863	2.9
55.05512	16.0
57.03429	6.1
58.56755	2.1
59.04995	5.7
61.02918	3.3
67.05489	5.9
69.03428	23.5
69.07070	6.4
70.75004	4.8
71.05001	14.9
72.83656	2.3
73.06561	19.0
74.06902	2.7
79.05501	16.9
81.03424	11.7
81.07053	35.1
83.01311	2.3
83.04976	4.7
83.08609	3.0
85.02430	4.1
85.02908	42.6
85.06543	4.7
86.03249	5.0
87.00822	7.5
87.04485	2.5
91.05485	22.4
93.07036	13.5
95.04963	5.1
95.08624	13.4
97.02899	24.0
97.06557	5.4
97.10165	3.4
98.03244	2.7
99.04486	4.2
105.06314	3.1
105.07030	62.9
106.06551	15.2
107.06878	5.0
107.08594	23.7
109.02895	5.5
109.10134	6.5
115.03957	4.8
117.07024	5.4
119.04953	2.5
119.08578	41.2
121.06503	6.1
121.10155	10.8
122.09685	2.8
122.90276	2.3
123.08051	2.9
123.11698	4.8
125.09623	25.9
127.03927	13.9
129.07005	3.4
131.08562	5.0
132.04800	38.3
133.05074	9.1
133.10146	18.8
135.11723	4.3
137.05968	13.2
137.09624	9.7
143.08621	3.0
143.10680	36.5
145.04961	10.6
145.10147	16.5
146.05255	3.6
147.08052	2.6
147.11691	100.0
155.08514	2.6
157.10141	9.2
159.11719	12.9
161.13210	5.4
163.07516	3.3
167.10735	2.3
173.13268	3.1
175.05391	2.4
201.16496	13.3
202.10884	2.2
203.18031	3.0
217.10132	3.1
219.17496	13.5
231.04919	4.1
297.04224	2.2
327.19632	2.3
380.15631	7.3
485.23438	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	485.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84147	1.5
53.03947	4.8
55.01873	4.9
55.05510	7.2
57.03435	2.5
61.02925	3.5
67.05499	1.8
69.03435	14.8
69.85703	3.4
69.86101	4.2
71.04987	6.8
73.02893	1.8
73.06549	9.1
79.05486	6.0
79.74899	1.7
81.03415	13.1
81.07063	23.7
85.02914	30.9
86.03265	1.9
87.00837	10.4
91.05489	15.8
93.07053	9.6
95.04980	6.1
95.08623	5.7
97.02895	10.7
99.04495	2.5
102.86941	2.2
105.01870	3.5
105.07038	64.9
106.06560	7.0
107.08615	10.6
109.02893	6.6
109.10152	5.2
115.03941	2.2
117.01902	2.2
117.07024	4.0
119.08594	39.7
119.09386	3.3
121.06564	3.0
121.10170	6.3
123.11684	2.0
125.09647	12.6
126.30643	1.6
127.03902	13.8
130.07854	3.0
131.08586	4.9
132.04817	19.9
133.05180	3.8
133.10147	10.6
137.05991	2.8
137.09616	4.4
143.08571	3.3
143.10677	8.2
145.04948	7.1
145.10170	11.1
147.08037	1.8
147.11696	100.0
151.11223	2.0
157.10132	6.1
159.02960	3.6
159.11726	10.9
161.13246	4.7
162.57002	1.8
167.10719	5.8
169.10213	2.5
171.11729	4.3
173.13242	2.1
183.11588	2.6
189.08853	1.8
201.16319	12.4
203.17929	3.0
209.11734	3.3
213.16313	2.9
217.10062	2.8
217.15967	1.9
219.17410	12.4
231.17384	2.6
233.11877	4.0
282.61838	1.7
327.80862	1.9
339.99240	2.1
343.59070	1.7
362.66174	1.8
370.10214	1.8
379.15436	2.2
380.15543	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	484.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62326	1.0
55.05506	1.7
56.25051	1.0
56.74128	1.1
57.07062	3.4
67.05509	1.8
69.07059	4.6
70.06564	1.7
70.37380	1.2
70.67306	2.4
70.67678	2.4
71.08631	2.1
71.20576	1.1
73.06519	1.1
81.07052	8.1
83.08625	2.8
85.02921	2.1
88.07639	1.9
91.66900	1.2
93.07043	6.2
95.08603	16.6
97.10152	1.9
105.07013	2.8
106.06557	1.6
107.08591	11.2
109.10155	11.2
111.70545	1.1
116.85075	1.2
117.31494	1.0
119.08580	3.2
121.06547	1.5
121.10147	13.5
123.11694	3.2
131.08618	1.7
132.04808	2.3
133.10146	2.0
135.08041	2.9
135.11687	15.7
137.13289	2.3
145.10121	2.8
147.11696	1.5
149.09608	2.1
149.13240	6.8
159.11655	1.6
163.07550	4.8
163.14861	8.2
187.14864	1.3
189.16441	2.2
191.17952	100.0
200.20039	2.8
205.15871	7.2
228.23270	2.9
233.15367	40.4
249.18556	1.4
251.16492	2.9
261.18500	2.2
283.26422	3.1
303.23300	1.9
311.29340	2.8
315.23016	1.7
422.08395	1.4
439.35748	78.6
440.35956	1.6
484.47278	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	485.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.7
54.65664	1.4
55.01869	3.3
55.05511	7.8
56.05547	1.4
57.03430	2.9
59.99096	1.9
61.02913	2.6
67.05477	2.2
68.41967	1.6
69.03431	8.7
69.07047	2.8
69.16060	15.5
71.04980	6.4
72.08141	2.0
73.02909	2.6
73.06557	8.0
79.05476	6.1
81.03412	13.0
81.07066	23.4
85.02911	24.6
86.03233	1.4
87.00826	6.2
91.05486	9.5
93.07064	8.1
95.04962	3.3
95.08602	5.3
97.02905	9.8
97.06522	2.9
98.20749	2.7
99.04465	3.1
105.01853	4.5
105.07035	58.4
106.06547	6.3
106.07272	1.7
107.06881	3.0
107.08594	11.0
109.02914	8.8
109.06526	1.7
109.10134	3.1
115.04012	2.2
117.06984	2.2
119.08595	31.7
121.10105	5.7
123.08112	1.9
123.11726	3.6
125.09634	11.5
127.03903	13.1
128.06213	1.9
129.01810	2.6
131.08575	3.6
132.04813	18.8
133.05098	4.3
133.10159	10.6
137.09622	6.3
139.11166	1.5
143.08554	3.7
143.10646	9.1
144.09357	1.7
145.04964	5.7
145.10121	11.4
146.05301	1.8
147.11694	100.0
157.10118	6.8
159.02876	4.2
159.11697	10.1
161.13257	4.9
167.10655	5.1
171.11655	2.8
173.09674	1.8
173.13252	1.7
182.97160	1.6
183.11879	1.9
185.13310	1.8
191.10693	1.7
201.16422	10.3
209.11649	3.2
217.10225	2.0
218.10329	1.4
219.17442	8.2
225.16335	1.5
231.17305	1.5
233.11667	3.9
380.15613	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.4
57.06797	1.4
57.07079	26.4
59.04991	1.4
61.02930	0.9
69.03391	1.0
69.07046	2.5
69.45629	6.8
71.08637	28.2
73.06554	7.4
79.05467	1.6
81.07071	1.1
83.08591	3.6
85.02907	3.6
85.10189	26.3
87.04463	3.8
88.31358	0.8
89.06038	100.0
89.63693	1.0
91.07570	1.0
91.63231	1.1
95.08577	1.4
97.10155	0.9
98.20683	1.7
99.11738	2.4
106.06567	1.5
107.07077	1.7
108.86684	0.8
109.10112	0.9
117.09172	4.4
119.04974	0.9
126.00397	0.9
130.08574	1.5
131.07042	1.0
132.04811	4.3
133.08615	46.0
141.16405	4.0
177.09732	0.8
177.11235	16.8
185.18968	4.5
187.16499	0.9
217.09976	1.3
221.13814	3.1
229.21692	9.6
237.17772	0.9
239.14857	1.6
273.24243	4.2
283.17523	1.8
311.29504	1.6
327.20203	7.9
379.30423	1.1
423.33072	1.6
467.35843	13.3
484.37433	4.1
484.47131	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	484.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.4
55.05509	1.6
56.05037	0.4
57.03442	0.2
57.07074	1.4
58.89496	0.2
59.04986	0.3
67.05509	3.1
69.03416	0.2
69.07067	2.6
71.08636	0.3
71.49244	0.3
73.06552	0.9
79.05491	1.9
81.03413	0.3
81.07054	9.7
82.06554	0.3
83.08608	1.5
85.02905	1.2
88.07597	0.2
89.06018	0.2
91.05475	1.3
93.07046	3.7
94.06559	0.3
95.08606	13.8
96.08907	0.2
97.02878	0.4
97.06461	0.3
97.10166	0.9
102.05567	0.4
103.98982	0.2
105.07056	1.2
106.06572	1.2
107.07410	0.2
107.08597	6.1
108.08134	0.7
109.10154	5.3
110.09715	0.3
111.11736	0.2
112.07598	0.4
114.69759	0.2
119.08578	1.6
120.08102	0.5
123.11704	4.0
124.11243	0.4
127.03882	0.2
132.04784	1.8
133.10136	1.1
134.09645	0.4
135.11685	3.9
136.11137	0.4
137.13251	4.6
145.05011	0.5
145.10124	0.3
146.09702	0.3
147.11688	0.9
148.11148	0.2
149.13248	2.8
151.14825	0.8
152.07048	0.6
152.10696	0.3
154.08635	0.6
156.06607	0.3
159.11674	0.2
161.13295	0.8
163.14819	2.5
163.74570	0.2
164.10753	0.5
166.08640	1.6
166.12297	1.9
175.14847	0.6
177.16313	0.5
183.61482	0.2
184.07402	0.3
188.14442	0.2
189.16408	0.6
191.17967	0.5
196.09677	2.2
198.11243	7.1
202.02780	0.2
203.17979	0.5
205.19536	0.7
210.11252	23.3
211.11577	0.3
217.10107	0.4
217.19513	0.5
231.21088	0.6
236.12843	0.6
264.15964	0.9
278.17453	0.3
280.18964	0.3
283.26392	0.3
287.27319	0.4
311.29819	0.2
320.22104	0.3
332.22037	0.3
366.60968	0.2
379.15210	0.3
440.34598	0.3
484.37857	100.0
485.32126	0.4
485.38321	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	484.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.2
55.05492	3.0
57.03438	1.2
58.51873	0.7
59.04990	0.7
60.04514	2.6
61.02915	1.8
67.05512	4.0
68.88429	0.8
69.03406	2.5
69.07069	1.7
70.06568	1.0
71.04990	1.0
71.08635	8.2
71.49634	0.6
72.08139	1.8
73.06561	7.9
79.05482	3.6
81.03384	2.3
81.07035	2.7
82.06591	0.9
84.04487	3.1
85.02914	13.2
85.06558	1.2
86.06093	0.9
86.09724	1.4
88.03969	2.2
91.03944	1.2
91.05468	2.0
93.07037	4.4
95.04937	1.3
95.08592	1.3
96.07573	1.1
96.08142	11.8
97.02917	4.0
97.06516	2.9
98.06039	2.7
99.08102	4.7
101.05941	0.7
105.06998	0.9
106.05035	1.5
106.06551	6.5
107.08585	3.2
108.08134	1.3
109.02885	1.8
111.00501	0.9
111.04463	1.6
112.07587	2.3
113.08385	2.0
114.09177	11.2
115.08681	0.7
119.08565	1.2
121.10111	2.6
122.09694	1.4
123.08100	0.7
124.07599	10.1
125.05997	2.0
126.09129	0.8
127.03915	3.1
130.05028	6.8
130.08653	1.5
132.04797	16.6
132.78030	0.7
133.10124	0.8
134.09660	1.8
135.11690	3.1
137.05969	2.0
138.09125	2.0
140.07182	0.8
142.08646	11.5
145.05026	3.7
145.10143	2.1
157.13406	0.9
159.11691	1.2
160.09705	20.3
163.11165	3.5
164.14363	2.2
166.15935	4.6
168.10776	0.8
181.12294	1.3
194.15456	4.2
201.16360	1.4
212.16489	13.9
217.10043	3.0
240.15915	9.7
258.17029	100.0
259.17331	1.2
340.21335	0.9
379.15430	3.0
386.21671	6.6
467.38898	0.8
484.22134	1.5
484.29761	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	484.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.5
55.05508	1.8
56.05035	0.5
57.03436	0.3
57.07064	1.4
59.04995	0.8
67.05506	3.1
69.07076	2.8
71.08637	0.8
73.06612	0.3
79.05490	2.0
80.05054	0.4
81.06597	0.5
81.07060	8.0
83.08617	1.8
85.02909	0.5
89.06023	0.5
91.05453	1.0
93.07041	3.8
95.08610	14.9
97.10181	1.0
98.20748	0.7
102.05540	0.5
102.79327	0.3
105.07054	1.6
106.06549	0.6
107.08600	4.8
109.08954	0.4
109.10156	5.6
111.11784	0.3
119.08569	1.3
120.08082	0.3
123.11719	3.6
124.11224	1.2
132.04788	1.7
133.10129	0.9
135.11713	3.2
136.16798	0.3
137.13277	4.4
137.14272	0.5
138.12752	0.3
146.09689	0.3
147.11646	0.8
149.13275	2.6
151.14838	0.6
159.11661	0.4
161.13219	0.8
163.14804	2.6
166.12260	2.5
175.14818	0.5
178.05809	0.4
184.09683	0.4
189.16463	0.6
191.17953	0.5
196.09711	1.9
198.11258	11.6
203.17966	0.6
205.19627	0.4
210.11264	22.6
217.19543	0.3
222.11333	0.6
231.21089	0.5
264.16028	0.9
385.45651	0.3
452.55569	0.3
455.24350	0.3
484.37872	100.0
485.38318	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	484.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.5
55.01862	2.6
55.05513	8.9
55.73806	0.7
56.85558	0.7
57.03426	3.4
58.17216	0.7
58.89669	0.6
59.99111	5.1
60.87447	0.7
61.02928	7.1
69.03432	16.0
69.87672	1.8
69.88085	1.8
69.95861	0.7
71.04986	2.2
72.08160	7.6
73.02906	2.9
73.06560	39.1
79.05484	1.2
81.03426	6.5
83.01351	1.2
85.02909	58.5
85.07690	1.5
86.06084	3.5
87.04475	1.6
91.03955	3.2
97.02900	16.9
99.04465	2.1
102.99699	0.8
106.06562	39.3
109.02885	5.1
115.08688	4.5
116.07076	1.0
127.03925	11.2
132.04796	100.0
134.06078	3.8
141.06615	1.5
145.05003	20.2
157.13377	4.7
163.05931	3.5
175.05386	5.8
191.11830	2.1
208.05418	1.6
217.10086	14.4
219.97691	0.9
250.10158	1.3
280.11273	1.9
309.03687	0.9
354.73035	0.8
379.10345	1.2
379.15302	21.0
379.19785	1.4
484.21240	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.0
55.01865	1.5
55.05513	9.5
57.03437	4.2
59.99107	3.8
61.02930	6.9
61.04045	0.8
67.05521	0.8
67.64432	0.7
67.68889	0.6
69.03091	1.1
69.03436	15.0
69.07049	0.8
70.94201	1.3
71.04983	2.7
72.08160	4.9
73.02924	1.7
73.06559	37.5
79.05498	1.8
79.44423	0.7
81.03419	8.2
83.01338	0.8
85.02909	59.3
85.07667	1.3
86.06075	3.4
87.04480	1.8
88.46815	0.8
89.04251	1.5
91.03963	4.4
91.05463	0.9
93.07063	1.0
95.08667	0.8
97.02892	19.6
97.06522	1.3
99.04477	4.1
102.00134	0.7
102.99654	0.6
105.07040	1.0
106.06558	38.1
109.02887	4.1
115.08694	4.9
116.07105	1.5
116.96042	0.6
122.06038	1.1
122.09629	0.9
123.44688	0.7
127.03918	12.8
132.04797	100.0
132.93057	0.7
134.06017	2.8
141.06630	0.9
145.05000	19.2
150.05519	3.0
156.90807	0.7
157.13347	4.3
159.02887	0.7
163.03899	0.8
163.06050	2.9
175.05386	4.5
177.16357	0.7
184.07375	0.9
190.16525	0.7
191.11794	1.7
198.75705	0.6
206.23514	0.7
208.05473	2.8
217.10057	14.4
217.11938	1.2
217.15878	1.0
250.10081	1.1
268.06021	1.3
280.11292	1.8
287.19165	0.7
339.95505	0.7
379.15387	22.8
440.16882	1.6
455.63620	0.7
484.21454	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	484.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	26.8
55.05529	1.1
56.05033	2.5
61.36037	1.2
67.05527	1.1
67.51769	1.1
69.60797	5.7
70.06599	1.9
71.50457	1.1
73.06543	2.4
74.00664	5.6
76.02241	1.7
76.03992	2.5
80.72492	1.1
82.06585	2.3
83.06106	9.6
84.04507	66.7
85.02908	4.1
85.04079	1.3
97.02901	1.3
98.21529	1.8
99.05576	7.9
102.05595	1.2
106.06528	1.8
107.06080	5.8
109.07622	4.9
110.06023	2.2
110.99023	3.4
112.03967	22.7
114.05511	1.1
121.02831	1.3
123.04440	2.0
127.03954	1.2
127.04961	1.3
129.06618	11.0
130.05003	100.0
132.04782	3.9
137.05992	1.5
145.05058	2.3
145.06091	11.5
149.02341	2.3
150.03098	1.2
153.06587	16.3
155.08165	9.4
162.98483	2.5
163.03896	4.9
164.07027	1.1
165.00089	3.9
177.01830	1.3
178.02640	3.8
179.03392	25.7
179.04918	1.6
180.99539	62.6
181.06085	3.1
195.01181	2.0
199.07126	17.4
203.10706	2.0
207.01111	8.0
208.99040	35.6
209.01044	2.0
211.00610	67.4
211.07234	1.5
235.00676	8.9
236.09267	3.3
250.72739	1.1
252.03244	28.4
257.07669	3.7
280.02863	1.4
318.04208	2.4
329.55457	1.2
338.03278	47.5
355.05933	56.5
356.06580	1.2
363.06348	1.9
378.36014	1.2
391.05905	1.5
409.01584	2.2
409.07007	45.2
421.07059	10.5
466.09415	1.6
467.07486	3.1
484.10062	15.3
484.15509	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2573
Annotation	Val His Leu Asp
Peak:m/z	Relative Intensity
53.03941	0.5
55.01870	0.4
55.05508	0.8
67.05503	1.3
69.03433	0.7
69.07068	1.3
71.04980	0.4
71.48930	0.5
79.05503	0.7
81.03423	1.2
81.07056	1.5
83.04988	0.6
85.02901	1.0
86.09702	0.6
91.05490	1.6
93.07039	1.3
95.04976	0.6
95.08609	1.5
97.02876	0.8
97.06542	1.2
105.07033	1.4
107.08596	1.3
109.02874	0.4
109.10150	1.2
109.62164	0.4
111.08054	0.6
119.06276	0.4
119.08559	0.9
121.06526	0.4
121.10124	0.7
122.09660	1.0
129.07007	0.4
130.06833	0.4
131.08603	0.7
133.10147	1.1
135.11674	0.5
137.06006	3.5
147.11722	1.1
149.09628	0.4
153.12785	0.4
161.05937	0.7
217.15947	0.8
235.16937	0.7
284.08432	0.4
321.20450	0.7
376.73251	0.5
441.18210	0.9
483.25671	100.0
484.26196	3.0
502.10281	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.6
55.05519	26.1
57.03427	7.4
57.07073	16.5
58.64717	3.4
59.05008	16.4
61.42621	2.9
66.65047	3.6
67.05492	10.3
69.07063	30.0
71.08620	10.9
71.49010	6.4
71.66439	3.8
79.05480	11.0
81.07040	9.4
83.08609	25.7
87.04469	3.9
89.06049	4.5
91.05450	5.5
93.07050	6.6
94.18015	4.1
95.08584	9.5
97.06514	6.7
97.10177	21.0
98.98476	16.9
105.07030	16.6
107.08573	5.0
109.10145	5.0
119.08460	3.8
120.68487	3.6
121.06476	4.9
121.10111	6.9
132.04785	6.7
133.08585	5.4
135.11671	5.2
155.01038	10.3
161.63841	3.2
184.07356	16.2
189.19788	3.7
235.18797	3.3
311.25803	100.0
332.80780	3.8
443.79568	3.8
483.25763	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46257	0.4
53.03955	0.4
55.05487	1.5
67.05476	1.4
69.03413	1.3
69.07080	2.3
71.04978	0.7
71.49014	0.7
79.05505	2.5
81.03395	1.3
81.07060	3.8
83.04963	0.6
83.08606	0.8
85.02884	1.7
85.06512	0.8
91.05473	1.9
93.07045	3.7
95.04971	0.8
95.08612	5.4
97.02882	0.8
97.06532	1.2
97.10166	0.8
105.07009	1.6
106.06538	0.5
107.08595	5.3
109.02850	0.7
109.06495	1.0
109.10152	2.2
111.08066	0.8
119.08551	1.5
121.10164	7.0
122.09618	0.6
123.11669	0.5
127.03954	2.0
129.06898	0.4
131.08582	0.6
133.10097	0.7
135.08009	0.4
135.11662	2.1
137.05963	1.2
137.13235	0.9
141.06709	0.4
147.11749	0.7
149.09642	0.8
157.10130	0.5
159.11732	0.7
161.13362	0.6
177.16359	1.0
185.04213	0.7
193.12373	0.5
203.05252	2.0
217.15941	0.5
227.05206	1.0
235.16902	0.6
245.06375	5.6
271.04193	1.0
274.97394	0.5
287.03946	0.5
289.05316	100.0
290.05649	1.4
308.05444	0.6
321.24185	0.6
379.11835	0.7
439.23187	3.5
465.20761	2.8
483.22031	56.2
484.22372	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46697	1.2
55.05503	1.9
57.07077	69.7
67.05484	1.7
67.31707	1.2
67.35479	1.1
69.07063	9.5
69.37678	2.2
69.38084	8.1
71.08633	61.0
73.06536	2.7
82.14160	1.3
83.08634	3.8
85.10186	30.6
87.04472	4.3
89.06031	100.0
91.07574	1.4
91.33210	1.2
97.10164	3.6
99.11720	8.2
105.07044	4.8
111.11729	3.9
113.13267	6.5
117.09131	2.4
125.13329	1.9
127.14839	3.8
133.08611	63.9
175.81276	1.4
177.11221	28.3
177.12708	1.9
184.07326	1.5
195.12283	4.5
221.13925	2.8
239.14969	3.1
243.70686	1.3
271.26263	3.1
283.17532	32.9
283.20410	1.2
313.04205	1.8
315.28806	2.5
338.42007	1.3
377.32248	1.9
421.35071	2.1
465.31882	2.3
465.37888	25.5
494.08804	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.0002
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17680	0.9
56.96554	1.2
59.45056	0.8
69.82425	3.3
69.82851	1.4
98.97580	12.7
107.20899	0.9
116.98634	4.6
134.99687	1.8
156.96642	1.9
173.22827	0.9
173.94768	0.8
174.97656	7.2
180.20290	0.8
190.95557	1.7
192.98749	2.5
196.94553	1.1
198.97641	1.0
214.95659	13.8
216.98734	6.0
232.96707	18.3
234.99780	5.6
236.06543	0.8
238.95633	2.5
239.57956	0.9
240.98930	2.4
242.98880	0.9
246.99832	0.9
247.95433	1.1
250.97766	7.1
256.96701	51.4
257.96930	2.1
258.99890	8.2
259.99747	0.9
274.97742	57.4
275.97769	2.6
277.00919	4.2
280.96521	4.0
282.99966	8.4
284.00098	1.8
284.99924	1.4
286.99698	0.9
292.98880	6.6
298.97748	93.8
299.97891	4.2
300.98087	1.1
301.01074	10.3
303.00873	1.4
314.95706	2.1
316.98810	100.0
317.98978	4.7
332.96695	1.2
334.99875	3.2
340.00494	1.2
340.98892	4.0
358.99829	6.9
374.97794	3.9
380.96896	1.0
398.97998	6.1
401.01178	0.9
415.62604	0.9
416.98917	8.9
417.99359	1.2
422.97598	6.3
425.01208	1.2
440.98923	96.3
441.99203	6.9
443.02261	1.1
447.01852	0.9
458.99973	79.1
460.00076	5.2
482.01385	2.9
482.92953	1.5
483.00305	4.8
500.97870	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12097	1.2
52.75114	1.2
53.17825	1.3
56.96548	4.5
60.73059	1.2
68.20899	1.3
69.03444	1.6
70.85448	2.6
77.00891	1.2
82.99838	2.6
85.02898	2.4
97.02872	2.1
98.97566	4.5
101.00880	23.7
110.97616	1.4
113.00893	6.0
116.98621	1.7
117.03323	1.3
119.01923	19.9
124.99133	3.3
126.01840	1.2
127.02421	3.9
131.01907	17.8
133.03471	2.4
135.04385	3.0
137.00879	2.6
137.05975	3.0
139.02386	2.0
140.98549	1.3
143.00127	3.5
143.01892	28.5
145.03531	12.0
147.01385	1.5
149.02811	1.6
155.01903	28.2
157.03493	6.1
158.99638	2.2
159.01349	1.3
161.01468	2.3
161.02946	20.2
163.03860	10.1
167.01871	15.4
169.03456	6.8
170.99646	3.5
171.05026	3.4
173.02963	39.9
177.02434	4.5
179.01866	6.0
181.03464	1.7
183.01381	3.4
185.01395	2.3
185.02946	46.7
187.04526	3.7
189.00819	1.6
191.04097	1.4
195.01445	1.5
197.02965	15.6
201.02451	73.6
202.02594	1.6
203.03967	11.7
209.02971	4.3
213.00558	1.9
213.02477	14.9
215.04085	9.4
219.03513	86.0
220.03847	2.3
221.03130	1.5
221.05202	1.5
225.02408	3.9
227.04007	12.0
231.01688	1.6
231.03516	13.5
233.05057	1.8
237.02570	2.2
237.04610	2.0
238.03421	1.5
242.05095	1.5
243.03474	3.8
245.05092	100.0
246.05293	1.7
249.02292	1.5
249.04738	6.4
255.03442	4.3
257.05084	5.9
261.04617	19.3
263.06219	12.7
267.03690	1.8
273.04645	2.0
275.06140	15.4
279.05655	4.0
285.04636	3.2
291.03778	3.0
293.07184	3.7
302.07327	1.3
303.05661	30.6
305.07208	9.6
309.04861	3.5
321.06711	38.0
335.08203	2.8
338.99289	1.3
339.07632	1.2
363.07916	1.5
365.09372	8.1
405.06949	3.5
421.81256	1.5
423.07986	2.5
483.11963	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08170	0.3
53.79102	0.4
69.83343	2.2
81.07036	0.6
87.14863	0.3
91.05466	0.4
93.00198	0.4
94.06554	1.0
98.21432	0.5
107.07306	1.7
110.91801	0.5
122.05998	1.1
122.09676	13.6
136.07581	2.1
144.08151	0.4
150.09103	1.5
155.05974	0.4
159.59956	0.4
164.07024	0.5
169.07608	0.6
170.08353	1.2
171.09239	0.9
172.09900	0.5
183.09206	2.7
184.09921	1.7
185.10811	2.6
187.08682	2.6
195.09178	0.7
196.09909	0.5
197.07111	3.7
198.07904	5.0
199.08693	0.6
200.09448	4.5
204.10185	1.1
211.08693	4.3
212.09464	5.4
213.10233	6.9
215.08118	1.5
225.06607	0.5
226.07320	1.7
229.05913	0.4
229.09763	2.1
231.11223	0.5
239.08157	4.1
241.09677	3.5
257.09225	59.8
258.09653	1.1
259.10770	1.3
261.08676	2.4
267.07718	0.5
269.09222	0.9
285.08707	79.4
286.08972	1.9
287.10211	0.6
313.08182	49.4
314.08493	1.4
319.12833	0.9
333.10809	0.6
345.10828	100.0
346.11099	2.9
450.16687	0.4
454.19669	1.3
464.18417	1.0
482.19284	20.3
483.19360	0.9
487.92471	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.4
56.05035	1.3
57.03444	0.8
57.07081	3.7
58.06579	2.2
59.07382	0.4
60.08167	17.4
67.05500	1.0
69.07060	0.7
70.44228	0.4
71.07373	6.5
71.08631	1.6
71.48759	0.3
71.49214	0.6
72.79768	0.3
79.05495	0.6
81.07056	1.1
83.08642	0.7
84.08154	1.0
85.10181	1.1
86.09708	51.5
91.05493	0.7
93.07078	0.4
95.08610	1.6
95.92480	0.3
98.98474	4.0
104.10748	100.0
105.11121	0.5
107.08577	0.7
109.10157	0.6
120.99471	0.3
125.00012	29.3
160.85605	0.4
163.01581	0.6
174.94791	0.4
182.83353	0.4
184.07349	98.6
185.07687	0.7
258.11032	1.0
299.25882	2.4
376.23499	0.4
405.24109	0.4
411.46890	0.4
464.31494	7.8
465.31863	0.4
482.32465	26.6
483.32568	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39517	0.4
51.75657	0.4
55.05505	1.1
57.07084	2.3
67.05492	1.5
69.07070	1.2
71.08619	1.0
75.84814	0.4
79.05485	1.3
81.07030	1.9
83.08616	0.8
89.06039	1.0
91.05486	0.7
93.07071	1.1
94.07378	0.6
95.08608	1.7
105.07053	0.7
107.08654	0.6
109.10159	0.9
121.10162	0.7
123.11743	0.5
133.06499	0.5
133.10152	0.5
149.09578	1.0
225.11307	0.4
234.35606	0.5
313.27332	0.9
315.28262	0.6
360.58920	0.4
400.08640	0.4
463.35559	4.3
481.36600	100.0
482.36841	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	481.3658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43154	0.2
55.05491	0.4
57.07067	0.5
67.05499	0.8
69.07047	0.2
71.08620	0.4
71.22360	0.5
81.07057	1.5
82.25987	0.2
85.10193	0.4
89.06057	0.4
95.08615	0.8
109.10183	0.3
123.11749	0.3
205.11998	0.8
255.17151	0.3
298.22641	0.4
463.35315	1.5
481.36557	100.0
482.36792	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	481.3654
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07083	1.0
67.05515	1.1
71.08628	0.5
71.49874	0.8
81.07051	2.1
83.08600	0.9
89.06034	0.8
109.10143	0.9
116.19281	0.6
118.96940	0.5
123.11709	0.6
133.08577	1.0
141.50725	0.6
298.76761	0.6
393.51181	0.6
481.36557	100.0
482.37119	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	481.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
53.24975	0.5
55.05509	1.2
56.96581	0.6
57.07074	0.6
58.06604	1.1
67.05502	1.0
69.03424	0.9
69.07075	4.9
70.06589	1.7
71.33804	0.6
71.48861	0.9
72.08144	2.3
77.28220	0.6
79.05493	1.2
81.07076	1.2
84.08117	1.0
85.02897	1.8
85.07674	0.8
86.09737	0.6
91.05480	1.8
95.04947	1.0
97.02887	1.0
98.97602	0.6
103.05485	0.9
105.07056	1.0
107.04938	0.5
109.02895	0.6
115.05440	1.6
117.07021	0.8
119.04974	0.8
120.08075	1.1
121.02891	1.8
122.02731	1.6
123.04440	3.9
127.03915	0.8
128.06252	0.9
129.07005	4.3
130.04144	0.7
131.04948	3.8
133.06503	1.0
136.06192	1.3
136.07588	1.0
137.06013	3.3
143.04939	2.0
143.08577	2.0
144.05727	0.8
146.05989	1.2
147.04417	4.7
147.08064	0.7
148.05159	2.4
149.06001	13.5
150.05511	1.1
151.06328	3.0
157.06505	4.4
160.05215	1.2
161.05989	19.0
162.06754	3.0
163.03903	1.2
163.07550	1.3
164.07080	33.1
169.06479	0.8
171.08086	2.5
171.11778	2.8
173.06029	1.2
175.06061	1.2
175.07559	21.1
175.09055	1.2
176.08325	0.6
177.05508	1.1
184.08762	1.0
188.08385	1.4
189.09134	2.2
199.11209	3.2
203.03383	0.6
211.84567	0.6
215.07112	0.7
217.12251	24.8
234.14922	100.0
235.15242	1.6
248.12869	3.9
260.00635	0.6
283.48563	0.6
289.08426	0.7
295.06268	0.6
321.07568	1.2
329.11725	0.7
333.07605	1.1
343.09256	4.0
349.06964	1.8
355.85635	0.6
375.08615	0.9
391.12054	0.7
397.09079	0.8
419.11279	0.8
481.11603	2.1
481.27124	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.6
55.01874	2.0
55.05506	4.3
57.03426	2.0
61.02916	1.5
61.97393	1.4
63.76927	1.4
67.05499	5.2
69.03426	6.0
69.07067	4.4
70.06605	2.7
70.66883	3.3
70.67233	2.7
73.02916	2.4
75.00156	1.5
79.05514	6.0
81.03415	10.0
81.07072	8.1
82.29359	1.4
83.04958	2.1
83.08633	3.0
85.02914	14.0
87.00829	4.5
87.04470	2.0
87.50919	1.4
88.07626	9.7
89.06041	2.9
91.05483	8.6
93.07040	6.2
95.08593	7.5
97.02895	5.8
97.06550	2.1
99.04459	2.3
100.11264	7.5
105.01881	3.4
105.07042	7.8
106.08653	6.7
107.08601	5.4
109.02890	6.2
109.10176	7.8
111.11750	2.7
118.99138	17.8
119.08601	5.6
120.04786	3.0
122.09653	2.3
123.08046	2.0
123.11676	2.1
127.03933	8.0
129.12744	2.3
133.08615	1.8
133.10144	7.2
135.11682	2.9
137.05989	33.7
137.09630	4.4
145.04985	3.4
145.10097	1.8
147.11719	2.1
155.10741	2.1
156.13872	1.9
156.96999	1.6
157.10123	2.3
159.02861	3.2
159.11584	1.9
161.03824	6.0
163.03856	2.0
165.12747	2.1
177.05469	2.0
177.11082	2.2
182.15442	2.4
189.10561	7.6
191.04852	6.9
203.05283	2.1
215.14207	2.3
232.18964	2.4
233.09596	6.1
233.11617	1.9
233.19476	3.3
245.06418	8.2
289.05313	100.0
290.05630	1.5
297.11313	2.4
300.08026	1.5
319.22748	5.7
403.38187	1.9
437.21729	3.7
463.19141	4.2
481.20520	50.3
481.37219	5.3
482.21310	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.0
53.05175	1.1
54.94902	1.2
55.01868	2.0
55.05516	1.7
57.03425	2.1
59.04992	1.8
61.02919	2.3
67.05513	5.9
68.99798	2.2
69.03090	1.4
69.03431	16.6
69.07076	3.7
70.51299	1.1
71.04979	3.6
71.48824	1.5
73.02919	1.9
79.05486	4.7
81.03426	12.4
81.07056	5.3
83.08639	1.2
85.02911	11.7
85.06544	3.5
87.00828	4.7
87.87695	1.3
91.05484	12.8
93.07051	6.7
95.04964	4.2
95.08637	6.7
97.02892	7.9
97.06494	2.4
99.04467	3.5
105.01892	2.9
105.07037	10.5
107.08607	6.4
109.02882	11.7
109.06529	4.8
109.10175	8.6
115.05474	1.7
117.01885	1.3
117.07005	2.9
119.08588	13.3
121.05154	1.6
121.06510	29.6
121.10169	4.6
122.09686	1.6
123.11720	1.5
127.03929	14.9
128.06267	1.8
129.01819	3.4
129.07043	2.9
131.08575	12.0
133.06535	2.3
133.10133	11.1
135.08037	5.0
135.11740	2.2
137.06012	4.1
137.09596	2.9
141.06966	2.0
143.08560	2.1
145.04956	1.9
145.06485	2.1
145.10126	14.1
147.02832	1.3
147.04401	1.4
147.08073	2.5
147.11678	3.1
149.02357	1.9
149.06010	1.8
149.09631	17.8
153.09032	1.5
155.08592	2.6
157.10127	2.8
159.02921	2.0
159.08063	100.0
161.09605	2.1
163.03941	2.8
169.10199	1.8
171.11687	2.1
173.09637	5.3
173.13274	5.0
175.07584	1.7
175.11270	3.0
175.14856	5.2
177.05582	1.7
177.09097	22.4
185.09712	1.2
187.14832	18.5
201.16704	1.2
215.14299	10.6
219.06470	1.5
231.04936	2.0
233.15334	11.4
243.09073	1.4
289.05377	3.5
463.19006	2.9
481.11057	1.4
481.19131	10.4
481.23987	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	481.2051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.3
55.05504	1.1
63.85762	0.6
67.05491	2.4
69.03414	2.3
69.07054	2.4
70.50834	2.2
71.04974	1.3
77.93883	0.7
79.05506	3.9
81.03404	2.2
81.06670	0.6
81.07066	5.1
83.04971	1.3
83.08626	1.4
85.02916	3.5
87.00835	1.0
87.04443	0.7
91.05478	4.4
93.07064	5.0
94.46718	0.7
95.04970	1.7
95.08623	4.6
96.08910	0.7
97.02882	1.8
97.06511	1.2
99.04411	0.7
105.07031	5.1
106.06521	1.0
107.04898	0.8
107.08598	4.7
109.02843	0.8
109.10139	1.5
117.07077	0.9
118.99119	1.2
119.08582	10.0
121.10144	2.1
122.09653	0.7
123.11671	0.9
125.09660	0.7
127.03883	2.2
129.07004	0.8
131.08549	1.8
133.10139	11.7
135.08034	1.6
135.11685	4.3
137.05957	3.0
145.10106	1.7
147.11691	1.3
159.08121	0.8
159.11656	1.2
161.06004	0.8
163.03893	1.0
175.13408	1.0
175.14807	5.3
177.09160	0.7
189.33067	0.7
203.05258	3.3
215.18124	0.9
227.05318	1.2
233.15167	1.4
245.06442	6.6
271.04315	1.8
289.05307	100.0
290.05710	1.7
311.23636	0.8
437.21585	9.2
481.20435	93.8
482.20804	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	481.2045
Annotation	Briarlide H
Peak:m/z	Relative Intensity
54.93668	1.1
55.01853	1.2
59.90435	1.0
66.91386	1.0
71.49173	1.9
81.03413	1.5
81.07036	1.2
85.02907	1.5
91.05495	2.5
93.07046	1.4
105.07040	1.3
107.08630	1.5
119.08614	3.8
119.25552	1.0
133.10130	4.3
137.06015	2.2
163.04128	1.0
175.14833	3.6
213.12830	1.1
215.14499	1.3
245.06378	3.3
271.04230	1.4
275.80676	1.3
289.05319	54.1
290.05740	1.4
395.20425	2.0
419.20596	3.5
437.21402	12.0
463.19452	19.9
481.20502	100.0
482.20905	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	481.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00498	0.6
55.05502	1.0
62.34499	0.6
64.65578	0.5
67.05474	0.8
69.03410	0.7
69.07015	0.7
70.18224	2.3
70.18555	0.6
71.04961	0.7
79.05459	1.4
81.07034	1.6
85.02891	0.6
91.05479	2.7
92.22002	0.5
93.07043	3.2
95.08607	3.7
97.02867	0.6
105.07049	2.9
107.08604	3.9
109.10146	1.0
119.08587	4.3
121.10165	0.9
127.03914	0.6
131.08543	0.8
133.10139	5.4
135.11696	2.9
137.05928	1.6
161.02800	0.8
175.14795	1.4
203.05260	1.2
220.59363	0.6
227.05229	1.2
245.06355	6.7
261.08755	1.0
262.09097	1.4
287.03848	0.9
289.05313	100.0
290.05692	1.0
304.69803	0.6
313.59723	0.7
407.18042	1.9
437.21637	2.1
463.20099	1.3
481.20410	29.0
482.20874	1.3
487.75360	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	5.6
55.01871	5.0
55.05504	2.8
57.03431	4.7
58.06569	0.9
58.99598	0.9
61.02917	3.1
62.02452	0.8
68.99786	2.7
69.03434	25.1
70.06599	7.8
71.04996	6.5
73.02918	6.0
73.06553	3.9
75.00202	5.0
77.01765	1.1
81.03424	27.4
83.01300	0.8
85.02909	37.3
85.07664	1.5
87.00832	16.3
87.01961	3.1
87.02684	6.0
88.07632	32.2
91.03954	2.4
97.02893	15.7
99.04464	8.8
100.11275	1.8
102.03759	0.8
102.30509	0.7
105.01868	11.8
105.03735	2.3
109.02132	1.7
109.02882	24.0
115.03964	0.8
117.01842	3.3
118.99130	100.0
120.04807	14.4
127.03926	39.8
129.01855	2.1
129.04843	4.1
129.95734	0.7
134.89111	0.8
145.04977	12.0
147.02899	2.3
147.05888	4.1
153.09126	1.2
155.11787	0.7
159.02904	15.6
161.03810	31.9
164.64629	0.7
165.18857	0.8
173.03835	1.7
177.02206	1.0
177.03864	0.8
187.06023	1.0
189.10568	38.9
191.04851	48.6
199.14891	1.0
211.74297	0.8
213.03897	1.8
221.78506	0.9
231.05025	8.6
233.09550	40.2
243.77501	0.8
293.05063	0.8
436.61478	0.8
439.10623	0.8
481.14926	15.9
481.22168	1.0
481.37561	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	8.6
55.01886	4.5
55.05533	1.0
57.03440	2.8
57.18911	1.0
61.02932	1.6
68.99781	2.4
69.03432	23.5
69.79012	5.2
69.79418	1.8
70.06596	7.8
71.04999	6.0
73.02935	4.3
73.06572	4.2
75.00204	6.0
81.03427	26.1
81.03864	1.8
85.02912	34.7
87.00842	18.8
87.01364	1.5
87.01976	2.5
87.02699	7.2
88.07642	28.9
91.04008	2.0
97.02900	16.0
99.04467	8.5
105.01875	12.0
105.03751	2.8
109.02893	22.7
109.03596	1.3
117.01922	3.4
118.99136	100.0
120.04806	14.6
127.02989	1.7
127.03928	36.0
127.04814	2.0
129.01848	2.2
129.04863	4.1
131.69087	1.1
145.04984	11.6
147.02940	1.8
147.05905	3.7
159.02892	12.8
161.03802	28.9
173.03783	2.2
189.10590	36.6
191.04868	42.8
213.04099	1.7
231.05016	6.4
233.09573	40.5
233.11763	2.2
363.29980	1.1
481.14987	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
66.92260	1.6
68.66898	1.5
70.06596	2.1
71.47997	1.8
79.05508	2.0
84.04513	1.8
85.02891	2.1
103.05463	3.1
123.04440	29.0
131.04907	6.5
135.04420	1.6
137.02333	2.9
137.05968	4.7
138.03145	3.0
139.64343	1.8
146.06024	5.0
147.04411	7.6
149.05971	5.9
153.05460	20.8
160.05215	2.4
162.05489	6.0
163.03888	5.0
163.06277	6.3
164.04253	1.6
164.07062	23.3
175.03908	4.3
177.06967	6.2
178.04984	3.2
181.06432	2.7
183.49492	1.7
187.03914	1.8
192.06528	7.6
195.08089	6.5
204.08205	1.7
205.06480	28.5
205.08380	2.7
210.06677	1.7
211.07474	3.8
223.07565	25.9
233.06018	13.5
237.05461	2.2
239.07010	4.0
241.05040	2.1
250.08597	9.7
251.07053	46.3
261.05426	4.6
267.06494	4.4
269.08032	23.4
278.08157	10.7
279.06512	73.0
285.07626	11.9
286.10727	11.7
296.09210	19.0
297.07562	56.1
314.10229	100.0
328.10422	2.4
437.13611	2.0
448.12372	37.8
480.14844	4.7
481.12875	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28394	0.6
55.42589	0.6
57.03424	0.7
63.53043	0.6
69.03416	1.0
79.05475	1.8
81.03411	0.8
81.89218	0.5
85.02894	2.5
91.05469	1.6
96.08141	4.1
97.02924	0.8
98.09643	0.6
105.03459	0.8
105.07006	1.4
107.04945	2.3
109.10110	0.5
115.05476	2.0
117.07021	4.3
117.73759	0.5
119.08656	0.7
120.08058	1.0
122.06024	0.6
124.07601	1.1
127.03968	0.7
129.07028	1.1
137.05981	2.4
143.08514	1.2
145.06520	6.4
153.07050	0.7
155.08597	1.3
157.06602	0.8
159.08119	0.8
161.06018	0.6
164.07086	0.8
169.10124	0.8
171.04448	2.5
171.08075	2.2
173.06003	1.6
177.07860	1.6
179.08574	1.0
183.08035	0.9
186.09184	1.4
189.05550	0.9
189.09003	0.8
192.09357	1.4
195.11624	0.9
197.05945	1.8
197.13347	1.1
207.11682	2.2
214.08640	20.7
223.11192	1.6
225.12857	1.5
251.10629	2.1
268.13333	17.0
269.13623	0.8
300.15961	100.0
301.16339	2.1
318.17014	56.8
319.17279	1.7
390.24829	0.9
418.22232	1.7
462.25143	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.1
55.05514	5.1
57.07079	5.3
67.05520	5.7
69.03445	0.6
69.07072	26.1
69.48660	0.5
71.04975	0.7
71.08635	1.3
71.42575	0.5
71.49572	0.9
79.05498	3.7
81.07061	11.2
83.04970	1.4
83.08617	5.7
83.99752	0.6
85.06528	1.1
85.10162	0.6
87.04450	0.9
91.05477	1.1
92.22419	0.5
93.07056	8.0
95.08617	8.0
97.06535	23.9
97.07162	1.3
97.10202	0.6
99.08087	6.0
105.07040	2.8
107.08607	10.8
109.06463	0.5
109.10159	10.9
111.08091	10.3
111.34132	0.6
119.08565	1.4
121.10153	9.7
122.10482	0.8
123.11713	26.2
125.09595	1.2
133.10123	2.4
135.11707	2.2
137.13278	2.8
145.10101	1.0
147.11679	1.7
148.13722	0.5
149.13272	5.5
161.13269	0.9
163.14819	2.8
167.14325	100.0
168.14679	1.1
175.14883	3.5
177.16376	1.4
189.16446	1.1
191.17941	1.5
217.19489	0.8
242.41536	0.7
255.21091	1.6
257.22403	0.6
271.24319	2.6
273.18381	0.6
311.52829	0.5
314.27710	1.4
393.35196	4.8
411.36224	4.7
480.35266	1.9
480.40503	1.9
481.36432	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.7
55.01880	8.2
55.05513	18.1
57.03423	5.3
57.07079	30.1
64.60742	1.8
67.05176	2.8
67.05509	27.6
69.07069	9.6
71.04985	2.7
71.08641	20.6
71.49496	2.6
77.37885	1.5
79.05078	3.0
79.05501	48.4
79.63428	1.5
81.03404	1.6
81.07066	18.3
83.04984	12.1
83.08621	13.3
85.10181	12.5
89.06025	2.6
91.05483	22.9
93.07048	42.9
95.04981	3.3
95.08613	18.6
97.06557	1.6
97.10154	4.9
103.05467	1.8
105.07034	9.5
107.08595	25.3
109.10180	8.9
111.11700	2.4
116.06279	2.2
121.10168	27.9
123.08097	1.5
123.11691	3.2
128.84933	1.7
129.05481	3.5
129.06946	1.8
131.08583	17.2
149.08421	2.8
149.09630	57.0
154.73814	2.1
223.13304	5.1
239.23730	5.5
290.85510	2.0
299.26837	1.6
302.04303	2.1
313.27380	62.5
318.07419	1.7
367.28360	2.1
461.35901	3.2
479.34885	100.0
480.35025	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	479.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.3
55.01863	2.4
55.05517	27.3
57.03434	8.9
57.07074	7.6
59.05007	2.2
61.02930	2.4
65.03934	4.5
67.05507	100.0
69.03431	4.6
69.07066	20.9
71.04984	4.5
71.08636	4.0
73.02900	1.9
79.05070	4.0
79.05498	50.3
81.03416	3.9
81.07059	79.4
83.04970	2.2
83.08627	15.2
84.20058	2.0
85.06553	4.8
87.04483	2.5
89.06025	3.4
89.73772	1.8
91.05481	26.7
93.07047	39.7
95.04976	3.7
95.08613	47.8
96.83076	2.2
97.06535	8.3
97.10171	18.4
99.08106	3.9
105.04545	2.1
105.07039	27.2
107.08595	31.1
109.06483	3.3
109.10167	54.0
110.50111	2.0
111.08056	4.3
113.09667	2.3
117.07019	11.9
119.08588	22.0
121.06507	3.4
121.10136	32.1
123.08089	2.2
123.11715	9.6
125.09644	15.9
129.07039	2.9
131.08614	13.5
133.10129	22.2
135.08041	4.2
135.11702	28.0
137.09662	2.9
137.13281	4.4
143.08559	2.6
145.10135	16.1
147.11693	12.8
149.09590	2.8
149.13283	11.7
155.08623	2.6
155.10742	4.6
159.11711	12.1
163.14844	2.4
171.11691	5.2
173.11737	13.0
173.13290	11.3
175.14783	2.9
184.07378	4.2
185.13199	3.4
187.14922	3.4
189.11198	11.0
205.19398	10.1
211.09689	3.8
213.16472	4.7
215.17989	14.5
227.12766	10.1
229.14372	25.2
231.17599	3.8
233.19005	34.8
235.20567	3.3
261.22232	3.9
285.09418	2.3
307.22726	13.9
335.25885	3.4
337.27225	2.2
351.26572	2.8
369.27820	10.5
387.28830	6.6
405.30298	5.2
443.31201	6.2
461.32770	32.5
479.33780	30.2
480.34122	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	479.3345
Annotation	23-Dehydrobrassinolide
Peak:m/z	Relative Intensity
50.80747	0.4
55.05492	1.1
57.03430	0.8
57.07091	2.6
67.05513	1.4
69.07047	0.8
69.52097	3.4
71.08614	2.3
72.62113	0.6
74.19159	0.4
79.05496	0.9
81.07051	2.5
82.22648	0.4
83.08585	1.4
85.10163	1.3
89.06034	0.6
93.07024	1.1
95.08597	1.8
95.53452	0.5
97.10175	1.1
98.20844	0.6
107.08624	0.6
109.06495	0.8
109.10139	1.1
114.70015	0.4
121.06495	1.0
123.47904	0.4
149.05931	0.5
167.06812	7.3
189.81757	0.5
214.29837	0.4
223.09460	1.7
243.13632	0.8
244.14296	3.3
245.15146	5.9
313.27332	3.5
335.25375	0.7
338.60794	0.5
408.57581	0.5
479.33652	100.0
480.33990	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.8
55.01879	1.3
55.05515	9.2
57.03442	5.5
57.04873	0.6
57.07074	1.4
57.21202	0.6
65.03939	1.4
67.05511	27.5
69.07073	14.2
71.04998	0.7
71.08624	1.3
79.05499	27.5
81.03416	1.9
81.07063	100.0
82.07395	0.9
83.04982	1.9
83.08616	4.6
85.06562	1.9
85.10217	0.7
91.05494	11.0
93.07052	18.9
95.04980	1.7
95.08614	22.3
97.06528	3.7
97.10204	1.5
99.08096	4.6
105.04525	1.0
105.07037	9.5
107.08602	12.2
109.06557	1.9
109.10159	9.9
111.08086	1.5
115.07642	0.7
116.06345	0.6
117.07014	4.1
119.08585	9.3
121.10153	11.3
123.11726	5.2
125.06015	2.4
127.07568	7.5
129.07018	1.1
131.08571	7.3
133.10144	6.2
135.11696	8.6
137.09698	1.0
137.13275	2.0
143.07043	6.3
143.08583	1.6
145.08638	3.2
145.10129	5.6
147.11708	6.6
149.13278	5.9
151.11218	0.7
157.10197	2.1
159.11661	4.9
161.08141	1.2
161.13269	3.6
163.14844	2.5
165.12766	0.6
169.10143	1.5
171.11716	2.4
173.13286	5.3
175.14894	2.1
183.11629	0.9
185.13330	1.8
187.14926	2.3
197.13358	1.2
199.09686	5.7
199.14906	1.7
201.11226	22.6
201.16408	1.2
203.12801	1.3
213.16304	0.7
215.18040	1.0
225.16275	0.6
227.12759	0.6
233.19089	0.8
233.22559	0.7
236.15076	1.1
243.21187	2.7
259.20667	1.1
261.22150	17.8
262.22586	0.6
263.23840	1.0
271.20703	1.1
279.23279	1.2
288.28012	0.6
289.21576	1.2
295.48492	0.7
317.24808	1.9
335.25827	14.8
341.28333	0.6
351.26788	2.3
353.26840	0.7
363.25470	1.0
369.27893	6.4
387.28961	2.7
405.30011	1.2
443.31717	1.4
448.30844	1.8
448.80875	1.1
461.32703	15.9
462.33475	0.9
479.27869	1.9
479.33810	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	479.1891
Annotation	Epimedoicarisoside A
Peak:m/z	Relative Intensity
53.03942	0.5
53.47482	0.4
55.05524	0.6
57.03424	0.5
65.54199	0.4
67.05495	0.9
69.03427	3.5
69.07056	0.7
70.74139	1.1
71.05003	0.8
79.05473	0.5
81.03410	3.0
81.07039	0.6
83.04952	0.8
85.02911	3.4
87.00821	1.0
91.05485	1.0
93.07057	0.7
95.04955	0.8
97.02872	1.0
99.04436	1.2
105.07021	1.1
107.08639	0.8
109.02894	2.3
111.04433	0.6
121.02906	0.4
121.10114	0.6
127.03914	4.4
141.09816	0.4
149.02307	1.0
174.12505	0.5
189.03903	0.9
203.05391	0.7
213.03947	0.5
243.06242	0.7
245.07858	1.3
257.09998	0.7
261.07373	1.8
275.11075	5.3
291.33505	0.4
299.12561	1.8
317.13669	2.2
423.12582	1.1
479.18903	100.0
480.19125	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20271	0.5
57.03343	2.3
61.02829	2.2
67.05447	1.1
67.05779	0.7
69.03329	6.2
69.03729	1.0
69.14059	3.7
69.14483	2.9
69.42252	0.6
71.04912	1.3
73.02845	1.4
73.93394	0.6
74.66591	0.6
79.05414	0.9
81.03301	3.6
81.06979	1.1
83.05992	6.1
85.02791	12.5
85.03344	1.2
85.06458	0.6
87.04353	1.9
91.03897	0.7
91.05367	3.3
93.06955	0.7
95.05978	2.3
95.08531	1.3
95.38359	0.6
97.02893	5.2
97.06447	0.8
98.05943	0.6
99.04326	1.6
105.06944	1.4
107.08516	1.1
109.02748	1.9
109.03918	1.1
111.05578	16.7
111.06264	0.8
111.09201	5.7
112.06264	1.5
115.05389	0.7
123.09066	1.7
125.07130	6.8
127.03925	4.0
131.08444	0.6
137.05923	0.9
137.06952	1.5
139.08662	5.9
140.09454	16.5
143.08275	0.7
145.04828	2.4
145.06325	0.7
145.10019	1.8
153.12685	1.0
161.09485	2.5
163.11143	0.7
177.09024	1.8
177.16315	0.7
183.07912	0.6
195.72542	0.6
197.10576	1.3
199.12228	2.1
201.08998	0.7
211.12471	0.6
212.13092	3.3
213.13852	2.8
213.18422	0.6
225.13910	5.4
226.14459	0.6
227.12007	0.6
238.91164	0.6
240.16231	9.7
241.16998	13.7
243.14882	1.4
253.17006	3.0
255.18425	0.9
261.08685	2.4
263.69308	0.6
271.18069	35.8
272.18195	0.8
281.16403	0.9
283.15344	1.5
299.17560	19.3
300.17664	0.7
301.18973	1.3
317.18610	100.0
318.18954	3.1
341.18689	0.8
417.21552	1.2
425.34470	0.6
433.23462	6.8
435.20044	0.8
461.23123	1.7
479.17844	1.5
479.24005	27.3
480.17868	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78122	2.1
53.03959	13.9
53.39008	2.0
55.01862	7.2
55.05505	4.8
57.03435	7.6
58.79909	2.2
63.96187	2.1
65.03943	2.7
67.05500	6.5
68.99788	8.6
69.03436	66.9
69.84534	10.4
71.01343	5.5
71.04987	10.4
73.02911	3.0
78.78219	2.1
79.05514	3.5
81.03426	65.1
81.07067	3.4
83.01353	3.9
83.04990	24.7
85.02911	76.0
87.00838	28.3
91.05470	4.2
93.07047	3.5
95.04957	7.5
97.02901	21.2
97.06522	2.6
99.00743	2.2
99.04475	18.1
103.03929	7.8
105.01881	7.5
105.07026	2.5
109.02892	49.8
111.04444	16.4
113.02364	2.9
115.03957	3.0
119.08623	2.8
121.02834	3.4
123.04444	6.9
125.02367	6.7
127.03925	100.0
129.01831	6.6
129.05475	2.9
137.89375	2.0
139.03880	2.2
141.05482	3.8
142.77702	2.1
145.04947	4.3
147.06552	3.4
151.03879	3.8
159.02861	3.4
163.03836	2.5
165.05492	3.7
166.62483	2.1
169.04988	10.5
171.02835	6.8
171.93082	2.2
173.04483	2.7
173.19237	2.2
187.05984	11.0
189.03951	18.9
193.04904	3.1
207.54070	2.5
213.03960	11.3
217.05096	3.3
227.05960	2.4
231.05069	11.0
231.07343	2.3
233.06554	7.1
244.36746	2.4
253.07047	4.3
255.05019	8.5
273.06146	13.2
302.84384	2.7
321.06390	2.1
339.07010	3.4
357.07983	3.0
357.31140	2.1
447.59683	2.6
461.09552	10.5
464.85263	2.3
479.16956	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	479.0569
Annotation	Unknow
Peak:m/z	Relative Intensity
70.85712	13.3
70.86074	22.4
94.93015	48.2
112.89607	15.8
114.89347	22.2
136.93115	27.5
136.94040	69.7
140.77719	9.8
148.94017	11.5
154.94218	30.1
156.82657	9.8
166.95137	34.3
172.95255	22.1
196.95203	68.6
202.89174	13.1
206.88589	20.6
214.89507	14.7
214.96291	55.4
226.96263	12.1
235.81940	13.0
248.89636	100.0
256.90494	15.7
256.97537	20.9
267.82190	9.8
298.98544	18.7
316.99429	23.5
335.00772	13.3
381.07977	95.6
419.03531	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	479.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	15.3
55.01868	5.6
55.05503	5.1
57.03424	10.8
61.02931	3.7
62.68409	3.2
67.05501	10.5
68.99785	11.1
69.03435	71.5
69.07050	3.6
69.40826	12.4
69.41241	10.7
71.01340	4.2
71.04988	8.7
73.02915	3.4
79.05495	8.1
81.03425	76.0
81.07035	8.1
83.04986	27.7
85.02911	85.6
87.00837	30.0
91.05460	5.6
92.78934	3.0
93.07056	5.4
95.04968	7.1
95.08616	4.4
97.02883	25.1
97.06533	9.2
99.04429	19.1
101.02366	4.9
103.03925	7.3
105.01861	5.9
105.07035	4.1
109.02895	52.1
111.04436	15.3
115.03942	4.2
123.04442	6.5
125.02380	4.7
127.03927	100.0
129.01773	5.1
135.04404	5.9
141.05446	4.7
145.04977	6.7
151.03831	5.6
167.03307	4.1
169.04961	14.1
171.02887	6.8
187.06006	9.9
189.03896	19.8
213.03978	12.5
217.04872	3.7
231.04967	11.4
253.07167	5.2
255.05040	9.5
273.06079	16.4
321.69199	3.4
339.06824	5.3
443.08206	4.3
461.09332	8.2
479.29898	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	478.2931
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
55.05514	10.0
57.03426	6.0
57.07054	1.8
58.06598	3.2
62.06093	38.2
63.31896	1.5
65.03965	1.8
67.05186	1.9
67.05508	28.5
69.07068	12.6
70.93311	3.1
71.08645	1.3
79.05506	10.0
81.07060	30.6
83.08624	7.6
86.09686	3.0
91.05467	5.5
93.07059	8.4
93.07553	1.7
95.08614	21.7
97.10168	3.4
98.06057	3.4
98.98479	10.1
105.07007	3.9
107.08580	6.2
109.10168	9.4
113.89595	1.4
119.08551	3.3
121.10124	5.0
123.11713	4.8
133.10101	4.6
133.82768	1.5
135.11684	3.9
144.10190	4.3
147.11711	1.7
147.55914	1.3
155.01054	6.1
161.71429	1.5
164.68257	1.8
173.02121	1.8
175.14816	1.8
184.07329	3.5
216.06340	3.8
245.22670	2.4
263.23724	6.7
268.97223	1.4
306.27899	17.2
337.27383	100.0
338.27728	2.7
460.28519	3.5
478.34985	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	478.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	14.2
57.07072	11.8
64.26430	5.9
67.05492	23.6
69.07079	36.3
69.92940	16.5
69.93346	19.0
72.18861	6.3
79.05480	18.5
80.10329	6.1
81.07055	99.6
83.08617	14.4
91.05473	10.0
93.07049	43.4
95.08611	100.0
97.10150	7.4
98.21489	7.3
105.07052	32.7
105.37283	6.2
107.08591	45.3
109.10161	79.3
119.08591	35.4
121.10133	72.5
123.11716	53.5
128.40643	6.2
133.10149	32.8
135.11713	54.8
137.13278	69.9
145.10129	8.7
147.11684	26.8
149.13281	40.5
151.14822	17.6
153.12724	11.4
159.11732	18.1
161.13269	33.2
163.14876	33.7
167.14359	9.8
168.76256	7.1
173.13264	14.4
175.14848	23.9
177.16400	11.7
179.14349	6.3
187.14862	9.3
189.16394	16.8
191.17976	17.1
203.17990	19.3
205.15845	7.9
205.19475	33.9
215.18034	9.4
217.19460	20.5
219.20926	6.7
229.19441	10.0
251.16376	6.9
273.25766	67.5
275.27365	8.1
299.27335	35.4
317.25018	7.8
317.28421	42.5
371.32956	10.5
379.33682	9.4
397.34741	73.0
425.33972	24.6
443.35153	42.1
450.12793	6.4
453.86310	6.6
461.36328	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	478.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.7
55.05513	6.5
55.87354	1.6
57.03426	1.5
57.07070	1.4
64.42679	1.4
67.05496	5.2
68.43723	1.3
69.03423	9.0
69.07052	6.1
71.04993	2.4
71.48918	2.2
73.02888	1.6
74.44411	1.3
77.09351	1.3
79.05492	6.1
81.03409	10.0
81.07054	13.0
83.08617	3.7
85.02910	15.0
85.06531	3.8
87.00822	5.2
91.05473	4.5
93.07055	6.8
95.05009	1.5
95.08618	18.2
96.53348	1.1
97.02885	6.0
97.06525	2.5
97.10146	2.8
99.04460	3.1
99.08101	3.5
105.01847	4.0
106.06561	1.7
107.08582	13.9
109.02881	7.5
109.06501	1.4
109.10148	5.3
119.08589	2.1
121.10155	18.5
123.04425	1.7
123.11706	1.8
125.09609	1.8
127.03907	11.2
129.01802	1.3
129.06979	1.3
131.08595	3.6
133.06418	1.3
133.10049	1.6
135.04454	1.7
135.11682	6.5
137.05960	3.1
137.13251	6.0
139.11162	1.9
145.04968	2.9
145.06506	1.5
148.07585	8.1
148.11235	2.9
149.12015	2.5
149.13226	1.8
159.02962	1.9
159.08052	1.6
165.09070	1.5
176.07076	24.7
176.10701	35.0
177.07722	2.3
177.11469	6.0
177.16397	39.0
188.10655	2.1
190.08589	3.2
195.17438	7.6
204.10197	18.0
205.10986	43.8
206.11797	3.0
209.77673	1.5
213.18494	28.5
215.10614	1.6
281.17532	2.1
290.17337	1.2
319.17603	1.6
398.23245	9.1
416.24323	100.0
417.24326	2.3
460.26996	39.6
461.26968	1.4
478.16238	1.4
478.28030	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2932
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
50.39107	0.7
53.03951	1.3
55.01867	2.2
55.05270	1.2
55.05516	14.0
57.03442	10.9
57.07074	2.5
58.06604	23.6
59.04980	0.9
59.07385	11.8
60.08173	3.7
65.03947	1.1
67.05509	31.3
69.07074	15.4
69.84173	0.9
71.05004	1.4
71.08643	0.8
71.48815	1.1
79.05500	12.2
79.53501	0.9
81.03448	1.1
81.07063	31.5
82.64799	0.7
83.04996	1.4
83.08626	8.3
84.08150	1.6
85.02914	1.7
86.09708	2.5
91.05490	6.9
93.07056	11.4
95.08614	22.9
97.06534	2.8
97.10184	4.3
98.06046	1.1
98.98448	1.0
99.08119	1.2
100.11258	1.8
105.07034	5.2
107.08598	6.0
109.10155	7.9
111.11710	1.1
113.06068	1.4
116.10722	1.2
117.06979	0.9
117.38250	0.8
118.12297	0.9
119.08609	3.3
121.10154	5.8
123.11720	3.4
131.08545	1.4
133.10162	3.5
135.11707	2.9
137.13263	1.8
142.19992	0.9
144.10210	41.0
147.11696	1.9
149.13278	0.9
161.13264	1.6
162.11278	6.6
163.03964	3.7
184.07352	3.2
199.39568	0.8
200.12929	1.8
216.06406	1.3
218.13953	0.9
221.30809	0.9
235.20523	1.1
245.22450	1.2
263.23743	0.9
306.28015	7.5
337.27396	100.0
338.27869	3.0
391.28583	2.1
416.24274	1.6
417.06689	0.9
434.36319	2.0
447.29639	1.7
447.79968	1.0
478.35312	70.4
479.35742	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.4
55.01870	2.8
55.05497	3.9
57.03433	3.0
61.02921	1.9
65.31291	1.2
67.05492	4.4
69.03426	9.9
69.07054	3.0
69.99930	6.3
71.04978	3.6
73.02908	2.0
79.05492	12.9
79.34325	1.1
81.03422	6.0
81.07060	100.0
83.04980	2.3
85.02910	26.0
85.06525	8.2
87.00834	13.4
91.05474	8.9
93.07049	21.9
95.04980	2.0
95.08604	12.2
97.02892	12.4
97.06509	3.0
99.04440	4.6
101.06013	3.5
105.01865	25.5
105.07031	5.1
107.08597	13.9
109.02870	9.1
109.10147	1.6
117.07022	1.5
118.26031	1.3
119.08562	2.4
121.06493	3.7
121.10119	4.5
127.03924	22.2
127.07542	4.1
131.08575	2.3
133.10146	9.0
135.08040	2.2
135.10838	1.4
135.11693	40.4
139.07532	3.1
145.04961	11.7
147.06906	1.2
149.13269	6.9
153.09027	1.6
157.10251	1.5
159.02798	1.9
159.11690	12.9
177.12743	23.8
195.11992	2.5
195.13814	48.6
212.16431	3.7
213.03906	1.4
217.71500	1.3
231.04959	9.6
248.22337	1.3
249.06078	5.5
267.14249	1.5
284.09753	2.1
285.14935	1.4
416.24164	4.0
472.38361	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.7
55.05513	6.5
55.87354	1.6
57.03426	1.5
57.07070	1.4
64.42679	1.4
67.05496	5.2
68.43723	1.3
69.03423	9.0
69.07052	6.1
71.04993	2.4
71.48918	2.2
73.02888	1.6
74.44411	1.3
77.09351	1.3
79.05492	6.1
81.03409	10.0
81.07054	13.0
83.08617	3.7
85.02910	15.0
85.06531	3.8
87.00822	5.2
91.05473	4.5
93.07055	6.8
95.05009	1.5
95.08618	18.2
96.53348	1.1
97.02885	6.0
97.06525	2.5
97.10146	2.8
99.04460	3.1
99.08101	3.5
105.01847	4.0
106.06561	1.7
107.08582	13.9
109.02881	7.5
109.06501	1.4
109.10148	5.3
119.08589	2.1
121.10155	18.5
123.04425	1.7
123.11706	1.8
125.09609	1.8
127.03907	11.2
129.01802	1.3
129.06979	1.3
131.08595	3.6
133.06418	1.3
133.10049	1.6
135.04454	1.7
135.11682	6.5
137.05960	3.1
137.13251	6.0
139.11162	1.9
145.04968	2.9
145.06506	1.5
148.07585	8.1
148.11235	2.9
149.12015	2.5
149.13226	1.8
159.02962	1.9
159.08052	1.6
165.09070	1.5
176.07076	24.7
176.10701	35.0
177.07722	2.3
177.11469	6.0
177.16397	39.0
188.10655	2.1
190.08589	3.2
195.17438	7.6
204.10197	18.0
205.10986	43.8
206.11797	3.0
209.77673	1.5
213.18494	28.5
215.10614	1.6
281.17532	2.1
290.17337	1.2
319.17603	1.6
398.23245	9.1
416.24323	100.0
417.24326	2.3
460.26996	39.6
461.26968	1.4
478.16238	1.4
478.28030	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
58.70038	1.9
70.17785	7.7
77.10072	1.8
77.23883	1.7
79.12273	1.7
81.07097	2.5
83.08691	2.2
91.05473	2.0
91.59282	1.8
92.08658	2.1
95.04988	2.4
97.06510	2.7
105.07019	7.4
115.05492	2.0
120.99767	2.1
122.03635	5.1
131.04909	2.5
133.06482	4.9
133.10104	1.6
137.05986	65.4
137.98575	1.6
146.03627	5.1
147.06798	5.4
161.05997	48.5
163.07524	3.1
165.06979	2.5
175.27176	2.1
176.10718	2.0
177.07899	1.9
191.06989	4.9
191.08556	2.9
194.07237	5.0
202.12303	1.9
203.06909	1.7
204.10310	2.8
205.06503	5.2
205.08554	6.8
207.08070	2.5
209.09642	4.5
219.08017	4.0
221.05995	4.6
222.06760	7.7
223.07384	1.9
233.05972	3.7
233.08076	20.6
235.07468	3.4
237.09090	19.9
247.07620	3.0
250.06282	14.4
251.10442	2.3
262.87430	1.8
264.07813	3.5
265.08618	89.7
266.09186	3.7
275.06937	2.4
279.10016	9.8
282.08835	5.7
284.10391	2.5
292.07272	4.9
297.11185	23.3
307.09543	11.1
325.10733	100.0
326.11157	3.0
339.12231	16.2
357.13351	82.9
372.21866	2.0
416.19006	3.1
416.24353	46.4
434.25061	2.0
441.56802	1.8
460.27289	9.0
478.28076	4.5
478.40024	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	6.5
54.53956	2.9
55.05509	8.5
55.31766	3.0
58.29624	3.1
67.05530	7.9
67.06537	3.5
69.03423	7.1
69.24136	34.4
79.05486	13.9
81.03407	12.5
81.06599	5.8
81.07060	100.0
85.02911	21.9
87.00845	9.1
91.05474	12.8
93.07044	23.3
95.08608	14.0
97.02876	13.6
97.06584	6.3
99.04443	8.0
105.01862	14.2
105.07046	8.6
107.08607	17.9
109.02870	5.5
119.08544	8.6
121.06471	7.1
121.10085	5.6
127.03907	19.7
131.08536	5.4
133.10141	11.0
135.11697	52.7
137.05965	14.4
145.04979	8.7
145.22481	3.4
149.13332	5.3
159.11681	14.0
177.07898	4.1
177.12735	29.4
195.13800	54.0
213.03947	3.5
225.26256	3.3
231.05093	6.7
231.11217	6.2
249.06068	7.1
328.99420	4.5
416.24316	29.0
460.26959	12.2
478.28439	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10516	0.3
55.01875	0.4
56.05030	0.6
58.99590	0.6
67.04244	5.4
69.03423	1.1
71.47501	0.4
73.01151	0.7
74.00665	1.4
80.74701	0.3
81.03411	0.6
84.51962	0.3
85.02908	2.4
86.00656	0.8
97.02894	1.0
100.02202	100.0
101.02598	0.3
102.05529	1.2
103.03173	0.4
109.02831	0.4
110.06041	1.0
114.05533	2.2
127.03912	0.5
130.05022	1.4
132.01154	0.9
137.05989	1.5
138.05492	0.7
146.02687	0.5
147.04286	0.4
156.06566	0.8
157.04330	3.4
158.02713	3.9
163.03885	1.1
164.07056	0.5
170.02690	0.5
175.05353	2.6
185.03806	0.8
203.04851	62.9
204.05103	0.7
205.06482	0.5
213.06944	10.3
223.07388	0.6
233.05956	0.5
250.06219	0.9
251.07025	1.1
255.08029	0.8
258.09875	0.4
265.08624	0.7
276.10825	1.1
278.05612	0.4
283.09277	0.5
293.08209	1.7
299.09329	0.6
310.10651	1.3
311.09204	1.8
316.09607	14.7
323.77676	0.4
328.11771	3.0
358.10461	0.6
375.12207	2.7
388.33902	0.4
388.55231	0.4
478.14825	9.4
491.71823	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18384	0.4
56.96579	0.6
58.99592	0.6
67.04252	4.6
69.03410	1.2
69.43588	3.6
73.01144	0.6
74.00675	4.1
81.03411	0.7
85.02901	1.8
86.00671	0.4
89.03930	0.6
96.04499	1.1
97.02885	1.2
98.20765	0.8
98.97611	0.7
100.02205	100.0
101.02546	0.7
102.05550	1.3
109.02901	0.5
114.05533	1.7
117.03434	0.6
117.36160	0.5
120.08102	0.5
127.03938	0.9
130.04985	1.3
132.01108	0.7
135.04407	1.2
138.05482	0.7
141.00056	0.7
145.02853	0.6
156.06602	0.8
157.04340	2.3
158.02702	3.7
163.03908	3.2
166.08691	0.7
175.05312	2.6
185.03790	0.7
203.04861	73.0
204.05112	0.7
213.06935	21.1
237.02701	0.8
255.08002	0.9
269.07901	0.7
270.11353	2.4
276.10815	1.3
292.19473	0.6
298.10742	0.7
309.07553	0.8
316.09567	17.0
316.99619	0.6
375.12112	2.4
384.67007	0.5
385.21646	0.5
478.14960	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	477.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.0
55.01880	0.9
55.05510	2.6
57.03431	0.6
59.05019	0.6
59.07290	0.3
59.68337	0.4
67.05183	0.6
67.05505	7.3
69.03426	0.7
69.07059	2.6
69.35441	3.0
69.35867	0.6
76.91289	0.4
79.05492	5.9
81.03409	1.0
81.07060	5.4
83.04971	1.5
83.08598	1.4
85.06560	0.5
89.32789	0.4
89.72790	0.4
91.05485	4.3
93.07050	4.1
93.53557	0.3
95.04974	1.5
95.08614	3.6
97.02882	0.6
97.06522	1.0
97.10155	1.2
98.20773	0.8
103.05486	0.5
105.07043	4.7
107.04948	0.8
107.08607	3.8
109.02883	0.5
109.06483	0.6
109.10156	6.6
115.05419	0.4
117.07062	1.9
119.08587	3.6
121.06504	1.3
121.10152	1.7
122.07310	2.2
123.08102	0.6
123.11728	1.0
127.03886	0.5
129.06967	0.6
131.08577	1.1
133.06488	1.1
133.10156	1.0
135.04456	0.4
135.08066	1.2
135.11710	0.5
137.05988	0.7
137.09624	11.2
137.13194	0.4
143.08557	0.6
145.10107	0.7
147.08057	0.5
147.11702	1.3
149.09660	0.8
151.07550	1.9
153.09174	0.8
153.23694	0.4
159.11665	0.6
161.09517	0.5
161.13373	0.5
165.09120	100.0
166.09477	1.2
169.10115	0.6
171.11761	0.8
191.17654	0.4
197.19063	0.5
205.12225	0.5
207.13834	0.6
209.13496	0.5
223.13286	0.7
251.68031	0.4
279.26904	0.4
307.37299	0.4
366.21838	0.4
385.23553	1.0
459.27554	0.5
468.15842	0.5
477.23489	2.6
477.35333	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.321
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.8
55.01860	7.2
55.05511	91.5
57.03424	4.1
57.07077	3.1
57.35381	1.6
59.04996	7.7
65.03928	4.4
67.05505	71.6
68.84247	1.4
69.03420	10.1
69.07059	19.4
70.58828	3.9
70.59184	2.6
71.04973	2.1
75.33831	1.4
77.03947	1.7
79.05495	94.9
81.03407	2.3
81.07056	69.0
81.07537	3.3
83.04978	6.4
83.08618	47.0
85.06547	3.5
89.06047	1.8
91.05479	41.0
93.07044	79.2
95.04961	6.6
95.08609	31.8
97.06517	4.4
97.10172	89.6
99.08091	3.0
101.09664	3.2
103.05500	2.0
105.04515	2.5
105.07034	28.1
105.41355	1.7
107.08595	50.4
109.06533	2.2
109.10165	17.8
111.08103	4.3
117.07021	13.1
119.08574	16.4
121.10145	48.0
123.08090	3.9
123.11703	6.6
125.09632	79.8
129.06987	1.6
131.08575	16.2
133.10132	18.9
135.08037	7.9
135.11679	21.0
137.09651	2.6
143.08546	1.8
143.10681	5.3
145.10172	11.7
147.11713	8.6
147.12680	1.6
149.09622	1.8
149.13307	8.2
153.09161	7.2
159.11699	13.2
161.13234	4.4
163.11177	1.9
171.10201	6.8
171.11557	1.7
173.13263	9.1
177.12682	1.6
184.07343	3.3
185.83238	1.5
187.14810	3.2
189.11214	70.4
205.19501	4.3
213.16400	1.8
215.17934	21.9
227.10532	2.9
227.12770	52.8
233.18999	26.3
245.13812	19.6
263.81680	1.9
289.21625	5.1
335.87341	1.7
361.03427	1.6
367.26462	2.2
369.97226	1.7
385.27469	4.0
403.28351	3.6
459.31223	8.7
477.32104	100.0
478.32507	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	477.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10678	3.6
50.90449	3.4
51.14778	4.2
53.03948	17.2
55.01876	28.9
55.05509	27.9
57.03443	16.3
57.07072	10.5
58.66587	3.9
61.02934	6.8
65.03945	8.5
67.05506	54.1
68.99788	18.3
69.03432	43.9
69.07080	21.6
70.87898	9.7
71.01366	5.0
71.04979	11.3
71.08641	4.1
73.74032	3.7
77.03925	4.9
79.05499	66.6
81.03426	57.1
81.07056	54.3
82.05700	3.9
83.04977	29.1
83.08638	9.1
83.39147	4.4
85.02911	100.0
85.06527	9.7
87.00842	28.1
87.04460	7.4
91.05489	98.8
93.07052	64.8
93.51418	3.7
95.04981	38.4
95.08643	28.3
97.02885	34.2
97.06540	14.1
97.10168	7.4
99.04475	12.7
99.08091	6.1
103.05495	12.8
105.01858	4.9
105.03411	5.1
105.04525	4.7
105.07032	93.2
107.04960	34.8
107.08607	31.1
109.02863	24.9
109.06532	21.8
109.10192	16.7
111.04446	27.2
113.02386	8.6
113.06055	5.3
115.03956	11.1
115.05498	10.0
117.07016	61.3
119.04981	7.9
119.08599	37.5
121.06523	36.4
121.10155	16.9
123.04449	9.9
123.08088	11.2
125.06013	4.6
125.09610	8.2
127.03934	26.2
128.06242	17.9
129.07021	53.1
131.04948	9.9
131.08582	52.1
133.06517	21.7
133.10143	25.6
135.04413	9.5
135.08026	22.1
135.11661	7.9
137.05984	17.1
137.09619	13.7
141.07018	26.3
142.07863	5.9
143.08588	41.8
145.06490	24.8
145.10130	30.4
147.04379	4.8
147.08064	15.9
147.11685	17.2
149.06010	13.0
149.09642	10.2
149.13287	7.5
151.07582	12.8
151.11200	8.3
153.05516	5.0
153.06998	8.9
154.07770	5.2
155.08543	28.5
157.06491	12.8
157.10167	23.4
159.02943	6.3
159.08049	16.0
159.11696	11.6
161.06001	11.0
161.09673	16.2
161.13203	6.8
163.07527	14.9
163.11200	11.9
165.07018	7.4
165.09099	8.6
166.07863	7.0
167.07259	4.0
167.08511	20.6
168.09262	4.3
169.10143	17.9
171.02904	6.9
171.08095	15.1
171.11685	12.4
173.09671	12.2
173.13287	6.3
175.07692	6.6
175.11200	10.8
177.05460	4.5
177.09146	19.6
179.08591	11.4
181.06691	5.1
181.10161	17.7
183.08075	9.9
183.11705	18.0
185.09637	13.3
185.13257	22.1
187.11217	10.6
187.14868	20.6
189.03944	9.9
189.12827	11.3
191.08556	4.8
191.10692	6.1
192.09299	4.3
193.10284	7.3
193.12109	6.1
195.08157	4.9
195.11736	8.6
195.13756	4.6
197.09669	9.4
197.13266	13.2
199.07603	5.4
199.11261	9.3
199.14851	15.6
201.04012	7.8
201.09116	7.2
201.12785	9.8
203.10687	11.6
203.14444	5.4
205.12199	9.3
207.11781	6.9
211.11349	8.0
211.14920	6.2
212.74783	3.7
213.03899	8.1
213.12752	6.8
213.16432	4.5
215.10771	5.9
215.14267	5.0
217.12285	9.5
221.13423	7.4
223.14835	9.0
225.12834	6.1
227.10725	4.8
227.14330	14.8
229.12379	6.2
229.15912	11.9
231.13857	4.8
233.15331	6.8
239.14359	11.7
241.15903	12.9
245.15379	21.7
247.17006	16.1
253.15886	4.8
257.15424	10.5
259.16980	17.3
265.15686	8.0
267.17523	7.5
269.15265	9.0
271.16934	9.4
275.16565	4.6
277.15839	5.0
283.17072	7.6
285.18210	4.9
287.16513	14.4
290.43115	4.4
295.16974	5.0
299.16479	5.0
301.18097	12.4
309.18570	9.1
313.18005	9.3
317.17563	7.1
319.17126	7.4
327.19733	4.8
331.19061	5.0
337.18246	24.6
355.19034	41.5
373.20197	33.9
385.23947	6.4
391.21231	8.6
433.22159	8.4
441.19070	12.6
459.20062	17.2
459.26508	6.9
477.21317	46.2
477.28156	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	476.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39891	1.8
55.05500	4.7
57.07076	8.7
67.05502	5.9
69.07078	11.5
69.46024	7.3
69.46445	5.2
79.05485	5.0
80.01376	1.6
81.07064	18.1
83.08628	3.9
89.05985	1.9
91.05489	5.0
93.07048	9.9
95.08613	22.1
97.06511	1.9
97.10135	2.0
105.07023	4.8
107.08616	12.8
109.10160	13.8
111.56494	1.7
119.08611	5.3
121.10136	13.1
123.08126	1.8
123.11711	8.4
133.10135	4.7
135.11725	19.1
137.09575	4.0
137.13232	4.8
139.11191	1.6
147.11676	3.7
149.09651	4.0
149.13263	7.3
159.11789	2.6
161.13272	2.0
163.11137	2.2
163.14828	4.7
175.14821	2.2
177.16431	5.8
187.14806	2.1
189.12666	2.8
191.17975	9.1
199.14781	1.8
203.11330	1.8
203.17947	2.6
205.15881	2.1
219.17464	4.9
222.10707	1.8
241.92004	1.6
250.06247	2.8
251.04514	9.8
252.04839	8.3
255.21104	6.5
273.22104	11.0
277.21664	3.2
363.19089	3.5
364.17059	9.7
377.32339	2.4
385.34726	2.2
395.33197	22.1
396.33908	1.8
413.34158	100.0
414.34552	4.5
420.24991	4.2
441.33643	7.1
459.34818	12.5
476.32706	12.7
489.61484	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06150	5.9
52.61073	5.5
55.05505	22.9
57.07067	20.8
62.54794	5.3
67.05519	34.0
69.03410	6.4
69.07063	43.5
79.05486	14.4
81.07056	83.6
82.07434	6.5
83.08612	18.7
91.05463	26.7
93.07038	46.7
94.07304	7.6
95.04967	13.7
95.08611	100.0
96.08954	11.3
97.06556	7.6
97.10149	11.7
97.85006	5.0
105.07045	50.6
107.08595	59.0
108.08933	6.3
109.10152	50.9
110.10471	7.4
117.07014	16.6
119.08590	66.7
121.10139	60.3
121.10973	8.7
122.10423	6.0
123.08073	17.6
123.11720	46.9
129.07024	6.5
131.08574	21.0
132.09357	12.0
133.10135	43.9
135.11685	36.4
137.09612	7.6
137.13251	32.1
138.13579	11.4
142.07736	6.8
143.08549	17.6
144.09328	7.6
145.10132	50.4
146.10762	6.3
147.11699	37.0
149.13289	27.2
151.14841	16.3
155.08499	7.2
157.10217	29.7
158.10880	7.1
159.11656	33.6
161.13225	20.2
163.14835	16.8
169.10106	10.4
171.11726	25.7
173.13231	27.0
175.14880	33.3
177.16385	11.5
183.11719	16.7
185.13271	22.4
187.14806	14.9
189.16341	8.9
191.14404	8.5
191.17941	19.3
193.15880	22.1
197.13326	12.5
199.14738	8.5
201.16342	8.4
205.19565	22.2
209.13351	8.7
211.14771	7.2
217.19498	8.6
229.19579	8.1
231.21068	13.9
237.16412	6.2
249.18544	16.9
251.04639	7.5
252.04970	10.9
257.22623	11.3
267.19495	7.1
271.24216	18.5
315.99710	7.0
323.23526	7.1
327.30463	16.0
338.26065	50.9
345.31531	27.7
364.17419	9.7
395.33011	7.4
423.36612	9.1
430.37668	25.1
441.37866	31.1
459.38400	60.1
476.32153	36.1
477.33502	49.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.4
55.05513	11.6
57.03438	5.4
57.07067	2.0
59.05002	4.0
59.17379	1.5
62.05794	3.1
62.06091	36.5
65.03948	2.3
66.19378	1.7
67.05511	36.1
69.07076	10.1
78.19124	1.6
79.05499	24.0
81.07065	32.6
81.22794	1.8
83.05000	1.8
83.08625	5.2
89.06033	2.5
91.05489	14.9
92.21752	1.4
93.07049	29.1
95.08617	24.3
98.06042	2.5
98.98468	11.8
105.07047	8.3
107.08602	12.1
109.06520	2.8
109.10161	8.9
117.06954	1.8
119.08585	6.5
121.10147	9.4
123.11730	3.3
124.01597	1.6
131.08578	4.0
133.08572	1.8
133.10158	7.5
135.07991	1.6
135.11693	3.5
142.02716	1.9
142.24132	1.5
144.60960	1.9
145.10130	4.2
147.11703	3.2
149.13191	3.5
155.01057	3.4
159.11662	3.2
161.13275	3.0
163.14844	2.8
163.65953	1.9
173.13274	2.8
198.05180	3.6
200.65771	1.9
216.06378	4.5
229.03252	2.0
243.21133	2.5
261.22189	5.0
304.26337	11.9
317.24707	2.1
335.25818	100.0
458.26578	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	476.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14468	1.9
55.01871	1.8
55.05516	8.6
57.03431	4.5
57.07055	2.7
59.05000	2.0
62.06094	42.3
67.05509	29.9
67.34301	1.5
69.07072	9.1
69.67867	8.1
79.05499	27.7
81.07055	30.0
83.08624	5.3
85.06541	2.5
90.92371	1.4
91.05482	17.5
93.07055	31.3
95.04951	3.7
95.08609	22.8
97.06517	2.7
98.06036	2.2
98.98475	10.4
105.04549	1.8
105.07040	9.9
107.08599	14.5
109.10173	7.1
111.08097	2.7
117.07031	3.6
119.08608	7.1
121.10160	11.4
124.01657	2.0
131.08551	6.8
133.10132	5.4
135.11691	4.4
137.09583	1.6
145.10126	4.4
147.11656	2.4
149.09552	2.0
149.13210	1.5
155.01068	2.9
159.11705	4.4
161.13168	3.4
163.14842	7.9
173.02037	1.7
173.13278	4.1
185.13190	1.9
198.05284	2.4
216.06361	3.8
243.21169	7.8
261.22165	9.3
304.26443	7.7
320.43439	1.6
335.25812	100.0
364.08057	1.5
458.26700	4.0
476.27130	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.6
55.01860	3.0
55.05515	7.5
56.05023	2.3
57.03430	1.4
60.04527	25.0
61.02879	1.4
63.24231	1.3
65.03931	3.6
65.81600	1.2
67.04254	1.5
67.05511	20.1
69.03425	2.3
69.07071	6.7
70.02953	1.6
71.04993	2.8
73.02901	3.7
79.05492	18.3
80.05027	6.0
81.03394	4.2
81.07062	36.8
82.06134	1.5
82.06586	22.2
83.04971	2.5
83.08612	3.1
83.47652	1.4
84.08137	3.2
85.02888	3.8
85.06535	2.7
87.00825	1.5
91.05486	57.0
93.06497	1.4
93.07047	17.7
94.06572	34.9
95.04980	9.5
95.08617	11.1
95.09146	1.9
96.04455	2.0
96.08123	4.9
97.02898	2.3
97.06551	6.1
97.10175	1.5
98.21516	4.1
105.01857	2.3
105.04523	1.7
105.07042	15.1
107.04935	5.6
107.08588	4.7
108.08128	20.0
109.06512	9.6
109.10147	8.9
112.07598	4.0
117.07026	1.4
119.04945	7.3
119.08592	13.5
121.10120	5.5
122.09672	1.4
123.11687	4.5
124.07589	11.9
126.09143	4.2
127.03896	2.8
128.07083	2.4
129.06963	6.2
131.08556	5.9
133.10159	17.8
135.11693	4.4
136.07597	13.5
137.05977	13.2
141.06946	1.6
142.07608	2.6
142.08644	33.1
145.10178	2.0
147.11684	6.3
149.13255	1.8
151.11237	2.3
154.08635	85.7
156.10223	1.3
157.10144	2.6
159.11580	1.3
171.11626	1.7
172.09715	18.5
175.11208	9.8
175.14771	2.3
185.13188	2.0
190.10756	4.6
193.12234	10.9
226.06209	6.3
227.06998	1.5
241.08720	1.9
322.11914	3.6
327.66818	1.3
337.14407	2.9
340.13168	2.9
355.15384	4.9
374.26917	2.0
392.27939	7.6
397.16257	1.5
404.27893	11.4
415.17239	1.8
422.29022	100.0
423.29218	2.6
440.30078	74.7
441.30502	2.8
458.31073	16.2
459.16278	5.8
476.19009	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	476.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.9
53.03935	3.4
55.01860	1.6
55.05511	6.0
57.03421	0.7
57.07064	2.4
60.04533	8.8
61.02896	0.8
62.25294	0.7
63.80781	0.7
65.03933	0.9
65.04243	0.7
67.05507	9.0
69.03415	2.8
69.07066	9.0
69.15395	2.5
69.15803	5.4
71.05009	3.7
73.02921	0.8
79.05499	18.6
80.05013	0.9
81.03407	3.6
81.06594	1.4
81.07059	22.4
82.06568	2.1
83.05003	1.4
83.08616	2.7
85.02909	8.3
85.06538	1.6
87.00821	2.9
91.03918	0.8
91.05486	28.9
93.07046	26.2
94.06588	3.9
94.12181	0.7
95.04973	3.8
95.05486	0.8
95.08611	28.7
96.08113	1.8
97.02890	4.8
97.06511	1.8
99.04444	1.8
99.08084	6.5
103.05447	1.5
105.01857	7.9
105.07035	71.4
107.08598	30.2
108.08116	3.4
109.02891	3.0
109.06558	3.7
109.10176	4.2
112.07635	0.8
113.09640	3.9
117.07029	3.3
119.04956	2.4
119.08587	66.0
121.06540	0.7
121.10165	6.7
123.08067	1.5
123.11688	5.6
126.09148	1.3
127.03930	6.4
128.07005	0.9
129.06978	2.6
131.08582	6.3
133.10135	85.5
134.10516	0.9
135.11700	42.4
136.07573	3.5
137.05989	1.5
137.09653	7.1
142.08635	1.9
145.05037	4.3
145.10129	1.5
147.08041	1.1
147.11710	10.0
149.13258	3.2
154.08635	7.0
156.99152	0.9
157.10114	1.4
159.02887	1.3
160.12486	1.1
165.08998	0.8
172.09709	4.3
175.11337	8.3
175.14833	100.0
176.15137	2.2
190.10757	1.0
193.12224	7.6
193.13805	0.9
193.14119	1.0
193.15874	9.6
200.09166	0.8
231.05054	2.5
249.06189	1.3
346.56366	0.8
355.15125	0.9
386.26248	0.9
422.29019	25.2
440.30072	23.8
458.31195	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	476.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27159	0.2
53.03952	0.3
55.01892	0.3
55.05508	1.6
57.03436	0.2
57.07078	0.7
60.04533	0.6
61.02915	0.2
65.03947	0.2
67.05504	1.7
69.03427	0.4
69.07066	2.5
71.05009	0.4
71.48698	0.2
71.49376	0.2
75.37506	0.2
78.04716	0.2
79.05495	2.4
80.05049	0.2
81.03403	0.3
81.07058	10.8
82.06584	0.7
83.08616	0.9
85.02903	0.8
87.00825	0.3
90.39853	0.2
91.05482	5.5
91.06029	0.4
93.07047	4.1
94.06576	0.8
95.04974	0.4
95.08610	10.0
97.02911	0.2
97.06503	0.5
99.08103	0.9
105.01842	0.3
105.07033	13.2
107.04958	0.3
107.08598	5.5
108.08132	0.4
109.06518	0.3
109.10139	1.1
113.09644	0.2
115.05458	0.2
117.07037	0.9
119.08584	29.3
120.08844	0.3
121.10159	1.3
123.11695	0.9
127.03918	0.4
131.08575	1.2
132.09367	0.2
133.10135	19.6
134.10489	0.4
135.11685	2.5
136.07539	0.3
137.06018	0.5
142.08617	0.8
145.10152	0.6
146.10927	0.5
147.11678	3.6
151.07556	0.2
154.08641	1.9
160.12421	0.3
163.03734	0.2
173.13269	0.5
175.14825	100.0
176.15169	2.0
193.15887	1.5
196.17047	0.3
214.17981	1.8
229.17952	0.2
322.11929	0.2
404.27695	0.3
422.28955	3.0
435.09406	0.2
440.30075	1.7
458.31216	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52979	0.8
52.10201	0.9
53.03954	2.1
55.01873	1.4
55.05513	6.9
57.07073	2.1
60.04530	5.7
61.02917	0.9
61.69554	0.7
65.03938	1.2
67.05515	8.1
68.58733	0.9
69.03443	3.3
69.07066	8.2
69.79051	4.7
71.04991	4.0
79.05490	18.1
80.05013	1.6
81.03420	2.5
81.07060	23.4
82.06598	1.3
83.04977	1.2
83.08626	2.2
85.02918	8.5
87.00826	3.0
89.93381	0.9
91.05489	27.7
91.91917	0.9
93.07050	27.4
94.06582	2.7
95.04969	2.7
95.08614	26.9
96.08081	1.1
97.02885	4.3
97.06543	1.8
98.20774	1.3
99.04437	1.1
99.08099	6.8
103.05466	1.8
105.01855	7.0
105.07037	78.6
107.08597	32.9
108.08141	2.0
109.02892	2.6
109.06531	3.1
109.10155	4.9
112.07610	1.1
113.09631	5.5
117.07027	2.2
119.04971	1.8
119.08591	64.5
120.28586	1.0
121.10143	6.2
123.11711	6.3
127.03909	8.3
128.07082	1.2
129.07028	2.3
131.08568	3.7
133.10138	83.9
134.10492	1.1
135.11694	47.9
136.07582	1.9
137.05986	2.9
137.09630	5.8
142.08673	1.4
145.04970	5.1
145.10107	1.3
147.11684	8.2
149.13264	2.7
154.08641	5.3
156.28220	1.0
157.10019	1.0
159.02922	1.8
162.78360	1.0
172.09691	4.3
175.11421	5.8
175.14830	100.0
176.15158	1.8
183.42258	1.1
190.10832	0.8
193.12259	5.5
193.15901	11.8
206.65002	1.0
226.06401	0.9
231.04991	3.1
249.06174	1.8
249.77528	1.0
294.81210	1.2
404.27417	1.1
422.29083	19.3
440.30087	20.6
458.31247	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	476.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09372	0.9
53.03940	5.3
55.01884	2.1
55.05518	10.6
57.03452	1.4
57.07074	2.6
60.04525	17.2
65.03932	1.8
67.05510	16.4
68.05028	1.5
69.03431	6.0
69.07072	13.9
70.93820	1.5
70.94139	1.9
71.05006	5.3
73.02920	1.9
77.03905	1.6
79.05494	28.3
80.05038	2.7
81.03425	5.3
81.06590	2.3
81.07058	34.0
82.06605	5.1
83.04964	2.8
83.08620	2.9
85.02911	12.1
85.06552	1.9
87.00818	5.3
91.05488	66.7
93.06487	2.2
93.07052	35.3
94.06554	9.5
95.04967	7.5
95.08611	27.3
96.08126	2.2
97.02915	8.4
97.06551	3.0
99.04424	3.5
99.08104	6.0
103.05496	1.5
105.01875	9.4
105.04515	2.1
105.07037	85.4
107.04998	2.3
107.08599	26.9
108.08089	7.5
109.02847	3.4
109.06541	8.3
109.10169	6.2
112.07590	3.0
113.09653	3.1
117.07014	3.7
119.04945	4.4
119.08588	77.1
121.10126	7.2
123.08073	1.7
123.11704	6.8
124.07584	4.0
126.09130	2.4
127.03928	8.2
128.06183	1.8
128.07054	1.9
129.07018	11.9
131.08565	14.0
133.10138	100.0
135.11697	34.6
135.12729	1.7
136.07581	4.8
137.06010	4.3
137.09630	4.4
142.07695	1.3
142.08670	5.1
145.04968	5.0
145.06488	1.3
145.10149	3.2
147.08012	2.5
147.10661	1.9
147.11705	19.5
149.13254	3.4
154.08641	15.8
157.10156	6.8
159.02911	1.6
159.11751	1.1
172.09700	7.7
175.11232	30.4
175.14832	71.5
190.10742	3.1
190.85274	1.5
193.12251	27.9
193.15894	7.4
226.06270	2.4
231.05035	3.5
249.05949	2.3
322.12158	1.6
345.42758	1.3
355.15311	1.7
392.27936	1.1
404.27917	3.6
415.17294	1.3
422.29044	56.5
440.30127	49.3
458.31158	9.3
459.16763	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.3
55.01870	1.8
55.05509	1.9
67.05494	1.1
68.41006	0.8
69.03414	3.5
69.07065	7.2
73.02934	2.6
76.08585	1.2
79.05506	1.7
81.03407	3.1
81.07052	2.1
85.02912	7.6
87.00818	3.4
91.05475	2.7
93.06995	1.5
95.08598	4.3
97.02891	4.3
97.06525	3.4
99.04446	1.5
100.37983	0.9
105.01862	2.5
105.07037	7.1
107.08578	3.3
109.02838	2.6
109.10178	1.2
117.06997	1.2
119.08585	29.7
120.77675	0.9
121.10138	2.9
127.03879	5.0
133.10135	26.9
135.11720	1.7
140.85196	1.0
145.04956	2.8
145.10130	1.8
147.11679	4.3
159.02898	3.3
173.13310	1.5
175.14828	100.0
175.37007	0.9
176.15157	1.8
177.16428	1.5
193.15936	4.6
207.00607	1.1
226.06171	2.2
231.05074	1.4
322.12045	2.8
337.14368	3.1
340.13101	1.7
355.15405	4.3
401.59930	1.0
415.17508	2.0
458.18140	2.0
459.16388	3.7
476.19058	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	476.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22709	0.6
51.63033	0.6
55.01865	2.1
55.05515	1.6
56.05034	2.1
58.02668	0.6
64.79588	0.6
67.05500	0.8
68.05019	0.7
69.05804	1.4
70.06596	3.7
70.48771	2.0
71.07381	0.6
73.02924	7.1
82.06589	1.0
84.08148	100.0
85.95452	0.6
86.09689	1.2
98.06049	6.9
98.09689	2.5
107.04914	0.6
114.09159	6.5
122.06056	1.6
123.06845	0.7
125.63716	0.7
126.09164	11.9
127.74833	0.6
136.05252	1.4
141.06984	0.8
148.07611	0.9
150.05560	1.9
151.06325	2.0
159.08047	1.0
169.06517	1.7
176.07071	15.9
176.08534	1.0
176.10760	1.7
177.09138	2.5
183.08173	0.9
192.13863	1.7
193.14653	1.4
197.05995	11.7
204.10210	19.0
205.10997	14.5
206.11803	3.9
211.07629	0.9
215.07037	9.4
215.08946	1.0
220.09610	0.7
221.14168	1.4
225.77467	0.7
226.06303	2.4
227.07042	27.8
241.08655	0.9
248.12764	3.1
249.13609	4.2
250.83252	0.7
267.06631	1.1
287.08966	0.8
331.08264	2.7
352.15259	1.2
370.16476	6.3
388.46094	0.7
414.15207	13.5
414.19241	24.3
415.51080	0.7
432.20215	37.4
458.18140	18.1
476.19260	13.4
500.90219	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.6
55.05513	18.3
57.07062	4.1
59.37016	3.1
67.05504	31.2
67.82588	3.2
69.03427	5.9
69.07064	23.5
71.04993	26.2
71.28490	6.0
79.05500	21.4
81.07059	45.6
83.08608	11.5
85.02896	6.7
85.06551	70.1
91.05486	20.9
93.07050	50.5
95.08610	62.3
97.06524	11.4
97.10155	9.3
99.08086	6.6
105.07024	43.2
107.08591	100.0
109.02892	3.7
109.06512	3.8
109.10171	53.6
111.08086	9.7
113.09676	3.6
118.65060	4.3
119.08576	40.7
121.10141	68.2
123.08055	6.2
123.11710	21.7
123.43396	3.1
131.08568	7.7
133.10143	40.8
135.08009	3.1
135.11691	54.9
137.13290	13.4
142.12946	3.3
143.08623	3.6
145.10129	14.1
147.04370	7.6
147.11697	26.7
148.05048	3.7
149.13254	24.9
151.11150	3.4
151.14821	4.0
153.09056	5.4
153.12804	20.6
155.33960	3.2
157.10068	5.6
159.11720	16.6
161.13263	80.2
163.14835	20.8
165.09120	14.7
167.10641	8.5
171.11758	3.8
173.13272	11.0
175.14815	16.1
177.16295	7.1
179.10640	5.4
181.15886	12.9
187.14864	8.0
189.16415	9.4
191.17868	7.1
193.15813	4.6
201.16377	4.3
203.17993	9.4
207.13710	4.2
215.18056	5.7
217.15878	5.0
217.19653	9.0
221.15479	7.7
229.19487	6.1
233.15564	3.3
235.16943	8.8
243.21107	7.0
255.74347	3.9
275.20038	4.1
283.09601	3.8
289.25287	4.5
303.23294	8.1
317.24457	5.1
413.33975	6.4
431.35208	7.0
439.35629	11.4
457.36795	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.3
55.01869	3.2
55.05503	7.4
57.03433	2.5
57.07055	2.8
67.05500	16.3
67.40852	2.6
68.99790	13.9
69.03424	4.6
69.07088	14.9
70.09660	4.3
70.10042	4.4
71.04990	9.7
79.05492	13.7
81.03419	7.7
81.07065	25.0
83.04993	4.2
83.08623	7.8
85.02908	4.9
85.06551	29.2
91.05500	25.3
93.07056	27.1
95.04971	4.7
95.08615	28.1
97.02917	2.2
97.06538	8.3
97.10161	8.1
99.08104	5.3
103.05470	2.3
105.07023	22.8
107.04949	6.5
107.08589	39.0
107.11444	2.2
109.10170	29.0
110.08570	2.2
111.00755	3.3
111.08091	6.1
113.09699	3.3
115.05463	3.9
117.07001	3.0
119.04961	24.9
119.08598	23.2
121.10135	34.2
123.04423	5.3
123.11714	12.6
125.09624	3.6
131.04918	6.0
131.08560	4.9
133.06516	3.3
133.10152	15.5
135.08047	2.8
135.11697	21.9
137.02353	10.7
137.05975	3.4
137.09589	5.2
137.13249	5.2
141.07062	2.8
144.30013	2.4
145.06537	2.6
145.10135	8.0
147.04413	100.0
147.11696	13.3
148.04782	2.6
149.09534	4.6
149.13290	9.5
151.14865	2.4
153.12758	9.6
157.10124	4.4
159.04404	4.4
159.11714	10.4
161.05968	5.2
161.09628	2.5
161.13255	26.7
163.11122	2.9
163.14844	9.6
165.09106	29.3
167.10724	2.5
171.04408	9.8
173.09743	3.8
173.13232	3.4
175.03880	13.7
175.14822	11.0
177.04160	3.3
177.05469	15.9
177.16359	3.1
181.15915	6.1
185.13315	2.4
187.03877	2.5
187.14819	3.4
189.05463	24.5
189.16411	5.9
191.17961	3.8
193.15863	3.1
197.05884	2.3
199.03922	6.9
201.05476	3.2
203.03337	11.2
209.19017	6.2
215.06975	3.0
227.03383	12.0
227.19998	2.6
228.04927	2.8
235.17006	4.7
243.21046	5.5
245.04459	28.8
247.17119	2.5
253.84387	2.3
269.04572	3.3
271.02332	4.4
273.09058	2.9
287.05392	5.5
303.23288	3.0
307.09555	4.2
317.24692	2.5
335.09146	5.1
363.08530	9.1
365.10254	23.0
383.22284	2.9
387.08090	2.7
389.10349	3.0
391.08054	9.9
413.34109	4.1
415.08078	8.4
433.09235	6.9
439.35626	4.1
457.09125	8.7
457.37009	3.3
469.49808	2.4
475.09979	3.4
475.21573	3.2
475.27460	5.6
476.25958	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91430	0.6
53.03945	1.7
55.05513	5.5
57.07074	1.5
59.04958	0.7
60.03621	0.6
64.64399	0.7
66.55206	0.6
67.05512	11.5
69.07069	7.5
69.24505	6.2
71.05000	5.8
79.05499	6.6
81.07059	17.2
83.04987	1.5
83.08620	4.5
85.06550	17.4
91.05485	5.9
93.07053	13.8
95.04974	1.5
95.08614	20.2
97.06548	2.2
97.10149	2.9
99.08097	3.3
105.07029	10.4
107.08605	21.4
109.10164	21.0
111.08102	3.0
111.11739	1.2
113.09624	1.1
117.07043	1.4
119.08584	13.0
121.10151	18.3
122.07285	2.0
123.11723	6.5
125.09644	1.2
125.13253	0.9
131.08577	2.3
133.10138	10.0
135.08043	1.3
135.10678	1.2
135.11691	12.2
137.09631	11.2
137.13283	4.0
139.11211	1.3
143.08533	0.7
145.02924	0.6
145.10129	4.1
147.11685	6.4
149.09636	4.9
149.13268	7.3
151.11214	0.6
151.14813	1.4
153.09163	0.8
153.12730	5.6
157.10104	0.9
159.11684	5.5
161.09628	0.8
161.13263	18.4
163.11160	0.7
163.14856	6.4
165.09122	100.0
166.09480	2.1
167.10696	3.0
171.11720	0.7
173.13223	3.0
175.14850	4.2
177.09105	2.3
177.16440	2.5
179.10701	1.3
181.15912	3.3
185.13206	0.8
187.14828	2.7
189.16365	3.4
191.14383	0.6
191.17996	0.9
193.15862	2.1
199.14890	0.9
201.12685	0.9
201.16377	2.0
203.10544	1.1
203.17938	2.7
205.12292	5.5
205.19615	0.8
207.13756	1.1
207.17467	0.9
209.19003	1.3
215.17915	1.7
217.15843	1.1
217.19534	2.1
221.15364	1.8
229.19527	1.0
231.21057	0.8
235.16945	3.5
243.21132	1.0
246.10387	0.7
255.20891	0.8
261.18512	0.9
275.20190	1.4
275.23819	0.7
277.25180	0.9
289.21622	0.8
289.24945	1.0
303.23141	2.4
315.23276	0.8
317.24707	2.4
329.24789	1.2
331.26270	0.8
343.26230	1.4
385.34552	0.9
399.32819	1.1
413.34128	1.9
429.33865	1.7
431.35159	1.2
439.35620	2.6
457.37463	3.1
475.27478	0.9
475.33569	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.8
55.01879	3.1
55.05510	15.8
57.03455	4.4
57.07079	6.8
63.00833	2.3
67.05514	29.7
69.03439	5.7
69.07068	25.6
70.62492	3.7
70.62836	4.9
71.05002	21.5
71.43504	2.9
72.83734	2.6
76.30188	2.5
79.05499	36.2
80.47661	2.4
81.03442	3.6
81.07063	56.6
83.08643	14.1
85.02919	6.4
85.06549	75.4
87.00836	3.6
91.05482	26.3
93.07051	71.2
95.04959	5.6
95.08616	71.2
97.02905	2.6
97.06542	8.2
97.10178	10.6
98.20742	3.2
99.08102	8.2
103.05497	4.6
105.07042	43.1
107.04945	4.6
107.08604	100.0
109.06506	5.4
109.10162	64.6
111.08074	14.7
113.09661	4.2
115.14762	2.4
117.07027	5.8
119.08593	52.5
121.06505	2.8
121.10162	75.6
123.11723	30.3
125.09630	8.5
127.03925	5.1
131.08560	9.5
133.10149	39.3
135.11703	85.1
136.87857	2.3
137.09625	6.7
137.13283	13.4
139.07530	6.3
139.11211	6.4
145.10150	9.4
147.11691	28.2
149.12170	4.6
149.13271	33.1
150.13731	3.3
151.14812	4.6
153.09155	5.4
153.12733	23.0
155.08485	2.6
157.10123	4.9
159.11732	17.7
161.12000	5.7
161.13266	81.5
163.14821	24.3
165.09120	39.2
167.10701	6.2
171.11716	3.6
173.13275	9.7
175.14822	17.4
177.12733	10.8
177.16406	8.2
179.14331	2.8
180.80005	2.5
181.15906	11.6
185.13304	2.6
187.14847	11.4
189.16373	12.4
191.17914	6.8
193.12201	2.9
193.15932	8.1
201.12486	2.9
201.16486	8.4
203.17918	9.1
207.13776	3.7
209.15381	22.9
209.19044	4.3
215.17989	5.5
217.15952	4.7
217.19588	8.9
219.13742	3.7
221.15501	5.9
227.10104	4.5
229.19507	6.9
233.15414	4.7
235.16959	13.4
235.20590	3.6
243.21114	3.8
247.17020	4.6
255.20978	2.7
261.18518	4.8
275.20041	3.5
275.23669	4.5
285.22467	3.3
289.21658	4.7
299.23865	2.7
303.23203	6.9
317.24814	7.9
329.24927	3.5
343.26294	4.5
365.31964	3.4
399.32462	5.3
411.36298	3.5
413.33841	5.2
414.22562	3.3
431.35239	6.4
439.35706	10.1
457.37115	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	475.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	2.9
53.79851	2.8
54.67420	2.5
55.05510	24.2
57.03446	5.1
57.07071	7.6
60.97943	2.4
65.03938	3.5
67.05509	43.1
69.03423	3.5
69.07076	30.4
69.88759	12.1
71.04998	27.4
78.46545	2.5
79.05502	34.7
81.03407	4.8
81.07057	68.5
83.04971	4.6
83.08623	15.8
84.57031	2.2
84.62255	2.6
85.06550	88.0
91.05491	35.3
93.06487	4.6
93.07049	65.8
95.05001	7.3
95.08611	86.2
97.06534	21.5
97.10185	8.3
99.08098	11.7
105.07033	54.5
107.04990	3.2
107.08598	100.0
109.06537	6.4
109.10165	79.9
111.08083	11.8
117.07047	5.8
119.08584	53.8
121.06495	2.8
121.10149	97.0
123.08099	7.5
123.11713	29.2
125.09657	6.2
131.08591	15.0
133.10144	44.7
135.11699	62.7
137.09602	5.1
137.13245	19.3
139.11182	9.2
143.08617	3.5
145.10114	18.4
147.11679	33.7
148.07544	2.6
149.09637	4.2
149.13263	38.4
151.11163	3.9
151.14870	6.6
153.12753	23.1
157.10141	7.4
159.07918	3.2
159.11708	31.0
161.13269	82.6
163.11258	4.4
163.14842	29.9
165.09122	10.4
165.12791	2.7
167.10692	14.0
167.14407	3.2
171.11745	4.9
173.13217	14.4
175.14825	22.9
177.12814	2.8
177.16431	11.6
179.10718	6.1
179.18019	3.1
181.15875	14.9
185.13258	3.0
187.14853	10.2
189.16370	14.0
191.17981	8.4
193.12273	3.9
193.15889	5.6
199.14792	4.5
201.16422	9.7
203.17998	10.4
204.10197	3.4
205.19438	3.4
207.13734	4.2
209.15407	2.9
209.19064	2.7
213.16460	4.0
215.18050	4.7
217.15884	5.1
217.19591	11.3
221.15424	7.0
221.19057	4.1
223.20563	3.1
227.17975	2.7
229.19583	6.0
231.20978	3.5
233.15398	3.3
235.16902	18.5
235.20599	6.1
243.21225	6.2
247.16966	4.9
249.22147	3.3
255.21191	3.4
261.18387	4.6
271.23999	3.9
275.20032	5.9
281.22598	2.8
291.23282	3.6
303.23221	8.8
317.24695	10.6
329.24628	3.0
343.26416	3.3
368.15768	3.4
376.51736	2.7
399.32330	3.3
410.16882	16.5
411.36218	5.5
413.34247	8.7
428.17639	3.5
431.26123	13.1
431.35324	7.1
439.35861	18.0
457.37027	18.9
475.19141	3.8
475.28061	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90273	1.6
53.03940	3.0
55.00779	1.4
55.05512	15.7
55.88852	1.5
57.07074	16.5
65.03947	2.3
67.05177	2.2
67.05504	24.5
69.07072	33.5
71.08616	5.7
71.49441	1.8
72.47361	1.3
79.05497	12.6
81.07057	74.3
83.08161	1.7
83.08621	19.3
85.06557	2.5
85.10149	1.6
86.64933	1.5
91.05477	9.1
93.07043	30.3
95.04974	2.8
95.08609	100.0
97.06509	3.5
97.10160	12.2
105.07026	13.4
107.08596	45.5
109.06513	1.6
109.10159	54.0
111.11709	6.1
115.07539	3.1
119.08581	16.8
121.06510	3.9
121.10146	42.9
123.08052	2.0
123.10841	2.8
123.11710	46.7
125.13274	3.0
131.08511	1.9
133.10139	13.2
135.08054	3.1
135.11684	27.0
137.13266	47.0
139.07530	2.6
145.10104	6.0
147.11665	11.9
149.09636	3.5
149.13264	26.6
151.14841	8.4
153.09087	2.9
159.11690	6.1
161.13228	9.5
163.11240	2.0
163.14851	18.6
165.16347	2.2
167.10667	3.7
173.13297	3.8
175.11270	1.9
175.14813	6.1
177.12743	1.7
177.16434	11.8
179.14259	2.6
179.17906	3.0
181.12244	3.4
187.14803	4.5
189.16402	3.3
191.14281	2.6
191.17947	12.0
195.13780	3.8
201.16278	3.1
203.18008	2.7
205.15933	3.4
205.19519	17.4
209.15387	5.8
213.16139	1.6
215.17894	3.3
217.19507	4.2
219.21082	9.1
221.15260	1.7
223.16891	5.6
231.21117	4.5
233.22617	6.7
236.74493	1.5
237.18553	3.5
245.22630	2.4
249.18506	2.7
251.04668	16.6
251.20039	2.1
263.20145	3.6
277.21500	3.3
279.23325	2.2
285.25754	1.8
289.21420	2.0
291.23227	4.0
305.24634	2.0
307.10938	6.2
363.17093	12.6
369.35016	6.0
373.30814	2.2
375.75751	1.4
393.35165	1.9
411.36182	9.6
415.35635	4.8
419.23541	1.8
419.31091	1.8
429.37311	42.1
430.37708	2.9
439.35672	7.7
457.36798	6.8
475.32330	23.3
475.37881	20.4
476.32626	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.5
57.07077	4.0
67.05491	2.9
67.12774	0.8
68.37360	0.8
69.07073	3.7
71.49805	0.9
79.05519	1.4
81.07045	5.6
83.08650	2.1
91.05473	1.9
92.01283	0.8
93.07027	2.6
95.08612	8.6
100.99209	0.8
105.07063	2.4
107.08602	2.5
109.10173	3.3
113.37400	1.0
117.07073	0.9
119.08566	2.6
121.06521	1.7
121.10165	2.6
123.11704	4.3
130.17548	0.7
133.10136	1.9
135.08034	0.9
135.11703	2.4
137.13310	3.9
145.10144	1.5
146.10378	0.9
147.11693	2.0
149.13322	1.6
159.11621	1.1
161.13255	1.2
163.14757	1.0
167.10794	0.9
175.14853	1.4
191.17998	3.0
207.13837	2.7
217.19539	2.3
241.19525	1.2
242.33682	0.8
244.61076	0.8
250.06131	0.9
251.04761	5.0
252.02266	0.9
255.21388	1.1
307.10883	1.2
351.19452	1.0
363.17032	3.9
393.35187	2.5
429.37286	1.4
439.35834	9.0
475.21115	5.7
475.31998	100.0
476.32208	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	475.3785
Annotation	Chichipegenin
Peak:m/z	Relative Intensity
52.26208	3.8
55.05520	17.4
56.89704	3.9
57.03424	6.0
57.07081	29.8
57.18486	3.6
59.04991	4.1
67.05507	29.0
69.03429	4.1
69.07063	26.8
71.04979	3.9
71.08611	5.9
71.49451	4.2
72.08147	6.5
77.90592	3.8
79.05506	19.7
81.07062	58.1
81.62220	3.6
83.04960	4.3
83.08620	18.5
91.05474	14.6
93.07044	42.1
95.04970	6.5
95.08617	76.3
97.06464	4.3
97.10185	9.6
105.07037	24.6
107.08591	50.9
109.06532	5.2
109.10167	47.6
111.08083	8.6
113.09660	6.9
117.07070	3.4
119.08588	23.7
121.06493	5.6
121.10141	45.9
123.11711	31.7
125.09624	9.9
131.08565	9.2
133.10143	21.5
135.11685	54.8
137.13252	21.1
145.10121	12.6
147.11697	25.2
149.09637	6.3
149.13281	25.3
151.11227	6.4
153.07047	4.3
153.09126	9.6
159.11688	13.9
161.13263	14.3
163.14850	30.4
173.13235	13.9
175.14874	17.9
187.14766	5.1
189.16434	10.5
191.14325	6.5
191.17940	68.6
199.14799	4.6
201.16478	7.1
203.17986	6.1
205.19571	8.8
209.15421	20.0
217.19566	10.6
219.21263	4.0
229.19490	9.3
231.21133	7.6
235.16867	5.0
237.14972	4.1
247.20380	3.8
251.04710	66.1
257.22549	6.7
265.17963	7.5
271.24286	6.1
273.11581	3.6
307.10938	21.0
363.17191	47.7
367.28482	4.3
369.27881	7.9
387.28714	5.2
393.35162	9.1
411.36075	10.3
419.23431	10.4
439.35815	100.0
457.36893	59.1
475.32349	49.8
475.38367	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	475.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.6
55.01876	3.3
55.05519	11.4
57.03448	20.7
57.06804	2.3
57.07080	45.9
59.04991	8.8
61.02932	51.4
67.05508	21.4
69.03436	23.2
69.07075	13.0
69.30064	17.7
71.01340	2.6
71.04996	4.3
71.08640	33.8
73.02927	22.8
79.05505	10.1
81.03431	15.4
81.06644	2.9
81.07066	26.0
83.04978	3.5
83.08630	16.6
85.02911	52.7
85.10188	20.8
87.04471	5.0
91.03969	37.4
91.05475	7.5
93.07032	6.5
95.04955	2.2
95.08617	40.6
97.02903	50.9
97.06528	3.5
97.10180	10.0
99.04461	10.0
99.08069	2.0
101.02401	10.9
103.03931	8.9
105.07034	7.0
107.04968	2.2
107.08571	5.4
109.02889	10.7
109.10159	17.8
111.11709	1.9
115.03919	3.9
117.05479	3.3
117.06953	2.3
119.04975	3.3
119.08578	7.8
121.10130	3.9
123.11718	8.3
126.84257	2.0
127.03924	22.2
129.05501	5.2
131.08513	3.1
133.10152	5.1
140.42497	2.0
141.79248	2.5
143.08545	2.7
145.04977	9.0
145.10083	5.1
147.04431	21.3
147.11655	3.7
159.06569	3.1
159.11711	4.2
171.11639	3.2
183.06509	4.7
201.07616	4.8
202.47853	2.3
236.14938	4.2
239.23692	27.9
257.24774	4.9
313.27393	100.0
341.26825	2.7
365.28412	2.6
383.29251	5.8
457.31964	9.5
475.33334	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	475.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.2
55.01857	0.2
55.05519	2.2
57.03441	1.7
57.07071	0.9
58.06591	1.3
59.04981	0.3
59.07375	0.4
60.08144	0.2
61.02914	0.2
64.39230	0.2
65.03937	0.9
67.05515	1.5
69.03410	0.2
69.07072	2.1
70.71215	0.6
71.08617	0.4
79.05492	1.1
81.07059	2.1
83.04967	0.3
83.08617	1.3
84.16022	0.2
87.04470	0.4
91.04903	0.4
91.05485	7.6
93.07061	1.0
95.05000	0.4
95.08609	2.0
97.06536	0.6
97.10165	0.7
105.07034	0.6
107.04974	0.3
107.08609	0.9
109.10149	0.8
117.07031	0.2
119.04952	19.7
119.08561	0.5
121.06514	0.3
121.10133	0.9
121.10938	0.2
123.04458	0.2
123.11723	0.2
129.07129	0.2
131.08563	0.4
133.10118	0.5
135.11714	0.4
144.10173	0.3
145.10149	0.3
147.04420	100.0
148.04747	1.0
149.13303	0.4
157.10181	0.3
159.11726	0.4
165.05496	2.6
184.07362	0.4
221.08188	0.3
236.14957	2.9
237.15277	1.8
259.47601	0.2
313.27371	0.3
363.28485	0.2
457.37689	1.0
475.30704	3.1
475.38251	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	13.4
57.03433	15.1
69.03423	23.9
69.07060	24.8
69.24427	63.5
69.24847	38.8
69.55238	13.1
71.04996	12.7
73.02904	17.6
77.16511	12.2
79.05502	19.3
81.03416	13.4
81.07051	23.9
83.82090	12.7
85.02892	68.1
87.55029	14.1
91.05473	26.9
93.07048	16.7
94.06554	11.6
95.04976	29.5
95.08582	14.3
97.02883	16.4
97.06550	66.8
99.04433	24.4
104.33768	11.5
105.07029	31.4
107.08579	33.1
109.06511	42.6
109.10168	25.4
110.43726	13.6
115.07590	10.9
119.08634	25.5
121.10162	23.6
127.03914	34.0
131.08525	23.3
133.10164	100.0
134.10446	38.3
135.08051	14.3
137.05977	18.2
145.04950	14.0
147.04454	12.3
147.11691	26.8
148.56412	14.4
153.39685	12.2
158.10989	17.1
159.07973	11.4
161.06033	13.8
163.03955	14.2
173.13261	51.7
174.13603	24.4
176.04410	11.9
183.18657	11.3
189.09070	13.1
191.14330	73.6
192.14632	25.5
207.12041	14.4
209.15277	85.8
218.09026	16.7
220.17072	16.8
227.16418	58.6
238.18013	21.7
322.12119	17.8
325.37396	12.1
337.14172	21.4
340.13120	17.2
355.15314	21.7
359.91406	12.3
414.16135	16.9
431.18893	16.4
459.16562	21.0
475.17627	61.6
475.35388	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	10.0
57.03445	11.2
65.76337	4.7
65.79053	4.5
67.05511	7.1
67.31307	5.6
69.03446	30.4
69.07064	8.8
69.28617	49.5
71.04983	10.7
73.02903	9.6
79.05453	6.9
81.03427	21.1
81.07039	17.2
81.11839	5.1
83.05000	11.1
85.02918	60.7
86.09690	7.6
87.00830	24.6
91.05478	8.4
93.07056	12.5
95.04984	37.7
95.08611	10.2
97.02899	16.3
97.06536	30.4
98.06831	6.0
99.04445	18.8
99.08124	7.4
105.01868	18.0
105.07028	23.0
107.08583	25.4
109.02867	18.3
109.06538	44.1
109.10157	14.6
115.07584	12.8
119.04939	6.0
119.08614	16.2
121.10154	18.6
123.04415	7.6
123.08083	7.0
127.03930	30.6
131.08556	13.8
133.10138	62.5
135.08040	6.1
137.05968	10.3
145.04980	11.4
147.11726	38.7
149.13336	6.5
153.09134	17.3
163.14838	11.3
165.12782	7.1
171.10114	9.9
173.13298	33.2
175.07507	7.3
179.07133	6.5
191.14326	51.5
209.15387	100.0
217.08466	7.6
223.57304	5.8
227.16443	56.2
231.05031	11.9
236.10042	5.3
283.06006	5.7
313.10764	14.5
350.36917	5.5
354.14154	6.8
396.15109	11.8
414.15817	8.0
431.18973	11.2
475.17603	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.4306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
55.05511	2.8
57.07071	2.7
66.76105	1.2
67.05486	4.1
69.07061	5.4
70.68655	3.4
71.07545	1.1
76.66541	1.1
79.05486	3.0
81.07059	7.7
82.16370	1.2
83.08606	2.6
93.07047	8.4
95.08604	14.7
97.10172	1.6
103.24580	1.2
105.07001	3.4
107.08596	13.7
109.10157	9.3
119.08581	4.8
121.10158	17.2
123.11703	8.0
125.62446	1.3
131.08606	1.4
133.10133	3.6
135.11696	8.8
135.79279	1.1
137.13272	6.2
144.91771	1.2
147.11673	2.3
149.13274	16.2
159.11665	2.1
161.13248	5.0
163.14812	3.0
173.13330	1.7
175.14919	2.2
177.16380	17.5
187.14839	1.5
191.17961	28.1
195.17444	22.4
196.06102	1.1
201.16199	1.1
205.19571	1.9
215.17946	3.3
217.19495	3.8
229.19514	2.7
231.21130	3.7
233.19043	2.3
247.20567	1.4
250.06244	1.3
251.20065	5.8
257.22635	1.8
262.08020	1.1
275.23773	1.3
285.25739	4.0
355.05530	1.1
355.29974	2.0
407.36740	1.6
425.37769	100.0
426.38174	2.3
443.38840	25.3
474.36688	1.6
474.43066	10.5
475.32486	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07085	9.9
61.85334	10.6
64.72279	9.7
64.82836	9.0
67.05494	11.4
67.56700	8.2
69.07054	18.2
73.17471	9.6
81.07058	41.7
83.08619	13.3
91.67490	7.8
93.07029	27.1
95.08602	60.4
100.89257	9.9
101.30237	9.3
105.07076	11.8
107.08606	33.4
109.10127	28.4
119.08554	13.1
121.10154	60.2
123.11704	20.9
127.46494	9.7
131.08620	10.4
133.10120	27.6
135.11693	36.8
137.13261	21.7
139.11192	10.5
145.10176	13.5
147.11720	22.5
149.13254	29.3
159.11716	10.7
161.13248	11.4
163.14801	23.0
167.10716	11.6
170.19574	8.9
173.13197	13.3
187.14816	20.6
207.13876	15.3
212.79851	9.1
245.22668	12.3
250.06221	12.4
271.24237	100.0
287.20108	25.7
297.57370	9.8
301.21683	10.2
362.18631	11.3
393.35165	24.5
394.70557	10.7
411.36374	16.5
418.25079	10.5
439.35614	90.8
474.35156	19.3
475.32751	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	474.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	3.5
55.05495	6.8
57.03428	3.2
57.06833	3.4
57.07077	37.0
58.06581	8.7
59.16768	2.7
67.05499	12.7
69.07071	14.3
69.45051	22.8
71.08624	7.5
79.05483	10.9
81.07065	27.2
83.08620	8.2
85.06529	3.7
85.10165	5.2
91.05474	12.8
93.07039	15.9
95.05011	4.1
95.08607	38.7
97.06519	8.3
97.10157	2.9
99.46211	2.8
105.07006	9.0
107.08595	20.0
109.06520	3.8
109.10157	29.8
111.08043	3.5
119.08558	11.5
121.10166	19.8
122.10464	4.2
123.08041	4.8
123.11684	9.5
127.11227	3.2
133.10101	7.3
135.11693	18.2
137.13263	7.8
145.10109	6.0
147.11679	11.8
149.13257	15.8
161.13249	4.5
163.14835	5.2
174.03169	11.4
175.14847	4.9
191.17952	100.0
192.18336	16.4
198.80777	3.1
201.16391	3.2
202.55959	2.7
205.15903	6.8
217.19601	13.7
223.16937	15.9
236.14828	4.1
250.06300	59.1
251.04669	27.8
254.16504	3.2
284.73996	3.2
306.12524	35.6
307.10840	10.1
313.27396	28.1
335.56424	3.1
339.61453	3.1
362.18784	49.0
363.17154	21.1
418.25076	31.4
419.23318	3.3
425.33804	3.8
426.34738	3.0
438.34448	6.0
456.35422	13.6
457.32599	4.3
474.30643	5.0
474.36700	11.0
475.32187	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	474.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	21.5
57.07067	30.0
67.05488	39.4
69.07048	55.1
69.27952	26.9
69.28355	91.4
79.05495	21.8
81.07055	77.4
83.08601	22.4
91.05482	25.9
93.07027	42.4
95.08611	100.0
97.06571	19.5
97.13164	11.9
105.07021	36.4
107.08613	62.1
109.10162	57.5
119.08560	45.9
121.10124	53.4
123.11701	24.6
133.10120	46.2
135.11641	19.8
139.11092	16.0
145.10147	26.1
147.11653	35.5
149.13226	34.6
151.07581	33.4
151.11191	84.1
153.12750	17.6
159.11707	30.5
161.13235	22.6
163.14835	41.8
165.12769	43.2
173.13260	16.6
175.14902	17.3
177.16351	15.7
187.14890	16.3
189.16403	84.1
191.17847	28.9
201.16360	21.7
203.17917	34.4
229.19492	54.3
243.21080	18.4
249.18617	26.1
250.06314	27.6
251.04694	29.3
263.19904	18.8
274.99368	12.5
306.12613	25.5
307.10944	15.8
341.28375	21.9
362.18915	37.2
363.17157	34.9
384.22687	12.4
418.25122	19.2
421.34631	23.2
439.35580	56.5
456.35532	29.6
474.23849	46.8
474.36533	41.6
475.32568	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	474.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52081	0.3
55.01877	0.3
55.05514	1.4
56.05032	0.5
57.03436	6.1
57.06794	0.4
57.07079	9.0
58.06601	39.8
59.05012	0.6
59.07085	0.4
59.07384	11.0
60.08167	11.1
67.05497	2.5
69.07070	1.2
69.24250	1.8
69.24657	0.7
71.08633	4.8
73.02927	0.6
75.04480	3.0
79.05516	0.4
81.07049	2.2
83.08622	1.8
83.87938	0.3
84.08138	0.8
85.02907	2.2
85.10186	2.8
87.04469	4.7
93.05542	0.4
93.07027	0.4
95.08602	3.6
97.10172	0.6
100.11264	0.6
101.06049	0.4
102.05512	0.3
103.03944	0.6
105.05534	0.8
109.10170	1.5
113.06018	1.1
123.11649	0.4
130.08661	0.5
131.07056	2.2
136.45148	0.3
144.10199	10.2
147.04443	1.0
159.06601	0.3
162.11259	2.1
200.12791	0.3
218.13940	0.6
223.07593	0.3
236.14928	97.6
237.15294	1.1
313.27280	1.5
369.30173	0.4
412.37808	0.9
450.02917	0.3
456.36856	26.2
457.37201	0.7
474.37924	100.0
475.38242	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.3
55.05513	1.6
55.23186	0.3
57.03439	5.9
57.07080	3.6
58.06603	27.4
59.04971	0.4
59.07386	8.4
60.08166	7.8
62.21075	0.3
67.05505	2.2
69.07083	1.6
69.07359	0.3
69.72285	0.8
69.72691	1.0
71.08633	2.3
73.02884	1.0
75.04485	3.3
79.05453	1.2
81.07059	3.4
83.04968	0.4
83.08575	1.0
85.02911	1.6
85.10155	1.0
87.04016	0.4
87.04475	5.3
91.05450	1.0
92.05798	0.3
93.05499	0.4
93.07021	1.1
94.07339	0.5
95.08613	2.7
97.10140	0.6
98.21506	0.6
98.98436	0.4
101.05971	0.3
102.05561	0.4
103.03930	0.8
105.05477	1.0
105.07054	1.5
107.08576	0.7
109.10129	1.0
112.99985	1.4
113.05993	0.6
117.07000	0.4
119.08562	0.6
120.08853	0.3
121.10119	1.0
121.68504	0.3
122.10464	0.5
123.11694	0.6
131.07053	2.1
131.08578	0.5
132.08891	0.3
133.10098	0.8
135.08025	0.4
142.28665	0.3
144.09148	0.3
144.10188	6.8
145.10172	0.6
147.11708	0.5
148.44849	0.3
157.10083	0.3
159.06552	0.4
159.11710	0.6
162.11278	4.1
163.11192	0.3
173.13272	0.4
184.07314	0.8
218.13863	0.7
236.14935	100.0
237.15230	1.3
270.22919	0.8
311.73651	0.3
333.24173	0.4
362.27841	0.7
456.36871	21.9
457.37094	0.6
474.37955	61.3
475.39297	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.27
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.3
55.01853	2.7
55.05512	8.4
57.03429	2.0
57.07078	1.3
61.02907	1.4
67.05505	11.3
69.03428	11.4
69.07066	8.0
70.82942	3.2
71.05004	1.4
71.82449	1.0
73.02899	2.4
79.05490	15.2
80.29616	1.1
81.03412	9.4
81.07060	31.4
83.04988	1.1
83.08599	4.9
85.02907	30.1
85.75156	1.2
87.00829	11.1
91.05492	7.1
91.05939	1.2
93.07041	24.6
95.04934	2.0
95.08611	42.0
97.02890	8.4
97.10162	3.1
99.04459	5.4
105.01884	17.1
105.07008	4.0
107.08589	21.2
109.02901	9.0
109.10163	25.0
111.11710	1.7
111.98951	1.3
117.01873	1.8
117.07002	1.4
119.08566	4.7
120.08929	1.4
121.10146	29.9
123.11699	3.9
127.03922	21.4
131.08606	1.3
133.10123	3.4
135.11691	38.5
145.04977	10.5
145.10124	2.2
147.11674	2.4
149.13249	7.3
159.02885	6.8
159.11757	1.1
161.13249	1.8
163.14848	1.8
187.14897	1.7
189.16396	6.7
191.17952	100.0
192.18257	1.8
196.67747	1.2
201.16335	1.4
203.17937	2.7
209.19133	1.9
213.16138	1.2
219.17348	1.2
221.19160	1.3
224.72868	1.1
227.18103	1.4
231.04987	5.2
249.06111	1.6
299.20096	2.1
317.21021	2.4
421.22385	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	5.7
57.03424	1.3
57.07084	17.2
60.34061	1.0
65.03927	2.1
67.05498	1.8
69.03425	1.5
69.07074	1.8
71.00776	2.5
71.01141	2.0
79.05452	1.5
81.03410	1.9
81.07040	3.5
85.02914	1.7
85.06530	1.6
89.70361	1.3
91.05462	1.1
93.07038	2.3
94.29541	1.2
95.08597	4.4
97.06526	2.4
99.49975	1.1
105.07027	1.8
107.08601	3.3
107.21757	1.1
109.10179	2.8
115.05354	1.1
119.08587	2.6
120.08925	1.2
121.02857	2.3
121.10182	2.5
131.08568	1.4
133.10107	2.6
137.09584	1.2
145.10164	1.2
147.11711	1.8
149.02353	100.0
159.11693	1.7
161.06049	1.3
161.13306	2.4
162.13547	1.3
165.09108	10.3
166.09491	5.9
175.07510	2.1
203.07054	6.5
204.25192	1.2
205.08621	7.1
248.11919	1.2
277.11377	2.4
277.14325	25.9
322.14127	1.3
363.68652	1.2
409.16388	2.6
430.25708	2.8
430.92612	1.0
499.59091	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.3
55.05511	3.5
67.05492	5.7
69.07063	8.2
71.48730	3.3
71.49086	2.3
73.02953	2.3
79.05497	12.4
81.07049	5.6
83.08630	2.7
85.02905	2.7
86.97071	2.1
91.05466	5.8
93.07032	4.2
95.04961	4.2
95.08596	4.8
96.41342	2.4
97.05925	4.6
97.06535	75.9
98.97608	3.0
101.44879	2.1
105.07031	3.0
107.08617	3.8
109.10142	4.7
117.06978	2.5
119.08570	3.0
123.04434	4.4
123.64722	2.3
133.10139	2.2
137.05974	6.1
145.10039	2.9
147.04515	3.6
161.05937	12.2
163.07532	4.5
165.09091	3.4
175.07480	3.9
176.07065	3.0
176.10753	6.5
191.07025	5.4
203.07034	5.8
204.10283	4.1
205.11034	3.6
209.06146	2.7
211.07567	3.1
219.10100	2.5
221.05994	4.6
225.09106	3.4
237.05508	4.1
239.06992	7.5
253.08562	2.5
255.06512	2.9
267.10052	5.2
269.08267	2.9
271.09637	10.6
285.56601	2.5
291.09970	3.4
295.09738	4.7
309.11206	7.2
310.18280	2.3
313.10614	18.0
323.12817	8.5
323.61145	2.6
325.14270	3.7
327.12408	3.7
331.11746	3.5
335.12628	2.9
347.12811	3.5
365.14063	14.3
367.15482	27.0
379.15445	3.7
383.14639	9.5
388.72269	2.4
391.15247	8.6
409.16495	100.0
410.16827	3.6
427.17575	27.5
430.25824	13.4
439.17633	3.9
474.28201	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	474.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.9
55.01869	5.2
55.05508	4.1
57.03448	1.6
59.00912	1.2
59.04998	3.3
61.02900	1.5
61.30815	1.2
67.05507	8.0
69.03434	7.7
69.07067	2.7
69.42832	10.1
71.04993	7.7
73.02907	2.8
79.05483	7.9
81.03416	7.3
81.07058	7.0
83.04970	1.3
83.08611	1.7
85.02909	15.3
85.06548	8.3
87.00832	6.8
87.04435	2.0
89.06052	1.4
91.05486	11.7
91.19055	1.3
93.07053	7.2
95.04962	7.1
95.08597	7.0
96.68666	1.2
97.02928	6.4
97.06533	8.4
98.20742	1.6
99.04414	3.1
101.06011	1.4
105.01870	4.6
105.07031	17.1
107.04935	3.3
107.08601	12.8
109.02895	5.3
109.06525	59.5
109.07284	3.1
109.10161	15.0
111.08137	1.7
115.05419	1.5
117.07047	4.1
119.08582	5.9
121.06546	2.2
121.10155	7.3
122.06043	1.9
123.08073	11.2
127.03923	9.7
129.07011	2.7
131.08571	20.8
133.10136	52.2
135.04486	2.2
135.08049	30.7
135.09013	2.3
137.05986	5.2
143.08562	2.3
145.04967	3.4
145.10172	7.4
147.08005	2.0
147.11710	5.7
149.09741	3.0
149.13268	3.7
150.05507	6.1
153.09091	1.9
157.10048	1.8
158.10896	4.4
159.02881	2.7
163.03896	2.2
163.14928	1.5
165.09180	1.5
173.13266	43.8
173.14713	2.6
191.14307	100.0
209.15369	44.3
209.17377	1.7
227.07130	2.6
276.12027	1.5
296.78101	1.4
324.95438	1.6
410.15643	1.7
430.75375	1.5
456.24026	4.4
474.09048	2.1
474.24841	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	474.1736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03970	0.9
68.75372	0.9
70.06571	1.3
71.47775	1.4
106.06527	1.1
107.04984	1.1
111.05573	5.4
120.04466	3.4
126.06615	3.4
132.04460	23.7
134.06007	3.9
135.04373	1.7
137.04721	2.5
137.05994	1.7
144.04497	1.1
150.78972	1.0
151.06158	8.9
163.03947	1.3
194.06767	5.1
196.66364	0.9
202.09776	2.1
206.11795	1.0
215.99597	1.0
227.09201	1.2
230.09279	1.5
242.09279	5.3
257.10352	5.1
259.11902	11.9
268.09686	0.9
284.11404	5.8
302.12430	15.4
303.05103	0.9
327.11887	4.7
330.65741	1.2
345.13074	100.0
346.13327	3.4
430.18732	9.6
456.16425	1.1
474.17538	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	473.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.7
54.65010	2.9
55.05282	3.5
55.05512	23.0
57.03427	9.1
57.07064	3.6
61.02911	6.2
67.05510	34.0
69.03426	10.6
69.07076	24.8
70.41908	2.6
70.60857	2.9
71.04987	12.9
71.48601	3.2
76.53379	2.4
79.05501	26.6
81.03419	12.1
81.07060	65.2
83.04989	6.9
83.08615	12.5
85.02917	6.6
85.06542	64.9
89.03905	2.9
91.05479	35.8
93.07054	55.9
95.04946	6.0
95.08611	65.6
97.06550	16.4
97.10156	12.7
98.97528	3.1
99.08091	8.3
103.05460	3.0
105.07034	50.8
107.04963	3.4
107.08599	71.4
109.06536	11.1
109.10165	57.6
111.08107	14.3
115.05447	4.5
117.07002	10.6
119.04962	7.1
119.08582	54.2
121.06559	4.3
121.10155	65.1
123.04432	4.2
123.08039	7.9
123.11717	21.5
125.09645	19.9
127.03910	3.4
129.07011	4.3
131.08569	18.4
133.06534	3.7
133.10132	47.3
135.04353	3.4
135.08102	3.2
135.11696	41.4
137.05998	29.2
137.09619	21.3
137.13269	4.8
139.11183	6.5
143.08525	5.5
143.10681	4.6
145.10159	19.5
147.11697	38.7
149.09619	12.6
149.13264	23.9
151.11185	10.0
153.09114	7.3
153.12715	4.2
155.10648	5.8
157.10126	9.7
159.11728	28.0
159.64548	3.1
161.06018	6.0
161.13263	66.3
163.14815	14.3
165.09126	100.0
165.10532	5.2
165.12787	5.8
167.10712	9.5
169.12263	3.9
171.11700	8.8
173.13268	18.7
175.11150	3.9
175.14821	19.8
177.16399	6.8
178.68443	3.0
179.10683	4.6
179.14352	5.1
183.11714	3.3
185.13242	7.2
187.07568	5.4
187.14867	14.3
189.16359	18.7
191.14363	3.5
191.17976	6.0
193.12225	5.1
199.14857	6.3
201.16414	12.0
202.10980	12.9
203.14311	2.8
203.17967	9.2
205.12256	6.0
207.17432	4.1
210.62312	4.9
213.16487	5.1
215.17932	9.0
217.15878	3.2
217.19482	5.8
219.17552	4.6
221.15350	5.9
229.19592	4.9
235.17076	7.0
243.21248	6.1
247.16943	4.4
249.18391	3.2
250.53471	2.9
256.68500	3.0
259.13275	3.1
261.18408	3.6
269.93854	3.1
303.23242	5.7
329.17435	5.3
364.21063	3.9
383.71127	9.1
397.31241	3.8
399.32513	6.8
409.34503	6.7
427.35736	12.4
437.34222	12.9
455.35611	25.3
473.36749	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
55.05508	7.9
57.03440	1.2
57.07075	2.0
65.03924	1.6
67.05502	16.0
69.03418	3.2
69.07073	9.9
69.32457	1.3
69.86845	5.6
71.04986	2.8
75.66078	1.2
79.05499	6.5
81.03378	1.2
81.06605	1.6
81.07055	23.5
83.04955	1.5
83.08601	5.3
85.06541	16.2
91.05473	10.0
93.07045	16.8
95.04954	2.6
95.08607	29.3
97.02868	1.4
97.06551	5.9
97.10149	2.3
99.08089	2.2
105.07029	15.5
107.08595	21.9
109.02917	1.3
109.06538	1.4
109.10165	20.6
111.08080	3.9
117.06998	2.1
119.08582	19.2
121.06492	2.1
121.10143	19.1
122.07280	1.9
123.08038	2.1
123.11700	7.6
125.09617	4.0
129.06998	2.0
131.08553	5.1
133.10139	12.7
135.08054	1.9
135.11682	14.2
137.05927	1.8
137.09608	12.6
137.13239	4.4
139.11169	1.4
143.08609	1.7
145.10110	7.6
147.11699	12.1
149.02296	4.0
149.09624	8.0
149.13252	8.5
151.11116	3.5
151.14803	1.7
155.10678	1.4
157.10097	2.9
159.11703	10.7
161.09589	2.3
161.13246	14.0
163.11136	2.0
163.14796	3.8
165.09116	100.0
167.10706	2.6
169.12259	2.3
171.11668	2.3
173.09499	1.4
173.13214	6.1
175.11136	2.6
175.14816	6.4
176.08618	1.1
177.09096	4.4
177.16335	4.3
185.13278	2.1
187.14801	5.1
189.09044	7.5
189.12691	1.6
189.16406	4.7
191.10481	1.4
193.04929	1.6
201.16406	3.9
203.10655	3.1
203.14348	1.3
203.17946	2.9
205.12254	6.3
207.17410	1.8
213.16411	1.5
215.17719	1.5
217.15964	1.9
217.19383	1.7
229.19496	1.8
235.16919	3.8
241.19554	1.7
257.22598	1.4
276.03522	1.3
303.23251	1.7
317.24808	1.9
367.26001	1.6
381.31552	1.2
399.32886	1.4
403.10028	1.4
427.31882	4.6
429.11273	1.8
437.34018	4.7
443.35312	1.6
444.85544	1.5
455.30588	4.8
455.35233	6.5
473.14545	1.9
473.26611	1.9
473.32532	6.9
473.37186	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.7
55.05517	10.7
56.86975	1.8
57.07076	1.8
65.03938	3.7
67.05511	24.0
69.03422	4.4
69.07079	16.9
70.46260	4.4
70.46606	2.8
71.04988	6.6
79.05489	15.4
81.07062	38.5
83.04980	2.2
83.08605	6.4
85.06548	38.5
91.05482	14.2
93.07049	31.4
95.04985	3.7
95.08611	50.5
97.06534	9.5
97.10151	2.9
99.08057	4.8
105.07035	30.7
107.08604	40.6
109.06551	4.3
109.10156	33.3
111.08083	9.6
117.07040	4.2
119.08589	35.6
121.10143	45.0
122.07352	2.2
123.08058	3.0
123.11718	16.2
125.09669	10.0
127.11221	1.7
131.08563	9.8
133.10139	26.2
135.08089	4.0
135.11707	24.1
137.06012	2.8
137.09619	17.9
137.13242	4.7
139.11227	3.3
141.44167	1.7
143.08571	4.0
145.10115	12.4
147.11703	22.3
149.02347	15.6
149.09595	9.2
149.13272	11.8
151.11201	3.3
151.14804	2.6
153.09100	2.9
153.12727	2.5
155.10654	5.1
157.10147	3.8
159.11728	20.0
159.12952	3.3
161.09634	2.0
161.13272	33.6
163.11179	2.5
163.14819	9.4
165.09116	100.0
165.12758	4.4
167.10696	7.5
171.11700	3.8
173.13258	11.5
175.11194	2.7
175.14828	12.0
177.09119	2.8
177.16379	5.9
179.10686	2.8
183.11620	1.8
185.13211	2.8
187.14812	7.7
189.09117	3.3
189.12685	2.7
189.16396	14.5
191.17958	3.9
193.04950	2.8
195.13905	2.1
199.14874	2.6
201.16399	8.5
203.10690	2.3
203.17963	6.7
205.12259	9.7
207.17395	4.2
213.16444	2.5
213.93887	1.8
215.17880	4.0
217.15897	1.9
217.19478	4.0
219.13846	2.5
219.35521	1.9
221.15363	2.5
229.19507	3.5
231.17470	2.3
231.21089	2.0
233.15280	2.5
235.16953	7.5
243.21246	1.9
255.20952	2.6
261.18469	2.8
285.33334	1.8
287.23618	2.4
331.26035	2.2
334.27869	2.0
343.33383	2.0
357.55661	1.8
399.32455	2.9
403.10440	2.8
409.34714	2.4
427.35678	5.7
429.11774	3.5
437.34293	10.9
443.34988	4.0
455.35898	13.8
473.14316	8.1
473.37219	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	473.3628
Annotation	Cyathic acid
Peak:m/z	Relative Intensity
53.03943	5.1
55.01886	4.5
55.05518	21.6
57.07071	6.2
65.03925	7.9
67.05500	37.2
69.03418	10.1
69.07069	31.8
70.68835	12.1
71.04985	16.0
79.05497	43.2
81.03392	8.3
81.06606	5.1
81.07060	88.1
83.08607	15.0
83.09065	4.3
85.02915	10.6
85.06552	63.7
91.05476	38.2
93.07050	70.1
95.04987	7.6
95.08064	7.2
95.08615	84.3
97.06532	23.7
97.10217	5.8
98.21532	4.2
99.04475	5.0
99.08081	12.4
101.86617	4.3
105.07037	71.7
106.06536	4.9
107.08595	100.0
109.02879	5.5
109.06523	15.1
109.10156	73.2
111.08063	15.1
117.07013	10.7
119.08591	62.5
119.75887	4.1
121.06491	5.6
121.09336	6.9
121.10147	95.1
123.08044	13.8
123.11709	29.2
125.09627	16.6
127.03860	4.9
129.06955	6.5
131.08598	22.8
133.10132	58.1
135.08070	6.4
135.11710	61.3
137.06006	8.7
137.09619	26.8
137.13266	10.9
139.11145	9.5
143.08560	7.2
145.10129	41.2
147.11714	42.8
149.02396	24.1
149.03452	8.0
149.09642	14.7
149.13268	37.3
151.11134	6.3
151.14839	5.2
153.12889	5.3
155.10677	4.9
157.10086	15.3
159.11717	42.8
161.13258	67.2
163.11115	6.3
163.14832	26.9
164.07111	5.1
165.09113	74.6
165.12727	9.5
167.10692	9.4
171.11714	10.5
173.13269	22.4
175.11243	4.7
175.14790	24.7
177.09140	5.1
177.16422	14.8
177.34662	4.5
179.10641	6.4
183.11566	5.9
185.13304	6.5
187.14879	22.6
189.12737	6.7
189.16396	25.0
191.14311	7.3
191.17990	13.3
193.04987	9.6
199.14865	7.1
201.16367	16.8
203.17987	19.1
205.15872	7.1
207.17430	15.5
209.15331	6.5
213.16406	7.1
215.18013	12.7
217.15846	7.2
217.19507	8.3
219.17401	10.0
221.15587	4.9
227.18127	6.1
229.19475	6.6
233.15450	5.2
233.18945	4.9
235.16978	9.4
255.21146	5.2
279.47705	4.4
334.17401	4.3
385.31595	4.7
399.32651	5.8
409.34607	19.8
413.33740	6.4
427.35571	18.8
437.34027	18.6
455.35388	44.1
473.14355	13.4
473.36594	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	473.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.1
55.01863	3.5
55.05502	12.8
57.03443	4.1
57.07066	3.8
59.04993	3.9
61.02940	4.7
65.03944	5.8
65.39771	2.5
67.05510	37.2
69.03426	8.0
69.07078	25.2
70.06606	3.4
71.04974	13.1
73.02928	7.0
79.05501	27.9
81.03430	17.0
81.07060	60.7
83.05000	8.3
83.08612	11.9
85.02921	8.3
85.06551	51.6
89.06036	4.8
91.05480	34.8
93.07060	42.8
94.46915	2.8
95.04986	7.6
95.08614	61.9
95.09186	5.2
97.02936	3.0
97.06535	12.2
97.10181	5.8
98.97579	2.9
99.08105	8.7
101.06039	2.8
103.03966	4.6
103.05464	4.0
105.06400	4.2
105.07047	51.5
107.04946	4.9
107.08601	58.0
109.06523	7.9
109.10164	47.3
111.08083	12.1
112.55813	2.7
115.05534	3.2
117.07027	7.1
119.04928	2.9
119.08601	52.8
120.18462	2.4
121.06553	4.7
121.10152	57.9
123.08127	5.7
123.11724	20.5
125.09649	18.4
127.03925	3.1
127.07553	2.5
129.07074	3.7
131.08594	13.6
133.10146	40.0
135.08034	4.4
135.11705	35.1
137.05969	22.9
137.09651	22.5
137.13258	4.4
139.11205	5.7
141.09123	2.9
143.08641	3.5
145.10139	19.3
147.04454	5.3
147.08040	3.4
147.11708	29.2
149.09621	13.4
149.13252	23.8
151.07600	5.2
151.11227	6.5
151.14775	3.1
153.09175	4.0
153.12703	2.8
157.10132	8.4
159.08113	3.0
159.11713	21.8
161.05981	4.4
161.09637	3.3
161.13283	41.2
163.11192	2.6
163.14818	13.2
165.09128	100.0
165.10536	5.4
167.10701	8.2
167.14455	2.8
171.11685	5.7
173.06023	3.5
173.13264	18.4
175.07506	4.6
175.11224	6.4
175.14819	21.2
177.09126	3.3
177.12711	3.3
177.16377	7.7
185.13304	5.3
187.07634	4.4
187.14824	12.9
189.09178	3.9
189.12819	3.4
189.16386	15.4
191.14340	4.1
191.17972	5.1
193.12285	5.8
193.15961	3.3
197.13223	3.0
199.14905	3.2
201.16367	14.5
202.11087	3.1
203.10707	4.2
203.14337	5.1
203.17957	11.0
205.12395	5.9
207.13950	3.1
207.17546	6.0
210.62199	5.7
213.16324	4.8
215.17950	7.9
217.15880	4.9
219.17404	3.3
221.15460	5.1
235.16977	7.3
247.16983	3.5
261.18585	5.9
275.19800	2.8
281.08441	5.1
291.23145	4.0
353.10361	15.9
366.18933	4.2
374.70502	3.6
399.32410	3.9
409.34665	4.7
427.35678	11.7
437.34186	9.2
443.34854	3.4
455.35376	18.7
473.24182	5.3
473.37119	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	473.363
Annotation	Aceriphyllic acid A
Peak:m/z	Relative Intensity
52.34804	5.6
55.05500	18.3
58.06580	14.5
60.08160	5.9
61.02905	7.7
63.32930	5.2
67.05499	23.4
69.07063	19.2
69.26397	53.1
76.61259	5.5
77.85603	5.9
79.05508	19.8
81.07079	26.8
81.75117	6.3
83.08628	9.4
91.05471	18.0
93.07052	30.2
95.08614	46.7
103.10249	5.8
105.07025	26.0
107.08598	52.5
109.06516	8.6
109.10142	31.5
117.06925	5.6
119.08586	63.4
121.10155	43.0
123.11741	7.1
125.25443	6.6
131.08553	12.4
133.10153	35.6
135.11697	17.4
138.14468	5.9
145.10149	30.5
147.07945	5.9
147.11705	24.5
148.86014	6.3
149.09596	8.6
149.13269	14.1
159.11736	33.4
161.13286	21.4
163.11165	17.2
163.14835	11.9
175.14854	18.2
177.16376	25.8
184.07335	19.4
187.14818	45.0
189.16418	64.2
191.18001	8.6
201.16386	6.8
203.17943	70.7
205.15884	100.0
205.19540	11.8
207.17455	10.9
223.16920	7.7
236.14957	21.9
237.15253	20.4
240.51552	6.1
249.18497	24.1
251.22115	5.0
273.56976	6.6
279.33646	5.5
311.25668	13.4
313.25009	8.6
391.33530	6.9
409.34561	35.6
437.34290	40.0
455.35529	17.6
473.37039	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	473.3629
Annotation	Odoratone
Peak:m/z	Relative Intensity
53.03928	2.7
55.01876	3.2
55.05514	18.4
57.03456	3.4
57.07064	5.6
58.06588	13.1
59.06924	3.1
60.08152	3.5
67.05503	16.3
67.55125	2.6
68.64119	3.0
69.03427	3.3
69.07070	46.6
69.45802	19.0
71.04984	4.4
73.06530	2.5
75.24246	2.5
75.60193	2.5
79.05476	11.9
81.07058	36.8
83.08619	8.7
84.74487	2.7
86.09695	4.1
91.05456	11.0
93.07050	23.7
95.04979	3.5
95.08599	40.1
97.06547	16.8
97.10191	4.0
105.05471	2.6
105.07003	17.1
106.39367	3.0
107.08588	30.7
109.06460	4.6
109.10165	19.8
111.08048	4.3
112.18329	2.8
115.07546	8.8
117.06976	3.2
119.08573	20.8
121.06487	4.8
121.10135	26.8
123.11683	12.2
124.99963	4.6
131.08560	7.5
133.10115	17.7
135.08089	4.8
135.11685	20.6
137.13260	7.4
143.08466	4.8
145.06464	5.3
145.10156	8.7
147.11696	15.9
149.09657	3.7
149.13277	10.5
157.10194	4.1
159.11694	8.8
160.12083	3.1
161.09653	3.4
161.13220	8.4
163.07433	4.0
163.11183	7.9
163.14742	4.5
171.08014	4.0
173.13184	3.7
175.11189	4.0
175.14868	6.8
177.16368	9.7
179.10712	2.9
179.14366	4.0
183.11668	3.1
184.07306	18.5
185.13231	4.1
187.14777	9.1
189.09074	3.2
189.16389	19.6
191.17885	22.8
191.34245	2.7
197.09584	2.7
199.11150	3.9
201.16370	3.5
203.10474	3.9
203.17944	19.5
205.15898	31.6
205.19458	4.0
207.17516	3.4
225.12767	3.0
236.14880	17.0
237.15240	11.0
249.18564	3.3
273.13528	6.7
279.51294	3.1
305.90744	2.7
341.24750	100.0
367.22372	4.5
391.29773	15.6
409.30240	4.4
409.34561	10.2
419.29553	5.9
437.30234	28.0
455.30728	7.0
455.36148	6.2
471.55344	3.1
473.37445	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	473.3631
Annotation	fatsicarpain E
Peak:m/z	Relative Intensity
55.05513	25.3
57.07068	13.7
65.03950	6.1
65.53255	5.2
67.05510	31.4
69.07069	42.9
69.28704	37.6
71.04961	5.2
71.08608	5.1
79.05048	3.3
79.05499	21.8
81.07060	50.8
82.18540	4.0
83.08630	23.7
85.06548	5.8
91.05465	14.8
93.07048	43.7
95.04955	8.6
95.08612	100.0
97.06522	23.1
97.10157	10.8
98.21583	8.8
99.04464	5.6
105.07027	28.3
107.08603	65.1
109.06498	7.6
109.09482	5.8
109.10167	77.0
111.08080	8.0
119.08578	48.5
121.10154	78.8
123.08070	13.3
123.11700	34.6
131.08536	13.3
132.00578	5.3
133.10118	28.2
135.08023	7.2
135.11684	37.9
137.09630	10.4
137.13281	20.6
139.07538	6.1
143.08554	10.3
145.10110	16.9
147.11688	48.5
149.09579	10.5
149.13280	32.3
151.14757	6.3
157.10106	9.1
159.11700	25.8
161.09579	8.2
161.13243	12.5
163.11142	5.7
163.14828	14.3
165.12793	21.1
167.10670	5.9
171.11694	5.9
173.09540	5.0
173.13261	12.4
175.11182	5.6
175.14854	13.0
177.12697	10.2
177.16373	7.4
179.10605	4.5
181.12224	8.9
185.09628	7.6
187.14784	7.0
189.12723	5.0
189.16394	9.2
191.17958	80.5
193.12473	4.4
195.13773	4.5
201.16444	10.2
203.14296	7.9
203.17818	6.7
205.12518	5.0
205.19504	8.2
207.13783	4.5
217.15871	4.6
217.19495	8.6
219.21004	17.3
221.15359	6.7
229.15762	5.3
229.19556	4.7
235.16849	6.9
235.20580	8.9
243.17592	5.1
243.21165	6.5
247.17003	4.8
247.20453	5.9
250.06329	6.6
255.17619	4.7
257.22665	8.0
257.49277	5.5
261.22168	5.0
263.20135	14.1
267.21005	4.8
283.24332	5.4
287.23425	8.0
291.23151	4.3
303.19818	7.3
303.23154	13.2
306.12732	5.2
313.27365	4.8
337.25223	15.6
362.18857	4.6
385.27130	4.9
391.33838	5.0
399.32996	5.4
407.33200	22.5
409.34918	5.8
419.33197	5.4
425.34091	17.7
427.35678	15.3
437.34302	27.3
443.35419	5.0
455.35257	80.2
473.36420	64.8
490.98605	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3631
Annotation	Salaspermic acid
Peak:m/z	Relative Intensity
53.03941	2.6
55.05515	12.2
57.07071	7.0
67.05511	17.0
69.07085	15.4
69.36421	11.5
69.36823	5.6
79.05489	9.3
81.03426	17.1
81.07063	35.1
83.08614	10.4
84.90457	2.1
91.05494	12.2
93.07051	24.3
93.14742	2.6
95.04991	12.0
95.08612	47.2
97.06506	4.7
97.10168	4.8
98.21487	3.3
105.07040	17.4
107.08608	30.5
107.57306	2.3
109.06535	5.7
109.10164	25.3
115.44194	2.4
117.07034	3.5
119.08613	14.4
121.10146	18.9
123.08071	4.6
123.11713	20.6
131.08583	5.4
133.10147	29.1
135.11710	15.8
137.09648	2.8
137.13313	14.0
145.10120	5.1
147.11653	7.5
149.05980	2.2
149.09601	2.6
149.13225	11.6
151.09973	5.0
151.11195	100.0
157.10075	3.6
159.11711	6.6
161.09608	2.9
161.13284	8.2
163.07582	3.6
163.14804	2.8
164.41229	2.3
165.09084	5.8
171.11653	4.4
173.13226	5.4
175.11215	3.2
175.14841	5.4
177.12767	4.1
177.16307	3.8
179.14355	4.0
185.13155	2.9
187.14752	2.9
189.12741	2.6
191.17943	22.5
199.14743	2.9
203.17979	5.4
205.19473	2.9
217.19574	2.6
219.13921	4.2
221.15402	5.2
223.16989	5.0
395.33078	4.2
409.34921	3.1
415.19092	5.0
425.33682	2.6
427.35764	76.6
428.35788	3.4
433.51575	2.3
437.33908	4.1
455.35223	18.7
473.10306	3.3
473.23798	29.2
473.36414	60.0
481.52209	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3626
Annotation	Salaspermic acid
Peak:m/z	Relative Intensity
51.30790	2.1
53.03938	2.7
55.05503	7.4
57.07074	3.7
66.48254	2.2
67.05511	16.0
67.84377	2.1
69.07058	19.8
71.49989	3.6
78.40894	2.2
79.05492	12.3
79.22283	2.1
81.03424	18.1
81.06664	2.5
81.07068	34.4
83.08603	7.7
85.06513	2.1
91.05460	7.6
93.07040	20.6
95.04961	9.2
95.08611	49.5
97.06532	81.3
97.10155	3.4
99.39810	1.9
105.07011	15.4
107.08598	23.7
109.06507	8.9
109.10162	26.0
111.08064	3.4
117.06989	2.7
118.29420	2.1
119.08592	12.9
121.10139	14.8
123.08057	5.7
123.11691	14.8
131.08559	2.8
133.10138	21.8
135.08081	5.3
135.11711	13.8
137.13251	16.1
145.10172	4.7
147.11649	7.8
149.13249	11.0
151.11191	81.2
151.14749	2.1
159.11659	3.0
161.09650	2.0
161.13298	9.8
163.14807	6.5
170.90698	2.1
175.14856	5.0
177.12743	3.2
177.16400	4.3
179.14276	5.2
187.14795	3.3
188.16460	2.4
191.17900	7.7
199.14684	2.6
203.17921	3.9
205.19434	3.3
221.15344	6.8
223.16827	3.0
257.22754	2.4
309.58966	2.3
315.11377	2.3
331.26392	2.3
359.29291	6.4
409.34741	6.1
413.61661	2.1
427.35754	100.0
427.56470	2.4
428.36185	3.5
433.39371	2.4
441.37173	2.6
455.35220	65.9
456.35580	2.5
460.57535	2.6
473.35672	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	473.3627
Annotation	Salaspermic acid
Peak:m/z	Relative Intensity
53.03950	2.0
55.05508	5.7
55.61112	1.5
55.74666	1.4
57.07064	4.3
67.05509	12.7
69.07072	15.2
69.84629	8.5
73.96460	1.4
79.05522	7.4
81.03431	14.7
81.07063	34.6
83.08611	5.5
85.06509	1.5
91.05447	8.3
92.58997	1.5
93.07051	19.5
95.04955	11.4
95.08615	40.9
97.02914	1.4
97.06536	24.4
97.10158	3.7
98.21461	1.7
105.07037	15.5
107.04942	1.6
107.08606	19.1
109.06539	8.7
109.10162	20.8
119.08604	9.3
121.10138	16.6
123.08064	6.0
123.11707	15.6
124.08169	1.6
131.08559	3.0
133.10149	19.0
135.11707	12.6
137.13245	12.7
145.10138	3.3
147.11690	4.8
149.13249	10.6
151.11192	93.8
151.14758	2.6
159.11710	3.7
161.13249	7.2
163.11139	2.2
163.14772	2.8
167.10667	2.0
173.13248	3.5
175.14842	3.6
179.14294	3.8
187.14839	1.8
191.17957	3.2
193.16533	1.8
203.18010	3.5
205.19498	2.8
214.64923	1.7
221.15363	4.5
223.16922	4.4
259.24399	1.7
359.29477	2.7
409.34689	5.5
427.35751	100.0
428.35864	4.9
455.35291	20.6
462.89810	1.9
473.35934	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	473.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.9
55.01865	0.6
55.02905	0.5
55.05323	0.5
55.05517	6.4
57.07074	1.5
63.38937	0.6
67.05190	0.6
67.05515	9.0
69.03419	1.7
69.06795	0.5
69.07076	5.4
71.04996	1.1
71.49886	0.7
78.44652	0.6
79.05498	3.6
81.03417	1.7
81.07066	11.3
82.90282	0.6
83.04978	1.2
83.08610	2.3
85.02869	0.8
85.06536	2.0
91.05470	3.8
93.07058	6.3
95.04968	1.2
95.08621	11.1
97.06527	2.6
97.10179	6.7
105.07040	4.9
107.04975	1.0
107.08596	6.3
109.02905	0.8
109.06543	0.7
109.09469	1.1
109.10164	12.2
111.08052	1.0
117.07047	0.7
119.08592	7.0
121.10156	5.7
122.07298	1.6
123.08099	0.7
123.11734	3.5
125.09628	2.4
129.06952	0.9
131.08566	1.8
133.10158	4.5
135.08095	1.3
135.11736	3.3
137.06052	0.8
137.09631	11.2
137.13272	0.8
139.11163	0.7
143.08582	1.3
143.10703	1.7
145.10146	4.5
147.08134	0.7
147.11687	3.1
149.02359	1.6
149.05835	0.6
149.09631	7.6
149.13246	2.2
151.07625	1.0
157.10130	0.8
159.08022	0.8
159.11699	3.8
161.09636	0.6
161.13292	3.4
163.11183	1.6
163.14828	2.0
165.09134	100.0
166.09415	0.9
167.10632	1.0
171.11633	0.9
173.09619	0.7
173.13307	1.6
174.10381	1.1
175.07591	0.9
175.11201	1.9
175.14854	1.4
177.09135	1.7
177.16367	1.0
179.10643	1.0
185.13280	1.1
187.11238	1.3
187.14861	1.3
189.09160	5.1
189.10728	0.7
189.12776	1.7
189.16435	1.1
199.14801	0.9
201.16371	1.4
203.10715	1.7
203.14232	1.1
203.18033	1.4
205.12286	2.6
215.17830	0.6
217.08676	1.1
221.08102	0.7
233.08060	1.1
245.19101	1.0
303.23233	1.2
409.30875	1.1
427.31985	3.8
429.19138	0.9
437.30191	0.8
455.30679	4.7
473.32327	6.5
493.91605	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66531	1.2
53.03946	2.8
55.01868	2.6
55.05508	8.6
57.03420	4.7
57.07073	4.0
65.03918	1.8
67.05497	22.3
69.07071	9.9
69.33577	1.5
71.08633	2.8
71.22677	1.8
71.22992	1.8
75.04476	2.1
79.05492	20.2
79.33606	1.4
81.03402	1.4
81.07056	25.9
83.04954	1.6
83.08620	3.6
85.06533	5.3
85.21476	1.5
91.05475	27.2
93.07043	21.7
95.04980	1.8
95.08607	28.0
97.06522	4.4
97.10148	3.3
103.03912	1.3
105.07027	24.4
107.04962	1.7
107.08589	16.6
109.06486	1.7
109.10168	15.1
111.08051	3.1
111.11774	1.4
113.00018	100.0
115.05486	1.7
117.06989	8.8
119.08585	30.9
121.06479	2.3
121.10136	20.8
123.08059	4.0
123.11712	6.1
124.77121	1.5
125.09593	2.6
128.06197	2.3
129.05472	5.1
129.06961	7.0
131.08575	14.6
133.10126	28.4
133.11090	2.0
135.08073	2.0
135.11716	8.3
137.13263	4.7
143.08566	9.9
145.10133	14.1
147.08089	2.6
147.11688	13.5
149.09641	3.4
149.13251	7.4
157.10150	8.6
159.11673	8.8
161.13283	8.1
163.14761	3.7
169.02589	13.3
171.11688	8.9
173.13290	6.4
175.11174	3.0
175.14812	9.0
177.16357	4.7
184.07382	2.2
185.13266	10.0
187.03671	15.1
187.14833	5.7
189.12782	3.1
189.16373	15.6
190.16689	1.7
191.17934	4.4
199.14857	6.5
201.16414	5.3
203.14377	2.0
203.17960	15.1
205.15918	1.9
205.19608	2.5
213.16422	3.4
215.17911	1.7
243.21071	5.2
245.22685	6.9
259.20596	1.7
259.24210	6.0
269.22623	33.8
287.23691	44.2
293.29599	1.4
343.26501	3.7
361.23199	2.8
361.27371	31.8
381.27609	2.2
411.32443	3.8
437.34634	2.3
455.25418	3.8
455.31317	4.9
473.34470	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	473.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	7.1
55.01885	7.4
55.05503	14.9
57.03449	5.3
57.07093	4.8
61.02940	7.0
61.43990	3.4
65.03954	3.1
67.05507	26.6
69.03428	21.3
69.07079	16.4
71.05006	8.5
71.48716	4.8
73.02939	7.5
79.05491	20.0
81.03421	28.4
81.07059	82.0
83.08642	9.3
85.02913	44.3
85.06544	31.0
86.09691	3.8
87.00842	17.9
91.05480	22.0
93.07050	38.7
95.04980	6.0
95.08608	62.7
97.02920	13.6
97.06535	41.5
97.10143	4.8
99.04501	9.4
99.08106	6.3
103.03938	5.5
103.32921	2.8
105.01879	6.9
105.07036	41.6
107.08591	59.0
109.02869	17.4
109.06567	3.5
109.10162	35.4
111.08121	11.3
117.07000	4.7
119.08592	46.8
121.10157	45.3
123.11714	46.0
125.09668	11.9
127.03918	25.8
131.08620	6.6
133.10120	51.0
135.04471	3.4
135.08066	3.6
135.11696	23.7
136.70972	2.9
137.05980	16.6
137.09676	10.0
137.13313	4.7
139.11208	3.9
143.08563	6.6
145.04997	5.8
145.06485	3.3
145.10121	14.5
147.11696	32.3
149.09642	4.4
149.13280	15.0
151.11234	6.5
157.10194	4.9
159.02922	9.6
159.11693	16.0
161.06046	4.1
161.13257	43.4
162.25792	3.0
163.03915	3.7
163.14830	72.1
163.16110	5.0
165.09097	25.5
169.12288	3.1
173.13292	8.3
175.14906	11.1
187.14940	8.8
189.16389	74.7
201.16402	8.2
203.10725	3.5
207.17438	99.6
215.18033	4.0
225.18517	100.0
225.20763	4.9
364.21350	4.0
399.32727	4.7
400.47330	3.2
409.34686	4.0
427.35770	4.0
437.34338	5.5
455.35229	12.7
473.36475	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	473.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52227	1.8
54.86300	1.8
55.01868	6.0
55.05509	13.4
57.03437	11.0
57.07071	6.6
58.06585	4.6
59.07403	1.9
67.05505	35.9
69.03439	2.3
69.07081	13.4
70.06801	4.9
71.08630	6.2
73.02920	3.5
79.05501	31.8
81.03412	2.8
81.07062	35.4
83.08620	6.0
85.06544	3.0
87.28388	1.9
91.05486	39.5
93.07047	30.5
95.04942	2.2
95.08608	27.3
97.06554	2.0
97.26543	1.8
98.20768	3.5
99.08124	4.5
103.03969	4.6
105.07030	30.9
107.04952	1.9
107.08600	16.0
109.06499	3.6
109.10150	12.9
113.00022	100.0
117.07030	7.8
119.07816	2.9
119.08599	33.2
121.10136	21.3
123.08106	3.8
123.11700	4.0
129.05495	10.1
129.06982	9.7
131.08568	23.6
133.10133	34.1
135.11673	9.0
135.20227	2.0
137.09599	2.4
141.07013	2.1
143.08556	10.1
145.10121	12.7
147.11691	12.6
149.09610	3.4
149.13266	5.1
157.10071	12.1
159.11697	8.2
161.09575	2.7
161.13261	12.3
163.11197	2.1
163.14883	3.7
169.02631	10.1
171.11662	13.3
173.13283	7.4
175.11259	2.4
175.14803	12.4
177.16376	6.6
183.10156	2.0
185.13275	10.5
187.03667	16.2
187.14874	5.9
189.12752	3.6
189.16382	19.0
191.17856	2.6
199.14848	10.1
201.16379	5.6
203.14392	3.3
203.17960	24.3
213.16452	5.9
227.17928	2.0
235.16685	2.1
236.14873	11.1
243.21072	7.2
245.22656	12.3
259.24252	8.6
269.22647	54.4
271.24316	2.5
287.23697	50.6
361.27371	64.7
362.28003	3.6
388.16946	2.2
443.01602	2.1
455.25720	4.4
455.34988	2.9
473.34744	7.0
474.37997	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	473.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03893	0.6
55.01831	1.6
55.29979	0.5
57.41033	0.5
65.03897	0.6
68.99790	5.4
69.03387	0.7
70.06551	0.9
71.01327	0.8
71.48483	0.6
71.48876	0.8
81.03367	1.7
81.07018	0.7
85.02884	1.5
85.39859	0.5
86.09674	1.7
91.05437	0.8
93.03365	1.2
93.14985	0.7
95.04924	0.6
97.06492	1.2
99.00781	0.6
99.04419	0.8
100.11213	1.8
103.03905	0.6
105.06995	0.7
107.04908	0.8
107.08572	0.7
109.02827	1.0
111.04383	2.3
117.03333	1.3
119.04862	0.9
121.02859	1.3
121.10148	0.7
123.04423	1.2
126.28425	0.6
127.03886	0.6
129.06996	0.7
133.02742	0.7
135.04407	1.2
136.07536	0.8
137.02324	1.0
137.05984	1.4
139.03920	4.2
141.07022	2.8
143.08496	0.6
145.02780	1.0
146.82855	0.6
147.04419	3.4
149.02266	1.7
151.07515	0.9
152.06236	1.2
153.06952	4.3
157.06416	1.2
159.00687	0.8
163.03970	6.8
163.05316	1.0
163.11166	1.8
165.06953	2.4
169.05226	0.9
169.06491	10.5
171.04262	0.7
171.08047	0.9
174.03062	2.3
175.07376	0.7
177.01840	4.4
178.04916	0.9
181.05046	0.8
181.06494	10.9
185.05974	1.1
187.07423	1.1
191.03336	0.8
191.04945	1.3
193.06441	1.5
195.04402	1.9
197.05984	11.6
199.07500	1.9
201.01767	1.6
203.03412	6.0
207.13782	1.6
208.90485	0.6
209.05971	12.9
210.06802	0.8
211.07608	0.8
213.05476	5.0
215.07030	17.7
215.09128	0.9
219.04454	0.9
221.06070	4.5
223.03891	2.0
225.05473	0.8
226.06239	0.8
227.03375	0.7
227.07043	4.5
229.01314	12.3
235.10838	1.3
236.11226	0.9
237.05475	33.7
239.07043	2.4
241.04930	1.3
243.06529	5.3
247.02415	2.6
249.05234	0.7
255.06586	16.0
257.08078	0.6
265.04965	41.1
266.05695	1.6
267.06445	2.4
275.03326	1.4
277.04926	0.6
283.06015	39.3
284.06369	1.0
293.04443	20.6
294.04779	0.9
295.06015	3.4
297.03833	3.3
311.05502	100.0
312.05847	2.8
313.07108	4.5
321.04004	2.2
332.10489	0.6
339.04999	27.5
340.05383	1.2
357.06052	1.4
363.03452	1.6
411.16534	0.6
429.17072	3.0
455.06171	1.5
455.15125	1.3
472.36111	2.8
473.07220	26.6
473.15204	2.1
473.36044	1.0
474.07703	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.8
55.01881	1.2
65.03941	1.0
67.05500	2.0
69.07082	4.6
70.06591	1.6
71.05009	1.1
79.05487	4.0
84.08149	0.7
85.02908	1.9
91.05478	1.6
93.03413	1.8
93.07041	0.7
95.04977	0.8
97.02885	1.2
97.06536	31.6
104.04993	1.1
105.03435	0.9
105.07010	0.7
107.04956	2.2
108.04504	1.0
109.02872	0.7
111.04468	4.1
113.03872	0.7
114.51184	0.7
119.08558	0.7
121.02866	1.3
123.04456	4.3
129.07030	1.2
131.04903	0.7
132.95824	0.9
133.06476	0.7
135.04417	7.2
136.05171	0.7
137.05971	3.0
139.03931	8.6
147.04411	2.4
149.02351	2.0
149.05983	0.7
150.05508	1.6
151.03931	0.8
152.05676	12.0
153.04088	0.8
159.08138	0.8
161.06006	1.5
163.03914	5.8
163.07565	2.3
164.07114	0.8
174.96924	1.1
175.07608	0.9
176.07076	3.6
177.01881	1.0
178.05005	30.4
179.03358	0.9
189.01898	1.1
189.09102	2.0
191.03394	1.2
191.07056	3.9
205.10959	0.9
217.08565	1.1
231.10167	12.2
233.08086	1.5
235.09669	2.8
248.12819	0.7
249.13675	2.9
254.08037	0.7
260.58649	0.6
282.07574	7.2
290.60495	0.8
294.07800	1.4
303.04974	1.2
310.07187	2.2
312.08691	3.0
339.12265	1.1
356.14932	0.9
364.11542	1.3
381.13391	0.8
382.99203	0.8
408.14453	35.1
409.14798	1.3
410.15805	1.1
428.17044	3.4
454.15005	100.0
455.15286	3.4
472.15799	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	472.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.5
55.01867	0.6
55.05521	3.4
57.03440	7.5
57.07064	0.9
58.06604	28.9
58.72350	0.4
59.04988	0.5
59.07386	10.4
60.08167	9.1
64.58925	0.4
67.05517	2.6
69.07076	3.7
73.02901	1.3
75.04488	4.0
79.05490	2.1
81.07065	4.3
83.04958	0.5
83.08617	2.1
84.08136	0.6
85.02926	2.4
86.09690	1.3
87.04472	4.2
91.05488	0.7
93.07053	2.2
95.08615	2.9
97.06497	0.8
97.10181	0.5
98.21507	1.3
98.98460	0.7
102.05544	0.7
103.03980	0.6
105.05510	1.1
105.07018	0.9
107.04919	0.4
107.08581	1.5
109.10154	1.0
111.11718	0.5
113.05975	0.7
119.08558	0.6
121.10121	1.5
123.11691	0.7
131.07080	2.5
133.10088	0.8
135.11671	0.6
144.09146	0.8
144.10205	8.4
145.10170	0.6
149.13200	0.5
155.01050	0.5
159.06479	0.4
162.11249	5.1
184.07356	2.7
218.13937	0.6
236.14941	100.0
237.15251	1.2
394.08875	0.5
454.35321	25.6
455.36163	0.8
472.36368	66.7
473.36600	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75158	0.6
59.04991	0.8
68.26791	0.6
69.03404	0.6
69.45335	0.6
69.64100	1.0
69.64518	2.1
70.06576	1.4
78.71848	0.5
79.05529	0.7
84.08138	0.6
91.05467	1.6
92.49687	0.5
93.07042	0.9
98.19364	0.6
98.21481	1.1
103.05458	0.5
105.07000	0.6
107.04939	0.8
120.08101	3.3
123.04398	1.1
131.08606	0.7
132.08084	5.6
133.08900	5.4
135.04401	0.8
137.05965	0.9
145.02876	0.7
146.05986	0.6
147.04491	0.9
148.07576	58.4
149.08327	2.3
155.08533	0.7
159.00099	0.6
160.07579	2.5
161.08357	8.3
162.09143	14.4
163.03871	1.2
176.07106	6.3
177.05528	1.0
177.07870	13.2
178.08640	17.8
179.08856	0.6
187.19676	0.5
189.09183	0.7
221.08385	0.6
226.12279	1.1
236.10727	4.9
239.09459	0.6
254.11772	3.7
265.04733	0.8
265.11017	1.9
268.09674	1.8
270.07562	0.8
280.09821	0.7
281.10471	1.7
282.11166	2.2
310.10706	8.2
311.05411	1.3
312.12314	15.3
313.09375	0.7
328.11826	1.4
338.10233	41.9
339.10654	0.9
356.11292	31.1
428.17395	1.6
454.14774	0.6
472.12350	100.0
473.12735	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3471
Annotation	CHEBI:67482
Peak:m/z	Relative Intensity
52.44720	1.2
55.01869	2.6
55.05515	9.0
57.03419	1.8
57.07063	4.0
59.05000	2.5
65.50101	1.6
67.05513	11.9
68.92781	1.5
69.03427	2.8
69.07073	13.4
70.17711	4.1
79.05488	6.3
81.07053	18.9
83.04976	13.6
83.08620	5.5
85.06522	2.0
91.05491	9.7
93.07051	19.7
95.04976	5.1
95.08611	24.3
97.06549	10.3
97.10182	2.7
105.07040	17.5
107.08600	31.7
109.06526	3.9
109.10147	13.7
111.08080	2.8
117.06998	3.3
119.08594	26.6
121.06511	2.9
121.10143	22.4
123.08080	3.7
123.11713	8.6
128.48888	1.5
129.07028	2.5
131.08563	7.2
133.10143	24.0
135.08049	5.0
135.11707	17.7
136.12079	1.3
137.05937	1.7
137.09613	1.7
137.13310	2.4
142.07753	1.7
143.08585	2.7
145.06500	1.5
145.10097	12.9
147.08069	4.8
147.11714	11.8
149.09653	4.4
149.13278	7.3
155.08522	2.6
157.10138	7.7
159.11708	7.5
159.83543	1.3
160.12540	1.3
161.09641	6.4
161.13287	9.8
163.07590	9.7
163.11171	3.5
163.14830	5.0
165.09171	3.4
169.10176	2.1
171.11705	3.8
172.70058	1.6
173.09698	5.5
173.13275	8.9
175.07558	2.8
175.11243	4.4
175.14825	37.1
177.12791	2.5
177.16422	6.6
179.14288	2.0
183.11850	1.3
185.13310	3.4
187.11214	5.4
187.14827	10.2
189.12729	3.1
189.16393	20.8
191.14366	3.8
191.17920	4.2
193.05092	1.9
193.15994	2.2
197.13287	3.4
199.11200	2.4
199.14862	5.1
201.12747	12.6
201.16403	3.7
203.14345	4.6
205.15977	7.2
207.17490	4.1
211.15024	1.5
213.16336	1.7
215.14331	4.7
215.17879	1.7
217.15813	10.3
217.19434	1.9
219.13895	1.9
219.17496	4.9
229.15927	2.3
231.17522	2.3
233.15392	18.8
235.16933	16.5
235.33763	1.5
241.15897	1.7
245.15442	4.0
245.19057	12.9
246.21542	1.4
247.17044	1.8
251.16486	4.6
257.19016	29.5
259.17062	2.0
259.20490	2.0
271.20596	2.9
275.20135	1.6
277.18042	3.0
283.20743	1.7
285.92166	1.8
289.18362	1.5
297.22128	3.5
299.20038	8.4
301.21658	2.2
309.22186	1.7
317.21234	6.0
357.27890	1.8
383.25882	8.7
393.31665	10.1
407.33380	1.9
411.32581	63.7
412.32596	2.6
417.31650	1.7
425.34167	3.7
435.32764	10.0
453.33682	50.0
454.34091	2.8
471.13495	2.9
471.34796	100.0
472.35294	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	471.3473
Annotation	Glycyrrhetinate
Peak:m/z	Relative Intensity
53.03970	3.8
53.51836	3.1
53.96587	2.8
55.05505	12.5
57.07067	5.1
61.02925	5.2
67.05509	27.0
69.07061	14.5
70.62016	6.9
73.02444	3.6
73.02906	3.0
79.05497	17.7
81.06654	4.8
81.07064	41.0
83.08624	6.1
83.55387	3.1
91.05504	20.1
93.07049	37.7
95.04988	3.4
95.08614	66.2
97.06519	7.7
97.10178	4.9
105.07030	49.8
107.08607	65.8
109.06525	7.9
109.10165	42.7
109.48059	3.3
117.07010	5.1
119.08587	57.7
121.06522	5.7
121.10134	35.2
123.08057	4.6
123.11713	13.5
125.09653	4.5
131.08594	33.5
133.10133	48.8
135.08034	3.6
135.11691	25.1
137.09717	3.3
143.08618	8.3
145.10126	30.4
147.11693	25.9
149.09665	4.6
149.13258	13.0
151.11177	4.0
157.10150	10.8
159.11731	23.2
159.12863	4.1
161.09621	7.2
161.13278	25.5
163.11105	3.9
163.14803	16.1
165.12738	3.4
167.10695	6.6
171.11694	6.2
173.13280	40.9
175.14845	26.0
177.12857	5.3
177.16402	15.0
183.05287	3.1
185.13309	11.0
187.14842	38.6
189.16356	27.1
191.14313	100.0
191.17943	7.4
193.12274	5.4
193.15930	5.4
199.14792	7.3
201.16368	21.9
203.14389	19.2
203.17969	68.8
205.15904	17.1
205.19376	7.3
213.16466	6.9
215.17960	12.2
217.15834	5.5
219.17488	11.8
221.13402	5.4
221.15393	56.4
221.18945	3.4
227.17952	8.0
231.17462	6.1
231.21033	5.9
235.17015	6.3
241.19394	4.2
247.16930	6.3
249.18468	22.4
261.18427	5.2
286.59781	3.6
311.23712	9.0
329.24713	4.0
389.31824	4.3
395.33508	4.1
407.33167	24.7
423.32602	4.1
425.34137	35.0
435.32455	11.3
453.33740	20.0
471.34741	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3472
Annotation	Lantanolic acid
Peak:m/z	Relative Intensity
53.03954	3.3
55.05510	16.8
57.07081	4.5
57.46391	2.3
65.03934	2.9
67.05515	21.1
69.07079	16.9
71.08614	2.4
71.49226	3.6
79.05499	19.0
80.33795	1.9
81.03409	2.2
81.07058	42.2
83.08621	14.4
85.02928	2.0
91.05483	20.0
93.07047	45.4
95.04950	2.4
95.08611	63.8
97.06522	6.9
97.10172	3.1
105.07038	53.2
107.07436	2.9
107.08601	76.9
109.06544	4.7
109.10155	35.6
111.08068	7.0
112.20135	2.0
117.07026	6.4
119.08587	66.9
121.06492	2.2
121.10149	100.0
122.09685	13.0
123.08060	6.5
123.11691	23.0
127.08685	6.1
131.08606	10.8
133.10136	54.9
135.08063	3.9
135.11693	39.6
136.07570	2.2
137.13246	5.1
139.07573	3.2
141.06685	3.0
143.08546	5.5
145.10129	15.3
147.11697	35.8
149.09622	9.2
149.13269	17.3
149.21994	1.8
153.09079	6.8
157.10114	9.0
159.11700	17.0
161.09596	4.6
161.13264	61.3
163.11235	2.3
163.14848	10.7
165.09070	4.8
165.12871	2.0
166.29774	2.0
167.08563	2.2
167.10733	17.7
169.13327	4.3
171.11723	6.7
171.62978	2.0
173.13284	20.1
175.11223	3.5
175.13321	2.9
175.14832	57.5
177.12798	3.2
177.16393	35.0
179.10696	5.0
181.12271	4.5
185.13277	4.9
187.14816	15.1
189.12730	2.4
189.16391	28.6
191.14320	3.1
191.17937	6.0
193.12260	4.6
193.15895	2.8
194.99554	2.1
195.13783	3.3
199.14781	5.8
201.16367	11.4
203.14326	3.3
203.17966	39.0
205.15942	4.7
207.13756	4.7
213.16362	6.9
215.14392	2.3
215.17970	6.6
217.15866	7.5
217.19531	3.9
221.15407	23.0
223.16888	3.0
227.18011	2.6
229.15842	2.7
231.17468	13.6
231.21054	2.6
233.15268	5.1
235.16945	8.0
243.17406	2.4
243.21053	3.3
245.19038	2.8
246.12532	3.2
249.18581	7.0
252.60481	2.0
275.19849	2.7
287.20187	2.2
289.21661	4.2
303.23175	5.5
379.29889	3.3
397.31104	5.8
407.33057	8.9
425.34158	75.2
426.34821	2.3
435.32516	18.3
453.33664	19.5
471.28351	3.3
471.34750	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3473
Annotation	Glycyrrhetinate
Peak:m/z	Relative Intensity
53.03943	3.3
55.05508	14.0
57.03439	3.2
57.07068	4.1
63.63893	1.8
65.03922	2.9
67.05511	25.0
69.03433	5.2
69.07069	22.2
69.49632	7.1
69.50059	5.9
77.78701	1.6
79.05503	19.5
81.06595	3.6
81.07057	56.2
83.04945	3.1
83.08633	10.5
85.06544	2.1
89.06054	2.7
91.05471	26.2
93.06484	3.1
93.07046	48.9
95.04972	8.5
95.08610	85.5
97.06550	11.4
97.10153	5.4
98.21517	3.1
99.08072	2.5
105.06324	2.8
105.07029	57.4
107.08599	78.8
109.06531	4.5
109.10159	45.6
111.08060	5.0
113.00022	2.0
117.07002	7.4
119.08589	83.4
121.06487	2.9
121.10146	54.7
123.08071	6.7
123.11701	18.1
125.09619	10.0
128.06238	2.2
129.07004	4.1
131.08572	33.8
133.09122	3.4
133.10138	68.6
135.08037	3.8
135.11702	36.2
137.09616	3.3
137.13264	2.4
143.08592	9.3
145.10133	51.7
147.08017	3.4
147.11685	41.4
149.09615	7.2
149.13272	26.5
151.11220	3.9
153.09119	3.8
155.08559	3.1
156.09280	3.9
157.10133	11.0
158.10941	3.0
159.08032	3.0
159.11691	44.9
161.09628	5.9
161.12004	2.9
161.13268	37.7
163.11214	8.4
163.14815	25.4
165.12733	2.1
167.10704	3.4
169.10080	4.2
170.10956	3.7
171.11703	9.4
173.13275	34.6
175.11261	3.9
175.14844	44.4
177.12781	3.9
177.16389	34.6
179.10651	3.3
183.11728	3.1
184.07368	1.8
185.13321	8.8
187.14830	57.3
189.12813	4.7
189.16376	56.7
191.14326	29.3
191.17899	13.7
193.12263	5.8
193.15855	2.7
197.13290	3.2
199.14786	17.8
201.16389	56.5
202.16518	2.1
203.14415	9.1
203.17963	100.0
204.18202	1.8
205.15970	9.3
207.17444	3.4
211.14868	3.6
213.16351	18.9
214.16760	1.9
215.17923	17.4
217.15840	7.6
217.19495	5.8
219.13792	2.5
219.17400	11.4
221.15402	20.8
225.16399	2.3
227.17970	5.1
228.43504	1.8
229.15909	2.9
229.19495	4.7
231.17412	7.0
231.21007	4.1
233.19017	5.7
235.16962	5.7
237.16431	2.3
239.17848	3.0
241.19492	7.5
243.17415	2.6
243.21030	3.3
247.16946	7.5
249.18524	15.4
255.20978	1.8
256.02322	1.7
259.16870	3.3
261.18555	5.5
267.21075	4.4
269.22729	2.2
281.22760	2.0
283.24054	2.7
285.22153	3.2
332.32877	1.8
377.31940	2.1
389.32031	11.5
395.33060	5.4
407.33087	39.8
409.34787	6.5
423.32474	6.0
425.34177	50.3
435.32578	17.7
441.34012	2.2
453.33887	17.4
471.24030	2.9
471.34799	55.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3472
Annotation	11-Keto-beta-boswellic acid
Peak:m/z	Relative Intensity
53.03954	0.9
55.01863	1.1
55.05505	2.8
57.07073	1.5
65.03917	1.2
67.05500	7.0
69.07069	8.7
69.52951	5.8
70.78189	0.9
71.04990	0.8
71.56876	0.9
79.05498	4.0
81.07061	15.2
83.04968	1.1
83.08620	4.5
87.07437	0.9
91.05488	5.2
93.07045	9.9
95.04961	1.4
95.08610	31.1
97.06525	1.0
97.10194	2.0
97.18749	1.0
105.07034	9.1
107.04959	1.1
107.08601	18.6
109.06480	1.5
109.10165	20.7
117.07024	1.8
119.04906	1.2
119.08574	8.4
121.06499	1.8
121.10149	18.9
123.08062	1.3
123.11718	6.9
130.07704	0.9
131.08569	3.6
131.85356	0.8
133.06505	3.1
133.10124	4.6
135.08092	2.5
135.11691	16.6
137.09656	1.1
137.13251	9.5
143.08560	2.3
145.10100	6.4
147.08101	1.4
147.11693	2.5
149.09641	2.8
149.13264	9.2
151.14873	1.1
153.09190	0.9
155.08565	1.4
157.10127	3.0
159.11693	3.3
161.09599	2.5
161.13251	2.5
163.00150	0.9
163.07549	6.4
163.11203	4.0
163.14851	2.2
165.09039	1.1
171.11696	3.0
173.09566	2.6
173.13232	2.0
175.07509	1.7
175.14825	2.4
176.08299	7.2
177.09109	7.9
177.12723	2.2
177.16435	2.6
179.05505	1.2
179.07059	19.2
183.08124	1.4
185.11635	1.0
185.13269	1.2
187.07547	1.0
187.11140	1.9
187.14711	1.5
189.09138	14.2
189.16380	2.9
191.10701	1.7
191.14380	2.4
191.17953	100.0
192.18333	2.2
197.13193	1.0
201.12782	3.0
201.16341	1.4
203.10684	3.2
205.19585	1.8
213.12714	2.6
215.10683	1.1
215.14401	4.3
215.17844	0.9
217.16003	1.1
219.13779	4.3
225.12796	1.4
229.12236	1.9
231.13896	2.8
233.15515	0.9
243.13786	3.2
247.13309	1.2
249.15137	1.0
257.15421	0.9
269.18567	1.0
321.78046	0.9
349.25397	2.3
351.26880	1.8
367.26297	5.4
369.27905	3.6
383.33038	3.3
385.27405	30.5
397.34659	1.9
407.32953	1.2
425.34177	12.1
426.34457	0.9
435.32599	1.8
443.35242	1.6
445.53708	1.0
453.33701	32.6
454.33853	1.5
471.34833	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	470.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04986	11.3
61.30849	13.1
65.16843	13.1
71.49259	12.4
71.49721	12.9
81.07050	23.9
89.06004	18.8
93.07030	18.9
95.08607	33.4
101.45631	15.9
107.08594	21.5
109.10188	26.1
119.05798	13.0
121.57105	11.5
124.39650	11.9
129.69798	11.8
135.11763	17.9
143.48169	12.7
149.04800	13.2
163.14874	15.1
191.17952	91.9
194.84317	11.7
233.15334	43.9
261.18509	15.1
284.29993	15.2
288.71716	13.4
303.68121	11.6
307.45078	13.0
387.15823	12.9
439.35663	100.0
470.36615	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	9.8
53.83078	2.6
54.28772	3.1
55.01870	7.1
55.05511	28.8
56.86073	2.5
57.03440	30.6
57.07063	5.6
61.02932	74.8
65.03944	2.8
67.05510	83.6
69.03436	37.3
69.07072	32.4
71.01343	7.0
71.04991	8.1
71.48805	3.3
73.02925	30.1
75.04494	3.3
79.05494	33.2
80.39127	3.3
81.03418	22.6
81.06599	4.9
81.07065	100.0
83.04989	8.0
83.08622	19.4
85.02444	4.9
85.02911	67.8
85.06508	4.1
85.10215	3.4
86.09728	6.4
87.04515	2.9
91.03963	42.5
91.05492	36.5
93.07049	30.1
95.04968	6.0
95.08609	61.8
97.02899	54.2
97.06544	4.3
97.10149	7.3
99.04451	11.5
99.08090	11.7
101.02390	10.4
103.03918	9.8
105.07024	24.1
107.04931	2.7
107.08610	19.8
109.02883	10.5
109.06538	4.4
109.10173	22.4
111.08060	6.3
113.09655	3.0
115.03915	6.8
117.07019	4.6
119.08591	18.2
121.06510	4.1
121.10179	21.6
123.08050	5.1
123.11729	15.6
127.03949	18.7
129.05493	6.1
129.06979	5.0
131.08543	10.6
133.10124	24.8
135.07983	3.8
135.11703	18.6
137.09619	3.6
137.13242	10.2
145.04950	12.3
145.10092	7.1
147.06691	3.0
147.08026	4.4
147.11728	15.7
149.13222	7.1
151.11218	3.6
151.14856	5.7
153.12796	3.9
157.10220	4.8
159.11713	7.4
161.13252	7.9
173.13223	3.8
175.11115	3.5
175.14839	4.6
183.06502	5.6
184.07368	18.2
185.13344	4.3
187.11148	3.6
187.14890	5.0
194.68628	2.8
201.07649	3.8
201.16414	4.7
217.19557	22.0
235.20634	13.9
309.24271	92.1
453.29031	6.4
468.05328	3.1
471.29266	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87696	1.9
67.05505	3.1
69.07053	5.6
70.67455	4.8
79.05481	3.0
81.07057	9.1
83.08626	3.0
84.83354	2.0
84.95464	2.1
93.07050	8.1
95.08611	39.3
105.07027	2.9
107.08596	15.0
109.10173	14.5
119.08607	5.3
121.06524	2.3
121.10152	22.4
123.11646	2.8
128.03844	2.1
133.10152	2.6
135.08084	4.5
135.11694	6.5
137.13264	2.3
145.10159	2.8
149.09595	5.0
159.11678	2.8
161.09625	2.9
163.07565	3.7
163.11108	2.3
163.14830	7.0
167.03734	2.3
173.13234	2.8
177.16373	7.8
185.13280	2.1
187.14856	2.7
191.17947	10.1
201.24878	1.8
205.15892	5.0
217.12140	2.6
233.15349	23.3
315.19608	3.2
351.27136	2.7
383.25745	3.2
389.32477	2.3
407.33136	14.0
411.32492	3.4
425.34164	100.0
426.34448	2.8
453.33722	46.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.3633
Annotation	Codaphniphylline
Peak:m/z	Relative Intensity
55.05513	1.7
57.07078	1.5
58.06602	0.3
58.21028	0.3
61.02920	0.4
67.05494	2.9
69.07079	2.8
71.08605	0.4
71.49335	0.4
79.05483	1.8
81.06593	0.5
81.07063	9.9
83.08643	1.7
85.02881	0.4
86.09703	1.3
88.52721	0.2
91.05466	1.2
93.07053	4.4
94.86806	0.2
95.04955	0.3
95.08614	12.1
96.04506	0.3
96.08916	0.3
97.10178	0.8
105.07025	1.5
106.06564	0.8
106.07298	0.3
107.07438	0.3
107.08606	6.1
109.10173	5.8
109.10921	0.4
111.11723	0.3
117.07007	0.4
119.08588	1.8
121.10150	4.6
123.11715	3.9
125.00013	0.8
129.61798	0.2
133.10165	1.2
134.09666	0.5
135.11697	3.5
137.13275	4.6
145.10115	0.3
147.11703	1.0
149.13266	3.5
150.09137	0.6
151.14841	0.7
152.10715	0.8
159.11722	0.4
161.13306	1.1
163.14804	3.0
166.08722	0.3
168.10184	0.3
175.14804	0.8
177.16373	0.7
179.49413	0.2
182.08134	2.1
184.07361	3.8
184.09723	6.7
189.16405	0.7
191.18056	0.5
196.09702	24.9
197.10039	0.3
203.18013	0.8
205.19591	0.4
208.09697	0.3
217.19601	0.6
222.11282	0.3
224.12714	0.4
231.21140	0.4
240.28035	0.3
250.14520	0.8
264.15936	0.3
272.21075	0.3
299.05597	0.3
439.27063	0.3
470.36343	100.0
471.36887	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	470.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17150	1.2
53.03945	4.2
55.01878	4.3
55.05507	4.1
57.03435	6.0
58.06609	8.5
59.05000	14.5
59.99102	6.4
60.42410	1.6
61.02939	8.8
67.05514	2.9
69.03432	20.1
71.02470	5.7
71.04996	3.1
71.06122	1.6
71.49591	2.8
72.04519	3.2
72.08149	5.9
73.02921	4.0
73.06557	14.7
79.05500	4.0
81.03423	11.2
81.07046	2.5
85.02911	74.2
86.09795	1.5
87.04478	2.3
89.03902	3.5
91.03979	3.8
91.05486	5.6
93.05761	1.5
93.07060	3.1
94.06569	6.4
95.08582	2.3
96.04505	2.1
96.08983	1.5
97.02909	22.4
97.06507	2.0
98.06052	3.9
99.04452	6.1
100.02197	2.6
101.07149	8.8
102.05511	1.7
106.06563	44.9
108.08119	4.4
109.02871	6.3
116.07064	2.4
117.03394	15.4
118.03252	100.0
119.04916	3.0
121.06504	2.1
122.06032	29.2
122.09670	4.5
127.03934	18.6
132.04797	23.3
132.08057	3.5
134.06017	5.7
136.07599	26.5
138.09135	2.1
139.04980	2.7
140.07080	4.1
143.11806	9.6
145.02879	24.4
145.04971	27.5
146.06029	2.2
147.04465	1.9
148.07593	1.4
149.06029	3.3
149.07123	3.5
153.10254	2.4
157.06396	1.8
160.07562	6.2
161.03772	4.9
161.40396	1.4
162.05513	2.1
163.06020	5.3
163.07310	1.7
164.07088	35.7
174.09116	7.6
176.07101	2.8
176.10724	9.4
177.05463	40.4
177.06688	11.6
177.10268	3.4
178.08699	2.5
181.09747	32.7
184.07367	2.0
188.07047	12.4
191.08170	38.7
191.11781	3.2
192.10172	1.9
198.09183	1.6
200.10791	1.8
202.08647	35.5
203.08508	43.0
204.10301	4.9
205.06175	1.8
205.11174	2.8
206.08136	2.5
211.39247	1.4
214.67993	1.4
216.10318	2.3
217.09746	2.4
219.11336	3.9
220.09700	4.5
230.08162	20.0
243.06181	3.4
244.09721	5.4
245.09352	3.2
247.10818	3.1
248.09195	19.0
261.12448	2.8
262.10672	2.2
265.12061	2.0
266.09625	3.3
272.09177	11.7
273.09009	1.7
279.13348	2.0
280.26697	1.4
287.10345	9.9
288.08560	2.9
289.11774	2.6
290.10233	3.0
291.09851	2.2
307.12906	25.7
315.09314	1.5
333.10794	8.7
340.12915	2.1
365.13815	28.1
406.17789	2.5
408.18216	17.2
424.18631	4.0
452.13147	2.1
452.19791	1.7
470.19415	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17150	1.2
53.03945	4.2
55.01878	4.3
55.05507	4.1
57.03435	6.0
58.06609	8.5
59.05000	14.5
59.99102	6.4
60.42410	1.6
61.02939	8.8
67.05514	2.9
69.03432	20.1
71.02470	5.7
71.04996	3.1
71.06122	1.6
71.49591	2.8
72.04519	3.2
72.08149	5.9
73.02921	4.0
73.06557	14.7
79.05500	4.0
81.03423	11.2
81.07046	2.5
85.02911	74.2
86.09795	1.5
87.04478	2.3
89.03902	3.5
91.03979	3.8
91.05486	5.6
93.05761	1.5
93.07060	3.1
94.06569	6.4
95.08582	2.3
96.04505	2.1
96.08983	1.5
97.02909	22.4
97.06507	2.0
98.06052	3.9
99.04452	6.1
100.02197	2.6
101.07149	8.8
102.05511	1.7
106.06563	44.9
108.08119	4.4
109.02871	6.3
116.07064	2.4
117.03394	15.4
118.03252	100.0
119.04916	3.0
121.06504	2.1
122.06032	29.2
122.09670	4.5
127.03934	18.6
132.04797	23.3
132.08057	3.5
134.06017	5.7
136.07599	26.5
138.09135	2.1
139.04980	2.7
140.07080	4.1
143.11806	9.6
145.02879	24.4
145.04971	27.5
146.06029	2.2
147.04465	1.9
148.07593	1.4
149.06029	3.3
149.07123	3.5
153.10254	2.4
157.06396	1.8
160.07562	6.2
161.03772	4.9
161.40396	1.4
162.05513	2.1
163.06020	5.3
163.07310	1.7
164.07088	35.7
174.09116	7.6
176.07101	2.8
176.10724	9.4
177.05463	40.4
177.06688	11.6
177.10268	3.4
178.08699	2.5
181.09747	32.7
184.07367	2.0
188.07047	12.4
191.08170	38.7
191.11781	3.2
192.10172	1.9
198.09183	1.6
200.10791	1.8
202.08647	35.5
203.08508	43.0
204.10301	4.9
205.06175	1.8
205.11174	2.8
206.08136	2.5
211.39247	1.4
214.67993	1.4
216.10318	2.3
217.09746	2.4
219.11336	3.9
220.09700	4.5
230.08162	20.0
243.06181	3.4
244.09721	5.4
245.09352	3.2
247.10818	3.1
248.09195	19.0
261.12448	2.8
262.10672	2.2
265.12061	2.0
266.09625	3.3
272.09177	11.7
273.09009	1.7
279.13348	2.0
280.26697	1.4
287.10345	9.9
288.08560	2.9
289.11774	2.6
290.10233	3.0
291.09851	2.2
307.12906	25.7
315.09314	1.5
333.10794	8.7
340.12915	2.1
365.13815	28.1
406.17789	2.5
408.18216	17.2
424.18631	4.0
452.13147	2.1
452.19791	1.7
470.19415	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.6
54.78913	0.5
55.01870	4.2
56.05023	1.7
60.04512	0.7
65.03939	1.5
67.05503	9.2
68.05035	1.2
69.03421	1.5
71.02105	0.7
71.02481	11.4
72.19984	0.5
75.83540	0.5
79.05493	1.3
81.03406	0.6
81.07051	1.4
82.06593	0.5
85.02896	0.6
85.69034	0.5
89.03918	3.0
91.04922	0.6
91.05483	9.7
93.05775	2.3
93.07045	6.0
94.06572	14.1
95.04963	1.5
95.08589	1.1
96.04496	2.1
97.06503	0.9
98.06057	8.5
103.02811	0.5
103.05467	1.2
104.05016	0.6
105.04504	1.0
105.07011	0.9
106.06551	1.4
107.08560	0.6
107.49289	0.5
108.04462	1.0
108.08115	13.7
109.06509	0.6
110.06070	2.3
110.09686	0.8
112.07563	0.6
115.05464	1.0
116.07096	1.8
117.03367	7.8
117.05759	1.5
118.06544	2.5
119.04938	6.2
119.08616	0.9
120.08073	1.4
121.06490	3.0
121.07633	1.0
122.06030	59.3
122.09666	1.4
124.03957	1.1
124.07610	2.9
128.06210	0.7
129.06996	2.6
130.06517	1.0
131.07306	1.4
131.08560	1.5
132.04434	1.3
132.08099	6.9
134.06023	1.8
135.09171	0.7
136.07576	54.0
137.06006	1.1
137.07915	0.7
138.05403	0.7
138.09135	4.0
140.07063	10.5
142.06494	1.0
144.08011	0.5
145.02849	16.2
146.06013	2.7
146.09683	3.3
147.04404	4.1
147.05502	1.4
148.07550	1.8
149.05969	2.6
149.07104	10.9
150.05513	2.4
150.09152	1.5
151.08646	1.1
152.07054	1.1
153.10216	5.2
156.08076	2.0
157.06570	2.4
157.08894	0.8
158.08160	4.0
158.09366	1.0
159.06789	2.2
159.08000	0.9
159.09151	0.8
159.11774	0.5
160.07587	14.5
161.05920	0.5
161.13254	0.7
162.05489	4.2
162.09186	0.7
163.08707	4.6
164.07068	100.0
165.07373	1.3
165.10204	1.2
166.08665	1.0
170.09711	0.7
171.09189	0.5
172.07564	1.1
172.11218	2.3
173.08363	0.7
173.10889	0.6
174.05574	0.6
174.09155	20.3
175.05066	1.0
176.07146	0.7
176.10716	1.3
177.05415	22.6
177.06630	35.9
177.10068	3.4
178.04987	0.9
178.07266	1.2
178.08643	9.2
180.06499	0.5
181.09717	84.2
182.08162	4.2
184.07581	2.6
185.05992	1.6
186.05446	0.9
186.09181	0.6
187.06247	1.1
187.08774	0.6
188.07063	27.3
189.10233	1.4
190.08658	1.3
191.08157	88.2
192.08626	0.8
192.10210	3.3
193.09750	2.2
194.08186	1.5
198.09221	0.9
199.08781	0.7
200.07004	1.4
200.09225	1.2
200.10934	3.5
201.10190	4.6
202.08632	77.4
203.04564	4.5
203.08083	5.2
205.06146	3.3
205.09708	8.5
206.08113	10.6
212.07047	0.7
213.05414	1.1
215.11819	2.9
216.10199	9.6
216.12119	0.7
217.09720	6.0
219.11302	15.1
220.09702	11.6
226.08507	1.2
227.08150	2.9
228.06778	0.8
228.08762	1.4
229.09714	1.4
230.08122	47.5
231.07635	4.3
231.11195	2.4
233.09218	1.8
235.10713	0.8
237.12280	3.6
241.09660	1.1
243.11298	7.3
244.09682	13.2
245.09221	9.2
247.08260	0.9
247.10774	9.7
248.09184	48.3
254.08206	1.1
259.10867	2.7
260.09286	0.6
261.12338	6.4
262.10727	7.4
263.10333	3.6
264.10721	1.0
265.11816	9.3
271.10693	1.9
272.09177	25.6
273.08704	3.4
277.11707	0.8
279.13428	7.6
285.12405	2.7
287.10254	28.6
288.05725	1.0
288.08646	11.8
289.11789	13.9
290.10226	11.4
291.09836	5.3
303.13327	1.8
304.11884	0.6
305.11401	1.2
307.12878	85.4
308.13351	1.4
315.09744	3.4
319.12753	0.6
321.14584	1.2
323.09995	0.7
331.12878	1.1
333.10803	26.5
340.13156	3.1
352.16537	3.1
364.16623	1.4
383.16116	0.8
406.17783	3.2
424.18646	9.7
425.17081	4.4
428.18179	1.2
434.16614	0.7
440.01285	0.5
442.19812	0.8
452.18112	5.5
470.19327	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	469.28
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	16.8
55.01865	10.0
55.05509	25.5
57.03435	42.4
61.02927	84.8
63.15982	3.9
67.05508	100.0
69.03430	51.2
69.07069	21.9
70.56905	4.5
70.57269	12.1
70.95692	3.5
71.01347	10.0
71.04978	10.5
73.02917	34.0
79.05499	99.4
81.03418	30.4
81.07064	84.8
83.04986	9.8
83.08620	9.5
85.02911	80.9
85.06537	4.1
87.04463	6.7
88.25842	3.6
91.03963	45.4
91.05487	60.2
93.07053	94.1
95.04966	13.6
95.08611	67.4
97.02895	66.9
97.06560	5.5
99.04462	8.7
99.08125	4.9
101.02375	17.0
103.03925	9.1
103.05482	3.8
105.07047	34.6
107.04961	5.6
107.08588	35.7
109.02888	15.0
109.06522	11.5
109.10154	28.7
111.08026	4.9
115.03880	3.5
117.06997	19.2
119.08588	27.5
121.06507	4.5
121.10136	47.5
123.08051	4.8
123.11706	13.3
125.09632	6.2
126.79319	3.9
127.03921	25.5
128.06270	6.5
129.05470	8.7
129.07027	9.7
131.08607	26.8
133.06465	4.1
133.10143	29.1
135.08096	5.0
135.11694	29.9
137.09630	6.9
141.06894	5.6
143.08582	7.4
145.04982	9.0
145.10091	18.4
147.11682	25.1
149.09578	8.6
149.13254	14.0
151.11180	7.8
155.08633	5.1
157.10139	6.6
159.06519	4.0
159.11691	24.3
161.13345	7.1
163.11250	4.2
169.10194	4.8
171.11714	8.1
173.13264	14.4
175.14830	3.7
177.12825	4.7
183.11722	6.0
185.13219	6.4
187.14832	7.8
189.12801	5.4
205.19563	4.3
213.16422	3.6
215.14375	4.0
215.17973	20.7
233.18991	10.0
275.20248	5.1
307.22656	75.0
335.22375	5.5
440.84326	4.9
451.21194	6.2
451.27075	8.2
469.28177	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	469.3319
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
55.05511	26.1
67.05498	49.8
69.07063	24.4
69.14571	84.9
69.14993	40.4
79.05504	63.6
81.03432	17.2
81.07079	77.6
83.08617	19.6
91.05484	45.6
91.76567	10.6
93.07042	58.5
94.07389	12.6
95.04994	23.8
95.08621	69.6
95.75747	12.8
95.87514	12.1
97.06544	18.7
98.20715	25.5
105.07022	85.7
107.08588	87.9
109.06583	16.5
109.10174	43.8
114.34245	11.8
117.07029	15.5
119.08600	100.0
121.10149	57.6
123.08072	15.4
127.96344	12.3
129.07059	28.8
131.08574	55.3
133.10144	78.2
135.08069	13.8
135.11691	39.0
137.05898	13.5
139.11182	15.6
143.08582	24.7
145.10135	68.6
147.11711	29.5
149.13304	29.5
156.09337	12.8
157.10153	34.3
159.11725	53.0
161.13271	49.5
171.11647	30.3
173.13292	55.5
175.14828	29.5
177.16406	16.0
185.13306	32.0
187.14842	69.1
189.16391	23.4
191.14297	73.5
192.66418	11.1
199.14848	27.4
201.16411	95.4
203.14246	12.9
203.18118	14.7
213.16348	24.9
219.17590	19.6
221.15401	33.2
224.22197	13.1
225.16481	17.6
229.91444	13.5
232.45723	13.5
247.17050	16.7
265.89648	12.5
309.19058	12.5
405.31595	44.5
423.32410	42.5
433.31158	19.5
451.32269	28.0
469.33279	93.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.8
55.05516	0.7
55.87151	0.4
57.03439	0.7
61.02937	0.5
62.58543	0.4
63.02378	0.5
65.93141	0.4
67.93172	0.3
69.03441	1.2
69.07102	0.5
71.48750	0.8
73.02927	0.4
73.06573	0.7
78.04706	0.5
79.05486	0.5
81.03436	0.7
81.07066	0.6
83.04986	0.5
83.08623	0.4
85.02906	4.5
89.03925	11.2
91.05492	1.5
93.07046	0.5
95.04948	0.4
95.08621	0.4
97.02887	0.7
97.06566	0.8
100.11239	1.0
103.05513	0.4
105.07021	0.5
106.04170	0.8
106.06566	1.9
107.08681	0.4
109.02912	0.7
117.03391	27.2
118.03248	4.4
119.04942	0.6
121.06493	0.5
122.06051	0.7
122.09648	0.7
123.04404	0.5
127.03899	1.0
129.06987	0.5
132.04799	0.8
134.03685	2.1
135.04449	1.3
136.07588	0.7
137.05983	0.9
142.12268	0.5
145.02858	60.0
147.04352	0.6
149.06000	8.7
161.05991	0.4
163.03905	0.9
164.07024	1.1
176.07021	0.6
176.10701	3.3
177.05486	100.0
178.05786	1.2
181.09760	0.7
185.09647	0.5
186.05551	1.0
187.07510	0.6
188.07007	0.6
191.08177	1.0
202.08690	1.1
203.08459	1.1
204.10185	1.3
205.11035	0.6
206.11766	0.7
213.09012	0.7
223.02911	0.4
230.11775	0.8
241.08597	0.5
248.09227	0.7
276.12332	3.9
287.10236	0.6
294.13281	1.4
307.12878	0.7
365.13641	1.4
408.18140	4.1
452.13202	0.5
452.20331	0.6
470.20770	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02398	0.2
53.03940	0.7
55.05523	0.3
57.07067	0.7
59.04998	0.2
63.35592	0.2
65.44888	0.2
67.05516	1.3
69.07079	0.2
69.79700	0.4
69.80106	0.8
71.08634	0.4
77.03912	0.4
77.49068	0.2
79.05497	3.8
81.07061	0.4
83.08626	0.4
89.06036	1.8
95.04961	0.7
95.08576	0.5
100.34547	0.2
103.05470	2.7
105.07034	100.0
106.07382	1.0
109.10169	0.9
110.10529	0.2
121.06508	0.3
131.08578	0.5
133.08627	0.9
134.92636	0.2
147.08046	0.8
165.09119	2.1
177.11201	0.4
209.13377	0.3
223.11278	0.2
225.12717	0.4
241.12268	0.6
251.14299	0.7
253.15868	1.3
257.24805	0.2
269.15375	4.1
269.18066	0.2
283.17578	0.5
301.15753	0.2
329.19257	0.3
345.18503	1.0
468.37534	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3087
Annotation	Buprenorphine
Peak:m/z	Relative Intensity
56.05024	1.1
57.03429	1.0
57.07072	4.6
58.06609	1.4
59.07373	0.6
60.08167	15.5
64.99280	0.4
67.05492	1.3
69.07043	0.9
69.29172	2.0
69.29601	2.0
71.07376	6.9
71.08619	2.5
76.03387	0.5
81.07054	1.8
83.08585	0.6
83.16285	0.4
85.10171	1.0
86.09706	50.9
89.06012	0.7
93.07093	0.5
95.08600	1.9
98.98474	3.4
104.10742	100.0
105.07027	0.7
109.10200	0.7
125.00000	27.9
137.06018	0.7
163.01511	0.7
184.07343	94.9
196.43146	0.5
196.67834	0.5
258.11063	1.1
285.24258	1.9
385.97708	0.5
391.22705	0.8
450.29880	8.7
468.30893	24.8
469.31229	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26799	5.5
55.01879	10.1
55.05512	35.3
57.03430	8.1
57.07070	7.7
59.04993	8.2
61.02927	6.0
62.47806	5.8
67.05494	20.7
69.03421	15.1
69.07066	13.1
69.20813	53.4
70.06583	7.0
71.05000	6.2
71.08627	28.1
73.02927	10.2
79.05479	12.9
81.03404	20.3
81.07066	30.1
82.06570	7.6
82.92279	5.4
83.04993	10.8
83.08601	21.4
85.02898	28.5
85.06554	12.8
87.00817	7.0
88.11257	22.9
91.05482	22.2
93.07063	27.8
95.04948	6.9
95.08621	28.0
97.02900	17.2
97.06521	13.3
99.04431	8.4
100.07629	12.4
100.11262	51.8
105.07028	26.4
107.08569	20.3
109.02867	14.3
109.06542	8.7
109.10144	18.0
111.04444	23.4
111.08110	6.8
117.07020	7.9
119.08580	22.8
121.10155	15.6
122.09698	11.3
123.11708	9.6
127.03921	16.8
128.07080	17.1
131.08569	16.9
133.10132	18.0
135.11713	11.8
137.05968	23.5
140.07051	11.0
145.02806	11.9
145.04921	10.3
147.11705	14.1
149.13257	7.8
159.11647	10.3
161.09659	7.0
161.13286	13.6
170.15405	100.0
173.13240	7.0
175.14847	7.6
177.05475	27.1
182.15392	57.8
193.43951	6.0
198.14929	76.1
201.16508	7.7
203.14351	7.0
209.16455	12.4
210.14896	67.4
228.15819	7.8
238.53818	6.1
250.80640	5.6
255.16885	9.7
272.19672	28.1
272.85883	7.5
297.25406	11.3
337.21167	25.8
351.14139	7.8
354.23834	14.4
382.23468	15.9
424.31485	23.3
451.32492	15.2
469.16580	9.6
469.33743	84.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	12.0
55.01872	8.5
55.05513	27.6
57.03444	38.2
57.07066	4.7
61.02930	69.7
65.03945	6.2
67.05509	93.5
69.03435	54.3
69.07077	25.8
71.01330	7.9
71.04987	12.8
71.49120	4.1
73.02918	42.4
79.05496	100.0
81.03427	35.6
81.07068	78.3
83.04982	17.9
83.08614	11.5
85.02906	77.0
85.06554	6.1
86.09703	5.8
87.04475	6.1
91.03957	44.2
91.05485	57.7
93.06486	6.4
93.07051	89.7
95.04967	15.5
95.08614	71.7
97.02901	57.9
97.03514	5.1
97.06514	13.6
97.10179	5.3
99.04454	19.6
99.08077	9.4
101.02374	16.2
103.03954	12.2
105.07037	54.4
107.04925	4.5
107.08605	40.5
109.02892	21.5
109.06551	10.9
109.10172	39.1
111.08147	4.8
117.07013	17.8
119.08585	46.8
121.06529	7.3
121.10141	51.3
121.32239	4.5
123.08102	5.6
123.11693	10.0
123.23883	4.1
125.00033	6.9
127.03928	31.8
129.05460	6.1
129.06979	13.3
131.08565	30.7
133.10185	35.7
135.08037	4.6
135.11678	28.3
137.06033	8.1
137.09666	4.5
139.11180	6.7
143.08537	9.1
145.04947	15.1
145.10101	33.5
147.08102	4.0
147.11694	19.8
149.09619	9.3
149.13263	15.6
155.08508	6.4
157.10147	7.2
159.11728	25.2
161.09749	4.9
161.13277	11.8
163.11143	6.1
169.10194	8.3
171.11713	7.4
173.13290	18.2
175.14777	5.5
183.06613	6.4
183.11679	5.5
184.07375	13.0
185.13240	6.1
187.14861	6.0
189.12886	5.4
189.16467	4.0
192.37492	4.6
201.07573	4.5
201.16354	6.4
209.13261	5.0
213.16533	5.5
215.17975	20.5
227.17966	4.8
231.17313	4.1
233.19023	12.3
307.22678	71.5
313.10623	5.3
341.21271	6.4
359.22205	7.8
377.23434	4.6
401.78970	4.0
433.25735	6.0
451.20984	4.8
451.26526	5.7
451.32025	11.4
469.27658	23.5
469.33908	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	467.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14100	1.0
55.05516	13.4
57.03433	2.3
57.06799	1.7
57.07080	34.2
59.04988	4.4
64.86188	1.2
65.03947	2.5
67.05509	100.0
69.07069	7.4
70.62844	3.3
71.04993	3.2
71.08636	25.0
79.05492	4.1
81.06595	1.8
81.07063	29.2
83.08628	16.4
85.06548	1.9
85.10185	13.3
89.06061	1.2
91.05489	9.3
91.80680	1.0
91.97263	1.1
93.07057	4.0
95.04951	1.5
95.08613	26.8
97.10184	5.3
105.07032	1.2
107.08584	2.2
109.10163	79.8
111.08092	2.2
111.11706	2.3
119.08575	6.5
121.10091	1.0
123.11711	5.0
125.13288	1.5
137.09674	2.3
137.13281	1.8
137.21481	1.1
147.31784	1.1
155.10664	5.1
173.11739	23.6
173.13173	1.9
180.86227	1.1
221.22636	1.4
239.23705	7.3
416.90714	1.0
467.37387	75.2
468.37854	1.7
470.92856	1.2
480.73145	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	0.6
53.03959	0.7
55.05513	13.1
55.10416	0.7
55.21842	0.5
57.03436	2.4
57.07077	34.9
59.04999	5.3
59.07076	0.5
65.03939	2.1
67.05505	100.0
69.07068	8.4
71.04987	2.6
71.08633	20.9
79.05502	3.2
81.07057	27.7
83.08619	14.9
85.06557	3.3
85.10183	11.7
89.06049	0.6
91.05473	6.7
93.07052	3.9
95.07982	1.3
95.08604	26.6
97.06586	0.7
97.10183	5.1
99.11754	0.8
105.07033	6.0
107.08588	2.3
109.06496	0.7
109.10157	76.0
111.08089	2.5
111.11738	1.7
113.13280	0.6
113.87751	0.6
119.08579	4.8
120.29471	0.5
123.11717	3.7
125.13272	1.4
127.11223	0.6
135.08081	0.7
137.09630	3.3
137.13260	1.9
137.65317	0.6
151.14882	0.7
155.10654	4.7
161.09625	0.8
173.11740	22.5
193.02335	0.7
215.97725	0.6
221.22675	0.6
239.23709	7.5
444.51053	0.7
467.37357	73.5
468.37671	2.2
472.39377	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.2
53.03706	0.3
53.03947	5.0
53.97972	0.2
54.04282	1.2
55.01872	10.1
55.05510	6.5
56.02210	1.0
56.04997	0.2
56.05844	0.7
57.02297	0.3
57.03437	7.8
58.03782	0.5
59.04994	0.7
59.83218	0.2
59.99115	2.1
61.02928	6.0
61.04046	0.6
61.98693	2.5
62.03264	0.5
67.01863	0.2
67.05509	0.5
68.99794	4.0
69.03429	47.6
69.07066	0.5
69.82987	1.0
70.00117	0.5
70.03371	0.2
70.03762	4.7
70.16313	0.2
71.01363	1.0
71.03841	0.9
71.04991	7.1
72.05318	0.9
72.08158	5.9
73.02918	8.5
73.06555	19.8
73.08480	0.5
74.03249	0.6
74.06887	2.0
75.03339	0.5
75.06937	0.3
79.05482	0.6
81.03418	44.8
81.07060	1.3
82.03752	5.4
83.01347	2.2
83.03777	0.4
83.04160	0.3
83.04964	0.5
85.02906	100.0
85.07676	0.7
86.03236	10.8
86.06062	2.8
86.27410	0.2
87.00829	44.0
87.03295	4.4
87.04459	2.3
87.06380	0.4
88.01153	3.1
88.04801	0.2
89.01253	1.4
89.04257	0.3
91.03936	2.9
91.05480	0.8
93.04427	0.3
93.07073	1.2
95.04971	0.5
95.08594	0.6
97.02892	56.7
97.06517	0.6
97.33713	0.2
98.03225	7.4
98.06066	0.2
98.20763	0.3
99.00844	0.3
99.03428	3.0
99.04453	24.3
100.04785	3.3
100.07627	0.3
101.02366	1.3
101.04826	1.1
102.00146	1.4
103.00529	0.3
103.03963	0.9
103.99699	2.3
104.03347	0.3
105.01865	33.6
105.07029	1.1
106.02200	3.2
107.02278	2.5
107.08614	0.7
109.02880	36.1
109.10119	0.5
110.03197	5.0
111.00838	0.3
111.03301	2.2
115.03937	1.7
115.08694	4.3
116.07088	1.1
116.09048	0.6
117.01846	4.8
117.05524	0.3
117.06996	0.4
118.02187	0.5
119.02262	0.4
119.08598	0.7
121.06513	0.3
121.10164	0.5
123.00815	0.3
123.11712	0.4
125.02353	0.3
125.09637	0.4
126.05556	0.7
127.03916	88.5
128.04250	13.1
129.01845	4.7
129.04359	7.9
129.07011	0.3
130.02171	0.5
131.02293	0.4
131.08568	0.4
132.04790	11.5
133.05174	4.0
133.10136	0.4
134.04361	19.9
134.05241	1.3
135.04706	0.2
141.01872	0.4
141.06549	1.5
143.03407	0.2
143.08574	0.3
144.06543	0.3
145.04965	40.3
145.10158	0.9
146.00719	0.6
146.05316	6.6
147.02910	3.7
147.03957	0.9
147.05411	5.2
147.07993	0.3
147.11726	0.7
148.03267	0.6
149.03355	0.3
153.01862	0.3
157.10150	0.7
157.13374	4.3
158.13763	0.7
159.02890	23.2
159.11700	0.9
159.13957	0.3
160.03207	3.2
160.04384	0.3
161.03336	3.2
161.09628	0.2
162.03833	0.3
169.10100	0.4
171.02885	1.2
173.03352	0.3
173.09689	0.2
175.05310	1.0
176.05606	0.7
177.03874	0.7
177.05156	1.4
181.08676	0.2
183.02768	0.3
187.06065	0.4
189.03944	1.6
190.04234	0.4
191.04364	0.2
199.14995	0.3
201.03995	0.3
201.16444	0.7
213.03925	3.0
214.04262	1.1
215.04446	0.4
217.10046	1.5
218.10445	0.8
219.09525	4.1
219.17545	0.9
229.15997	0.2
231.04996	20.5
232.05322	5.1
233.05493	6.1
233.64900	0.2
249.06042	2.6
250.06516	0.6
251.06660	1.0
261.18549	0.4
309.04642	0.3
309.18408	0.4
310.04236	0.5
382.10300	0.8
449.22195	0.3
467.15616	0.4
467.26254	11.0
468.26550	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	467.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	13.1
55.01879	26.0
55.05512	25.2
57.03439	19.7
59.04996	12.5
61.02927	9.9
67.05514	36.3
68.99783	12.6
69.03425	44.6
69.07059	22.3
71.04984	18.3
71.26215	7.8
73.02922	13.0
79.05492	48.9
81.03422	37.6
81.07056	100.0
83.04991	14.1
83.08619	9.6
85.02912	61.5
85.03397	7.3
85.06538	5.7
87.00820	24.5
91.05474	39.0
93.07052	75.5
95.04961	13.7
95.08597	46.4
97.02910	38.5
97.06525	21.3
97.10177	10.1
99.04482	11.3
100.11288	6.7
103.03941	6.3
103.05515	6.4
105.01865	11.4
105.07032	87.3
107.04971	12.7
107.08603	43.6
109.02883	22.8
109.06525	13.4
109.10159	26.7
111.04438	17.0
111.08087	7.4
115.03925	10.2
115.05419	5.1
117.07015	23.5
119.08595	60.1
121.06511	18.9
121.10143	49.1
123.08060	13.7
123.11746	13.5
125.05923	7.5
125.09628	30.1
127.03927	20.6
127.11141	10.8
128.06256	11.4
129.01823	7.9
129.06998	8.7
130.07771	6.1
131.08566	28.7
133.06494	13.2
133.10124	32.9
135.08090	13.0
135.11697	15.5
137.06036	7.8
137.09613	13.0
139.07553	4.7
139.11160	10.1
141.07040	5.8
142.07788	15.3
143.08589	31.5
143.10738	4.7
144.09280	6.0
145.04950	7.9
145.06474	12.7
145.10123	69.4
147.08044	15.5
147.11687	46.6
149.09685	11.9
149.13293	10.4
153.12788	5.5
155.08604	13.3
156.09416	7.1
157.10123	54.2
159.02942	15.8
159.08073	12.7
159.11699	66.5
161.09627	16.4
161.13289	19.5
163.07526	5.8
163.11255	12.1
167.10695	7.6
169.10156	13.1
171.11653	29.0
173.09709	11.0
173.13246	22.2
175.11232	11.2
177.12723	6.1
179.08571	5.8
181.12291	10.2
183.08028	6.2
183.11700	16.2
185.09615	8.0
185.13293	12.4
187.07613	9.1
187.11258	8.6
187.14812	8.0
189.03967	4.8
189.09116	4.6
189.16437	7.5
191.10689	10.6
195.11768	12.1
197.09641	5.9
197.13292	7.7
199.11417	5.2
199.14859	16.6
201.12860	7.2
201.16383	55.7
203.17996	5.4
205.12256	5.3
207.11801	5.9
209.11769	5.0
211.11159	5.5
211.14989	8.5
213.12785	8.9
213.16440	18.7
215.14236	5.4
215.17867	7.6
217.15930	20.8
219.17416	52.8
227.12819	13.1
229.15866	8.6
231.04953	6.8
231.17456	13.0
243.17465	15.5
247.17068	6.5
255.17436	5.3
259.17068	5.6
261.18542	16.9
283.15530	6.2
285.18579	5.4
309.18555	20.0
327.19434	30.0
345.20663	8.4
431.20743	14.3
449.21683	18.5
466.85791	5.7
467.21719	14.0
467.26233	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	466.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	3.5
57.06797	1.8
57.07077	33.7
59.04993	1.6
60.57876	1.2
61.24030	1.2
64.74997	1.1
67.05511	6.4
69.07055	4.8
69.83546	2.0
69.83953	5.2
71.08636	29.7
73.06548	5.2
78.37312	1.3
81.07052	2.4
83.08628	6.2
84.72913	1.3
85.10191	19.0
85.65583	1.4
87.04470	3.2
89.06038	100.0
97.10153	3.8
99.11710	3.4
107.07067	2.2
109.10141	3.9
111.11717	2.4
125.13311	1.4
133.08611	49.3
133.49982	1.2
141.16368	2.4
151.09663	4.1
155.17970	2.2
173.11774	1.3
177.09770	1.9
177.11157	9.9
195.12297	2.9
211.24088	2.1
221.13689	1.2
239.14914	25.7
255.26822	1.3
299.29538	3.0
323.93744	1.2
449.38403	18.6
466.33749	48.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2258
Annotation	Arg Glu Tyr
Peak:m/z	Relative Intensity
53.08358	0.5
55.01845	1.0
55.05504	2.0
57.03425	1.9
57.33104	0.7
60.34822	0.7
67.05517	3.1
69.03421	2.3
69.07055	2.2
71.04998	1.4
71.48894	1.0
79.05492	4.4
80.12077	0.7
81.03414	1.9
81.07056	5.0
82.33815	0.6
83.08607	1.9
85.02911	4.4
85.06581	0.6
88.60870	0.6
90.42118	0.7
91.05495	3.8
92.42706	0.6
93.07047	4.0
95.04960	1.4
95.08602	4.0
97.02906	1.8
97.06541	2.4
97.10155	1.2
105.07030	4.3
107.04948	1.1
107.08596	3.3
109.02881	1.0
109.06512	1.1
109.10162	3.2
111.04430	1.2
111.08075	1.0
113.10384	0.7
117.07013	1.5
119.08590	3.3
121.06514	0.8
121.10139	2.4
123.11767	1.2
123.82896	0.6
125.09644	1.1
127.03938	2.3
129.06981	0.7
131.08624	1.0
133.10118	2.0
135.08041	1.1
135.11655	1.3
137.06056	1.0
137.09576	0.7
143.08575	1.4
145.10133	2.4
147.11676	2.1
149.13257	1.0
157.10083	0.9
159.11717	1.4
161.13220	1.0
163.11172	1.4
165.24207	0.8
171.11646	1.2
181.12311	0.8
199.14978	0.8
201.03741	0.9
201.16408	1.6
203.05305	1.9
209.11511	0.7
219.17395	0.8
227.12799	1.1
236.35217	0.8
258.74088	0.6
279.04105	0.9
287.23688	1.2
289.17731	5.0
305.17191	3.3
380.99231	0.7
414.27170	0.6
449.25446	1.0
467.22534	100.0
468.23047	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	467.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	12.0
55.01877	16.3
55.05524	17.7
55.32438	3.3
57.03441	11.2
57.07063	5.8
59.04998	14.0
61.02925	16.5
65.03948	3.9
67.05508	25.4
68.99791	8.6
69.03440	49.8
69.07076	15.3
70.18643	5.7
70.19018	13.5
71.05005	23.5
73.02932	12.6
79.05488	34.0
81.03428	41.8
81.07060	100.0
83.04981	10.4
83.08627	9.2
85.02914	65.4
87.00842	36.8
87.04464	4.4
91.05489	41.6
91.57435	3.5
93.07051	58.3
95.04986	13.6
95.08616	46.8
97.02909	36.2
97.06542	16.0
97.10169	9.6
99.04467	13.0
103.03935	9.8
105.01892	14.7
105.07037	87.7
107.04982	14.0
107.08612	54.1
109.02888	23.9
109.06554	10.5
109.10158	32.3
111.08112	4.5
115.03947	12.3
115.05448	6.5
117.07003	23.0
117.12918	3.9
119.08585	53.8
121.06545	21.7
121.10149	45.9
123.08087	9.4
123.11714	16.4
123.92690	3.5
125.06000	4.9
125.09630	21.0
127.03919	26.4
127.11191	7.5
128.06226	11.7
129.01886	7.7
129.07021	15.6
130.07751	4.9
131.08606	34.1
133.06549	6.8
133.10144	38.1
135.08086	10.7
135.11685	10.6
137.09630	8.2
139.11252	11.4
141.07025	7.0
142.07799	13.9
143.08560	28.6
143.10693	4.1
144.09341	7.9
145.05023	5.0
145.06482	10.0
145.10126	65.1
147.08066	11.7
147.11707	60.2
149.09618	7.8
149.13158	4.4
155.08572	12.9
155.10648	7.2
156.09348	8.7
157.10139	49.2
158.10902	4.9
159.02905	7.5
159.08073	13.0
159.11708	60.3
161.09579	6.3
161.13306	16.9
163.11183	3.9
163.14868	7.8
167.08553	4.2
169.10175	14.1
170.10866	4.2
171.08154	10.4
171.11676	24.4
173.09665	10.4
173.13272	24.3
175.11203	8.0
175.14839	5.6
177.09087	4.1
177.12778	5.6
179.08627	5.1
181.10089	8.4
182.10944	4.1
183.11714	15.8
185.09563	6.5
185.13220	11.0
187.11208	9.1
187.14902	7.3
189.09169	6.1
189.12811	5.6
189.16388	8.9
191.18056	5.4
195.11710	11.7
197.09647	3.8
197.13310	13.5
199.11189	6.8
199.14914	12.1
201.12782	7.2
201.16386	47.8
203.17984	9.5
209.13182	4.8
211.14876	5.9
213.12794	6.2
213.16487	21.7
215.14287	5.8
215.18002	5.6
217.15826	22.4
219.17493	50.7
223.11290	8.5
225.12892	4.4
225.16483	4.8
226.43982	4.2
227.17882	3.8
229.15965	12.9
229.19618	3.9
231.05067	4.1
231.17561	17.3
239.14311	6.8
241.12273	4.5
243.17560	15.5
247.16971	7.9
255.17461	4.3
259.17276	5.9
261.18512	20.0
267.17502	4.0
273.18463	6.4
279.90305	3.6
285.08823	9.7
285.18433	10.0
303.19565	4.7
309.18619	24.2
327.19543	30.7
331.09122	7.8
345.20712	6.5
347.67316	4.2
352.08649	3.8
363.21552	6.8
387.27518	7.8
405.28210	8.1
413.19290	4.1
431.20560	20.3
449.21698	29.8
467.22226	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	465.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25433	0.8
55.05502	2.3
57.07067	1.2
59.27245	0.8
67.05503	3.9
69.07063	1.4
71.48760	1.0
81.07054	1.5
83.08614	1.1
95.08579	0.8
97.10209	0.9
109.10145	2.5
109.68472	0.8
173.11790	1.1
229.15659	6.7
230.16426	16.3
231.17206	22.9
231.19547	1.3
249.18280	2.0
257.18753	6.2
271.19113	1.1
272.19775	2.4
333.17957	0.9
415.73779	0.9
431.20746	1.1
465.37088	100.0
466.37219	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86357	1.0
52.41253	1.4
55.01869	3.3
58.99590	8.4
61.01152	17.5
65.95284	1.0
70.93783	2.5
71.04984	1.7
76.02232	28.3
84.08115	1.3
85.03687	1.0
86.99043	1.5
88.02221	2.3
105.00085	2.3
106.06541	2.0
108.04505	6.2
115.85091	1.2
122.02730	34.1
131.08530	1.2
134.06012	2.7
150.05435	1.6
152.03426	2.6
164.07042	2.6
168.08037	1.5
176.07152	1.6
178.05046	10.2
183.09123	1.7
185.10748	2.4
187.05157	1.8
192.06604	1.6
196.07651	2.4
197.07169	4.1
197.10800	1.4
198.07843	3.7
199.08690	11.4
199.95326	1.1
200.09399	2.4
209.07082	2.5
210.07614	1.3
211.05208	1.2
211.08698	11.0
213.06580	1.8
213.10213	12.3
221.07256	1.6
223.08679	5.8
224.07227	1.1
224.09305	2.0
225.06598	9.5
225.10213	6.9
227.08133	3.6
227.11748	3.4
235.08658	2.5
235.99471	1.4
237.06596	6.1
237.10196	2.3
238.07347	1.7
239.08159	25.5
240.08878	2.9
241.06013	2.3
241.09698	7.5
243.07635	3.4
251.08214	5.1
253.06082	5.7
253.09801	7.9
254.06856	2.1
255.07634	5.8
255.11212	5.7
257.09149	4.7
259.10837	6.4
264.06668	1.2
265.06061	8.1
265.09851	1.8
267.07684	20.9
269.09210	3.4
271.07294	1.5
271.10770	2.6
273.12363	9.7
279.07733	3.0
281.09103	10.0
283.07162	7.4
283.10764	5.2
284.07941	2.5
285.08780	18.3
286.14365	2.0
287.04922	1.6
287.10297	2.6
293.05518	3.8
295.07275	8.5
297.08658	3.5
299.10303	15.3
301.11819	25.7
303.04861	1.6
303.09763	4.2
304.05386	2.4
305.09390	1.5
307.07306	1.3
309.08728	24.6
311.06799	2.3
313.08298	14.5
317.11264	7.1
325.08066	7.4
327.09756	57.3
328.10245	1.5
331.09573	13.2
333.08994	4.1
341.05920	10.5
343.09323	23.6
345.10818	100.0
346.10992	2.0
349.08374	1.3
359.06982	16.5
367.07315	1.7
376.13156	3.8
377.08035	51.4
384.10187	3.6
402.11203	10.2
420.12262	23.5
422.13770	7.6
425.69577	1.1
448.11511	3.7
449.10147	1.8
466.12497	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	466.19
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.5
55.01868	1.4
55.05509	5.6
55.28802	0.9
67.05509	10.7
69.07080	1.9
70.54564	2.8
71.05007	3.2
72.77850	1.0
79.05064	1.6
79.05494	16.4
81.03394	1.3
81.07062	10.5
83.04993	3.2
85.02896	2.1
85.04041	1.0
86.09698	2.4
87.04457	1.2
90.00081	0.9
91.05489	33.9
93.07053	15.5
95.04980	2.2
95.08598	0.9
97.02925	0.9
97.06530	2.0
103.05509	1.6
105.04521	1.1
105.07035	48.9
106.07401	1.2
107.08593	10.1
109.06537	2.7
115.05495	2.0
116.06237	2.4
117.07006	2.4
119.04946	3.3
119.08585	16.7
121.10147	16.8
123.11689	1.0
124.99985	1.6
129.07010	8.5
131.04863	1.2
131.08575	36.6
133.06516	1.5
133.10147	20.4
135.11671	4.9
137.05975	20.0
142.07802	2.5
145.10181	7.1
147.04417	1.0
147.08069	2.6
147.11713	9.6
149.09587	6.1
157.10149	7.8
161.05994	1.5
163.11191	7.5
175.11180	14.8
176.07024	2.2
177.07872	12.0
178.08632	5.2
181.12245	5.1
184.07353	5.2
189.81793	0.8
190.03261	1.2
193.12239	5.7
208.04292	4.1
210.05844	74.4
211.03719	0.9
211.06055	1.0
254.04759	2.1
256.06400	100.0
257.06540	1.1
301.12231	1.0
304.05054	1.3
364.17331	1.0
391.02429	0.9
420.18542	1.1
446.53439	1.0
448.18414	1.2
466.19049	25.4
467.18997	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	5.0
55.01878	4.3
55.05510	7.3
57.03429	2.1
59.98812	1.2
59.99113	19.5
61.02921	2.4
64.43144	0.8
67.05497	1.9
68.99771	1.7
69.03088	1.0
69.03428	12.8
71.04981	2.0
71.49190	1.0
71.80606	0.6
72.08159	15.7
73.02919	4.1
73.06556	2.4
79.05502	2.4
81.02932	1.0
81.03418	18.3
81.07078	3.2
83.04987	0.7
83.08624	1.0
85.02904	27.5
86.02440	2.2
87.00834	12.9
87.04478	0.8
91.03968	1.3
91.04983	0.6
91.05469	4.1
93.07045	2.8
95.05016	0.8
95.08601	2.4
97.02892	16.1
97.06538	1.3
99.04469	6.7
102.03778	7.3
102.99653	1.3
105.01873	10.1
105.07061	2.1
107.08599	1.6
109.02886	21.5
109.06497	0.9
109.10201	0.7
111.08101	0.8
115.03881	0.6
116.07095	100.0
117.01877	2.5
119.08608	2.3
121.10129	1.6
125.05946	0.6
127.02973	1.4
127.03915	28.5
128.83267	0.6
129.01869	1.9
131.08574	0.7
133.10120	1.8
135.08061	1.4
135.11646	1.3
137.05936	0.9
145.05077	6.9
145.10069	0.7
147.02939	1.3
147.04425	0.8
147.11617	1.1
158.08138	1.2
159.02902	8.1
165.09171	0.8
211.32912	0.7
213.03979	1.8
217.10106	6.4
231.05049	5.5
465.24789	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	465.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67552	0.6
53.03943	4.9
55.01874	2.9
55.05515	6.7
57.03429	2.9
59.99113	22.9
61.02920	2.7
67.05498	1.7
67.11948	0.5
68.99776	1.5
69.03088	1.0
69.03432	11.5
69.07069	0.9
71.04986	1.9
71.50035	0.8
72.07759	1.1
72.08155	14.5
73.02916	3.2
73.06555	3.3
79.05479	2.3
81.03421	13.9
81.07059	1.7
83.01307	0.7
83.04966	0.8
85.02906	28.3
86.02425	1.8
86.65391	0.6
87.00832	12.3
91.03939	0.9
91.05486	2.3
93.07036	1.8
95.04980	0.8
95.08589	1.4
97.02893	13.8
99.04453	5.1
102.03757	7.5
102.99641	1.6
105.01865	10.3
105.07023	1.4
107.08551	0.8
109.02882	20.2
109.10176	1.2
116.07093	100.0
117.01825	1.0
119.08516	1.0
121.06466	0.7
121.10175	0.7
126.05499	0.7
127.03918	29.2
129.01807	1.8
129.07011	0.5
131.08598	1.0
131.30263	0.6
133.10132	1.0
137.06061	0.6
145.05054	9.4
145.10118	0.8
147.02892	1.6
149.06003	0.8
149.09651	0.8
157.09944	0.7
158.08109	1.4
159.02908	9.2
159.11790	0.6
177.05531	1.0
213.03946	2.5
217.10078	8.2
231.04988	5.4
248.86728	0.6
303.04898	0.8
345.09851	0.7
349.17090	0.7
394.55099	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00316	5.2
53.03956	3.1
55.01865	8.9
55.05508	9.5
57.03430	4.0
59.04992	3.5
65.03909	3.4
67.05508	54.9
69.03448	3.4
69.07059	18.2
71.05003	4.8
71.49730	4.1
79.05495	70.3
81.03415	5.0
81.07059	60.0
83.04972	8.1
83.08618	10.6
91.05487	32.4
93.07039	44.0
95.04965	9.5
95.08624	19.0
97.06524	9.8
99.00828	10.2
99.08075	3.0
105.07034	100.0
107.08589	30.7
109.06517	8.0
109.10131	5.1
111.08096	7.1
114.14437	2.9
115.05472	6.5
117.07024	8.0
119.08580	6.1
121.10138	10.0
123.08078	4.0
129.06970	3.3
131.08542	8.4
133.06494	42.1
133.10130	7.9
135.08080	5.5
135.11682	5.3
137.06033	3.7
147.11682	3.9
149.13258	22.0
151.07539	52.8
151.08682	4.0
159.11711	9.9
179.07050	3.3
195.13805	12.3
197.60565	3.0
207.65416	2.6
217.21329	2.8
257.11548	2.6
303.04868	6.5
337.01877	2.9
366.35880	2.8
393.08334	4.1
465.24539	46.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.262
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88379	1.1
53.03938	1.3
55.01875	11.0
55.05278	1.6
55.05517	22.2
55.27339	1.2
57.03448	7.7
57.07080	9.4
65.98160	1.3
67.05511	16.4
69.07072	28.7
71.04987	1.2
71.08627	6.8
71.49435	2.1
73.02932	6.1
79.05516	7.2
81.03419	2.1
81.07065	15.1
83.08624	25.3
83.09082	0.8
85.06521	1.5
85.10181	2.2
89.06110	1.1
91.05476	2.8
93.07049	9.6
95.08605	9.5
97.06535	4.4
97.10172	12.8
98.98471	51.1
103.58161	1.2
105.07016	2.6
107.08607	5.1
109.10156	7.2
111.08057	1.8
111.11709	3.6
119.08547	1.4
121.10141	8.6
123.11713	1.3
129.05479	3.1
135.11681	6.5
137.00055	1.7
149.13258	2.2
155.01059	47.5
173.11772	1.3
173.83296	1.2
211.03748	2.2
219.21078	2.2
229.04726	2.8
237.22174	9.1
303.04974	1.9
311.25818	100.0
312.26172	1.6
361.75781	1.4
447.25070	15.4
454.60019	1.4
465.29703	1.5
465.35767	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	465.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96864	0.1
53.00313	0.2
53.03945	4.2
53.78189	0.1
55.01871	8.9
55.05510	8.3
57.03436	7.6
57.08043	0.1
59.05004	0.9
59.99110	4.9
61.02925	5.4
61.04046	1.1
67.01856	0.2
67.05511	0.1
68.05409	0.1
68.99789	3.5
69.03428	49.7
69.07032	0.1
69.99297	0.2
70.03755	0.3
70.94281	0.2
70.94606	0.2
71.01353	1.6
71.04992	7.7
72.08154	8.2
73.02917	8.1
73.06554	29.8
74.06886	0.3
78.00153	0.4
81.03416	46.0
82.03749	0.4
83.01345	2.5
83.05000	0.4
84.04476	0.1
85.02904	100.0
85.07662	1.0
86.03229	0.4
86.05650	0.1
86.06068	3.3
87.00827	45.4
87.04465	3.1
88.01186	0.2
89.01235	0.2
89.02364	0.1
89.04238	1.1
91.03959	2.4
95.01327	0.2
95.04990	0.2
97.02891	71.9
98.03234	0.5
98.06048	0.5
99.00840	0.4
99.04453	26.9
100.04800	0.1
100.07602	0.5
101.02375	2.0
102.00126	4.2
102.03770	0.7
102.99667	0.2
103.03958	0.8
105.01864	34.0
109.02878	36.4
110.03715	0.3
111.00765	0.7
114.03768	0.2
115.03933	1.7
115.08692	6.6
116.07104	1.7
117.01852	4.3
117.02686	0.2
117.05517	0.4
123.00773	0.2
125.02331	0.2
126.05553	0.3
127.03914	95.3
128.04269	0.7
129.01834	4.2
132.04787	39.5
133.05115	0.4
141.01823	0.3
141.06557	1.9
143.01619	0.2
143.03395	0.2
144.01157	0.7
145.04970	49.1
146.05286	0.4
147.02882	3.3
157.13367	4.6
159.02884	21.9
168.01183	0.3
171.02887	1.8
174.05850	0.6
175.05374	5.1
177.03958	1.3
181.08621	0.1
183.02899	0.3
187.06013	0.3
189.03960	2.0
195.02914	0.2
201.03806	0.2
204.03275	0.2
213.03929	4.0
217.10062	8.5
231.04994	33.1
232.05322	0.5
249.06062	4.6
308.04346	0.7
320.13382	0.6
362.09421	0.2
380.10001	0.6
448.12598	0.2
465.15445	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.154
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41515	0.6
52.43180	0.6
53.03947	9.2
54.03706	0.6
54.60264	0.6
55.01877	11.1
55.05515	4.9
57.03440	7.2
59.99114	2.8
61.02929	6.9
67.05505	1.0
67.21777	0.6
68.99794	3.8
69.03432	35.2
70.03720	0.6
71.04999	5.8
72.08162	3.4
73.02921	7.5
73.06557	9.5
79.05486	0.8
81.03422	40.6
81.07062	1.2
83.01345	1.9
85.02908	100.0
85.07664	0.9
86.06071	1.7
87.00832	38.1
87.04461	0.9
89.04281	0.7
91.03956	2.7
91.05481	1.8
93.07053	0.8
95.08625	0.8
97.02893	39.9
98.21529	1.2
99.04456	19.5
101.02350	1.0
102.00133	3.5
103.03942	0.9
105.01868	32.3
107.08588	1.2
109.02884	37.4
115.03942	1.4
115.08688	2.0
116.07073	0.6
117.01866	5.5
117.05479	0.7
117.07018	0.9
119.08617	0.7
127.03922	78.4
129.01866	4.4
132.04796	21.8
141.06613	0.8
145.04976	46.7
147.02887	3.8
157.13393	2.0
159.02888	27.8
171.02849	1.0
174.05792	0.8
175.05330	1.4
177.03941	1.7
189.03975	2.0
204.10196	0.7
211.13237	0.8
213.03899	3.8
217.10001	4.1
231.04994	23.3
249.06017	2.0
261.08652	1.4
262.09128	1.4
308.04440	1.5
316.57520	0.6
320.13449	0.9
380.10007	1.4
380.93478	0.6
419.17145	0.7
435.21292	0.6
465.18640	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	9.1
53.36306	1.2
55.01876	10.8
55.05505	3.9
57.03430	5.3
59.99110	1.9
61.02921	6.6
67.05508	1.6
68.99791	4.1
69.03432	31.9
69.03767	1.1
70.21323	2.6
70.21672	3.7
71.04980	5.9
72.08150	2.2
73.02918	8.3
73.06551	5.5
79.05488	3.4
81.03423	39.6
81.07048	2.1
85.02907	100.0
86.06051	2.0
87.00832	32.2
91.03954	2.6
91.05493	2.7
91.75075	1.3
93.07045	3.3
95.08662	1.2
97.02297	2.5
97.02895	29.0
98.21401	1.6
99.04465	14.9
99.08045	1.1
102.00133	2.8
105.01867	30.2
105.07030	1.7
107.08617	2.1
109.02885	37.7
111.46735	1.2
115.08760	1.8
117.01870	3.7
119.08602	2.6
126.52509	1.3
127.03924	75.1
129.01826	4.3
132.04807	19.9
135.62395	1.5
145.05000	35.7
147.02927	4.6
157.13367	1.7
159.02901	23.6
172.56108	1.4
177.04007	1.4
204.10156	1.5
213.03981	3.9
213.40100	1.3
217.10014	3.8
231.05022	18.8
261.08722	4.9
262.09042	5.5
308.04245	1.9
419.17731	1.4
465.18661	3.0
465.24673	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72001	0.4
53.03928	0.7
55.01867	0.6
57.03428	1.2
61.02921	1.4
68.99788	1.0
69.03425	3.6
70.94550	0.4
71.05008	0.6
81.03425	2.8
85.02909	9.5
87.04453	0.4
91.05502	0.6
97.02895	3.6
98.20531	0.4
99.04479	0.5
109.02878	1.0
111.00833	1.1
114.93304	0.4
119.43358	0.4
121.02861	1.5
123.04444	0.7
127.03917	2.0
135.04301	0.5
137.02345	4.4
145.04948	1.3
149.02319	0.9
153.01852	5.3
153.40799	0.4
155.04951	0.6
163.03908	1.1
165.01823	2.9
166.02713	0.4
173.05954	0.6
183.02899	1.2
183.04362	0.5
191.20444	0.4
201.05344	2.1
219.06487	0.7
229.04996	5.2
229.15414	0.5
238.16042	1.6
238.66074	0.8
247.05963	0.8
257.04526	3.2
274.04752	0.9
285.03912	1.5
303.05008	100.0
304.05389	1.4
451.01901	0.6
451.08380	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.103
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
53.03930	0.6
55.01866	0.8
57.03421	0.7
59.04983	0.2
59.59030	0.2
61.01418	0.1
61.02930	1.3
65.03928	0.3
68.99791	0.9
69.03090	0.2
69.03429	3.3
70.01672	0.5
71.04981	0.5
73.02911	0.5
81.03414	2.2
82.85324	0.2
83.01317	0.2
85.02908	9.4
87.04446	0.5
91.03947	0.5
91.05450	0.2
93.03376	0.6
95.04959	0.4
97.02312	0.2
97.02896	3.1
97.06530	0.2
98.21406	0.2
99.04439	0.4
109.02881	1.6
111.00776	0.9
111.98055	0.1
114.61715	0.1
121.02855	1.1
123.04416	0.5
127.03926	2.1
135.04453	0.2
137.02341	4.7
137.03391	0.2
143.04904	0.2
145.04941	1.5
145.06413	0.3
149.02313	0.4
153.01833	5.7
155.04886	0.4
161.06010	0.3
163.03918	0.9
165.01846	2.2
166.02583	0.3
173.05954	0.6
177.01775	0.2
183.02902	1.0
183.04388	0.3
187.03874	0.5
191.03456	0.3
191.06903	0.2
195.02873	0.3
199.17004	0.2
201.05464	2.5
203.03416	0.2
205.04939	0.2
211.03944	0.3
215.03450	0.2
219.06526	0.5
228.04128	0.4
229.04962	5.4
239.03479	0.3
246.05183	0.2
247.06030	0.5
257.04453	3.2
274.04669	0.9
285.03992	1.5
303.04987	100.0
304.05295	1.3
314.50717	0.2
315.04880	0.4
345.05966	0.5
369.05945	0.2
447.09198	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20942	0.9
61.31865	0.9
69.77774	4.7
87.78814	1.0
98.20808	1.8
117.07032	5.6
119.08578	2.2
133.68987	0.9
138.02585	1.0
143.08533	1.5
145.10074	1.4
155.08546	2.8
173.05991	3.8
183.11661	1.5
188.10637	1.0
197.13199	1.7
216.10219	43.5
217.10579	1.2
225.12730	1.6
242.15509	1.4
253.12282	4.7
270.14908	30.3
271.15283	1.4
302.17505	100.0
303.17825	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.103
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
51.49516	0.2
53.03957	0.5
53.90997	0.2
55.01867	0.5
57.03441	1.0
59.04962	0.2
61.02934	1.5
65.03925	0.4
65.31784	0.2
68.99786	0.9
69.03435	3.1
69.17344	1.9
70.41862	0.2
71.04970	0.4
72.08152	0.2
73.02925	0.5
74.28967	0.2
76.16948	0.2
78.50085	0.2
81.03424	1.9
85.02908	9.6
87.04468	0.5
87.17088	0.2
91.03953	0.5
91.05467	0.2
93.03418	0.3
95.04945	0.3
97.02898	3.2
98.21609	0.2
99.04442	0.7
107.05019	0.2
109.02898	1.5
110.03604	0.2
111.00799	1.2
115.03795	0.2
117.07040	0.2
117.47626	0.2
121.02852	1.0
123.04440	0.3
127.03942	2.1
132.48135	0.2
135.04413	0.4
137.02353	4.3
137.03421	0.4
145.04962	1.3
149.02368	0.5
153.01842	5.0
155.04846	0.4
161.05984	0.5
163.03880	0.8
164.06992	0.3
165.01840	2.4
166.02631	0.3
173.06030	0.7
179.03362	0.2
179.12328	0.2
183.02847	0.8
183.04395	0.5
187.03926	0.7
191.06987	0.2
195.02939	0.4
201.05444	1.9
213.05530	0.3
229.04988	5.1
230.05347	0.2
247.06001	0.8
257.04425	3.2
274.04620	1.0
275.05353	0.3
285.03976	1.5
302.17520	0.3
303.04999	100.0
304.05283	1.8
315.04901	2.1
325.77914	0.2
327.04977	0.5
345.06198	1.4
369.06244	0.3
411.07104	0.3
429.08334	0.3
447.09357	0.3
465.10550	0.8
465.17319	0.5
465.23099	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60115	1.1
54.06358	1.2
64.06044	1.0
69.97389	3.6
69.97797	2.5
91.05470	1.8
95.89648	1.1
122.03661	2.1
123.04346	1.2
131.04955	2.1
137.05977	49.9
138.06282	1.8
146.05992	1.9
147.04430	8.0
148.03951	1.4
149.05994	2.0
150.05580	1.6
151.03870	3.5
152.07086	2.6
153.05502	1.4
161.05945	1.5
162.05522	4.7
163.03888	2.7
163.06248	2.9
164.07068	7.4
165.07025	1.7
167.08507	1.3
175.03873	4.5
176.06140	1.2
177.05560	2.3
177.06990	7.4
181.06415	1.4
183.08067	1.4
186.23140	1.2
187.03810	1.3
192.06528	3.4
193.06525	1.8
194.07227	3.3
195.07991	2.3
204.08058	3.2
205.06477	26.8
206.06915	1.3
211.07507	3.1
221.05951	4.6
222.06831	7.9
223.07567	20.3
224.07581	1.4
232.07611	3.8
233.05975	14.5
234.06688	2.9
235.07436	1.1
237.09064	6.8
239.07068	3.9
239.09431	1.5
240.07768	2.6
247.07596	1.4
249.05482	2.1
249.07852	3.2
250.06241	25.7
250.08670	14.0
251.07051	32.2
252.07158	2.2
253.08514	2.4
261.05368	3.3
262.08698	2.1
263.07037	2.5
264.10388	1.5
265.08597	22.7
266.08264	1.7
267.06418	2.6
267.08994	3.3
268.07245	4.8
268.09872	2.5
271.09436	1.3
277.07407	1.5
278.05701	26.2
278.08206	18.0
279.06454	11.3
279.08981	2.9
280.07193	2.3
281.08054	1.3
283.09851	14.6
285.10043	2.7
293.08179	53.3
294.08359	3.0
295.08536	8.2
296.06726	4.7
299.09149	16.9
300.12317	7.7
310.10760	36.1
311.09128	66.0
312.09390	2.5
313.09604	1.4
328.11801	100.0
329.12057	3.1
338.87543	1.1
410.23492	1.3
421.16437	2.2
429.00436	1.3
464.15335	12.1
465.15555	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	462.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	19.6
57.07076	13.4
67.05505	29.5
69.07076	30.0
71.49721	8.5
79.05499	25.1
81.07069	73.8
83.08613	19.1
85.06534	6.8
86.09655	6.0
91.05464	14.9
93.07029	31.5
95.08612	100.0
105.07027	28.8
107.08591	61.0
109.10170	49.5
109.97859	6.0
119.08595	37.5
121.10127	41.0
123.08015	6.9
123.11738	37.0
124.23605	5.9
131.08582	15.2
133.10118	48.1
135.11693	26.9
137.13297	43.9
147.11647	22.2
149.09636	8.5
149.13264	21.5
151.14801	13.9
153.09106	8.9
155.28625	5.9
161.09668	7.2
161.13295	10.6
163.14847	27.1
167.10690	12.9
177.16446	8.1
186.10236	6.2
193.12227	42.9
205.19583	30.2
207.13857	14.7
217.19563	11.1
219.21083	22.2
221.15433	8.4
233.22774	12.2
235.16884	10.3
385.98450	7.3
399.32562	64.9
417.33450	42.8
427.35715	20.0
462.30942	9.3
462.39337	66.3
463.31827	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3356
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.0
71.18359	0.6
78.18217	0.3
79.05495	2.0
95.04974	0.7
106.06561	100.0
107.06892	0.6
140.75211	0.3
191.11853	0.6
207.35106	0.3
463.35474	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3781
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62391	7.5
55.01876	14.0
55.05518	41.0
57.07072	69.8
57.25164	8.1
59.04359	6.1
67.05507	77.1
69.07064	52.6
71.01354	7.9
71.08638	55.8
71.49906	9.4
79.05497	93.4
80.05820	17.7
81.07057	100.0
83.04977	9.7
83.08601	37.8
85.10176	20.5
91.05481	49.4
93.07047	40.0
95.04941	13.9
95.08612	90.9
97.06529	32.7
97.10193	18.5
97.86507	7.2
101.40079	8.6
103.05421	6.8
105.07041	89.1
107.04957	48.3
107.08598	61.4
109.06483	10.5
109.10156	47.2
110.67867	7.2
111.11754	10.9
113.00021	10.7
119.08623	21.6
121.10158	18.4
123.08063	25.7
123.11713	33.2
123.74812	6.5
131.08574	12.0
133.06444	11.7
133.10130	32.7
135.11693	8.6
145.10141	15.1
147.11703	16.9
149.13231	11.5
151.07541	40.1
157.10068	8.9
159.11598	9.0
160.08308	8.0
161.13217	13.3
165.09155	7.1
169.02696	13.4
185.13347	7.9
210.32178	7.7
270.06732	7.6
313.27374	27.7
393.30038	14.2
413.63159	7.2
427.35529	24.3
445.36691	27.5
463.32077	76.1
476.91229	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	462.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65718	3.9
55.01881	5.7
55.05515	11.3
57.07081	23.9
67.05503	17.3
68.05833	6.7
69.07079	17.2
69.40899	15.9
69.41322	14.9
71.08634	14.9
72.08961	3.7
74.41759	3.8
77.62383	3.9
79.05506	100.0
80.05838	20.8
81.07067	30.7
83.08636	11.8
85.10226	7.0
91.05466	29.2
92.05833	11.1
93.07051	25.8
95.04962	6.6
95.08624	42.2
97.06576	7.4
97.10175	7.9
105.07034	21.3
106.07416	4.6
107.04945	4.9
107.08595	68.2
108.08968	23.8
109.06520	5.4
109.10159	20.2
111.08033	4.1
113.00053	12.5
119.08613	11.4
121.10148	14.1
122.10520	4.6
123.11704	13.3
130.02466	3.9
131.08568	9.5
132.04796	15.0
133.10159	10.0
135.11710	9.6
137.13289	10.2
145.06041	4.4
145.10152	5.5
147.11696	6.9
149.09598	4.7
149.13263	10.5
150.09946	6.0
159.11765	6.7
161.13351	5.6
163.14775	6.3
166.05922	4.5
167.07100	5.6
169.02690	7.2
179.14333	7.9
185.28055	4.1
189.16351	5.1
191.17996	6.7
200.54393	3.9
205.19548	7.8
229.19585	4.1
235.16898	5.2
236.88911	4.9
271.24231	23.8
289.25281	11.3
313.27414	10.2
314.27734	12.2
319.56873	4.7
353.53683	4.2
427.35602	26.8
445.36884	26.3
462.26300	15.3
462.36469	34.7
463.32214	12.5
475.95746	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	461.3629
Annotation	Phlomistetraol B
Peak:m/z	Relative Intensity
54.77415	7.6
55.05505	29.5
57.07073	40.3
67.05518	38.7
69.03423	8.8
69.07085	49.9
69.52325	38.2
69.52737	13.6
71.08634	35.2
79.05508	53.2
81.07071	79.9
83.08607	23.7
85.10182	23.9
91.05479	36.5
93.07059	46.9
95.08624	90.2
97.06533	10.2
97.10168	22.3
98.20831	17.6
105.07036	49.0
106.23769	8.2
107.04965	41.8
107.08611	52.5
109.02920	8.9
109.06516	17.6
109.10176	48.9
111.11723	8.9
117.07061	7.0
119.08585	44.3
121.06496	12.5
121.10158	24.4
123.11684	27.0
128.06143	10.9
131.08553	21.3
133.06526	11.5
133.10141	36.6
135.11687	19.8
137.06000	10.4
137.13245	19.2
143.08592	17.0
145.10107	23.8
147.08020	20.5
147.11687	24.1
149.13249	14.4
151.07602	8.3
157.10141	22.8
159.11644	27.7
161.09610	12.3
161.13232	17.7
163.11246	8.2
163.14868	12.2
169.08586	8.5
171.11685	16.1
173.13284	13.0
175.14888	10.1
183.11679	11.2
185.13249	11.9
189.09027	11.3
197.13239	8.0
199.14940	8.3
201.16380	9.9
217.12151	12.4
238.55338	9.7
271.16733	9.5
285.18710	16.1
313.27313	9.4
324.04794	7.7
325.29068	14.1
343.29935	22.8
352.41324	8.6
355.25980	8.4
383.33194	13.9
401.34061	12.5
403.31992	12.6
407.32990	15.2
425.34222	67.8
443.35352	100.0
461.31561	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	462.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
61.68317	1.2
69.75694	5.0
79.10668	1.4
98.21448	1.4
122.03619	1.5
131.04932	1.7
137.05991	35.4
146.06030	2.5
147.04436	5.1
149.06023	1.8
152.07111	1.2
161.05988	2.2
162.05515	4.0
163.06334	3.6
164.07104	4.9
175.03920	2.4
177.04234	1.2
177.06992	8.4
187.03867	1.3
192.06505	2.0
194.07330	2.9
195.08057	3.4
204.08067	2.9
205.06509	30.0
211.07549	2.0
221.06062	2.7
222.06837	8.8
222.08826	2.0
223.07564	22.2
232.07535	2.9
233.06041	13.2
234.06775	4.6
237.09050	8.6
238.08566	1.4
239.07047	2.5
240.07710	1.7
247.07677	1.6
249.05525	2.6
249.07851	4.7
250.06267	25.2
250.08681	12.6
251.07071	32.9
252.07716	4.0
261.05496	3.8
262.08664	1.9
263.06888	1.4
265.08670	19.5
266.08328	3.8
267.06473	2.7
267.08969	2.4
268.07266	2.8
268.09775	2.4
271.09604	2.4
278.05713	27.6
278.08218	16.9
279.06494	9.3
279.09045	3.5
280.07275	1.9
283.09662	20.2
285.09912	1.4
286.13416	1.2
292.09720	1.5
293.08105	53.7
294.07938	2.3
295.08487	6.8
296.06824	3.1
299.09210	14.5
300.12381	5.8
310.10742	33.2
311.09146	65.7
312.09467	1.8
328.11816	100.0
329.12302	2.3
462.13986	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	6.7
55.01870	9.0
57.03446	6.7
57.27906	1.2
61.02923	6.6
61.35347	1.2
68.90691	1.1
68.99802	2.6
69.03430	33.0
69.12715	1.2
69.60539	9.1
70.06602	1.7
70.70469	1.4
71.04988	4.9
73.02914	12.1
81.03416	28.6
85.02910	100.0
86.09707	2.6
87.00836	43.0
91.03955	1.9
97.02897	36.6
98.21500	2.2
99.04464	14.9
103.03939	1.7
105.01871	41.8
108.04472	5.0
109.02895	36.7
115.03894	1.4
115.41503	1.2
117.01841	5.8
119.43882	1.5
126.05531	3.0
127.03922	75.3
129.01842	4.1
137.05986	18.3
145.04968	44.4
147.02841	4.4
147.04369	2.2
151.07585	4.1
159.02908	27.5
161.06042	2.2
175.07538	2.0
177.04015	2.8
177.05476	2.5
179.07019	10.6
189.03918	2.3
194.27774	1.5
203.07057	4.3
206.11778	4.8
213.03967	3.6
221.08185	9.5
230.06628	1.6
231.05023	20.5
239.09200	6.3
243.13455	1.2
245.08112	2.6
248.07715	2.9
249.06120	2.8
251.06918	1.9
263.09354	3.2
287.09174	4.4
305.10104	3.2
311.09235	5.5
328.11606	1.8
377.17545	1.6
400.17587	1.4
419.18637	3.6
463.17642	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	1.3
53.03934	3.2
55.01864	3.6
55.05511	21.1
57.03428	5.2
57.07075	2.9
59.05003	4.5
65.03927	3.5
67.05505	100.0
69.07067	15.1
69.57043	7.4
71.04992	4.5
71.08633	1.6
79.05495	53.5
81.03454	1.3
81.07051	45.4
83.04961	3.4
83.08614	9.8
85.06551	3.1
86.09695	4.7
91.05476	38.0
93.07043	50.2
94.07327	1.6
95.04973	4.4
95.07999	1.7
95.08607	29.8
97.06531	4.6
97.10172	5.2
98.98454	1.4
99.08098	3.5
105.04521	2.9
105.07025	30.7
105.07689	2.0
107.08586	20.2
109.06529	2.9
109.10156	54.6
111.08083	5.2
117.07015	10.1
119.08584	34.5
121.10143	29.9
123.08062	1.8
123.11712	3.5
125.00014	2.9
125.09631	4.1
129.07025	7.5
131.08559	19.0
133.10127	20.9
135.08029	2.0
135.11676	10.2
137.09630	3.9
139.11180	2.1
141.06992	4.1
142.07780	2.2
143.08566	7.6
144.09418	2.0
145.06450	1.4
145.10120	20.0
147.08081	1.6
147.11699	11.3
149.09645	2.4
149.13280	4.1
151.11055	1.4
155.08563	5.2
155.10672	4.3
157.10159	10.1
159.11674	17.3
161.09656	2.1
161.13258	6.7
163.11171	1.6
163.14813	1.3
169.10147	5.7
171.11693	9.5
173.11763	13.1
173.13303	8.9
175.11189	2.5
175.14915	2.0
177.12804	1.5
183.11711	5.8
184.07355	10.0
185.13220	7.1
187.11176	1.6
187.14851	5.9
189.12761	3.0
195.11754	2.3
197.13281	5.6
199.14853	4.2
201.12685	1.4
201.16457	1.8
203.14296	1.5
209.43037	1.4
211.14844	4.3
211.66644	1.3
213.16408	5.7
215.14435	1.6
215.18021	5.6
225.16405	2.8
227.17953	2.6
229.14365	4.3
233.15286	1.6
233.18845	2.6
239.17984	2.5
241.19493	1.7
245.19466	1.4
257.19000	3.0
271.20630	3.8
273.13791	2.7
277.39319	1.4
285.22147	3.3
287.20172	1.3
289.21643	2.6
327.26859	1.5
349.23508	2.0
351.26736	12.3
363.25351	3.9
369.27902	30.4
377.27029	3.3
387.28989	4.5
419.31284	1.6
443.31448	15.6
461.32660	89.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43264	0.3
55.10650	0.3
59.60675	0.3
69.07073	0.4
69.30368	2.6
81.07064	0.3
97.94293	0.3
213.30032	0.3
249.00438	0.3
269.64996	0.3
311.29553	0.5
373.87772	0.3
461.33929	100.0
462.34222	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	461.3628
Annotation	Phlomistetraol B
Peak:m/z	Relative Intensity
51.46854	2.4
53.03934	2.5
55.05500	9.9
57.07065	10.2
59.04990	4.7
66.51178	2.8
67.05511	15.7
68.17998	2.1
69.03423	14.9
69.07067	17.2
69.38010	5.5
69.38414	12.6
71.08646	3.5
79.05487	18.4
81.07057	32.9
83.08607	7.7
85.10165	3.0
91.04961	2.4
91.05461	11.7
93.07041	11.7
95.04971	2.4
95.08611	33.4
97.06518	5.3
97.10173	4.8
98.20767	4.0
99.56254	2.6
105.07036	18.2
107.04954	3.7
107.08602	33.0
109.06498	6.9
109.10155	18.4
111.11677	3.2
112.24722	2.2
117.07029	3.2
119.08576	13.7
121.06441	2.5
121.10146	32.1
123.08060	5.4
123.11715	51.6
131.08577	4.5
133.10132	12.9
135.11691	10.1
137.09554	3.4
137.13298	12.0
143.08572	4.6
145.10103	5.1
147.08057	3.3
147.11737	11.0
149.09566	5.9
149.13243	11.8
151.11136	4.8
159.11699	4.9
161.13220	5.3
163.14835	8.9
165.12714	6.0
173.13364	3.0
175.14839	10.3
177.16371	7.6
181.12257	5.3
189.16441	5.6
191.17979	5.7
205.15906	4.2
209.15280	2.8
211.13269	10.7
217.19530	19.2
233.22620	5.6
235.17030	5.7
243.64500	2.2
245.19031	5.4
305.21097	13.8
368.17767	2.2
371.29282	9.6
385.97638	2.3
425.34052	24.1
426.34427	3.3
443.35294	100.0
461.23212	3.9
461.30551	3.3
461.36487	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	461.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.5
55.01872	4.4
55.05269	2.4
55.05515	28.4
57.03437	8.0
57.07074	4.5
59.05001	4.8
60.08170	2.3
65.03943	4.1
67.05511	100.0
67.44209	1.4
69.03430	2.5
69.07081	15.7
69.30520	12.1
69.51286	1.4
70.06570	1.3
71.04998	5.8
71.08646	3.0
73.02914	1.8
76.53194	1.2
78.90858	1.3
79.05499	55.3
81.03408	2.0
81.07063	57.0
83.04996	4.8
83.08635	16.8
85.02872	1.6
85.06543	5.2
86.09707	11.9
86.18687	1.3
90.33708	1.2
91.05489	36.9
91.06028	2.8
92.05807	1.6
93.07048	49.0
93.07639	2.5
95.04965	4.5
95.08613	36.7
97.06544	9.4
97.10188	4.6
98.98444	2.1
99.08107	3.1
104.10749	1.3
105.04585	1.8
105.07035	38.7
107.08598	25.3
109.06536	3.7
109.10164	61.4
111.08087	6.1
115.05489	1.6
117.07016	11.8
119.08590	35.3
121.06504	3.2
121.10149	31.7
123.08115	1.9
123.11728	6.2
125.00031	6.7
125.09663	4.3
129.07048	7.5
131.08569	22.6
133.06500	1.8
133.10143	21.9
135.08052	3.3
135.11710	12.0
137.09659	4.9
137.13307	2.5
139.11235	2.9
141.07002	4.0
142.07880	1.9
143.08556	10.9
144.09367	1.9
145.06512	1.6
145.10127	22.7
146.06001	1.9
147.06825	7.5
147.08028	2.9
147.11694	15.7
149.09601	2.8
149.13287	4.7
151.11159	1.3
155.08623	4.5
155.10742	1.9
156.09392	1.6
157.10135	10.8
159.08188	2.1
159.11690	16.9
161.09637	3.5
161.13281	5.8
163.11273	2.6
163.14899	2.2
167.10657	3.4
169.10074	7.4
171.10376	2.3
171.11681	10.9
173.09683	3.3
173.11777	12.6
173.13304	13.2
175.11301	3.4
175.14859	3.4
176.07138	3.0
177.12790	2.4
181.10155	1.8
183.11731	7.8
184.07367	35.0
185.13237	7.3
187.14885	5.4
189.11250	1.9
189.12852	2.6
189.16444	3.4
191.17946	7.8
195.11710	1.5
197.13286	7.0
199.14880	6.1
201.12823	2.9
201.16412	2.8
203.14342	1.6
211.14899	4.1
213.16434	4.6
215.14294	1.4
215.18018	4.9
217.19647	1.5
225.16400	2.5
229.14481	3.9
231.17433	2.5
233.15430	2.6
233.19038	3.7
241.19586	2.8
243.17433	2.1
251.20131	2.2
255.17233	1.5
257.19235	1.7
259.20697	1.6
271.20648	5.3
273.13724	8.2
285.22168	3.2
289.21695	2.3
313.21817	2.4
341.28513	2.4
349.23981	2.0
351.26874	14.8
363.25146	2.6
369.23520	2.7
369.27939	31.3
377.26990	3.9
387.29080	4.5
399.38055	1.5
407.32941	1.7
425.34677	2.2
443.31418	18.3
461.32764	99.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97111	3.0
54.86148	3.0
55.05507	9.0
56.39881	3.0
65.29447	3.1
67.05507	15.7
69.03426	14.1
69.07061	13.3
70.09478	14.6
71.04984	5.9
73.02925	4.2
74.55389	3.1
76.31252	3.2
79.05510	9.9
81.03419	12.9
81.07061	28.8
83.04972	4.8
83.08599	4.4
85.02934	19.9
85.06554	37.7
87.00836	4.2
89.25661	2.9
91.05481	16.0
93.07022	20.9
95.05002	4.5
95.08607	33.9
97.02906	9.3
97.06534	10.4
98.20822	3.3
98.97610	7.5
99.04443	3.7
99.08098	3.6
105.07029	18.6
107.07373	6.8
107.08600	22.8
109.02870	15.5
109.06573	5.8
109.10175	10.2
117.07004	5.5
119.08583	13.3
121.10159	15.0
122.09682	30.6
122.10485	5.4
123.04486	5.0
123.11721	6.9
125.09666	7.3
127.03944	17.2
131.08574	8.9
133.10153	13.3
135.11708	12.5
137.05949	6.0
143.08595	6.4
145.10139	10.1
147.11655	9.6
149.09622	4.2
159.11717	12.0
160.12025	3.8
161.13341	8.5
166.08640	5.4
171.11684	11.9
173.13290	5.9
176.07068	3.3
176.10745	4.8
185.13261	3.8
201.16438	4.8
213.14618	8.0
227.18001	7.1
233.19078	4.1
240.28011	3.2
241.14256	6.2
241.22270	3.3
245.19049	12.0
263.20047	12.9
264.20258	15.3
281.21130	100.0
282.21396	7.5
286.17896	5.0
375.19827	25.2
400.21143	9.1
417.20535	51.7
433.14639	3.9
461.20001	86.4
461.26724	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	461.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11519	4.3
55.01900	6.3
55.05511	11.5
57.03457	6.6
67.05507	17.1
69.03419	12.6
69.07063	22.2
70.49331	18.5
70.80693	4.9
71.05012	8.1
73.02930	5.2
79.05482	10.3
81.03421	8.1
81.07058	28.8
83.04997	5.3
85.02903	18.4
85.06554	60.3
91.05497	10.1
93.07056	19.3
95.08608	46.4
97.02881	12.4
97.06517	12.2
99.08075	13.9
105.07035	17.9
107.08583	25.9
109.02892	7.7
109.10191	23.8
113.09663	5.5
119.08606	12.2
121.10159	23.3
123.08136	5.7
125.09620	30.6
127.03909	12.6
131.08524	5.7
133.10149	14.3
135.11676	10.0
137.09666	7.7
139.11179	11.8
143.10674	7.4
145.10156	15.9
147.11703	5.4
149.09497	5.7
151.11232	7.0
154.50026	4.9
159.11693	9.3
161.13277	6.1
162.61130	5.3
163.11179	5.3
171.11700	12.0
175.14877	7.5
177.12878	8.0
177.16336	7.4
195.17419	8.1
201.16328	7.9
217.79263	5.4
227.17896	11.3
245.19078	13.3
257.05917	6.2
263.20078	57.6
277.98187	5.4
281.21124	100.0
299.22400	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	461.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53271	5.5
55.05491	7.5
67.05511	16.9
69.03429	9.0
69.07066	15.7
71.04996	10.4
71.49205	5.9
73.02934	6.9
73.76546	6.0
74.06071	7.2
79.52334	5.8
81.03413	19.9
81.07053	25.5
82.15353	6.2
85.02910	18.6
85.06559	47.6
85.07004	6.1
86.09698	54.9
87.00826	6.5
91.05445	7.4
93.07034	16.1
95.08047	5.4
95.08582	31.0
99.04430	6.8
104.56315	6.4
105.07042	12.2
107.08591	15.0
109.02898	11.7
109.10168	12.3
119.08601	11.7
121.10143	12.6
123.04492	6.2
123.08022	10.1
125.09657	8.1
127.03949	11.1
127.11211	15.6
133.10124	11.2
135.11716	11.6
137.05963	15.7
137.09653	8.3
143.08578	11.2
145.10156	11.4
145.35440	6.0
147.11736	10.8
151.03854	12.6
159.11693	14.5
173.13326	8.3
189.09044	6.0
191.14659	5.7
203.17903	6.1
217.08397	12.8
227.17915	12.0
245.18889	17.2
263.20010	22.7
281.21130	100.0
295.44302	7.7
299.22165	14.0
348.11780	6.6
350.66794	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	461.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	3.9
55.01869	3.2
55.05508	6.8
65.93358	2.2
67.05470	3.2
69.03420	10.6
69.07077	12.0
70.61506	8.2
71.04961	3.0
79.05513	4.8
81.03413	9.8
81.07062	13.6
83.08610	6.1
84.18226	2.5
85.02914	18.3
85.06530	3.5
87.00816	7.1
91.05476	4.7
93.07047	12.2
95.08611	27.1
96.61976	2.3
97.02899	5.4
97.10168	5.8
99.04422	2.6
99.08102	14.9
100.71923	2.2
102.55141	2.7
105.01834	5.3
105.07030	6.7
107.08601	30.4
109.02859	5.4
109.10133	8.8
111.08075	9.5
113.09643	2.8
121.10143	49.6
123.04419	2.8
125.09595	6.8
127.03927	14.7
135.11766	11.5
137.05971	2.7
137.13208	3.8
145.04993	3.6
148.12041	2.5
151.07578	3.3
155.45981	3.0
156.89700	2.3
177.16394	100.0
195.17445	22.6
213.15253	2.4
213.18520	34.1
218.01422	2.2
250.32188	2.5
263.73810	2.8
362.14319	2.8
397.13950	2.9
461.27768	2.9
486.75250	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	461.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	16.0
55.01868	14.9
55.05514	28.1
57.03432	15.5
61.02949	7.6
67.05506	14.2
68.99789	5.8
69.03431	67.0
69.07070	60.1
70.01322	6.8
70.01731	12.0
71.04990	13.9
73.02930	10.8
75.43147	3.3
78.13168	3.3
79.05495	10.0
81.03422	62.7
81.07064	32.2
83.04974	17.4
83.08617	9.6
85.02910	100.0
85.06547	25.6
87.00839	33.9
87.04472	5.5
91.05463	6.4
93.07034	14.6
95.08608	45.8
97.02909	37.0
97.06534	12.4
97.10172	11.5
99.04475	21.5
99.08103	36.3
105.01883	29.9
105.07027	8.3
107.08618	29.7
109.02883	65.3
109.06520	3.8
109.10173	16.0
111.11717	9.7
113.09644	12.3
117.01825	5.3
119.08622	4.0
121.10165	34.2
123.11708	8.1
125.09624	9.6
127.03921	94.8
129.01852	9.4
131.08563	3.8
135.11682	16.7
137.13263	17.7
139.11194	8.0
139.85330	3.5
145.04990	33.8
147.02895	5.9
149.13226	7.2
149.69875	3.8
153.12752	24.3
159.02907	30.8
177.16391	79.7
189.03996	4.2
195.17442	92.6
213.18512	65.3
219.93149	3.4
231.05037	22.4
339.51974	3.6
461.08524	4.6
461.23816	16.9
461.30731	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	461.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	12.8
54.69415	1.6
55.01863	6.8
55.05505	3.4
57.03446	14.4
61.02926	3.4
67.05519	8.5
68.99796	16.8
69.03432	43.5
69.07077	3.7
69.33087	11.3
71.01361	2.4
71.04979	7.0
73.02919	4.6
79.05475	5.1
81.03424	62.7
81.07033	4.7
82.69987	1.5
83.01313	1.7
83.04980	10.7
83.08577	1.6
85.02911	92.1
87.00829	23.5
91.05464	5.9
93.03405	1.6
93.07045	3.7
95.04984	6.8
95.08607	4.2
97.02895	22.1
97.06535	5.9
99.04469	21.2
103.03945	7.0
104.82797	1.6
105.01865	5.0
105.07037	6.6
107.04931	3.9
107.08601	2.5
109.02136	2.8
109.02890	50.7
109.06537	1.9
110.03654	2.1
111.00812	2.8
111.04433	7.9
113.02366	2.8
115.03974	1.6
119.08595	2.4
121.02906	1.8
121.72995	1.7
123.04414	7.2
125.02348	7.1
125.09574	1.5
127.03929	100.0
129.01831	3.6
131.08528	1.8
133.06490	2.2
133.10129	3.0
133.17732	1.8
135.04408	2.7
137.05952	2.5
139.03903	2.6
145.04973	4.2
147.02824	1.7
147.04437	2.3
151.03874	6.2
159.02922	1.9
161.06000	1.9
161.09636	2.8
162.86357	1.4
163.03926	4.9
165.05438	4.0
169.04977	3.3
171.02917	17.1
175.03908	2.7
187.06035	8.9
187.63652	1.7
189.03972	30.3
189.05475	3.4
191.03362	1.8
193.04999	3.0
195.02948	2.0
213.03908	14.0
216.26942	1.8
217.05013	2.3
231.05032	4.6
235.06023	6.4
238.76193	1.8
253.07054	5.5
255.05038	4.8
268.47571	1.6
271.08185	2.1
281.40262	2.4
289.87219	1.9
290.13177	1.6
293.20654	2.0
321.06085	3.9
339.07071	7.8
345.88074	1.6
357.08105	2.6
358.52594	1.7
386.59491	1.6
443.08157	4.7
453.88336	1.8
461.09506	2.4
461.29211	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	461.093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	11.9
55.01867	6.6
55.05504	4.4
57.03435	11.6
61.02913	3.4
61.55244	1.6
67.05504	4.4
68.99798	13.2
69.03090	2.9
69.03438	41.5
69.07045	1.8
69.48107	4.1
69.48521	8.9
71.01348	3.1
71.04988	7.1
73.02890	3.1
79.05464	3.8
81.03423	54.5
81.07059	5.4
83.01360	2.7
83.04971	6.7
85.02914	76.6
87.00829	20.9
91.05493	2.9
95.04958	5.7
95.08597	2.8
97.02907	24.4
97.06553	3.2
99.04466	20.8
103.03938	5.6
105.01860	5.2
105.07018	4.1
106.43540	2.1
107.05013	1.7
107.08614	2.6
109.02891	45.9
109.36420	1.6
110.89713	1.7
111.00783	3.3
111.04446	9.9
119.05002	2.1
122.06815	1.9
123.04434	6.8
125.02357	5.5
127.03928	100.0
129.01842	2.7
135.04456	2.7
135.11710	2.0
137.06041	2.3
139.47836	1.9
145.04936	4.1
147.04495	1.9
151.03908	8.2
161.05945	1.7
161.87308	1.7
163.03827	3.0
165.05472	2.2
169.04907	3.1
171.02917	17.0
187.06064	6.1
189.03979	27.5
189.05565	3.8
193.04939	4.3
207.06570	2.7
213.03941	10.2
217.04967	2.5
222.34836	2.1
231.05049	4.7
235.05984	4.5
252.20454	2.2
253.07016	5.5
255.05061	4.9
321.06027	2.4
339.07111	4.2
357.08057	1.9
383.05219	1.7
425.07147	3.6
429.57147	2.1
443.08127	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	461.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	12.9
55.01870	8.5
55.05501	5.1
57.03443	14.3
58.48186	1.3
61.02913	3.1
67.05490	6.6
68.99799	15.3
69.03435	47.0
69.07079	2.3
69.63054	7.4
71.01350	4.2
71.04999	7.4
73.02920	5.2
79.05495	5.2
81.03424	64.9
81.07068	3.2
83.01359	2.2
83.04975	7.5
84.31516	1.4
85.02911	88.4
85.73569	1.3
87.00837	26.4
89.49133	1.3
91.05470	4.9
93.07052	4.0
95.04979	7.1
95.08624	2.9
97.02902	25.2
97.06567	1.4
98.21579	2.5
99.04459	19.7
103.03956	7.0
105.01868	5.1
105.07014	3.1
107.04987	2.1
107.08588	2.0
109.02888	49.4
110.03680	1.5
111.00809	3.2
111.04455	12.3
111.18172	1.5
113.02386	3.1
115.03938	1.6
121.02895	2.5
123.04435	7.7
125.02374	6.8
127.03925	100.0
129.01848	3.1
129.06998	1.2
135.04430	3.2
137.02370	1.6
137.05969	3.0
139.03882	4.4
140.61922	1.4
141.05495	2.2
141.06593	4.2
145.04955	4.2
147.04366	2.0
149.02393	1.5
151.03912	9.3
153.01811	1.4
157.04980	1.4
161.06038	4.0
163.03912	6.3
165.05502	2.6
169.04968	3.3
171.02895	21.6
185.07440	4.1
187.06090	6.5
189.03967	28.3
189.05476	3.0
193.04961	5.0
195.02930	2.2
198.55862	1.6
207.06479	1.6
213.03955	11.1
215.05614	1.6
217.04962	3.2
227.12231	2.0
231.05008	5.4
235.06076	5.2
253.07091	4.5
255.05011	4.5
271.08167	2.0
273.06058	2.5
297.06085	1.4
321.06058	2.6
339.07144	7.3
354.12839	1.5
357.08234	2.4
365.58038	1.3
414.97513	1.3
425.07037	3.2
443.08032	4.0
461.09094	2.3
461.23108	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	460.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10398	0.6
55.05487	1.9
57.03441	6.1
57.07080	7.5
58.06600	37.3
59.04975	1.2
59.07083	0.6
59.07379	10.1
60.07895	1.0
60.08167	12.2
67.05499	7.4
69.03413	0.8
69.07072	3.8
71.04983	0.8
71.08640	5.7
73.02893	1.1
75.04483	3.2
79.05471	2.8
81.03397	1.1
81.07050	6.3
83.08594	1.7
85.02894	3.5
85.06527	0.8
85.10150	2.6
86.09680	2.3
86.43163	0.6
87.04482	4.2
91.05469	3.1
93.05509	0.8
93.07038	3.5
95.08603	5.5
97.06509	0.7
97.10159	1.3
98.98504	1.4
103.03935	1.0
105.05505	0.8
105.07062	3.2
107.08578	2.0
109.10150	4.8
113.05990	0.7
117.07002	1.2
119.08545	1.8
121.10101	1.9
123.11710	0.7
124.99956	0.9
129.06932	0.8
131.07002	2.0
131.08574	2.0
133.10146	2.1
135.11662	1.1
135.76683	0.6
143.08530	0.8
144.10196	8.4
145.10101	0.9
147.06807	0.7
159.11711	0.9
162.11229	1.5
171.11702	1.0
184.07404	3.6
200.12764	0.7
218.13995	0.8
236.14926	90.3
237.15198	1.2
249.81844	0.6
256.57709	0.7
270.22919	1.3
273.13770	0.8
283.06253	0.9
288.24054	1.1
299.25842	1.9
355.28256	0.8
369.27924	0.8
398.36276	0.8
428.79080	1.2
442.35281	29.1
460.36340	100.0
461.32361	2.4
461.37430	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.4
55.01867	0.3
57.03442	0.5
59.04985	0.3
60.53624	0.2
61.02928	0.7
63.02370	0.4
69.03439	1.4
69.86395	1.5
73.02934	0.4
81.03413	0.8
85.02906	5.8
87.04465	0.9
89.03913	3.6
89.06023	1.2
97.02921	1.8
97.06554	0.4
99.04456	0.3
102.92201	0.3
106.04165	0.4
109.02904	0.6
117.03384	13.5
119.04965	0.4
127.03916	1.0
133.08534	0.4
134.03644	0.6
135.04424	0.7
137.06032	0.4
137.63362	0.3
145.02852	35.0
145.04919	1.2
146.03133	0.5
149.05978	5.0
163.03889	0.6
177.05475	100.0
178.05794	0.9
180.08716	0.4
180.86800	0.3
186.05522	0.4
195.06523	1.0
236.15005	0.7
346.75885	0.3
442.24619	0.3
460.19247	0.3
460.25137	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08960	1.3
55.01862	2.3
55.05512	3.4
57.03437	1.5
67.05501	7.0
69.03431	3.6
69.07063	6.5
69.48727	3.1
69.49129	7.0
69.88933	1.4
70.06596	3.8
71.04995	4.2
71.49361	1.6
79.05499	9.0
81.03419	3.6
81.07052	19.8
83.08621	2.2
85.02914	7.8
85.06553	6.1
91.05488	13.4
93.07045	23.2
95.08619	23.0
97.02886	2.4
97.06543	14.5
98.06064	2.3
99.08110	2.4
105.07036	33.6
107.08599	23.4
109.06548	2.1
109.10113	7.3
111.08076	15.0
117.07013	2.9
117.19506	1.7
119.08595	35.5
121.10156	18.5
123.08031	2.7
123.11678	3.5
123.87428	1.6
125.09637	3.5
127.03918	1.6
129.06999	5.3
131.08551	14.2
133.10139	12.2
135.11693	17.1
137.05940	8.5
137.09595	3.1
143.08592	11.4
144.09311	2.1
145.10141	34.1
146.03430	1.8
147.06808	2.4
147.10515	3.2
147.11699	59.9
149.09673	1.9
149.13217	1.5
153.12741	6.3
157.10126	10.5
159.11702	30.1
161.05998	5.9
161.13254	7.5
163.11217	4.7
165.06938	1.7
165.12772	12.3
171.11668	14.6
171.13892	1.6
173.13281	4.2
175.14783	4.4
185.13271	25.9
187.14835	30.9
189.12732	5.0
199.14798	11.6
201.16405	13.6
203.14267	3.3
205.15907	4.1
207.13837	5.2
215.17975	8.3
225.09160	3.1
227.17963	51.3
233.08032	2.4
233.19054	4.4
237.09071	4.0
245.19028	100.0
246.19450	2.9
250.06401	2.1
253.08672	4.4
262.06680	2.0
263.20081	35.9
265.08694	12.0
281.08124	5.3
281.21136	30.4
297.11163	3.6
298.14417	3.0
324.09885	1.9
325.10608	12.2
326.13837	4.2
341.10297	13.1
356.12576	17.9
357.13202	5.0
416.24338	17.4
460.26746	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	460.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.8
55.01873	8.3
57.03439	4.7
59.04987	4.2
61.02919	4.5
62.11667	1.6
69.03441	23.8
70.06596	7.4
71.04996	4.2
73.02914	7.0
81.03426	26.8
84.79717	1.7
85.02914	61.3
86.09716	1.9
87.00831	25.8
89.03916	4.1
89.06042	9.0
91.03921	1.6
91.05495	2.7
97.02888	21.6
97.06580	2.6
99.04469	12.3
105.01869	21.7
109.02884	25.1
117.01952	4.1
117.03404	14.0
127.03932	39.7
134.03638	2.0
135.04439	2.6
137.06001	3.3
145.01778	3.1
145.02867	41.5
145.04953	19.9
147.02956	3.4
147.04477	2.8
147.10197	3.3
149.05986	5.5
159.02939	13.6
163.03914	3.3
166.07269	9.8
176.10770	2.0
177.05487	100.0
178.05922	2.6
189.03951	2.1
195.06564	19.5
202.55602	2.0
207.29948	1.6
213.03966	2.3
219.06465	2.6
231.05049	8.0
269.08249	1.8
281.19635	6.2
285.07416	2.6
296.06281	3.3
398.16080	3.4
416.19772	2.1
425.10596	2.4
460.19019	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	460.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71282	0.7
53.03937	1.0
61.01128	1.0
68.12338	0.6
69.03424	2.0
70.06593	1.5
71.05971	0.8
71.06311	0.8
72.08161	0.7
81.03417	1.8
85.02901	4.4
86.09683	1.6
87.00836	1.8
87.04444	0.8
89.03920	1.0
91.05486	1.1
97.02895	2.6
99.04440	1.3
103.03944	1.3
105.01848	1.7
109.02866	1.9
117.03366	2.2
119.04976	0.9
122.03678	1.2
122.06011	2.1
127.03932	4.4
135.04459	0.9
136.06149	1.7
137.06010	7.5
145.02852	3.5
145.04915	1.0
147.04465	1.3
148.04004	2.2
149.06071	0.9
150.05507	4.9
151.03923	1.3
152.06203	2.2
153.07016	4.0
162.05536	1.9
163.04030	1.7
165.06995	6.3
167.08553	0.8
177.05489	6.9
177.06929	1.2
181.06494	11.5
182.07269	1.9
184.05240	0.8
187.07521	1.1
190.04971	1.9
191.04926	1.0
191.07309	1.2
192.05727	1.1
192.08052	2.0
193.06493	4.2
194.07285	0.9
195.06509	1.9
195.08105	3.3
197.05931	1.0
198.06775	3.2
199.07487	1.0
202.04973	0.9
205.06523	0.7
208.05136	1.8
209.06023	6.7
209.08115	1.5
210.06778	5.4
211.07567	0.9
213.09120	1.8
220.05273	2.5
220.07620	5.2
221.06082	4.0
223.07588	2.6
225.09097	2.3
226.04141	1.3
226.06274	21.6
226.08513	1.1
227.07059	3.8
229.92477	0.7
235.07556	3.0
236.04689	2.6
236.06992	1.5
237.05446	5.7
237.07895	2.3
238.06264	3.2
241.08647	13.6
248.04712	1.4
248.06987	4.8
249.05554	1.8
249.07935	0.8
251.07097	4.6
252.10161	2.5
253.05153	0.8
253.08607	5.9
254.05763	19.5
254.08379	1.4
255.06519	1.7
263.07019	3.0
264.04199	0.8
265.07452	3.1
266.05511	0.9
266.08151	1.8
269.08102	100.0
270.08530	1.8
270.11176	1.3
272.73822	0.9
279.06628	5.2
280.09735	7.1
281.08115	8.0
282.05194	0.8
282.07831	0.9
283.08615	1.3
297.07578	32.5
298.07950	1.0
298.10828	7.8
308.09137	5.4
309.07565	4.3
326.10236	15.5
358.64554	0.8
362.87698	0.7
460.11844	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3838
Annotation	3alpha,20-Dihydroxy-3beta,25-epoxylupane
Peak:m/z	Relative Intensity
50.86249	1.0
55.01879	1.3
55.05512	6.2
57.07063	4.1
59.04970	0.9
64.72816	0.9
67.05180	1.1
67.05505	9.1
69.07072	12.8
70.06968	0.8
71.49545	1.6
79.05495	5.6
81.06606	1.1
81.07067	20.8
83.04984	1.1
83.08615	8.5
85.06518	2.8
86.09716	11.2
91.05489	9.1
93.07044	17.8
93.68932	0.7
94.56976	0.9
95.04949	1.3
95.08613	36.1
96.08913	1.5
97.06522	2.5
97.10159	4.2
98.77889	0.9
99.08063	1.4
105.07032	7.9
107.08603	22.6
108.08138	1.9
108.08855	1.0
109.06517	14.6
109.10168	21.4
111.08106	1.9
117.07021	1.6
119.08578	9.0
120.08120	2.3
121.10158	22.3
123.08083	2.0
123.11712	9.0
125.09715	1.4
127.11189	2.3
131.08533	2.7
133.10114	8.7
135.08029	1.7
135.11699	21.4
137.13249	6.8
139.11160	2.6
143.08583	1.4
145.10123	4.2
147.11703	7.6
149.09586	0.9
149.13268	19.1
151.11250	1.2
157.10118	3.0
159.11673	5.1
161.13298	4.7
163.11174	1.2
163.14824	4.0
165.12737	3.3
167.14391	1.2
171.11674	2.2
173.13239	2.4
175.11176	1.2
175.14851	4.8
177.16432	5.4
183.11697	1.2
185.13231	2.8
187.14865	2.2
189.16379	2.5
191.17961	100.0
192.18298	2.2
193.15932	4.1
195.17278	1.3
199.14761	1.2
201.16393	1.7
203.17934	3.0
205.15887	1.4
205.19580	2.2
207.17461	1.4
213.16298	1.3
215.17978	2.4
217.19504	3.0
223.16985	1.5
227.17999	2.6
229.19490	2.6
231.17433	1.5
231.21024	1.4
249.18535	5.7
253.19487	1.1
255.09061	0.9
277.21497	1.1
281.22690	1.0
283.24213	13.5
285.25848	1.1
328.15125	0.9
423.36304	10.1
441.37476	19.8
459.21472	3.3
459.35464	2.9
460.21899	1.3
463.95950	0.9
471.75775	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3834
Annotation	12,13beta-epoxy-16beta-hydroxy-beta-amyrin
Peak:m/z	Relative Intensity
55.05513	15.4
57.07088	2.7
66.33843	1.3
67.05495	5.1
69.07086	8.6
71.49464	1.8
79.05486	2.6
81.07068	12.3
83.08150	2.3
83.08620	31.7
91.05473	2.5
93.07027	7.2
95.08607	15.7
102.87384	1.2
105.07007	5.2
107.08579	7.6
109.06477	1.9
109.10162	11.2
119.08569	6.0
121.10155	6.5
121.10940	1.2
123.08025	2.8
123.11705	4.9
127.11199	100.0
131.08566	1.6
133.10118	3.0
135.11685	3.7
137.13246	3.8
143.08588	1.8
147.11693	3.8
149.13243	5.1
159.11736	2.2
161.13211	2.1
163.14819	3.9
171.11723	2.1
173.13242	2.8
175.14830	2.7
187.14752	2.2
191.17953	10.6
202.49138	1.3
205.19548	2.3
215.65575	1.3
217.19543	1.9
249.18207	1.5
352.86353	1.8
363.30560	2.2
423.36166	4.6
441.37558	21.0
442.37320	1.7
459.21603	2.2
459.31989	3.1
459.38229	4.0
470.24008	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3834
Annotation	Elenic acid
Peak:m/z	Relative Intensity
54.48200	5.3
55.05509	15.1
57.07080	7.0
58.30765	6.5
67.05507	30.4
67.38055	5.8
69.07066	30.5
71.27149	6.9
79.05492	12.6
81.07055	59.5
83.08617	12.8
91.05456	10.1
93.07030	31.7
94.19690	6.3
95.08607	100.0
105.07012	14.1
105.16910	5.6
107.08598	50.9
109.10148	68.2
121.10143	43.4
123.11717	32.5
126.70170	5.7
133.10155	16.1
135.11716	32.2
137.13261	43.6
147.11703	8.2
149.13275	42.7
161.13281	11.8
163.14835	34.0
175.14848	18.4
189.16415	8.0
205.19571	20.4
208.07101	6.2
219.21063	24.1
221.15327	50.5
235.16956	7.2
272.62704	6.0
425.10367	6.4
441.37329	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3835
Annotation	Salvinemorol
Peak:m/z	Relative Intensity
53.12331	2.1
55.05515	13.5
57.07066	8.3
59.05001	2.3
67.05508	20.9
69.03406	2.7
69.07076	21.0
69.22180	1.9
69.22486	21.4
70.03352	2.3
71.04994	2.6
71.08648	3.4
73.50497	2.2
79.05486	16.2
81.06595	4.1
81.07059	55.3
81.28274	2.1
83.04995	3.1
83.08620	15.4
91.05470	14.8
93.05504	2.4
93.06491	4.2
93.07046	49.6
93.07627	2.4
95.04991	2.5
95.08613	100.0
97.06525	6.0
97.10172	6.6
97.12894	2.0
99.08115	3.3
105.07038	24.1
107.08602	80.9
109.06519	7.8
109.10162	48.5
111.08070	7.4
111.11713	3.8
113.00011	4.3
117.06978	4.5
119.08595	25.1
121.10149	68.6
123.08099	3.6
123.11716	21.0
131.08569	7.3
133.10139	29.5
135.08134	3.1
135.11700	25.9
137.13257	25.6
139.11200	5.6
143.08575	6.0
145.10126	15.5
147.11697	22.9
149.09633	5.9
149.13269	90.6
151.14845	2.5
152.69395	2.8
157.10149	5.4
159.11708	13.5
161.13263	11.4
163.07616	2.5
163.11208	5.1
163.14825	13.1
167.10693	2.5
167.14340	2.6
169.02597	3.9
171.11691	5.7
173.13242	7.3
175.14830	7.9
177.16400	29.6
179.17940	2.0
185.13307	3.9
185.58345	2.4
187.14838	23.7
189.16402	4.2
191.17961	9.0
193.15990	2.8
195.17468	4.8
201.16373	11.7
203.14409	2.5
203.17987	30.6
205.15913	16.8
205.19563	2.3
213.16388	7.5
215.18047	5.2
217.19487	4.2
221.19031	2.5
223.16948	59.6
227.17984	8.2
229.19470	3.0
231.20985	2.2
233.18974	4.1
236.29594	2.3
241.19571	3.4
249.18643	3.0
251.20154	4.5
253.19484	3.2
267.19498	3.7
281.22693	5.3
283.24277	10.8
317.24884	2.4
344.43921	2.4
405.34985	7.8
413.34152	6.0
423.36502	31.8
441.37631	47.4
459.34708	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3836
Annotation	Spirosupinanonediol
Peak:m/z	Relative Intensity
53.03937	2.0
53.24726	1.0
55.05513	15.9
57.07080	7.7
65.03942	1.2
67.05506	24.6
69.07070	33.6
71.04990	13.6
71.08617	1.3
71.49601	1.1
73.06559	1.2
79.05490	14.7
81.07057	69.8
83.04996	2.7
83.08624	15.7
85.06539	4.1
89.06026	1.7
91.05483	9.7
93.06485	1.8
93.07047	31.2
93.07631	1.7
94.07365	1.3
95.04953	2.1
95.08608	100.0
96.08928	2.4
97.06533	10.0
97.10178	6.6
99.04463	1.6
99.08109	4.9
101.06037	2.2
105.04564	1.2
105.07030	14.7
107.08591	43.2
107.09312	2.4
108.08949	1.3
109.06502	7.9
109.10159	52.0
111.08073	3.9
111.11720	2.9
113.09624	1.5
115.07554	2.6
117.06995	1.8
119.08585	18.7
120.08090	1.7
121.06507	2.1
121.10146	31.3
123.08067	4.4
123.11707	39.6
124.11896	1.2
125.09640	2.8
125.13280	2.1
127.07542	3.3
127.11192	13.8
129.07025	1.3
129.09093	1.1
131.08563	4.9
133.10127	16.7
135.08034	3.3
135.10703	1.8
135.11699	26.4
137.09708	4.8
137.12192	1.5
137.13255	22.8
141.09109	2.3
141.12746	2.3
143.08566	2.0
143.10677	2.3
145.10124	9.9
147.11699	12.7
149.09601	2.8
149.13264	24.1
149.14377	0.9
151.11171	4.0
151.14818	4.6
153.12726	5.8
155.10641	2.5
157.10098	5.5
159.11737	10.7
161.09669	1.1
161.13258	10.5
163.11186	4.5
163.14813	28.6
165.12715	2.5
167.07002	2.7
167.10689	1.3
167.14352	1.3
171.11710	4.0
173.13286	6.9
175.11172	1.6
175.14832	8.9
177.12711	3.8
177.16396	10.0
179.14284	2.5
181.12268	3.0
181.15897	1.2
183.11765	1.5
183.13715	1.4
185.13280	3.0
187.14836	4.2
189.12814	1.4
189.16435	5.6
191.14285	1.8
191.17952	16.0
192.18320	2.1
192.34743	1.0
193.16000	1.1
195.13831	3.9
197.13226	1.1
199.14832	3.2
201.16348	5.0
203.17886	3.5
205.19460	6.8
211.14844	1.2
213.16411	3.9
215.17984	2.6
217.15913	1.1
217.19507	4.3
219.17442	2.5
223.16927	2.0
225.16362	1.0
227.17986	2.1
229.19518	1.7
231.21024	1.6
235.16872	1.4
237.18329	1.1
245.18944	2.0
249.18414	5.4
257.22626	1.8
263.20059	3.0
269.22675	1.4
273.22095	2.5
275.23648	2.3
277.21628	1.8
280.83453	1.1
282.89862	1.0
283.24136	1.2
287.23663	1.2
291.23111	4.4
293.24692	1.4
295.22446	1.2
299.23874	2.3
299.27106	1.7
305.24707	2.7
309.24225	3.7
313.25031	1.6
317.24774	8.1
317.28369	3.2
319.26428	2.7
331.26511	1.5
331.29919	8.5
335.25595	4.7
345.27774	1.2
349.27255	1.2
355.26031	1.2
359.29272	2.0
363.29236	1.0
373.27249	4.7
423.36188	10.5
441.37335	35.2
459.32547	1.6
459.38495	29.0
460.39114	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3833
Annotation	Spirosupinanonediol
Peak:m/z	Relative Intensity
53.03940	2.1
55.05511	20.6
57.07072	8.8
64.32767	1.3
65.03921	1.8
67.05505	23.8
69.03442	2.4
69.07072	32.2
69.46770	5.5
69.47176	4.1
71.04995	1.4
71.08623	1.7
79.05490	13.5
81.07059	56.3
81.07537	3.2
83.04993	4.0
83.08620	40.3
85.06554	4.9
91.05476	10.8
93.07050	34.1
95.04979	1.9
95.08608	83.5
97.06551	4.5
97.10197	7.3
99.08090	10.6
105.07035	22.9
107.08599	46.8
109.06522	7.8
109.10162	67.5
111.08106	10.0
111.11749	1.9
113.09656	1.6
119.08582	30.7
121.10149	45.5
123.08087	5.8
123.11712	24.0
125.09647	4.6
131.08560	5.8
133.10135	28.5
135.08099	2.0
135.11700	39.4
137.09628	4.6
137.13251	16.8
139.11183	4.4
139.14818	3.7
143.08586	1.5
145.10114	8.1
147.11699	27.8
149.13258	31.6
151.11200	5.4
151.14818	5.2
157.10159	3.6
159.11668	12.0
161.09656	2.0
161.13297	15.5
163.11179	2.6
163.14815	9.3
165.12773	20.4
165.16396	7.0
167.14320	13.2
171.11713	4.8
173.13300	12.3
175.11209	2.1
175.14825	21.0
177.12762	1.8
177.16402	12.0
183.13916	1.7
185.13348	1.8
185.68044	1.4
187.14796	6.9
189.16399	8.2
191.17949	83.5
192.18398	1.7
193.15895	18.3
197.13303	1.7
199.14771	1.6
201.16542	2.1
203.14410	2.0
203.17931	8.6
205.19469	7.7
211.16943	48.9
213.16420	5.4
215.17972	5.3
217.19510	15.0
221.15405	4.3
229.19542	12.3
231.17487	9.0
231.21027	12.0
239.16518	2.1
247.20583	18.9
249.18501	16.2
257.22672	4.2
267.19397	6.7
269.22769	1.6
276.67279	1.4
285.25787	5.2
295.22653	4.9
302.26193	1.5
317.24878	1.5
345.27817	1.8
371.29459	8.1
405.35162	2.9
423.36093	5.7
441.37305	100.0
442.37570	3.3
459.22296	3.4
459.32434	11.3
459.38376	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	459.3834
Annotation	Spirosupinanonediol
Peak:m/z	Relative Intensity
53.03941	1.7
55.05514	11.1
57.07076	9.6
67.05508	23.9
69.07075	26.6
69.76590	1.4
71.08623	2.1
71.26915	2.2
71.27223	2.1
79.05490	11.2
81.07060	64.8
83.08619	12.3
85.06540	3.8
91.05478	6.0
93.07047	23.1
95.08611	100.0
97.10175	5.5
105.07029	20.8
107.08601	39.8
109.10163	44.2
111.08082	2.1
111.11709	2.9
119.08585	17.9
121.10152	35.0
123.11703	34.3
125.09601	1.9
131.08585	2.9
133.10127	17.2
135.11707	28.3
137.13258	45.3
145.10158	5.3
147.11687	12.9
149.13263	28.1
151.14835	5.7
159.11707	3.9
161.13255	11.1
163.14803	15.3
165.16389	2.2
171.11755	1.7
173.13246	4.4
175.14781	8.9
177.16386	10.6
187.14775	3.4
189.16406	7.2
191.17934	6.0
201.16359	2.7
203.18034	4.5
205.19501	12.4
209.15274	2.3
215.17851	2.9
217.15935	1.8
217.19542	5.3
219.17441	2.1
219.21034	3.7
221.15483	2.1
223.16977	2.5
231.21178	8.2
233.22760	2.3
235.16928	2.5
251.19971	2.7
263.20221	2.7
277.21591	2.9
294.30969	1.6
302.91309	2.0
305.24850	2.0
351.53601	1.6
395.36612	4.4
405.35349	2.0
413.37848	7.0
415.35901	3.5
423.36349	11.8
436.56415	1.8
441.37363	18.7
459.38440	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3469
Annotation	Topsentisterol C1
Peak:m/z	Relative Intensity
55.05507	13.3
57.07068	7.8
65.62749	3.8
67.05508	28.4
67.23292	3.8
69.06731	5.7
69.07076	75.8
70.26859	10.7
71.05006	4.9
73.06562	9.8
79.05488	12.5
79.36333	3.1
81.07061	67.8
83.04976	5.6
83.08615	15.1
91.05486	13.6
93.07056	31.1
95.08615	100.0
97.06538	34.0
97.10188	9.6
99.08095	3.8
105.07036	28.9
107.04964	32.0
107.08608	33.2
109.06528	6.3
109.10159	39.5
111.11710	6.5
113.06092	3.5
115.07571	64.0
117.07021	4.1
119.08591	28.0
120.95635	3.3
121.06528	19.8
121.10159	23.8
123.08059	5.8
123.11723	30.4
131.08604	10.2
133.06465	6.2
133.10123	21.8
134.22343	3.2
135.08046	9.2
135.11679	22.2
137.09624	5.4
137.13255	39.4
143.08543	5.7
145.10187	13.2
146.62677	4.0
147.08076	4.3
147.11699	15.1
149.09633	4.8
149.13266	17.1
151.14838	9.5
152.00360	3.2
155.98665	3.0
156.09303	3.6
157.10152	10.6
159.11702	17.8
161.09674	7.4
161.13264	9.6
163.07507	5.1
163.11163	7.2
163.14801	12.2
165.09088	4.0
169.10115	5.0
171.11716	25.2
173.09645	5.2
173.13239	25.4
175.11234	9.2
175.14819	3.4
177.16495	4.1
179.10597	4.3
185.13261	7.3
187.14787	6.1
189.12709	16.9
189.16496	7.6
191.14304	7.8
191.18013	19.1
199.14841	3.6
201.16504	7.2
203.14313	5.9
203.18004	14.6
207.21107	9.1
213.16328	4.2
216.48122	3.2
219.13809	11.7
225.16393	7.3
229.15910	4.9
237.14845	8.8
249.18384	3.8
259.24228	6.3
271.17035	3.8
327.26736	25.9
362.33942	3.9
387.15942	5.4
395.33173	7.0
403.19070	8.7
405.31760	4.9
413.33975	4.1
415.15311	3.7
423.32413	19.3
430.17755	3.8
431.18698	6.1
441.33563	50.3
459.18033	34.9
459.22552	14.0
459.35327	26.8
460.18628	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	459.3471
Annotation	Platanic acid
Peak:m/z	Relative Intensity
53.03935	3.0
55.05516	13.0
55.05734	2.5
57.03410	2.9
57.07061	10.9
61.02952	2.3
67.05499	26.0
69.03414	3.5
69.07074	27.3
71.04982	7.3
71.08614	2.9
79.05504	27.2
81.03411	3.9
81.06592	4.7
81.07063	70.9
83.05000	4.0
83.08621	9.9
85.06551	12.5
91.05482	20.1
93.07061	35.0
95.04960	6.4
95.08617	79.5
97.06525	8.6
97.10164	6.1
99.04460	2.7
99.08080	5.1
105.07031	35.8
107.08601	42.3
109.02879	2.2
109.06489	5.4
109.10158	48.2
111.08073	3.1
111.11749	3.6
117.07002	8.9
119.08576	28.4
121.06542	4.7
121.10152	37.3
123.08057	2.9
123.11718	33.8
129.06978	4.2
131.08611	16.7
131.54823	2.5
133.10126	24.2
134.06274	2.8
135.08041	3.7
135.11713	27.8
137.13277	33.1
137.19348	2.6
143.08557	10.0
145.10159	16.1
147.08075	3.1
147.11688	16.9
149.09587	5.2
149.13264	25.2
151.14819	7.7
153.09030	3.4
157.10110	8.4
159.11711	14.9
161.13232	12.5
163.14868	14.7
169.10109	3.1
171.11678	5.4
173.08096	3.5
173.13260	12.0
175.14833	10.9
177.16356	7.8
181.10130	3.0
185.13289	7.1
187.14830	7.6
189.12737	3.0
189.16396	5.9
191.10727	4.0
191.14381	4.8
191.17935	9.5
195.11827	2.9
197.13281	5.3
199.14833	6.5
201.16385	10.4
203.14409	2.6
203.17960	8.8
205.15924	2.8
205.19536	6.7
207.13707	3.1
211.14664	3.4
213.16296	4.3
215.17975	3.5
217.19554	7.2
227.18036	4.1
229.19576	4.6
243.21030	3.2
259.20660	3.8
269.22467	3.0
271.24207	4.7
273.25806	21.1
287.23734	4.2
297.25574	2.9
299.05740	2.8
315.26733	5.4
356.46213	2.5
377.31851	2.9
395.33347	12.8
397.30988	3.4
399.32507	3.1
413.34271	15.7
423.32373	14.1
441.33725	100.0
459.35229	42.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.6
55.01877	25.6
55.05319	1.0
55.05520	10.4
57.03442	2.6
57.07069	3.7
58.06605	2.6
65.03932	2.6
67.04925	1.1
67.05510	26.6
69.03434	3.4
69.07076	12.1
71.04981	2.8
71.08624	2.0
71.49182	1.4
73.02929	1.1
75.04482	1.1
79.05500	30.4
81.03418	2.4
81.07062	26.6
83.04987	1.8
83.08627	6.5
85.06606	1.3
85.10172	1.3
89.06023	3.1
91.05489	17.9
93.07049	31.7
95.04977	3.7
95.08612	22.3
97.02908	1.2
97.06539	100.0
97.10166	2.3
105.04514	1.4
105.06430	1.1
105.07056	13.7
107.08609	19.2
109.10168	11.6
117.07015	4.2
119.08598	11.4
121.06523	3.1
121.10159	16.3
123.08088	2.7
123.11700	3.1
125.06002	24.4
125.06873	2.0
125.09680	1.5
129.06976	2.5
131.08591	7.9
133.08583	2.9
133.10138	7.9
135.11713	8.7
136.45425	1.2
137.13231	1.7
141.07100	1.8
143.08633	1.8
145.10127	6.1
147.11700	6.9
149.09692	1.4
149.13293	4.4
151.07564	13.8
153.12755	1.1
155.08530	2.1
157.10204	3.5
159.11737	5.5
161.13275	3.6
163.11252	1.8
163.14835	2.0
169.10158	1.9
171.11745	3.1
173.13260	4.0
175.11238	1.7
175.14828	1.2
185.13292	1.3
187.14873	3.3
189.12769	1.4
189.16580	1.7
191.10699	4.3
192.53999	1.1
195.11714	1.3
197.13295	1.2
199.14847	2.5
201.16310	1.7
203.17938	1.1
211.14978	1.9
213.12804	1.1
235.17189	1.2
309.22400	3.1
315.23361	2.2
316.18491	1.8
317.18774	1.6
349.25363	1.5
367.26389	6.0
389.26892	19.1
423.33154	1.6
436.80719	5.8
437.30811	1.5
441.34378	1.8
458.82370	1.7
459.31012	49.8
460.31558	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	4.7
55.01881	11.8
55.05513	58.0
56.75351	1.6
57.03434	4.9
67.05505	52.0
69.03417	8.0
69.07068	14.8
71.05012	2.8
71.49281	2.8
78.17867	1.9
79.05495	53.5
81.03413	5.8
81.07053	42.1
83.04980	6.8
83.08616	28.4
85.06560	2.6
91.05483	50.1
93.07044	27.1
95.04945	4.7
95.08613	17.5
97.06547	2.9
97.10165	49.7
103.05470	25.1
105.03423	4.7
105.07042	36.5
107.04969	8.4
107.08598	28.7
109.06515	4.3
109.10160	8.8
111.08103	3.3
115.05473	14.3
117.07019	56.5
119.04956	1.9
119.08577	19.9
121.06509	4.3
121.10155	6.2
123.08085	2.6
125.09628	47.4
128.06245	7.2
129.07011	27.0
131.04974	5.3
131.08563	40.9
133.06519	10.4
133.10141	7.4
135.08060	12.5
137.05966	2.2
137.09663	2.4
141.07022	14.0
143.08569	17.8
143.10669	2.4
145.06490	16.5
145.10141	14.1
147.08038	4.6
147.11705	3.6
149.09622	6.3
153.07031	3.9
153.09088	4.7
154.07755	3.1
155.08543	16.0
156.09341	2.8
157.06561	4.7
157.10132	7.1
159.08131	6.9
159.11713	7.4
163.07547	2.3
165.07002	2.8
167.08571	6.6
169.06583	2.2
169.10107	10.5
171.08038	5.2
171.10242	4.2
171.11717	7.4
173.09686	3.0
173.13293	6.0
175.11188	2.5
181.10109	4.0
183.08099	2.5
183.11690	5.7
185.09593	4.6
185.13274	4.3
187.11273	3.6
187.14816	16.9
189.11201	24.4
189.12743	2.6
195.11731	4.0
197.13243	20.8
199.11304	2.4
199.14845	2.3
209.13271	3.3
213.12788	7.9
215.14314	100.0
221.13376	2.6
223.11246	2.4
227.12766	32.0
233.15359	3.0
235.14896	2.5
241.12244	6.0
255.13857	3.1
257.15515	2.6
265.15976	2.3
269.15347	3.1
271.16895	7.0
315.15836	2.4
321.22137	3.2
339.23441	5.3
349.21625	12.4
357.24319	2.6
367.22696	40.9
385.23697	18.1
403.25052	6.5
441.20135	2.9
441.26358	59.3
442.27051	3.8
459.27463	77.8
459.33749	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	459.2507
Annotation	[(1R)-1-(hydroxymethyl)-2-phosphonooxy-ethyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
Peak:m/z	Relative Intensity
53.03942	4.7
55.01868	8.3
55.05512	18.4
57.03444	10.6
57.07082	11.7
58.06582	5.8
59.07353	3.0
65.03928	3.8
67.05185	2.6
67.05508	43.8
69.03413	5.4
69.07076	17.4
70.06091	5.6
70.06508	5.1
71.04996	4.5
71.08630	3.8
73.02927	2.5
75.04454	3.1
79.05077	3.0
79.05495	34.5
79.65106	1.9
81.03413	9.3
81.07060	48.7
83.04990	5.4
83.08615	8.7
85.02908	3.4
85.06532	8.3
85.10221	4.1
87.04453	3.4
89.06015	5.5
91.05486	64.2
93.07051	46.9
95.04958	5.9
95.08619	34.9
97.02882	4.8
97.06525	6.0
97.10166	3.7
98.21609	2.3
98.98472	80.3
99.04465	2.0
99.08102	3.5
105.07037	50.9
107.08598	28.0
109.06494	2.9
109.10148	18.3
111.08079	3.1
111.11745	2.7
115.05412	3.3
116.06211	2.5
116.18924	1.9
117.07024	11.9
119.08588	50.9
121.06503	3.5
121.10155	28.4
123.08067	3.5
123.11709	6.7
125.09633	5.4
127.03902	3.1
128.06252	3.5
129.05460	8.9
129.06984	16.0
130.07838	2.0
131.08574	28.5
133.08591	3.2
133.10141	40.3
135.08051	5.9
135.11676	14.6
137.09616	2.9
137.13255	2.8
143.08548	14.7
145.10146	26.6
145.78571	1.9
147.08069	5.8
147.11684	20.1
149.09613	5.3
149.13295	5.1
151.07558	14.5
151.11174	2.9
153.12770	2.5
155.01106	3.1
155.08597	3.4
157.10135	18.9
159.08046	2.1
159.11674	13.6
161.09584	4.3
161.13232	13.0
163.11153	4.3
163.14871	3.3
167.08464	1.9
169.10092	2.9
171.11694	19.7
173.02132	18.3
173.09685	2.7
173.13271	11.0
175.11191	4.5
175.14830	24.4
177.12804	3.9
177.16347	4.8
183.11690	2.9
185.09738	2.1
185.13264	20.6
187.14790	7.4
189.12737	6.4
189.16382	27.9
191.10655	11.1
191.14262	3.2
191.17978	4.7
197.13307	3.2
199.14836	8.5
201.16415	7.9
203.14384	3.4
203.17972	31.0
211.14838	2.3
213.16377	5.8
215.17928	2.2
227.12744	4.8
231.17543	2.2
236.14948	6.1
241.14403	3.5
243.21071	6.5
245.22641	12.8
259.20551	4.7
259.24207	13.3
269.22662	57.0
270.22867	2.0
271.24075	2.5
287.23697	100.0
317.19165	4.2
317.69263	2.1
336.42810	2.1
352.56952	2.1
361.27362	50.1
428.29565	2.4
436.80692	15.0
437.30811	3.1
441.24146	4.2
441.33923	5.2
458.82077	6.5
459.23920	3.5
459.30887	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82189	1.8
53.03946	8.7
54.30091	1.5
55.01859	4.2
55.05517	16.4
57.03430	3.3
65.03929	3.4
67.05510	52.7
69.03414	3.6
69.07073	10.5
70.39276	3.5
71.05013	2.8
71.55352	1.6
77.81321	1.8
79.05498	52.6
81.03426	15.4
81.07059	36.5
83.04978	13.7
83.08599	6.9
85.06535	3.4
91.05487	100.0
93.07055	37.0
95.04982	17.4
95.08181	1.5
95.08614	17.9
97.02879	3.3
97.06532	9.2
97.10161	5.0
98.21371	2.6
101.06020	2.2
103.05450	2.1
105.07034	47.4
107.04968	9.0
107.08089	1.5
107.08599	14.2
107.39540	1.7
109.06512	7.3
109.10143	6.2
115.05489	3.3
116.41743	1.6
117.07007	13.4
117.40439	1.7
119.08608	21.8
121.06493	2.8
121.10139	3.7
123.08052	5.4
125.09734	1.9
128.06194	4.8
129.06989	8.7
131.08560	7.2
133.10138	46.1
135.08032	4.7
135.11749	3.0
137.05959	5.0
137.09587	3.3
141.07025	1.9
143.08559	8.7
145.10078	7.1
147.08044	3.5
147.11703	17.5
149.09592	7.0
151.11186	8.2
155.08560	2.5
157.10123	5.7
159.11674	3.5
161.09636	15.9
161.13254	7.9
163.03922	2.0
163.14772	1.6
171.11703	13.8
179.10666	9.6
184.07315	2.2
187.11201	2.1
189.12735	6.8
197.11673	3.6
197.13344	2.3
207.13750	11.3
215.14394	3.8
227.12811	1.9
237.12193	1.8
269.98148	1.8
279.23026	2.7
281.17368	10.4
309.16721	2.3
336.37573	1.9
349.21667	2.0
367.22580	2.9
389.23456	2.3
441.26105	3.6
459.27274	49.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.7
54.35999	1.1
55.05278	1.5
55.05515	22.2
57.03423	2.9
57.07055	1.5
57.13951	1.1
59.04993	2.0
59.99106	3.3
61.02917	3.8
61.67808	1.1
67.05499	9.9
69.03432	23.2
69.07071	6.6
69.87016	5.5
71.04971	3.6
72.08144	4.4
73.02927	2.2
73.06557	56.7
79.05482	3.6
81.03424	6.4
81.07055	13.3
83.01308	1.5
83.04971	5.5
83.08611	3.7
85.02908	15.3
85.06505	3.4
87.00820	2.9
89.04239	2.9
91.05471	4.7
93.07047	5.6
93.12579	1.2
95.05018	1.6
95.08607	20.2
95.39974	1.1
97.02901	6.5
97.06506	3.8
99.04430	3.8
99.08081	3.6
105.01856	1.8
105.07034	4.5
107.08602	16.1
109.02861	3.6
109.06536	7.2
109.10159	62.8
111.08096	3.0
113.75096	1.2
119.08578	25.4
121.10149	8.5
123.08073	7.3
123.11704	3.3
127.03912	16.9
127.11131	1.3
129.84251	1.3
132.04793	100.0
133.10138	12.7
135.11693	63.1
137.05951	3.8
137.09586	7.9
139.11197	2.1
145.04941	8.6
149.13246	5.1
151.11183	4.5
151.14832	7.5
153.12732	1.6
175.14828	28.8
193.15900	43.9
211.16933	33.3
225.00502	1.7
226.05951	1.2
323.12384	2.3
338.14743	3.7
398.16766	2.6
442.15701	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33469	0.8
52.58471	1.0
53.03949	1.2
53.60861	0.9
55.01875	2.1
55.05511	4.1
57.03439	1.9
57.07079	1.0
57.46840	1.1
59.38870	1.1
61.02923	1.6
67.05508	5.9
69.03412	6.1
69.07070	4.6
69.31216	1.0
70.60031	2.4
70.60400	2.2
71.04994	1.5
73.02916	4.0
76.36507	0.9
79.05502	2.9
79.73477	1.0
81.03407	7.1
81.07057	5.2
83.04975	2.0
83.08611	2.0
85.02908	12.3
87.00828	3.9
91.03956	1.1
91.05484	4.7
93.07040	3.9
95.08603	12.8
97.02910	3.2
97.06510	7.3
97.10194	1.5
99.08121	1.4
105.01878	3.0
105.07054	2.8
107.08606	7.6
109.02882	3.2
109.06518	3.0
109.10165	22.3
111.08110	8.4
117.07030	1.2
119.08586	14.1
121.10152	8.9
123.08070	10.9
123.11678	4.0
125.09616	2.3
127.03944	6.4
127.24683	1.0
133.10136	13.1
135.11676	14.0
137.05968	5.0
137.09628	26.4
137.10619	2.0
137.13292	1.7
138.10391	2.2
145.05072	2.0
147.11707	2.5
149.13284	4.4
151.11150	1.6
151.14830	2.7
159.02898	1.2
165.12769	3.8
175.14833	23.9
183.03473	1.1
193.15891	19.8
196.60684	1.1
211.16943	100.0
212.17293	2.6
217.56293	1.0
225.05470	2.9
226.06023	4.5
227.06633	3.8
231.05003	1.3
240.07645	1.5
241.08385	3.8
242.08972	2.6
323.12421	3.0
337.14337	1.2
338.14868	5.3
398.16885	7.7
415.19244	1.6
442.15640	6.5
459.18268	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	459.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98071	2.0
53.03944	9.2
55.01863	9.5
55.05512	4.6
57.03426	11.1
57.07058	3.1
61.02914	8.4
67.05496	9.6
68.99775	3.5
69.03434	30.3
69.07072	6.6
69.83946	12.6
71.04985	10.5
73.02910	15.6
79.05508	15.7
81.03419	42.3
81.07056	23.8
83.01315	2.4
83.04992	4.5
85.02910	45.3
87.00858	16.6
91.03945	7.3
91.05485	48.7
93.07038	19.4
95.04967	6.6
95.08621	20.7
97.02905	21.6
97.06535	6.3
99.04457	8.1
105.01875	11.7
105.07033	34.7
107.04897	4.1
107.08598	38.1
109.02887	27.4
109.06493	4.4
109.10151	12.1
115.05463	2.9
117.07001	3.8
119.04955	11.4
119.08574	23.3
121.06483	3.2
121.10131	9.4
123.04420	5.0
123.06527	2.2
123.08078	3.9
123.11710	6.4
125.09624	4.8
127.03924	33.3
129.07018	6.3
131.08556	9.7
133.10141	36.7
135.04433	4.4
135.11713	9.0
136.05164	5.0
137.05984	62.7
137.09633	5.1
142.07681	3.4
145.04942	9.4
147.04390	6.0
147.08005	5.0
147.11699	39.7
149.09621	10.2
149.13252	8.4
151.07472	2.4
151.11179	24.6
157.06471	2.7
157.10118	5.6
159.02942	12.9
159.08044	5.2
159.11720	3.0
161.05946	7.2
163.07542	2.7
165.09134	7.3
165.12759	11.5
167.10674	11.0
173.05949	3.5
175.07489	5.5
175.11136	12.3
175.14844	14.5
180.11462	2.9
183.10133	3.1
187.07574	5.8
188.09404	7.7
193.12238	23.2
193.13805	2.5
193.14130	3.2
193.15891	33.5
196.60756	3.2
201.05058	2.8
205.08575	7.5
211.13303	100.0
211.16602	15.5
212.08002	3.0
213.08974	2.8
226.05994	7.4
227.06633	7.7
231.04979	5.3
240.07635	3.0
241.08221	4.2
257.12073	3.4
283.13123	3.3
294.05304	4.4
301.13992	5.9
319.15430	2.8
322.11972	2.9
329.17340	4.8
338.14670	17.3
343.17343	3.0
352.17862	7.8
352.68182	3.4
360.69028	9.7
365.10300	2.8
369.69724	3.1
398.17102	12.2
423.29260	4.2
442.15933	13.5
459.18146	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	458.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64338	1.1
51.63723	1.3
53.03936	1.6
53.87850	1.2
55.01675	1.3
55.01877	15.0
55.05502	1.6
57.07061	2.2
59.05009	1.9
60.04523	2.1
67.05507	4.3
69.03414	1.7
69.07079	18.2
69.27005	11.8
72.37675	1.5
73.02924	33.6
79.05499	9.8
81.03426	3.1
81.07062	6.6
82.06574	4.4
85.02879	1.5
87.04433	1.5
89.06044	10.4
91.05480	11.7
93.07037	3.7
94.06567	3.1
95.04972	3.4
97.06538	27.0
98.07317	2.8
98.20765	2.0
103.05507	1.4
105.07027	2.1
107.04972	3.9
107.08610	2.2
108.08147	4.4
109.06553	2.2
117.07027	4.6
119.04924	1.6
119.08619	1.9
121.10142	1.7
123.04414	9.0
124.07590	2.2
128.06194	1.4
129.06995	3.2
131.08603	2.4
135.04448	2.9
136.05226	3.1
136.07565	2.3
137.05931	6.7
139.03894	2.2
141.06995	2.9
142.07690	1.8
142.08662	5.4
143.08577	2.5
145.06479	8.0
145.12238	4.8
147.04428	2.7
153.06995	2.7
154.08676	10.7
161.05937	3.2
163.03908	2.9
163.07556	3.0
165.07002	2.2
168.05731	4.5
169.06552	2.7
170.07291	32.7
171.08057	3.8
172.09703	2.0
181.06384	1.5
183.08035	16.4
184.05203	1.5
188.52730	1.3
194.07219	1.6
195.08025	2.5
196.05286	8.7
197.05946	6.6
199.07515	10.7
201.09036	1.6
203.16423	1.6
210.06836	1.9
211.07579	26.2
212.08354	11.6
212.16473	1.7
213.05522	5.0
219.10190	1.7
223.07509	2.9
225.05492	49.3
225.08983	1.8
226.06248	63.5
227.06941	6.9
228.07817	15.0
229.08571	5.9
232.11006	1.8
239.07005	11.2
240.05461	2.1
240.07838	25.8
241.08597	21.9
242.55658	1.4
253.80640	1.6
263.07132	2.8
279.21661	4.2
281.08084	2.3
283.09610	1.7
291.01974	1.5
301.10736	3.7
307.13300	5.5
322.12018	43.7
323.12158	2.0
337.14371	95.1
338.14536	3.1
345.09879	2.0
360.68863	1.7
379.15488	6.8
397.16492	100.0
398.16833	3.1
414.18869	11.6
422.28952	9.8
440.30133	7.3
441.15515	84.7
442.15683	1.9
458.18237	38.8
458.24847	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	9.9
57.03434	1.8
59.04250	1.2
65.17393	1.0
67.05499	2.0
68.99177	1.1
69.03452	1.7
69.07070	7.7
70.62657	3.8
73.02923	27.8
76.43542	1.1
79.05490	8.0
85.02912	2.4
87.00897	1.1
91.05497	4.2
93.07008	1.3
94.06586	1.2
95.04957	1.3
95.24715	1.0
97.06532	74.1
105.07042	1.6
107.04986	1.8
109.06529	1.8
117.07044	5.0
119.04923	1.5
121.06459	1.5
123.04436	4.6
124.08419	1.3
127.04055	1.0
129.07074	2.0
135.05502	1.1
136.05235	2.4
137.05981	1.7
141.07005	1.5
142.49733	1.0
145.06525	4.7
147.07117	1.2
161.06044	2.9
163.07574	2.5
168.05730	3.6
170.07310	4.3
171.08078	1.4
175.07558	1.9
175.25566	1.2
183.08165	3.1
185.11844	1.2
191.14445	1.4
192.14655	2.3
196.05205	8.8
197.06041	2.6
199.07584	5.3
207.06563	1.2
210.06784	6.2
211.07571	4.5
219.10298	5.5
223.07564	1.2
225.05504	13.8
225.09062	11.8
226.06247	40.7
227.07065	4.7
235.07555	1.5
235.09685	2.9
237.09254	1.7
239.07080	7.3
240.07828	1.4
241.08560	5.7
253.12048	2.5
271.09851	1.4
281.11682	10.2
293.11667	2.0
297.11392	3.5
299.09335	1.7
301.10889	2.2
311.09048	1.7
322.12003	95.5
323.12375	3.3
325.14346	1.6
337.14349	100.0
338.14728	2.5
353.13763	6.6
377.13907	2.1
379.15475	1.3
397.16489	65.3
398.16489	1.4
414.19159	13.7
441.15436	59.0
442.15921	1.7
458.18155	37.9
458.24817	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	458.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.7
55.05512	2.9
56.74375	1.9
57.07079	31.6
58.06595	7.4
59.07367	2.1
63.81376	2.1
67.05501	2.3
69.07050	1.9
70.16602	1.8
71.08640	63.1
79.05481	2.7
81.07043	3.1
85.10184	31.0
87.04472	5.1
89.06036	88.4
91.05483	15.3
93.07053	27.5
95.04986	3.9
95.08627	4.9
97.06519	2.2
103.05470	4.6
105.07024	4.0
107.04961	2.6
107.08618	5.5
117.07019	3.1
119.04969	4.8
119.08562	6.5
121.06517	77.4
121.07400	4.0
121.10133	4.2
131.08601	3.0
133.08617	64.4
133.10138	3.3
135.08066	4.9
135.11685	3.5
147.08037	6.6
149.09645	3.9
161.08253	2.3
165.09137	43.0
177.11229	10.2
209.11772	16.8
227.12799	5.4
230.59894	2.4
247.20584	13.2
250.14912	1.8
271.15439	4.0
291.23239	19.3
315.18045	100.0
317.19019	4.0
321.46185	2.1
335.25577	4.9
436.30374	9.6
436.80914	2.3
441.32281	17.6
458.31848	3.6
459.34946	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	458.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54073	1.9
55.01875	20.3
57.72357	2.1
62.68658	2.0
67.05480	3.3
69.07073	17.0
70.82104	4.3
73.02923	47.2
79.05499	10.0
85.45341	1.7
91.05494	6.0
93.07043	2.8
97.05923	3.6
97.06536	52.0
103.03973	6.1
103.05463	2.1
107.04974	6.0
107.08574	2.5
109.10155	2.2
109.21770	1.7
115.05446	3.5
117.07029	8.2
119.04988	2.1
119.08546	2.1
121.06570	2.0
123.04423	9.9
129.07071	4.2
135.04422	3.4
136.05252	3.5
137.05962	3.2
139.03902	5.6
141.06953	2.7
143.08577	4.5
145.06503	10.0
147.11685	2.6
155.08543	3.5
161.05971	3.8
163.07558	3.2
168.05667	3.1
169.06532	2.5
170.07272	17.9
171.08078	5.4
183.08043	10.7
192.14711	5.8
195.08087	6.1
196.05240	6.1
197.06030	7.6
199.07552	5.7
204.61774	1.8
204.63615	1.9
211.07573	33.0
211.16917	2.9
212.08310	9.0
213.05559	11.2
219.10078	2.4
223.07536	3.7
225.05476	53.5
225.08966	4.3
226.06264	78.4
227.07016	7.2
228.07834	13.7
229.08607	5.9
237.09138	2.5
239.07068	9.8
240.07838	38.5
241.08615	55.0
241.11066	2.6
243.73167	2.0
252.07651	2.2
265.08594	3.5
272.78601	1.9
281.08041	3.3
281.11761	3.1
282.08813	3.1
299.09329	3.4
301.10730	15.8
307.13354	2.5
322.12027	30.3
326.41138	1.9
337.10272	4.5
337.14371	90.1
345.09698	7.2
379.15521	8.5
397.16513	100.0
414.19174	18.4
441.15497	99.6
442.15662	3.0
458.18204	56.7
458.25015	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	457.368
Annotation	Supinenolone A
Peak:m/z	Relative Intensity
53.03939	4.4
55.01871	1.8
55.05511	18.7
57.07076	6.6
60.60227	1.4
65.03959	3.0
67.05177	2.8
67.05507	33.0
69.07071	28.8
69.18061	18.3
71.04986	2.2
79.05502	20.5
81.07058	63.7
83.04963	1.8
83.08627	19.2
85.06528	2.3
91.05482	17.6
93.07050	51.9
95.04951	4.2
95.08613	100.0
95.48806	1.8
97.06549	5.3
97.10181	9.7
99.08107	2.0
105.07037	27.5
107.08602	70.3
109.06532	2.6
109.10162	82.2
111.11716	5.8
117.07018	4.0
119.08578	33.7
119.09372	2.7
121.10152	58.6
123.08059	4.0
123.11709	35.1
125.09620	2.3
127.11194	2.0
131.08577	13.0
133.10139	26.0
135.11700	42.1
137.13255	17.6
143.08572	4.3
145.10144	20.9
147.08003	2.0
147.11693	31.8
148.11899	2.6
149.09634	3.9
149.13264	34.2
151.07555	4.1
151.14824	2.1
157.10187	6.2
159.08130	2.7
159.11723	15.2
161.09584	3.0
161.13242	19.3
163.07539	2.7
163.11195	2.8
163.14838	39.1
163.16200	1.4
165.09132	5.2
165.12784	2.2
171.11720	5.1
173.09599	3.9
173.13248	12.2
175.11345	1.7
175.14824	19.1
177.09122	6.2
177.12729	1.9
177.16368	19.9
179.10703	1.9
183.11763	2.1
185.13234	2.9
187.11218	2.4
187.14827	10.8
189.12730	2.2
189.16408	8.7
191.10590	7.8
191.14398	4.2
191.17960	22.0
193.12378	2.4
193.15875	3.2
197.13246	1.8
199.11140	2.0
199.14842	2.8
201.12727	15.8
201.16409	6.9
203.14360	6.4
203.17921	8.6
205.12286	6.0
205.15916	3.0
205.19588	12.9
215.14381	2.9
215.17958	2.1
217.19536	6.2
219.13792	24.5
219.17471	4.7
219.21167	7.4
221.15370	12.2
229.16013	4.0
233.15407	9.8
235.16956	2.0
237.14864	8.1
247.16953	8.1
251.16426	5.8
329.24808	3.9
343.26260	2.8
355.26361	1.8
361.27432	6.6
368.68964	1.6
373.27405	5.1
411.36237	6.3
421.34659	4.6
439.35840	33.7
457.27176	3.2
457.36813	78.9
458.37268	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	457.368
Annotation	Bacosine
Peak:m/z	Relative Intensity
51.98424	0.5
53.03948	1.8
55.01872	1.2
55.05511	20.7
57.03422	0.8
57.07071	6.3
59.04963	0.6
65.03936	2.3
67.05505	33.7
69.03432	2.6
69.07068	30.0
71.04984	1.7
71.08632	1.2
71.48822	0.9
77.03912	0.8
79.05492	19.1
81.03413	2.7
81.07057	65.5
82.07384	1.0
83.04982	0.7
83.08619	16.9
85.02899	3.6
85.06533	2.1
85.10208	1.2
87.00816	1.2
87.11067	0.6
91.05478	16.7
93.07043	43.3
95.04984	3.0
95.08608	100.0
96.08943	0.8
97.02888	2.1
97.06526	2.7
97.10169	9.7
99.04475	1.3
99.08118	0.6
103.05490	1.1
105.01846	1.0
105.04562	0.7
105.07031	27.7
107.04989	0.7
107.08596	61.3
108.08945	0.6
109.02846	2.7
109.06509	2.1
109.10158	76.2
110.31825	0.5
111.04379	0.6
111.08109	1.3
111.11715	5.1
113.06052	0.6
115.05441	0.8
117.07012	5.5
119.08584	29.4
120.09454	0.7
121.06497	1.8
121.10145	54.0
122.09666	1.3
122.10478	0.6
123.04419	1.0
123.08077	3.1
123.11709	34.0
125.06045	0.7
125.09695	1.3
125.13287	0.7
127.03911	3.7
128.06250	0.7
129.07002	2.5
130.07800	1.0
131.08563	12.0
133.06528	1.1
133.10133	22.9
135.08119	2.8
135.11691	38.8
136.12083	0.6
137.05942	1.3
137.09631	1.7
137.13252	15.0
137.14258	1.2
139.07503	1.5
139.11150	0.6
141.07011	0.7
142.07776	0.9
143.08559	2.9
144.09364	1.6
144.74931	0.6
145.04984	2.4
145.06490	0.9
145.10123	20.3
147.08044	3.2
147.11693	30.3
148.12315	0.8
149.06032	0.9
149.09636	2.5
149.13263	30.8
151.07571	3.1
151.11116	1.1
151.14812	4.1
153.09117	1.7
155.08536	0.9
156.09370	1.2
157.10124	5.5
158.10941	1.4
159.02917	1.4
159.08073	4.5
159.11688	15.6
160.12495	1.0
161.09612	3.2
161.13248	17.4
163.07613	2.6
163.11203	1.8
163.14816	34.9
165.09138	6.1
165.12747	2.6
165.16373	1.3
167.10689	0.6
169.10155	1.1
171.11684	3.3
172.12401	0.8
173.09633	6.8
173.13255	13.6
175.11212	2.1
175.14819	15.5
175.16310	1.1
177.09079	5.0
177.12810	1.5
177.16385	21.0
179.10689	2.1
179.14302	1.2
179.17979	2.0
180.75720	0.6
183.11687	1.1
184.22911	0.7
185.09671	1.7
185.13301	2.7
186.10425	0.7
187.11160	3.6
187.14835	9.8
189.12816	1.8
189.16389	9.0
191.10669	11.2
191.14313	8.4
191.16150	1.3
191.17949	24.7
193.12291	2.5
193.15857	3.7
193.19565	2.2
195.13824	0.8
197.13275	0.7
199.11235	1.2
199.14799	3.0
201.12747	20.1
201.16388	5.8
203.14316	3.1
203.17932	7.6
204.47324	0.6
205.12271	4.9
205.13852	0.6
205.14180	0.6
205.15907	4.4
205.19501	15.5
207.13826	1.7
207.17368	0.8
207.21078	0.7
209.15405	1.3
213.12842	0.7
213.16476	1.6
215.14348	6.1
215.17966	2.6
217.12204	0.8
217.16008	1.0
217.19510	4.0
219.13803	31.3
219.17433	2.7
219.21062	8.8
221.15352	9.7
221.22641	0.7
223.13364	1.1
223.17084	0.6
227.14374	1.0
227.18010	0.7
229.15904	4.6
229.19519	1.2
231.13866	1.7
231.21074	1.4
233.15390	10.5
235.17023	1.9
237.14786	6.1
241.15892	0.7
241.19640	1.1
243.17511	1.2
243.21190	1.0
245.15294	1.3
247.16943	8.5
251.16431	5.5
257.19092	0.8
259.17053	1.3
259.24362	1.4
261.18555	2.0
265.18057	2.2
267.63364	0.7
269.22675	0.8
271.20624	0.9
275.20206	2.0
277.18030	1.1
279.19745	0.6
283.24182	1.3
289.21738	1.1
297.25751	0.8
301.21765	0.6
301.25250	1.1
311.23752	0.8
329.24716	3.8
337.25470	0.7
343.26532	1.8
347.25851	1.5
355.26361	1.4
361.27393	4.8
365.32214	0.8
367.33768	2.1
367.47522	0.7
369.27756	1.2
369.35461	1.4
373.27347	3.6
383.29605	1.4
387.29163	1.3
393.35355	1.9
395.36899	1.7
401.31540	0.7
411.36179	5.2
421.34637	5.1
439.35751	32.4
440.35968	0.9
457.36819	59.1
458.37277	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.368
Annotation	Petatrichol A
Peak:m/z	Relative Intensity
51.20692	2.2
51.45102	1.7
55.05516	12.5
57.07075	7.5
67.05514	30.8
68.10091	1.7
69.07074	26.6
71.04959	2.2
71.08623	3.2
79.05496	20.1
81.07061	59.7
83.08611	13.0
84.16838	1.8
85.06561	2.7
91.05491	14.4
93.07051	37.9
95.05016	3.9
95.08614	100.0
96.08977	1.9
97.10163	9.8
104.45059	1.9
105.07043	27.4
107.08597	59.8
109.10168	75.1
111.11728	5.3
117.07046	4.4
119.08594	29.5
121.10155	50.2
121.62715	1.9
122.06044	1.9
123.11716	37.4
123.43365	1.9
125.09630	2.2
129.07056	2.2
131.08537	10.0
133.10152	22.7
134.03651	11.7
135.11699	38.0
136.07599	3.7
137.13258	15.8
138.09171	7.1
143.08597	3.3
145.10126	19.0
147.08000	2.8
147.11699	27.7
149.09593	2.4
149.13263	33.7
151.07512	2.6
157.10132	3.6
159.11662	12.6
161.09613	3.6
161.13272	14.4
162.03099	3.6
163.03925	10.0
163.11240	3.3
163.14825	35.1
165.09178	3.7
165.12842	2.1
173.09644	8.4
173.13251	13.7
175.11230	3.1
175.14804	13.3
177.09105	4.7
177.16418	20.3
179.17873	2.8
187.11217	2.4
187.14886	8.1
189.16386	6.6
191.10640	10.2
191.14314	3.6
191.17970	22.4
193.12225	4.0
193.15936	3.1
201.12801	15.2
201.16431	7.9
203.14316	3.6
203.17874	8.9
205.12138	4.2
205.15907	4.0
205.19547	15.5
215.14346	4.5
217.19490	3.5
219.13820	28.6
219.17351	2.3
219.21161	8.5
221.15469	10.8
229.15984	3.0
233.15326	11.6
237.14871	6.6
243.17447	2.3
247.16905	10.6
251.16493	6.9
265.18121	2.5
275.20352	2.4
285.08707	3.4
291.49576	1.8
301.11920	8.0
313.08344	1.9
331.09094	2.2
343.26453	3.4
357.27914	2.4
361.27521	4.8
373.27365	4.6
411.36313	3.1
418.17877	2.2
421.34711	5.0
439.35797	37.1
457.36826	72.3
458.37000	2.6
468.66373	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	457.3677
Annotation	Bacosine
Peak:m/z	Relative Intensity
51.02375	1.1
53.03942	2.6
55.01868	1.6
55.05512	17.3
57.07078	6.4
58.39595	0.9
59.05000	0.8
65.03946	0.9
67.05505	29.1
69.03419	3.0
69.07068	30.4
71.08633	2.1
77.03905	1.1
79.05498	19.3
81.03417	2.6
81.07057	65.0
82.07378	0.8
83.08617	18.1
85.02897	2.7
85.06543	2.3
91.05473	15.7
93.07046	43.1
95.04956	3.3
95.08609	100.0
97.02871	1.4
97.06525	2.8
97.10174	10.0
103.05475	0.8
105.07029	25.2
107.08596	61.8
109.02866	1.0
109.06509	2.2
109.10157	80.8
110.10525	0.8
111.08099	1.2
111.11739	5.8
115.16056	0.9
117.07037	5.3
119.08585	30.0
121.06461	1.1
121.10145	55.0
122.09660	0.9
123.08074	3.7
123.11708	41.7
125.05966	1.2
125.09637	1.3
127.03943	2.0
129.07013	1.8
131.08562	9.8
133.06432	0.9
133.10135	21.8
135.08064	3.4
135.11694	36.5
137.05974	1.0
137.09642	2.1
137.13257	14.5
139.07536	1.0
139.11165	1.1
142.07773	1.4
143.08583	3.8
144.09302	1.2
145.04984	1.1
145.10123	22.5
146.10753	1.0
147.08060	3.1
147.11693	27.9
149.09602	3.0
149.13269	29.8
151.07500	1.8
151.14833	4.1
153.09146	2.0
155.08519	1.0
155.10693	1.2
156.09363	1.0
157.10104	4.5
158.10965	1.3
159.02942	1.6
159.08070	2.8
159.11691	16.0
161.09622	2.3
161.13254	15.5
163.07544	2.0
163.11157	1.6
163.13434	2.0
163.14816	39.0
165.09123	5.1
165.12752	2.2
165.16374	1.2
171.11757	4.7
171.12959	1.0
173.09628	9.8
173.13254	16.5
175.11197	1.9
175.14818	14.5
177.09151	5.5
177.12672	1.1
177.16379	19.3
179.10625	2.2
179.17946	3.0
182.87167	1.0
183.11700	1.9
185.13303	3.4
187.11215	3.4
187.14801	9.3
189.12852	1.7
189.16380	6.3
191.10672	11.1
191.12201	1.2
191.14307	6.3
191.17931	26.1
192.18468	1.0
193.12263	2.3
193.15916	2.2
193.19527	1.1
197.13297	1.0
199.14789	2.0
201.12752	18.2
201.16391	6.9
203.14357	2.9
203.17982	7.8
205.12215	5.2
205.15996	3.7
205.19510	15.7
209.11697	1.2
213.16493	1.0
215.14377	5.7
215.17967	2.6
217.12244	1.3
217.15891	1.4
217.19576	3.2
219.13808	30.6
219.17426	3.0
219.21043	9.4
221.15343	11.2
227.18077	1.0
229.15874	3.3
231.13715	1.9
231.21034	1.1
232.78523	0.8
233.15436	9.8
235.16957	1.7
237.14838	6.6
243.17436	1.1
243.21107	1.4
245.15320	1.9
245.22816	1.0
247.16928	12.2
251.16447	7.7
257.19055	1.2
259.17081	1.6
259.24240	1.2
261.18613	2.1
265.18039	3.2
273.18384	1.0
275.19971	1.9
291.23181	1.2
303.23132	1.1
315.22980	1.2
315.26486	1.1
329.24521	4.6
343.26318	2.9
347.25800	1.7
361.27274	4.9
367.33521	2.6
369.35367	2.4
371.29276	1.0
373.27267	5.2
387.28970	2.2
393.35281	2.1
395.36914	2.0
401.30573	1.4
411.36560	4.2
421.34979	4.4
439.35782	38.1
457.36789	69.3
458.37012	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3675
Annotation	beta-Boswellic acid
Peak:m/z	Relative Intensity
50.37592	0.8
55.05510	4.5
57.07064	2.6
65.03930	1.0
67.05502	9.7
69.07065	9.6
69.53681	3.6
69.54094	1.8
71.08623	0.9
72.63055	1.0
79.05485	5.4
80.73332	0.9
81.06596	1.5
81.07056	27.0
83.08622	4.6
90.71292	0.7
91.05468	2.7
93.07043	12.8
95.04939	0.9
95.08601	44.4
97.10179	3.1
105.07014	6.0
105.28686	0.9
107.08594	13.1
109.06497	1.0
109.10156	20.4
111.08096	1.1
111.11735	1.0
117.07007	2.3
119.08572	7.9
121.06554	1.5
121.10137	11.8
123.11697	9.4
131.08563	3.1
133.10120	9.3
135.08061	1.4
135.11681	8.2
137.13252	15.0
143.08568	1.9
145.10083	4.0
147.11682	7.9
149.09607	0.9
149.13254	8.7
151.14816	2.0
153.09111	1.8
157.10106	1.0
159.11703	3.7
161.13254	3.6
163.11203	3.6
163.14784	4.7
165.09131	1.0
167.10687	1.1
171.11681	1.5
173.13254	4.7
175.11127	1.2
175.14807	2.7
177.12712	2.2
177.16455	2.2
183.34216	0.7
185.13286	2.0
187.14848	2.9
189.16383	4.1
191.14304	13.8
191.17976	2.3
193.12302	1.4
197.13286	1.0
199.14830	1.2
201.16412	2.3
203.17989	2.2
205.15875	1.3
205.19562	2.8
213.16359	1.0
215.17967	1.2
217.15857	1.6
217.19614	1.0
219.13849	1.0
229.15836	1.0
231.17438	1.0
233.15369	1.3
241.19669	1.1
243.17558	1.7
247.16994	0.8
253.19351	0.8
257.19113	2.0
257.22678	1.4
271.24356	1.4
274.26590	0.9
393.35062	1.2
395.32993	14.0
395.37357	1.4
411.36093	3.2
421.34656	3.2
439.35736	37.4
440.36212	1.7
457.36761	100.0
458.37152	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	457.3678
Annotation	beta-Boswellic acid
Peak:m/z	Relative Intensity
53.03937	2.1
55.01868	1.6
55.05272	1.7
55.05516	18.0
55.26157	1.4
56.18510	1.5
57.07095	7.3
67.05509	30.2
69.03440	1.8
69.07074	29.5
69.46046	11.4
71.08602	2.0
79.05490	19.8
81.06597	3.1
81.07063	58.8
83.08627	14.3
85.02899	3.1
85.06541	1.9
90.63707	1.5
91.05476	15.2
93.07047	38.6
95.04954	2.1
95.08613	100.0
97.06532	2.9
97.10183	8.6
105.07030	26.3
107.08601	65.6
109.02875	2.7
109.10160	77.4
111.08121	1.6
111.11720	6.6
117.07019	4.0
119.08588	29.0
121.10157	51.6
123.08111	3.9
123.11716	37.9
131.08582	10.9
132.74663	1.5
133.10127	24.3
135.08076	2.6
135.11694	37.5
137.09645	2.6
137.13264	13.6
137.43910	1.9
143.08559	2.3
145.10120	18.3
147.11682	29.8
149.09607	2.2
149.13263	30.6
151.07533	2.8
151.14836	3.4
153.37721	1.5
156.09315	1.4
157.10139	3.7
158.10950	2.0
159.08037	2.3
159.11725	17.7
161.09653	3.6
161.13271	16.0
163.14832	40.8
165.09132	4.5
165.12770	2.4
171.11710	2.4
173.09694	8.2
173.13274	14.0
175.11215	1.6
175.14810	15.3
177.09102	4.4
177.16403	21.1
179.10625	2.0
179.17877	2.5
185.13344	2.8
187.11264	3.1
187.14809	8.6
189.16388	7.6
191.10710	9.5
191.14336	5.1
191.17955	27.6
193.12236	3.4
193.19545	2.0
199.14827	2.0
201.12767	16.6
201.16463	5.5
203.14366	4.5
203.17981	6.4
203.23080	1.6
205.12297	4.3
205.15953	3.5
205.19554	14.5
207.13824	2.0
213.16357	2.3
215.14398	4.8
217.19525	4.3
219.13831	27.5
219.17378	2.6
219.21089	7.5
221.15335	9.6
229.15926	2.8
231.13721	2.3
233.15396	10.8
237.14931	7.0
245.15379	2.3
247.16948	8.9
251.16483	5.2
265.18155	2.3
275.20135	2.3
329.24744	4.0
347.25571	2.6
361.27399	3.8
367.33798	2.6
373.27429	6.2
395.36758	2.3
411.36255	4.4
421.34668	4.5
439.35831	30.7
457.36829	79.0
458.37131	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	457.3676
Annotation	Bacosine
Peak:m/z	Relative Intensity
53.03926	2.4
54.99577	2.3
55.05513	19.0
57.07062	10.5
59.04994	3.0
65.03940	2.9
67.05508	28.9
69.07072	31.9
71.08598	3.4
72.08138	5.0
76.93592	2.4
79.05486	21.6
81.06600	4.3
81.07056	78.9
83.08611	15.3
91.05499	17.1
93.07048	37.6
95.04951	7.8
95.08611	100.0
97.06490	13.1
97.10148	11.5
99.85473	2.7
105.07030	40.0
107.08594	62.0
109.06504	7.7
109.10154	54.4
111.11703	4.7
117.06991	7.6
119.08582	33.6
121.06507	4.2
121.10142	40.2
122.87376	3.1
123.08086	3.8
123.11710	33.2
129.07072	3.1
131.08548	17.0
133.10144	27.9
135.08063	4.4
135.11697	43.5
137.09544	3.3
137.13254	35.6
137.59312	2.6
139.11186	2.6
142.07829	2.8
143.08545	5.6
145.10133	22.5
147.11710	26.5
149.13249	31.1
151.14781	5.4
151.99590	2.7
157.10143	7.6
159.11670	18.4
161.13220	18.0
163.11177	5.0
163.14793	16.0
171.11639	6.4
173.13309	15.1
175.14815	14.5
177.12717	4.1
177.16388	17.2
179.17926	3.0
183.11697	2.9
185.13200	6.3
187.14851	12.1
189.12723	4.9
189.16338	11.2
191.14287	6.3
191.17912	15.3
199.14737	3.7
201.16351	13.1
203.17946	12.6
205.19423	13.6
209.15414	2.9
213.16441	5.1
215.17934	5.0
217.19572	7.9
219.13800	4.4
221.15398	7.7
229.19521	4.8
231.21149	4.8
235.16919	4.2
237.14909	8.8
241.19572	5.0
243.21220	3.7
245.22650	4.6
247.16922	6.3
249.18539	3.9
251.16397	7.4
255.20889	4.4
257.19055	3.2
257.22504	3.6
261.18439	4.1
281.22656	3.2
283.23953	3.6
285.25818	6.5
289.21487	3.5
301.21539	3.9
305.20901	3.0
336.88425	2.7
369.28003	2.7
392.12808	3.1
393.35172	5.4
411.36520	14.5
421.34683	4.1
427.35721	4.5
439.35764	54.0
457.36816	63.0
457.43774	2.8
467.23639	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	457.3676
Annotation	27-Desoxyphillyrigenin
Peak:m/z	Relative Intensity
53.03924	0.7
55.05502	1.4
57.07051	1.5
65.03957	0.5
67.05498	2.9
69.07074	6.2
69.49692	3.6
71.66018	0.6
79.05498	3.5
81.06672	0.6
81.07069	7.9
83.08602	1.7
91.05470	2.6
93.07043	5.8
95.08610	14.0
97.06516	1.2
97.10180	1.3
105.07032	4.4
107.08589	12.6
109.10160	11.1
119.08581	5.0
121.06530	0.8
121.10153	10.2
123.11707	3.7
125.06004	1.2
129.07047	0.6
131.08575	1.9
133.10097	3.5
135.08069	1.5
135.11684	9.6
137.09641	1.0
137.13251	4.3
139.07559	1.2
145.10150	3.5
147.08057	0.8
147.11682	2.4
148.79472	0.6
149.06017	0.8
149.13252	4.4
151.07573	0.8
153.09120	0.7
157.10124	0.9
159.11729	1.9
161.06026	0.7
161.09613	1.7
161.13206	1.1
163.07550	23.7
163.11198	0.8
163.14818	2.7
165.09131	1.4
173.09645	3.1
173.13226	1.1
175.11148	1.5
175.14795	0.8
177.09158	3.8
177.16396	2.6
179.10677	1.3
181.12350	0.9
183.11729	0.6
185.09587	1.2
185.13162	0.9
187.11302	1.0
187.14809	1.4
189.16370	1.1
191.10681	3.7
191.17952	100.0
192.18329	1.7
199.11246	0.9
201.16422	0.9
203.18066	2.9
205.19527	0.7
209.13255	1.5
210.40775	0.6
213.12746	1.1
213.16599	0.7
215.14337	2.3
215.18019	0.8
216.46019	0.5
217.19293	0.6
224.07849	0.6
227.14357	1.9
233.15427	5.3
247.16982	0.8
259.54031	0.6
273.18338	0.6
333.25717	2.8
351.26797	8.6
369.27948	8.0
421.34604	1.4
439.35736	13.1
457.36765	36.4
458.37167	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3675
Annotation	Ekeberin A
Peak:m/z	Relative Intensity
53.03949	1.2
55.05509	4.6
57.07067	2.9
62.32547	0.7
65.03956	1.0
67.05502	11.8
69.03395	0.8
69.07068	12.2
71.24789	0.8
71.40835	0.8
71.41187	1.1
79.05492	6.4
81.07058	30.1
83.08601	5.2
91.05489	4.2
93.07043	13.0
95.04943	1.4
95.08609	42.5
97.06554	1.2
97.10184	2.8
105.07038	6.1
107.08600	18.8
107.09322	1.7
109.06533	1.9
109.10158	20.3
111.08014	0.7
111.11749	2.4
119.08581	7.3
121.06494	1.1
121.10146	16.4
123.08076	2.1
123.11700	12.0
123.12482	1.2
131.08615	2.2
133.10127	6.5
135.08087	1.9
135.11688	11.8
137.09648	1.8
137.13258	14.0
145.10126	4.4
147.11731	4.9
149.09647	2.6
149.13257	9.4
151.11195	1.8
151.14796	2.0
153.12776	1.8
157.10194	0.9
159.11707	1.5
161.13234	4.4
163.11264	0.9
163.14809	7.1
173.13266	2.5
175.14842	2.9
177.12770	1.1
177.16452	2.3
187.14886	2.9
189.16411	1.6
191.14368	1.4
191.17978	2.6
193.15849	3.7
201.16431	1.5
203.17958	2.0
205.15883	4.9
205.19589	2.9
207.17509	1.9
219.17500	1.7
223.16963	2.5
229.19565	2.1
251.16434	12.4
265.17966	5.5
393.35098	1.4
411.36273	9.5
429.37320	0.9
439.35706	0.8
457.36783	100.0
458.36993	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	457.3679
Annotation	27-Desoxyphillyrigenin
Peak:m/z	Relative Intensity
53.03943	0.9
55.05510	4.9
57.07083	4.3
67.05504	10.1
69.07070	9.4
69.54984	4.7
71.08618	0.9
79.05503	7.4
81.07060	28.7
83.04977	1.4
83.08624	4.6
91.05486	3.7
93.06486	1.2
93.07051	17.1
95.08610	39.2
97.06522	1.1
97.10181	2.2
98.21508	0.9
105.07052	7.1
106.45745	0.7
107.07880	1.5
107.08594	24.0
109.06514	2.4
109.10164	20.6
111.11746	1.1
117.07015	1.5
119.08580	11.0
121.06559	1.8
121.10155	21.4
123.08102	1.1
123.11710	12.4
125.05970	0.9
125.09633	1.1
131.08592	3.4
133.10153	6.1
135.08081	2.5
135.11705	13.7
137.09645	1.1
137.13266	11.6
139.11192	1.4
143.08606	0.8
144.09395	1.0
145.10106	4.4
147.11690	7.2
149.09660	1.4
149.13266	17.2
151.14809	2.0
153.09222	0.9
153.19173	0.7
157.10178	1.1
159.11716	3.2
161.09579	1.0
161.13257	3.5
163.07552	1.7
163.11177	1.7
163.14833	5.9
167.10680	1.9
169.10226	0.9
173.13268	5.8
175.11153	1.2
175.14877	3.2
177.09081	2.5
177.12816	2.3
177.16385	2.1
181.12198	2.7
187.14830	3.9
189.12723	1.1
189.16437	2.1
191.14322	6.4
191.17938	6.1
197.13397	0.9
201.16351	1.0
203.14305	4.5
203.17993	1.9
205.15945	2.9
205.19550	4.1
207.13858	0.7
215.14413	1.9
217.19579	1.1
219.13794	0.8
219.21086	1.5
221.15334	1.0
229.15970	0.7
231.21043	1.1
233.15387	6.9
235.16858	1.1
237.14815	1.1
243.21100	0.9
247.16966	6.9
251.16446	54.0
252.16769	1.1
257.22659	1.3
259.24191	1.1
265.17981	10.8
285.22189	1.8
365.91925	0.8
395.33020	4.6
421.34900	1.9
427.35791	2.0
439.35748	11.7
457.36774	100.0
458.37247	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	457.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45569	0.7
55.05508	1.7
56.29700	0.5
57.07065	1.8
60.55456	0.6
60.80371	0.6
67.05507	3.0
69.06751	0.8
69.07068	5.4
70.73924	1.1
70.74239	1.0
71.08604	0.7
79.05496	3.3
81.07060	11.2
83.04965	1.0
83.08601	2.4
85.06530	1.9
91.05500	1.2
93.07047	4.3
95.08604	11.9
97.06519	1.5
97.10165	0.7
99.08104	0.8
105.07014	3.7
107.08596	6.9
109.06553	0.6
109.10159	7.1
111.08037	0.9
117.07019	0.8
119.08575	4.6
121.10136	6.4
123.08059	1.7
123.11723	3.4
131.08598	1.8
133.10127	3.9
135.08104	3.1
135.11696	4.2
137.09625	1.1
137.13254	5.4
139.07561	0.7
142.07727	0.8
143.08533	1.4
145.10173	3.9
147.08049	1.1
147.11700	2.2
149.09628	2.7
149.13243	2.5
151.11154	1.4
157.10117	2.7
159.08028	0.7
159.11703	2.8
161.09642	1.5
161.13280	1.8
163.07556	3.8
163.11243	1.4
163.14827	2.2
169.10107	0.7
170.10959	1.5
171.11642	1.1
173.13283	1.6
175.11208	1.9
175.14838	1.7
177.09190	0.9
177.16386	1.9
185.13268	4.2
187.14813	2.6
189.12836	1.3
189.16425	1.3
191.17957	9.8
199.14769	1.5
201.16374	1.3
201.20473	1.0
201.39496	0.6
203.14317	2.7
205.15904	1.7
205.19624	0.7
215.14346	2.4
217.15900	1.4
219.17484	1.1
219.21111	0.8
227.18015	1.1
228.25813	0.6
231.13828	2.8
233.15414	2.1
245.15398	1.4
263.17761	0.6
284.26712	0.9
323.27463	0.9
355.29898	1.7
359.29443	14.8
369.27881	100.0
370.28302	3.0
395.33096	0.8
421.34531	3.4
439.35721	37.4
440.35861	2.3
451.72864	0.8
457.36292	4.2
457.44366	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3675
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
53.37203	1.2
55.05508	5.8
57.07075	4.0
67.05509	13.6
69.07069	12.4
71.04987	1.2
78.22692	1.3
79.05489	7.6
81.07061	24.7
83.08646	5.0
85.06590	1.4
91.05476	7.7
93.07050	13.1
95.08611	38.0
97.10200	2.8
100.86516	1.3
105.07043	10.3
107.04960	2.3
107.08585	15.3
109.06536	1.5
109.10162	32.0
111.08129	1.3
113.09670	1.3
119.08579	11.1
121.06490	2.3
121.10139	15.4
123.08105	2.3
123.11696	11.0
125.13283	1.3
131.08603	6.1
133.06516	4.1
133.10133	7.1
135.08069	2.1
135.11725	13.8
137.09683	2.2
137.13249	11.0
143.08630	3.7
145.06508	2.3
145.10149	9.2
147.08076	3.3
147.11699	9.3
149.13283	10.6
151.11162	1.3
151.14839	2.7
153.66251	1.4
155.08553	2.4
157.10187	4.5
159.08182	2.1
159.11702	6.7
161.09651	3.0
161.13307	3.6
163.11203	1.8
163.14838	3.9
169.10141	2.0
171.11697	2.2
173.09694	3.1
173.13309	4.5
175.11261	2.1
175.14977	4.6
177.16426	4.2
185.13245	2.6
187.11244	2.6
187.14841	9.5
189.12735	2.0
189.16402	7.1
191.17931	10.1
197.13370	2.1
199.11163	2.1
199.14862	1.9
201.12827	4.1
201.16466	3.7
201.93150	1.7
203.18083	3.5
205.15935	2.0
205.19525	9.4
213.13036	1.5
213.16321	1.5
215.14296	7.2
215.17978	2.4
217.15974	4.0
217.19569	2.8
225.16368	1.5
229.15933	1.7
231.17534	1.4
233.15414	3.3
233.18983	2.4
241.19601	1.6
243.17502	2.2
255.21291	1.9
269.19235	2.0
284.26855	2.0
284.30157	1.3
285.22104	1.9
311.23935	2.3
313.25253	2.4
325.25372	2.4
369.28146	1.6
403.33755	2.1
411.36591	2.0
421.34677	44.6
439.35944	19.4
440.36157	1.6
457.36865	100.0
458.37195	4.0
481.80209	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3311
Annotation	Wilforic acid B
Peak:m/z	Relative Intensity
53.03939	1.1
55.05508	2.5
57.07084	1.0
62.29869	0.6
67.05507	5.1
69.07059	3.1
71.05001	0.9
79.05495	3.7
81.07057	7.0
83.04977	0.9
83.08622	1.5
91.05481	5.7
93.07046	7.8
95.04959	1.7
95.08617	9.1
96.23047	0.7
97.06516	2.1
97.10184	1.2
98.21509	2.3
105.07032	10.3
106.39797	0.7
107.08604	10.1
109.06523	1.4
109.10161	6.9
111.08024	1.1
117.07021	2.2
119.08593	11.0
120.37364	0.7
121.06507	2.7
121.10162	8.4
123.08080	1.2
123.11732	1.8
125.09698	0.8
129.07043	1.2
131.08557	4.0
133.06493	5.2
133.10133	8.3
135.08061	26.2
135.11697	3.3
137.09625	1.3
140.04634	0.7
143.08597	2.5
145.10139	5.3
147.08073	4.1
147.11685	5.2
149.09641	4.6
149.13278	2.5
151.11188	1.8
155.08525	0.9
156.09341	0.7
157.10178	3.6
159.08092	1.8
159.11697	4.9
161.09634	8.3
161.13243	3.8
163.11229	1.7
163.14810	0.8
169.10139	1.1
171.08073	1.2
171.11696	3.0
173.09613	1.7
173.13275	3.5
175.11189	7.8
175.14835	3.3
177.12827	1.0
177.92909	0.8
183.11646	1.8
185.09669	0.8
185.13283	2.9
187.14787	2.5
189.12718	3.5
189.16347	3.0
191.14325	1.1
197.13293	0.7
199.14848	1.5
201.12720	1.8
201.16463	2.0
203.14320	16.0
203.17892	1.1
205.15939	1.1
211.14767	0.9
213.16423	1.6
215.14404	1.0
217.15881	8.3
219.13875	1.5
220.30354	0.7
227.17841	1.0
229.05452	1.2
229.19595	0.9
231.17480	1.7
243.17538	1.2
251.14941	0.8
403.29886	1.3
421.31055	4.1
439.32034	4.0
457.14969	3.0
457.33115	100.0
458.33398	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	457.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59261	4.9
53.03936	15.9
55.01870	28.1
55.05503	28.9
57.03428	18.5
61.02924	11.8
67.05502	11.1
68.99794	13.0
69.03139	4.9
69.03435	52.1
69.07053	12.0
70.06594	25.9
71.04990	8.9
71.48460	6.9
71.48856	7.7
73.02911	15.1
79.05474	14.7
81.03414	61.5
81.07053	25.2
83.04988	53.6
83.08622	41.0
83.91176	5.0
85.02909	100.0
87.00831	31.9
91.03961	5.5
91.05484	22.8
93.07050	24.0
95.04973	19.5
95.08599	22.0
97.02892	50.3
97.06527	35.2
97.10183	6.5
99.04451	20.7
103.03952	33.8
105.01870	18.8
105.06994	10.1
107.04953	9.8
107.08595	26.4
109.02901	36.9
109.06539	11.6
109.10123	11.5
111.04477	4.7
111.08076	12.6
113.06033	4.7
119.04939	9.3
119.08591	6.1
121.06482	26.6
121.10146	22.4
123.04414	15.7
123.08052	25.7
123.11715	6.4
125.06041	23.4
125.09634	14.0
127.03908	53.9
129.01828	12.6
133.02869	6.2
133.10143	14.5
135.11699	6.9
137.02339	12.6
137.03482	4.4
137.04587	14.3
137.05975	10.5
139.11177	44.3
145.04959	9.7
145.10094	5.6
147.02898	16.2
147.04413	25.6
147.08063	10.3
147.11742	8.1
148.04752	14.6
149.04964	7.1
149.06024	20.1
149.09622	15.5
151.11194	16.7
152.05748	10.3
153.09102	7.4
159.02858	11.6
161.02353	7.4
162.03139	9.4
163.03912	26.3
163.07558	8.9
163.11215	5.9
165.07042	5.9
167.07024	13.7
169.12256	9.7
173.02339	11.3
181.12231	82.6
185.08070	6.1
189.03976	33.7
191.14323	9.9
195.10197	11.7
209.08215	5.4
209.15326	25.3
221.05928	16.5
225.05434	6.7
226.06261	7.6
229.15494	16.1
231.05034	7.4
233.15399	13.9
249.05653	8.0
275.16452	7.6
295.05917	21.3
299.16473	5.4
322.11984	14.3
323.05505	26.9
327.56253	5.6
337.14243	11.5
346.11102	5.4
381.15231	6.1
397.16690	5.0
399.16617	7.0
413.17850	13.1
441.15475	10.4
457.15549	11.5
457.24149	17.3
458.17712	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	457.207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.3
55.01863	0.4
55.05497	0.3
57.03436	0.7
67.05511	1.0
68.99789	0.9
69.03423	2.5
69.07058	0.9
69.92870	0.9
69.93288	1.4
70.06600	2.2
73.02916	1.0
77.03942	0.5
79.05494	6.4
81.03411	1.9
81.07066	4.6
84.08139	0.5
85.02913	3.4
85.06525	0.3
86.09709	0.5
87.00828	1.6
89.02399	5.2
89.06036	3.1
91.05468	3.1
93.07043	6.2
95.04964	1.0
95.08598	1.2
97.02876	1.5
97.06524	0.9
99.04452	1.0
103.05493	1.2
105.01881	0.6
105.03391	0.4
105.07037	11.8
106.07841	0.7
107.04967	3.3
107.08604	1.1
109.02882	1.5
109.06528	4.3
113.02357	3.7
116.06312	0.4
119.04980	0.6
119.08575	3.2
121.06526	3.6
121.10149	15.3
123.04461	1.3
123.08073	1.6
123.11690	2.7
127.03944	1.8
131.03415	7.6
131.04977	0.4
131.08577	1.3
133.02840	0.8
133.07614	1.3
133.08621	1.3
135.08186	0.5
137.02374	0.6
137.05980	1.1
145.04950	0.5
147.04468	0.5
149.09628	100.0
150.09967	1.6
151.07590	0.6
151.11192	4.2
161.02336	0.5
161.05980	0.5
162.03140	0.5
163.03925	3.8
164.07207	0.4
165.07025	0.9
167.10664	1.3
173.02393	1.2
173.13235	1.0
175.06093	0.6
175.07574	0.7
177.07884	0.8
191.14314	16.5
192.14677	0.4
193.06587	0.4
193.15839	0.6
195.08154	0.5
209.15413	2.0
213.12144	0.4
221.06010	1.4
226.25433	0.4
239.07094	0.7
248.09175	0.9
249.05534	1.7
267.06427	0.8
275.18420	0.4
279.06100	0.4
281.11639	0.4
295.06030	2.8
302.17523	0.4
322.12036	0.5
323.05466	3.7
323.08841	0.6
324.05408	0.5
325.07068	0.7
337.14328	0.9
379.08078	0.6
395.17493	0.4
395.22476	2.4
397.16501	1.1
413.18069	0.5
414.19208	1.1
439.25290	0.7
441.15668	0.6
457.17102	1.5
457.34146	0.4
458.18155	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	1.2
51.92561	1.0
53.03954	5.7
55.01871	2.3
55.05505	3.0
55.57812	1.2
57.07082	1.5
61.02924	1.9
63.40036	1.2
66.04740	1.2
67.05500	1.9
68.99807	1.6
69.03439	9.3
69.07074	6.2
69.69193	7.6
70.06611	2.1
71.04985	2.4
73.02933	1.6
73.80682	1.1
74.09355	1.0
79.05493	25.6
79.60477	1.0
81.03429	7.5
81.07059	54.9
83.04980	4.1
83.08626	5.3
85.02910	15.9
85.06541	1.6
86.09756	1.2
87.00813	5.8
91.05476	2.7
93.07064	8.0
95.04958	6.0
95.08611	3.9
97.02892	5.2
97.06541	5.2
99.04462	2.7
105.01870	2.1
105.07050	5.1
107.08608	7.4
109.02898	8.3
109.06523	100.0
109.10148	5.8
111.08090	3.4
113.09645	1.2
115.03931	1.7
117.01817	1.6
117.07047	1.7
119.08577	4.5
121.06496	2.6
121.10157	5.7
123.08074	4.1
123.11726	4.5
127.03936	12.3
129.01811	1.7
131.08572	4.7
133.10123	13.9
135.08080	6.3
137.05873	1.3
138.50970	1.2
139.11166	1.9
145.04929	2.6
145.10143	3.0
147.07990	1.3
147.11720	2.3
149.13287	6.5
151.07664	1.2
151.11137	1.3
153.09109	4.5
159.02805	2.0
163.03925	1.3
167.14294	3.7
173.13254	8.6
189.12875	1.4
191.14323	28.4
209.15363	18.4
231.04927	2.1
295.06067	3.2
295.18994	2.0
323.05402	3.4
413.22028	1.6
439.19534	1.8
457.20471	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.1
57.03445	2.5
65.03934	2.6
68.99780	3.8
69.03426	12.9
69.08900	2.2
71.16091	4.2
71.16431	2.9
74.02457	10.5
81.03416	11.1
85.02908	26.3
87.00808	9.7
91.05454	3.4
92.04997	3.0
94.06573	92.2
97.02895	16.5
99.00817	12.6
99.04462	4.3
104.05002	6.0
105.01836	3.7
109.02888	13.4
110.06091	5.0
113.02387	2.9
115.03909	2.7
115.05435	2.9
117.05756	2.9
118.06548	38.7
120.04474	42.1
124.26569	2.1
124.27670	2.0
126.27108	2.1
127.03928	17.1
130.06442	4.9
131.04883	2.0
132.04463	8.8
132.08064	8.6
134.05991	2.6
136.07581	56.0
142.06555	3.4
144.08072	2.9
145.05090	2.3
146.04863	4.2
146.06023	79.0
150.05516	21.1
156.08098	5.9
158.06024	4.5
158.94487	2.3
159.06673	2.2
160.07568	9.3
162.05453	2.2
163.03949	5.6
163.08681	10.1
164.07062	3.8
170.06009	23.2
174.05528	25.9
178.08633	6.8
180.08179	3.7
183.06856	4.2
184.07582	18.0
186.05453	3.4
188.07095	10.9
190.05019	5.1
192.06563	100.0
196.07657	3.3
198.05501	4.0
198.09155	6.9
202.08652	3.4
208.07581	7.1
209.09229	88.1
210.08971	2.3
212.07083	2.8
216.06538	4.1
221.05951	2.7
226.08615	9.8
234.07645	15.8
236.07054	5.5
238.08636	26.2
249.05626	2.8
251.10237	7.0
254.08115	5.8
272.02344	2.2
282.07635	19.2
286.10699	3.0
295.05994	3.0
304.06741	2.4
323.05551	2.5
330.09592	2.8
348.10788	6.9
366.11661	3.0
384.12692	4.2
384.75598	2.2
386.08609	9.9
404.09772	9.3
421.12256	4.3
422.10767	12.7
439.13257	3.5
443.94293	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1121
Annotation	Flavine mononucleotide (FMN)
Peak:m/z	Relative Intensity
50.09597	1.3
53.03944	4.9
57.03443	8.3
59.05002	3.1
69.03436	14.7
70.06593	9.5
71.05003	7.8
71.48180	1.2
73.02907	4.9
81.03419	22.4
81.97070	1.5
84.04526	2.6
84.08146	10.1
85.02901	1.7
86.09679	3.3
87.04481	1.6
93.07050	1.8
93.14776	1.6
98.98463	14.1
99.04454	12.9
99.16173	1.4
114.09235	1.5
116.07124	1.5
117.05516	8.7
117.21495	1.5
123.04436	5.2
126.09135	2.3
133.02870	3.2
135.04439	1.4
137.02292	2.1
145.02850	1.6
145.07655	2.6
147.04424	2.1
147.09158	2.1
157.06383	1.5
157.07568	2.6
159.09119	4.1
163.03902	9.4
165.06972	3.3
172.08733	24.7
173.02350	8.5
173.07147	5.9
175.08713	2.3
176.07088	2.4
184.08705	2.8
187.03914	1.5
190.09619	1.6
197.06015	3.6
198.06609	9.4
198.10266	2.0
200.08194	5.6
204.10242	1.6
210.96762	1.5
213.01836	3.7
214.09731	3.6
216.07721	21.1
219.07712	2.7
221.06105	9.2
226.09848	2.4
227.07069	3.6
227.11700	1.7
229.08603	2.6
231.02864	2.5
239.07100	3.7
243.08803	46.1
243.11177	3.1
244.07008	1.7
249.05501	10.9
267.06570	2.9
272.10275	1.7
277.05014	3.8
285.09763	2.0
295.06076	19.5
297.09805	2.0
316.12790	2.0
323.05527	12.7
323.11548	2.0
334.09772	3.0
341.06482	2.4
341.12457	9.2
359.13519	43.2
377.14355	3.2
396.09500	11.1
397.07748	1.7
413.18317	2.1
414.10699	13.0
414.18991	8.4
421.09000	7.7
439.10184	100.0
440.10254	2.7
457.11102	41.4
457.17786	11.7
458.11554	1.9
458.17877	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
67.11541	1.0
70.06579	1.8
70.99991	2.3
74.76070	0.9
79.31049	0.9
81.03407	1.2
85.30061	0.8
86.09666	0.9
89.03920	1.0
91.05466	1.2
114.04126	1.1
117.03391	1.5
121.02869	1.2
123.04441	4.7
131.04982	1.5
133.02849	4.1
134.03551	1.1
135.04422	2.5
137.02348	9.0
141.07072	1.0
145.02863	1.8
147.04396	2.3
152.93924	0.9
153.07085	1.0
157.02840	1.1
161.02344	4.0
162.03143	1.5
163.03909	15.8
164.04195	1.5
165.06995	12.4
169.06516	1.3
173.02393	8.8
176.06229	1.1
177.07031	1.3
183.08022	1.2
187.03893	3.7
193.06479	8.6
197.06004	2.2
197.23526	0.8
203.03275	1.1
203.05037	1.1
205.06477	2.2
211.07532	3.7
213.01784	2.0
221.05989	38.7
222.06328	1.2
223.07478	1.5
225.05473	4.2
231.02892	3.7
233.06049	1.2
239.07063	7.5
249.05481	55.6
250.06133	4.3
251.06990	1.5
253.04938	1.8
263.07153	1.3
266.05685	1.4
267.06567	9.4
277.01913	1.9
277.04965	33.0
278.05762	4.9
279.06577	7.4
280.44168	1.2
281.04465	1.9
295.06018	100.0
296.06375	3.1
297.07532	1.5
305.04547	1.9
323.05515	72.1
324.05957	1.4
325.06891	1.7
337.06897	1.8
339.04834	1.1
341.06567	22.4
379.08173	1.6
413.14154	1.2
439.10278	2.1
457.07495	26.7
457.17212	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	455.3522
Annotation	Krukovine A
Peak:m/z	Relative Intensity
55.05515	4.6
57.07079	5.4
67.05498	7.3
69.07070	7.1
69.79733	4.4
71.04973	1.0
71.08620	3.4
74.15817	0.7
78.49034	0.7
79.05466	4.6
81.07060	18.4
83.04993	1.4
83.08621	4.7
85.06549	1.1
85.10189	1.0
88.99994	0.7
91.05492	3.9
93.07051	9.7
95.04977	1.9
95.08611	30.0
97.06547	2.0
97.10179	2.3
98.21491	0.9
105.07031	8.0
107.04955	1.0
107.08599	12.7
109.06513	1.7
109.10165	13.8
119.08569	10.3
121.06499	1.9
121.10146	13.4
123.08064	1.8
123.11702	8.3
125.09657	0.9
128.53467	0.8
129.07013	0.9
131.08588	2.8
132.04756	1.0
133.06628	0.8
133.10127	7.3
135.08055	2.2
135.11682	8.3
137.09586	0.9
137.13281	5.7
139.07494	1.0
143.08556	1.5
145.10155	5.5
147.08061	2.2
147.11674	6.2
149.09615	2.9
149.13280	4.7
151.14825	1.6
157.10146	2.9
159.11678	4.2
161.09641	2.1
161.13246	4.9
163.11169	1.2
163.14818	3.9
171.11771	2.1
173.09726	1.3
173.13287	2.4
175.11250	2.2
175.14821	4.7
177.09134	0.8
177.12798	1.0
177.16415	2.3
183.11633	0.8
185.13286	1.5
187.14856	2.8
189.12819	1.5
189.16409	3.5
191.14288	1.8
191.17961	5.5
197.13225	2.0
199.14871	1.7
201.12852	1.3
201.16429	3.1
203.14357	3.2
203.18066	1.3
205.15892	3.4
205.19621	2.0
215.14346	1.7
215.17899	1.1
217.15880	1.9
217.19327	1.6
219.17477	2.8
221.15436	1.7
227.18198	0.9
229.15974	1.7
233.15544	1.8
235.16895	1.0
239.23698	2.6
243.17433	1.0
243.21214	0.9
245.15388	1.5
251.16354	6.0
257.19043	3.4
264.64493	0.9
264.67715	0.9
271.20691	1.4
299.20157	2.2
308.62384	0.8
311.29471	1.8
315.22934	0.9
317.20956	2.1
393.31357	0.8
395.33096	5.9
409.34839	3.9
419.33081	2.1
437.34140	15.7
455.35217	100.0
456.36053	4.1
456.41602	0.8
463.05844	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.9
55.05517	8.6
57.07082	2.4
59.04997	5.7
60.11422	1.5
61.39341	1.5
63.68172	1.5
67.05501	9.7
68.52834	1.3
69.07067	11.8
69.80604	9.1
79.05509	9.5
81.07067	14.5
83.08614	5.9
83.57040	1.4
91.05465	9.2
93.07055	16.9
95.08613	46.3
97.10184	2.3
105.07040	23.5
107.08598	47.0
109.10149	23.5
111.08076	2.5
117.07019	2.7
119.08585	48.6
121.06491	2.0
121.10143	32.4
123.08109	1.9
123.11677	8.2
131.08548	5.3
133.10139	39.3
135.08012	3.4
135.11699	14.7
137.09560	1.5
137.13266	2.3
145.10124	25.7
147.11696	30.5
149.09619	1.7
149.13286	8.8
149.24081	1.6
153.09123	4.9
157.10150	3.4
158.10942	2.0
159.11710	18.3
161.09529	2.2
161.13272	21.0
163.11189	16.3
163.14842	12.7
167.10699	3.6
171.11749	1.6
173.13275	6.6
175.14841	12.5
177.12782	1.7
177.16379	22.7
178.81339	1.3
179.14282	2.2
185.13281	1.4
187.14838	36.3
189.16389	61.2
191.14323	1.7
191.17976	7.0
201.16405	4.1
203.17972	65.8
205.15889	100.0
205.19443	13.0
207.17426	14.7
210.08305	1.6
213.16365	4.2
215.17830	2.2
217.15895	1.9
221.19049	4.0
223.17001	2.8
231.17484	4.0
235.17030	1.9
237.84738	1.5
249.18463	15.4
278.05679	1.7
285.25702	1.7
295.24146	3.3
313.25433	8.1
391.33627	2.1
409.34714	27.5
410.34845	1.7
437.34293	28.4
450.61499	1.6
455.30148	2.3
455.35138	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	455.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	6.5
59.05001	2.3
67.05495	8.7
69.07069	12.3
69.37967	8.6
73.19753	1.2
79.05491	9.8
81.07048	16.5
83.08634	5.6
91.05475	7.0
93.07048	16.2
95.04951	1.5
95.08607	36.7
97.06527	3.6
97.10165	2.9
99.08113	1.5
103.69460	0.9
105.07027	14.6
107.08595	39.7
109.06541	1.0
109.10167	19.3
111.08075	1.4
115.07560	1.8
117.07004	2.4
119.08581	22.6
121.10140	28.3
123.08042	1.4
123.11698	6.3
131.08556	6.0
133.06538	1.4
133.10139	20.9
135.08058	2.1
135.11693	14.9
137.13248	1.6
143.08585	2.3
145.10120	14.7
147.08076	1.3
147.11674	11.6
149.09657	2.0
149.13264	8.7
153.09076	2.0
157.10155	3.1
159.08102	1.3
159.11674	8.8
161.13269	10.8
163.07521	1.5
163.11198	10.7
163.14821	7.6
167.10680	1.7
171.11757	1.2
172.12498	1.4
173.13255	3.5
175.11212	1.3
175.14825	15.6
177.12775	1.2
177.16391	27.5
179.14227	1.4
185.13255	2.4
187.14818	11.9
189.16354	11.2
191.17862	4.7
197.13303	1.1
199.14821	1.0
201.16400	5.0
203.17958	25.4
205.15877	100.0
205.19513	5.4
206.16182	1.5
207.17471	4.0
213.16473	1.9
215.17963	4.9
217.15848	1.8
217.19598	1.3
219.17473	2.8
227.18004	1.7
229.19412	1.5
231.17444	2.6
243.17480	1.4
243.21144	1.6
249.18459	6.7
285.25876	1.5
295.24243	3.7
313.25198	7.4
339.26862	1.8
341.24759	20.7
367.22934	2.1
391.33807	2.6
409.34662	32.3
410.35049	1.4
411.25153	2.0
419.29373	2.3
437.29575	2.5
437.35141	7.5
455.21829	3.0
455.30249	1.5
455.36127	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	455.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02354	2.3
51.77564	2.6
53.03944	5.8
55.01870	3.5
55.05519	24.1
57.07072	7.5
57.32944	2.5
59.04977	4.1
65.03941	2.7
67.05506	33.6
69.03432	5.0
69.07070	29.1
69.24973	17.8
69.25378	6.3
71.04986	5.3
79.05496	31.6
80.78886	2.5
81.03423	3.7
81.07059	77.6
83.04990	4.9
83.08620	12.1
85.02920	4.2
85.06548	5.5
91.05483	34.9
93.07050	60.4
95.04958	4.5
95.08609	100.0
97.02887	2.8
97.06551	18.0
97.10188	8.6
105.07030	70.3
106.06590	4.0
106.07294	3.4
107.08599	78.6
109.06514	5.1
109.10163	62.7
111.08086	10.6
117.07011	10.6
119.08588	74.8
121.10145	69.6
121.74541	2.5
122.09662	7.0
123.08129	5.5
123.11694	31.1
125.09644	6.5
129.07024	5.2
131.08577	32.6
133.10141	52.1
135.08075	5.7
135.11700	56.0
137.09633	12.6
137.13272	18.2
143.08560	8.9
144.09320	2.7
145.10124	62.1
147.11696	57.4
149.05959	2.5
149.09622	11.6
149.13255	33.3
151.11212	5.8
151.14757	3.8
155.08598	3.1
157.10150	9.9
159.11697	45.9
161.09708	4.0
161.13260	65.6
163.11180	3.1
163.14839	17.0
165.09123	27.1
171.11670	12.8
173.13257	19.9
175.11186	3.7
175.14821	24.6
177.12770	3.6
177.16461	12.8
179.14345	6.6
183.11659	5.9
185.13249	10.3
187.14803	18.9
189.12712	3.8
189.16383	40.0
191.10724	3.2
191.17960	36.4
193.12230	3.4
193.15887	4.2
199.14853	9.5
201.16383	32.6
203.14307	9.4
203.17963	17.3
205.15804	15.1
205.19537	9.6
207.13837	5.8
207.17442	16.0
211.14742	4.4
213.16386	6.1
215.18008	11.8
217.16026	7.1
217.19493	12.6
219.17448	51.1
227.17987	7.1
229.15819	3.8
229.19463	8.0
231.21094	8.5
239.17882	3.3
247.20683	4.3
249.09073	2.8
255.21092	4.2
273.22028	6.3
275.23566	3.3
298.15289	3.4
303.23102	2.8
316.16605	3.3
342.02243	3.0
351.30591	5.7
391.33746	4.3
409.34747	51.6
427.35672	5.2
437.34464	15.6
455.15137	3.7
455.35449	78.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3523
Annotation	Lansionic acid
Peak:m/z	Relative Intensity
53.03952	4.4
54.07390	2.1
55.05505	18.1
57.07085	6.6
59.05014	6.1
65.03942	3.6
67.05511	37.5
69.03431	4.2
69.07067	28.0
71.04999	7.1
71.48892	3.9
72.13133	2.1
75.29881	2.1
79.01945	2.5
79.05495	33.2
81.03429	6.9
81.07060	75.4
83.08624	13.6
85.02918	3.3
85.06555	5.6
87.00857	2.5
91.05486	31.8
93.07047	58.9
95.04990	5.5
95.08610	100.0
97.02866	2.6
97.06541	18.2
97.10181	6.1
99.04428	2.3
99.08152	3.2
105.07034	65.4
107.08599	76.0
107.09313	4.2
109.06553	4.7
109.10162	50.4
111.08123	9.3
117.07005	12.0
119.08582	65.0
121.06614	3.4
121.10150	67.0
122.09660	7.3
123.08097	5.0
123.11716	31.6
125.09662	5.9
127.03934	4.9
129.07051	5.7
130.07825	3.2
131.07045	4.9
131.08568	39.7
132.95898	2.6
133.10138	57.2
135.08113	3.4
135.11693	52.7
137.09627	13.0
137.13263	15.6
143.08609	10.0
145.10138	56.8
147.11697	50.4
147.12790	4.1
149.09676	9.2
149.13263	35.9
151.11232	8.2
151.14868	2.7
153.09203	5.2
155.08606	4.8
157.10201	14.3
159.11694	46.9
159.12880	3.6
161.09756	3.3
161.13266	74.5
163.03960	3.3
163.11185	3.9
163.14842	21.2
165.09132	32.0
167.10754	3.8
171.08240	2.6
171.11716	12.5
173.13287	22.0
174.96973	3.9
175.11339	2.7
175.14835	21.7
177.12823	3.2
177.16463	9.4
179.14395	7.2
183.11722	4.2
185.13303	12.5
187.14841	21.4
189.12836	4.8
189.16380	40.3
191.10762	3.0
191.14290	3.0
191.17973	39.1
193.16016	2.7
199.14874	9.2
201.16385	36.6
203.14458	9.6
203.17984	18.7
205.16006	10.5
205.19624	7.1
207.13808	4.5
207.17468	18.8
209.13235	2.6
211.14879	4.3
213.16478	7.3
215.14236	3.0
215.18018	12.4
217.15958	8.4
217.19595	10.3
219.13925	2.4
219.17456	43.7
219.19360	3.3
221.15472	2.9
225.16505	5.1
227.18027	6.0
229.16048	2.5
229.19592	8.4
231.17487	3.6
231.21136	10.8
233.15532	3.0
233.19075	4.7
241.19582	3.6
243.21100	5.4
245.09317	3.0
245.19206	2.9
247.17128	3.5
247.20555	4.6
253.19499	3.7
259.20798	2.7
261.22412	2.9
273.22174	5.6
285.22137	3.4
287.23666	2.8
298.15353	2.7
301.21542	2.8
305.18860	2.4
313.25031	2.6
351.30551	5.8
391.33780	3.1
409.34674	57.1
419.33618	3.1
427.36304	2.8
428.22177	3.1
437.34598	17.4
455.21326	2.8
455.35406	85.7
456.35919	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	455.352
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81496	0.8
53.03914	1.5
55.01829	1.7
55.05462	6.3
57.03381	2.8
57.07070	3.9
67.05510	11.3
69.03382	1.6
69.07072	11.7
70.03992	1.9
70.04375	1.3
71.08584	2.1
79.05489	10.0
81.07058	25.7
83.04941	1.2
83.08631	6.2
84.47000	0.8
85.06482	1.7
91.05486	14.7
93.07044	17.2
95.04898	2.2
95.08611	31.0
97.06478	1.9
97.10168	4.7
99.08059	1.1
103.05412	1.2
105.07027	20.3
107.04908	1.0
107.08598	28.6
109.06458	2.1
109.09491	1.1
109.10159	13.3
110.98826	0.7
111.08035	1.9
113.00023	41.8
117.07014	4.4
119.08585	24.4
121.06453	3.2
121.09371	1.1
121.10144	16.3
123.08015	1.9
123.11720	7.2
125.05957	0.9
125.09599	1.0
128.06180	1.0
129.06956	2.5
131.08586	10.2
132.14363	0.8
133.10133	23.0
135.08076	6.5
135.11703	9.4
137.09593	1.5
137.13214	3.0
142.07698	1.0
143.08571	3.9
145.10112	8.7
147.08087	1.8
147.11696	15.4
149.09651	5.9
149.13268	13.1
151.11163	1.9
157.10135	5.4
159.08002	1.3
159.11635	3.6
161.09570	2.2
161.13257	8.1
163.07576	6.3
163.11131	2.0
163.14833	17.2
165.12668	1.1
169.02614	33.2
169.10085	2.0
171.11696	5.4
173.09612	1.4
173.13306	3.5
175.11147	1.5
175.14853	5.8
177.09026	1.3
177.12672	1.1
177.15012	1.2
177.16403	13.3
179.14272	0.8
183.11736	0.9
185.13290	3.8
187.11212	1.2
187.14780	5.1
189.12755	2.0
189.16389	28.1
191.18021	1.5
197.13307	1.2
199.14812	3.1
201.12900	1.1
201.16426	3.1
203.17969	3.9
205.15907	9.2
205.19493	1.2
207.17448	100.0
208.17816	2.0
211.14914	1.2
213.16357	1.7
215.14285	3.0
223.03658	1.4
227.18037	1.7
229.19464	0.9
231.17479	1.7
233.15367	54.6
241.19376	0.8
243.17493	1.3
245.18994	1.3
245.22716	3.0
249.18573	2.5
251.16382	3.5
259.24304	2.2
261.18460	4.8
269.22632	11.1
270.23041	0.9
287.23691	18.3
299.20114	1.2
315.23093	2.0
346.77838	0.8
419.33398	1.3
425.34396	2.2
437.34427	8.1
455.25333	1.4
455.35455	41.1
456.35938	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.7
55.01860	1.1
55.05506	4.3
57.03431	0.9
57.07054	1.0
59.04990	0.8
61.02925	0.6
67.05505	4.2
69.03400	1.5
69.06750	0.5
69.07070	8.3
70.62543	1.6
70.62877	0.6
71.18717	0.7
79.05502	6.1
81.07067	9.9
82.48510	0.6
83.04974	1.0
83.08611	3.3
85.06517	1.3
88.23428	0.7
91.05489	8.0
93.06508	0.7
93.07050	12.7
95.04936	1.5
95.08612	15.8
97.06506	2.3
97.10150	1.6
105.07031	13.1
107.04932	1.5
107.08603	28.7
109.06480	2.3
109.09486	0.7
109.10164	7.7
111.08044	1.5
117.06992	2.0
119.08594	28.6
121.06505	3.5
121.09338	1.1
121.10142	13.3
123.08054	1.9
123.11707	4.6
125.05971	1.4
129.07031	0.9
131.08585	5.4
133.10139	25.5
135.08089	6.3
135.11696	27.8
137.05988	0.9
137.09595	2.0
137.13243	1.1
139.11137	1.3
143.08572	1.8
145.10150	6.6
147.08052	0.8
147.11705	15.0
149.09633	5.7
149.13271	5.1
151.11139	3.8
157.10123	2.3
159.11693	2.4
161.09622	1.1
161.13261	6.4
163.07538	9.2
163.11166	1.6
163.14833	21.0
165.12833	1.0
167.08527	0.7
171.11713	1.9
173.09605	2.5
173.13220	1.2
175.14790	2.1
177.12761	1.1
177.16373	2.2
185.13289	0.9
186.66130	0.6
187.14836	4.6
189.16396	67.3
191.10619	1.2
195.11723	0.8
197.13255	2.0
201.16417	0.8
205.15895	10.9
207.17458	100.0
208.17915	1.1
211.14764	0.7
213.16339	2.5
215.14352	2.0
231.17480	0.8
233.15381	64.4
234.15639	0.9
237.16328	0.7
243.17419	1.0
249.18520	2.5
251.16409	6.9
261.18539	2.9
288.53964	0.7
303.23376	1.1
303.85709	0.6
315.23206	2.0
419.33392	1.0
437.34421	3.8
455.35303	56.6
456.35825	1.5
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	Machaerinic acid lactone
Peak:m/z	Relative Intensity
53.03952	0.8
55.05513	3.6
57.07079	2.9
67.05502	5.0
69.07070	7.9
69.45287	2.2
69.45696	1.2
79.05497	4.4
81.07066	9.6
83.04972	1.0
83.08627	3.6
91.05463	3.1
92.31228	0.5
93.07049	7.7
95.08614	22.9
97.06543	2.8
97.10161	1.7
105.07034	4.6
107.08604	12.4
109.06512	0.6
109.10162	15.0
119.08573	7.2
121.06483	1.1
121.07322	0.6
121.10149	13.8
123.08055	0.5
123.11710	4.4
123.48569	0.4
123.70734	0.4
131.08594	1.6
133.06491	5.5
133.10136	4.9
134.06764	0.5
134.73961	0.5
135.08073	5.2
135.10710	0.9
135.11703	16.0
137.09560	0.7
137.13257	3.3
139.07527	0.6
139.11192	0.6
143.08568	0.6
145.10146	1.9
147.08073	3.7
147.11674	2.8
149.13269	8.7
155.08575	0.8
157.10187	1.5
159.11707	2.1
161.09631	5.5
161.13287	1.8
163.07498	1.0
163.11201	0.6
163.14841	1.2
165.09140	0.7
171.11699	0.9
173.09648	1.4
173.13292	1.2
175.07530	0.6
175.11212	0.8
175.14835	2.0
177.09184	0.9
177.16386	1.1
183.11810	0.6
185.13318	1.4
187.14819	1.3
189.09024	0.6
189.12775	1.0
189.16400	1.4
191.17958	100.0
192.18320	1.7
199.11038	0.6
201.16469	0.7
203.14362	2.1
203.18033	0.7
205.12457	0.6
213.16374	0.5
215.14383	0.7
217.15828	1.4
219.17392	0.8
221.15349	0.7
227.17998	0.8
229.15985	1.1
231.13783	4.7
233.15410	0.7
241.15936	1.6
245.15244	0.5
247.16927	2.4
249.14880	20.5
259.16891	0.9
285.18539	0.6
285.22424	0.6
301.21771	0.7
319.22882	0.6
331.22772	0.6
369.28052	0.8
391.33386	1.0
409.34491	0.9
419.33179	2.4
437.34259	12.1
455.29199	8.2
455.35211	28.0
456.35498	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3521
Annotation	Krukovine A
Peak:m/z	Relative Intensity
53.03948	2.2
55.05507	6.8
57.07067	6.1
67.05506	9.6
69.03405	1.4
69.07073	14.9
71.08620	3.9
71.41564	1.9
74.64095	1.7
78.48631	1.5
79.05510	4.5
81.07063	23.7
83.04980	8.6
83.08625	7.3
91.05493	4.3
93.07044	14.2
95.04992	3.8
95.08616	40.0
97.06525	3.2
97.10162	3.5
105.06351	2.3
105.07020	13.2
107.08601	21.2
109.06438	1.8
109.10149	16.9
119.08601	14.6
121.06511	2.8
121.10147	19.2
123.08050	2.0
123.11703	14.5
131.08580	4.5
133.10144	12.6
135.08026	3.5
135.11711	12.4
137.13232	9.5
145.10114	7.8
147.08067	2.7
147.11665	5.3
149.13205	8.2
150.78317	1.5
151.11143	2.2
157.10172	4.5
159.11703	6.3
161.09575	2.7
161.13271	5.7
163.07541	4.4
163.11215	1.7
163.14853	6.7
171.11743	3.3
173.09700	2.1
173.13298	3.3
175.11208	2.5
175.14827	10.6
177.12744	2.2
177.16394	5.9
185.13297	2.2
185.82024	1.6
187.11263	2.0
187.14853	5.0
189.12790	2.5
189.16370	7.5
191.14444	1.9
191.17929	9.6
197.13315	1.6
199.14935	2.4
201.12842	5.0
201.16457	2.9
203.14299	4.8
205.15889	5.0
205.19566	6.7
215.14436	1.9
215.17828	2.1
217.15884	5.9
219.17467	6.8
221.15363	2.3
229.19533	2.9
233.15460	9.5
233.19017	3.6
235.16969	2.6
239.23744	2.2
245.15398	3.3
245.19037	4.5
247.17010	3.4
251.16422	2.4
257.19003	13.5
299.20084	6.1
301.21777	1.6
311.29663	3.2
317.21228	3.3
323.02734	1.9
341.28494	2.0
367.26364	3.9
395.33099	19.9
409.34729	3.5
419.32965	3.4
437.34167	37.9
455.35229	100.0
456.35489	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	455.3523
Annotation	Embelinone
Peak:m/z	Relative Intensity
53.03950	0.4
53.57926	0.4
54.69851	0.5
55.01867	2.2
55.05511	2.6
57.07070	1.0
57.82254	0.4
58.85125	0.4
67.05511	4.2
69.03452	0.7
69.07074	15.8
69.23415	0.5
69.23730	4.3
70.41418	0.4
71.04986	0.4
72.04531	0.6
79.05495	7.0
79.72484	0.4
81.07057	8.0
83.04962	0.5
83.08633	2.1
88.02246	0.7
91.05490	1.8
93.07032	4.0
95.04969	1.3
95.08609	12.0
97.06538	97.6
97.10181	1.4
104.41312	0.5
105.07015	2.9
107.08598	6.8
109.06535	0.9
109.10156	6.4
111.08076	1.7
119.08588	4.7
121.06511	1.0
121.10157	5.0
123.08087	1.1
123.11701	3.2
131.08606	1.3
133.10143	3.3
135.08076	1.9
135.11710	3.8
137.09625	1.0
137.13254	3.3
139.11198	0.5
143.08542	0.8
145.10136	2.8
147.08006	0.5
147.11678	2.6
149.09598	1.2
149.13242	2.7
151.07576	1.3
151.11194	1.4
151.14807	0.8
153.09122	0.8
155.08598	0.5
156.25963	0.4
157.10162	1.2
159.11719	2.0
161.09567	1.3
161.13303	1.5
163.07501	0.5
163.11180	1.7
163.14896	1.9
165.12691	0.7
171.11674	0.9
173.09682	0.9
173.13289	1.4
175.11169	1.0
175.14847	1.6
177.12677	0.6
177.16389	1.5
179.10701	1.5
183.11685	0.6
185.13219	0.8
187.14896	1.4
189.12865	0.8
189.16417	1.6
191.14363	0.5
191.17947	9.3
193.15942	0.6
199.14847	1.1
201.16499	1.1
203.14378	1.0
203.17995	1.3
205.15869	1.4
205.19611	0.9
213.16422	0.9
215.14497	0.5
215.18150	0.6
217.15891	1.5
219.17346	1.0
223.14993	0.5
225.16396	0.6
227.17935	0.4
231.13831	0.7
231.17470	0.8
233.15353	0.9
235.16934	1.0
245.19070	0.8
331.26291	1.1
341.28458	1.6
357.27872	1.8
359.29489	8.4
395.33685	0.6
409.34863	2.1
419.33206	1.2
427.35632	0.7
437.34232	7.2
455.35226	100.0
456.35632	3.2
456.41095	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2278
Annotation	Hypoloside A
Peak:m/z	Relative Intensity
53.03932	7.4
55.01867	4.3
55.05510	13.0
57.03427	5.0
61.02924	3.9
65.03928	2.3
67.05509	12.5
68.99786	2.5
69.03437	22.5
69.07059	3.9
69.71220	5.6
69.71629	2.9
71.05011	3.0
73.02927	8.1
75.63161	1.8
79.05489	7.6
81.03424	26.5
81.07057	26.8
83.04975	2.2
83.08624	3.6
85.02908	47.8
87.00830	16.4
87.04462	1.7
91.03924	2.6
91.05482	20.9
93.07042	18.7
95.04966	2.6
95.08610	41.6
97.02892	15.1
97.06515	5.8
99.04459	10.2
105.01859	11.2
105.07034	41.0
107.08589	20.1
109.02882	22.9
109.06522	2.2
109.10157	17.0
111.04433	2.6
114.03673	1.7
115.03944	3.3
117.01863	3.5
117.07024	4.1
119.08588	48.3
121.10139	8.8
122.09694	3.8
123.08041	2.4
123.10032	2.6
123.11771	2.4
127.03919	36.2
129.01871	3.5
129.05501	2.1
129.06956	2.3
131.08583	9.2
133.09145	2.6
133.10129	39.6
135.04402	3.7
135.11699	4.2
137.05933	3.1
137.09621	3.3
139.20590	2.0
143.08585	3.0
145.04959	14.5
145.10112	10.3
147.02928	1.9
147.04410	5.1
147.11682	27.6
149.02373	12.1
149.09302	1.7
149.13274	4.4
159.02898	10.5
159.11707	3.8
161.09595	2.4
161.13281	12.1
163.03912	10.2
163.14844	2.4
165.12721	5.9
167.17987	1.8
169.10153	1.9
175.07599	2.3
175.14795	2.1
179.96600	1.8
184.17581	1.6
185.13182	3.1
187.14801	8.0
189.16393	100.0
190.16721	3.1
191.17934	10.5
199.14883	2.6
201.16431	2.1
203.07040	6.0
205.15828	5.3
207.13832	3.5
207.17445	16.1
213.16321	3.0
217.15866	1.7
219.17352	1.8
231.05003	6.0
304.61801	1.7
314.37216	1.7
315.19275	1.8
334.55270	2.2
355.90186	1.8
401.19775	2.7
419.20587	3.0
455.14594	9.0
455.22281	1.8
471.48169	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.8
55.01861	6.1
55.05520	10.9
56.50993	1.7
56.65439	1.6
57.03434	7.5
61.02928	2.6
65.03941	2.6
67.05500	12.8
69.03437	28.2
69.07070	7.1
70.06596	3.1
71.04994	4.6
71.48757	2.1
73.02922	5.0
77.28452	1.5
79.05511	13.1
81.03420	24.2
81.07056	30.1
83.04979	1.8
83.08619	3.1
85.02908	47.4
87.00832	16.9
90.58430	1.4
91.05489	20.8
93.07043	20.6
95.04964	2.6
95.08611	41.7
97.02900	19.1
97.06523	5.6
99.04454	9.2
105.01857	11.4
105.07034	50.7
106.06596	1.8
107.08591	18.7
109.02892	25.8
109.06502	3.4
109.10156	17.1
111.04456	2.9
117.01830	2.2
117.07020	4.3
119.04926	2.6
119.08585	47.6
121.10167	13.6
122.09669	3.7
123.08055	1.8
123.11707	3.0
127.03923	37.2
128.06242	1.7
129.01817	3.1
129.05434	1.8
129.07018	1.7
131.08585	9.3
133.10129	41.3
135.04419	2.6
135.11711	5.9
137.09560	1.8
142.03224	3.4
143.08572	2.4
145.02869	2.1
145.04959	14.7
145.10179	10.3
147.02972	2.5
147.04424	8.2
147.11699	26.3
149.02353	11.6
149.09700	1.8
149.13319	4.6
157.10179	4.0
159.02893	14.1
159.11694	6.0
161.13257	14.0
163.03917	8.9
163.14842	3.4
164.04243	2.6
165.12733	2.5
171.11789	2.0
173.13304	1.9
175.14848	3.4
178.05023	2.4
187.14850	7.8
189.16386	100.0
191.17929	9.0
199.14824	2.7
201.16368	2.7
203.07010	6.0
205.15909	6.5
207.13991	2.3
207.17441	17.4
213.16466	2.3
217.15860	2.0
231.04990	7.9
243.17470	2.3
245.05981	2.0
273.56470	1.8
275.10968	2.1
283.97064	1.9
297.18567	3.3
297.53305	1.7
315.19482	3.8
356.15424	1.8
401.19498	2.1
409.14713	2.4
419.20789	4.3
455.14935	8.6
455.35156	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	455.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.7
55.01869	6.0
55.05511	8.4
57.03425	5.0
61.02914	2.7
64.08131	2.0
65.03931	2.7
67.05515	16.0
68.99773	2.6
69.03439	19.1
69.07069	9.7
69.20689	15.3
69.21107	6.2
71.04998	4.0
73.02950	4.1
79.05486	12.9
81.03417	21.8
81.07061	35.7
83.08609	6.3
85.02908	35.6
87.00835	17.8
91.05491	23.1
93.07048	29.3
95.04993	3.2
95.08611	54.2
97.02898	14.3
97.06532	3.9
99.04465	7.1
103.03935	2.4
105.01865	7.4
105.07036	48.3
107.08596	28.1
109.02883	20.8
109.06477	2.7
109.10169	27.8
109.95075	2.2
111.08087	2.7
111.11758	2.6
115.18494	2.2
117.01870	4.0
117.06997	4.3
119.08593	56.8
121.10139	17.3
123.08039	4.0
123.11693	4.8
127.03925	29.3
129.07063	3.1
131.08577	12.7
133.10139	42.5
135.08075	2.4
135.11723	10.2
135.12610	2.1
139.11183	2.7
143.08597	3.2
145.04964	8.5
145.10124	14.4
147.11699	29.3
149.13254	9.4
157.10161	3.2
159.02979	13.5
159.11661	12.8
161.13286	20.4
163.14824	7.2
171.11716	4.4
173.13234	4.5
175.14867	6.3
185.13303	2.7
187.14874	8.2
189.16393	100.0
190.16826	2.9
191.17944	8.8
199.14772	3.3
201.16351	6.0
203.14328	2.1
203.17953	3.8
205.15929	6.3
207.17436	18.5
213.16350	2.6
219.17485	8.4
231.04970	5.4
288.98618	2.3
310.06128	2.9
329.43552	2.2
351.84729	2.4
416.97562	5.8
417.96719	2.3
418.97482	5.3
444.44705	2.4
454.95184	21.5
455.35730	11.3
455.94650	4.4
463.28030	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	2.6
57.06805	1.8
57.07079	35.6
67.05470	1.6
67.66451	0.9
69.07070	2.4
71.08239	1.5
71.08633	26.8
73.06557	5.5
80.57943	1.0
80.72227	0.9
81.07072	1.4
83.08622	2.4
85.10193	17.5
87.04456	3.3
89.06035	100.0
93.90551	1.0
95.08556	1.4
97.10155	3.9
98.21513	3.1
99.11724	3.9
107.07075	1.9
107.08557	1.3
112.99976	1.8
117.09144	2.4
123.11601	1.2
132.37288	1.0
133.08606	43.6
148.38347	1.2
155.17970	5.2
169.02577	1.4
175.14796	1.3
177.11229	16.1
195.12236	2.0
199.20595	2.9
221.13785	1.5
239.14803	1.5
243.23189	7.5
283.17529	14.6
287.25882	2.3
393.31586	1.5
437.34711	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	455.1165
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72478	1.0
71.47170	1.4
77.97416	1.0
90.68981	0.9
96.14517	0.9
112.89616	6.7
155.33961	1.1
183.41501	0.9
212.85286	1.4
255.91882	1.0
443.11755	1.1
455.11652	100.0
456.12073	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	454.2928
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
53.56920	0.5
55.05499	2.0
55.82149	0.7
57.03209	0.5
57.03442	4.5
57.07075	21.1
59.04988	0.6
60.08060	0.6
62.06090	23.4
67.05500	3.8
69.06747	0.5
69.07074	4.0
70.93327	1.2
70.93656	1.2
71.08636	15.6
81.07051	5.8
83.08614	4.6
85.10188	7.7
93.61690	0.6
95.08615	8.4
97.10166	1.8
98.98466	5.7
103.07565	0.6
107.08589	1.3
109.10141	3.7
123.11712	1.5
124.01584	1.6
137.13214	1.0
142.02605	0.8
144.72603	0.7
154.96089	0.7
155.01064	6.1
176.61967	0.7
198.05252	1.2
204.18456	0.6
216.06305	1.8
225.18256	0.6
239.23689	1.9
282.27911	11.5
282.30725	1.2
313.27368	100.0
314.27780	1.8
393.24100	5.8
419.60822	0.7
428.98529	0.7
436.28381	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
55.01865	1.7
57.03425	0.6
58.82479	0.5
63.67708	0.5
65.03938	1.3
66.04734	0.7
67.05505	1.3
69.07069	7.2
70.61720	1.2
70.62090	1.2
79.05490	4.2
80.04957	0.8
81.07034	0.7
83.04986	0.7
83.78553	0.6
85.02891	0.6
89.03932	0.6
91.05500	2.6
93.03384	3.8
94.04169	1.2
95.04964	0.8
97.06528	11.2
100.11318	0.6
104.04987	1.5
105.07020	1.1
107.04977	3.0
108.04527	1.2
109.02886	0.6
111.04438	7.6
119.04963	0.8
119.08613	0.6
122.03629	0.8
123.04455	2.7
132.02077	1.0
133.02870	0.9
134.03661	0.8
135.04427	11.7
135.05475	1.0
136.05188	2.4
137.06018	0.9
139.02803	0.9
139.03902	19.8
145.10188	0.8
147.04430	1.1
150.03110	2.5
150.05472	0.8
162.03122	4.4
163.03900	6.8
177.04173	3.0
178.04993	31.9
181.04942	2.3
189.04265	2.5
189.16428	1.0
190.04956	2.5
204.02968	1.3
213.09055	0.8
217.03735	2.4
217.08537	0.8
231.10252	0.9
234.04002	5.2
235.04768	1.5
252.34966	0.6
254.08023	0.8
255.06435	0.7
259.09604	1.5
266.08212	0.7
282.07578	5.8
294.07590	4.2
310.07175	2.6
311.07877	3.9
312.08359	0.8
328.08167	0.9
356.07809	0.9
390.13370	6.0
408.09024	1.1
408.14417	18.1
409.14456	0.9
436.13983	1.6
454.14978	100.0
455.14896	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81469	0.5
55.01865	1.4
55.05516	2.3
57.03439	0.6
58.20676	0.4
65.03926	0.5
67.05494	1.4
69.03428	0.5
69.07075	4.3
70.06574	1.2
71.03819	1.0
78.36723	0.4
79.05501	4.6
81.07050	0.9
82.06599	1.0
83.08619	1.7
84.08162	0.6
84.08997	0.5
85.02895	0.5
86.09760	0.5
91.05480	1.9
93.03399	0.9
93.07051	0.7
94.43587	0.4
95.04946	1.0
97.06536	35.6
99.76205	0.4
100.07626	0.9
100.11259	10.4
101.11599	1.7
104.04998	1.2
105.03374	0.9
105.07068	1.1
107.04993	2.2
108.04481	1.3
110.06013	0.8
111.04452	3.3
117.06999	0.5
119.04929	0.7
121.02897	1.9
123.04456	1.4
128.07079	0.5
131.08588	0.8
132.04408	0.6
133.02893	0.5
133.06503	1.1
135.04420	5.3
136.05188	0.4
137.06004	1.2
139.03902	5.2
139.08693	0.6
140.07094	0.5
146.62358	0.4
147.04387	2.5
149.02380	2.7
150.03137	0.5
150.05463	0.5
151.03990	0.6
159.08037	0.8
161.05972	1.2
162.03131	0.8
163.03883	2.9
163.07542	1.9
177.04170	0.8
177.05534	0.7
178.05005	35.6
179.03348	0.6
181.04922	0.6
182.15395	2.3
183.15739	1.0
184.07527	0.7
189.09207	0.9
190.04965	0.5
191.03413	2.2
191.07050	4.3
204.02943	1.0
209.16516	3.0
210.14912	2.5
210.16858	1.8
211.15256	0.8
211.91879	0.5
217.03630	0.5
226.19229	1.1
227.19571	0.5
231.10168	8.9
233.08133	1.5
234.03996	0.6
235.09686	2.0
236.07034	0.6
254.08220	1.2
255.06548	0.8
264.06641	0.6
282.07574	8.3
294.07657	1.7
308.09329	0.5
310.07144	2.1
311.07886	0.6
312.08633	2.6
364.11896	0.9
373.67218	0.4
381.13205	1.1
387.17911	1.1
408.14420	38.3
409.14801	1.4
410.16046	0.5
435.33313	2.5
436.33450	3.1
453.34424	6.1
453.44339	0.5
454.14990	100.0
454.34698	9.8
455.15076	2.8
478.08185	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3366
Annotation	Stellettin J
Peak:m/z	Relative Intensity
53.03949	1.8
55.05500	9.9
57.07061	3.5
59.04995	1.9
65.03941	2.5
67.05505	20.8
69.07067	12.5
69.49775	9.7
79.05499	13.0
81.07059	38.0
81.24269	1.6
81.32078	1.7
82.08508	1.5
83.04987	9.7
83.08607	4.8
91.05486	16.8
93.07047	29.8
95.04957	8.1
95.08612	74.6
97.06526	4.6
97.10164	3.8
105.07038	55.0
107.08600	57.7
109.06525	4.5
109.10162	65.5
111.08090	3.6
117.07014	5.7
119.08585	56.7
121.06515	3.0
121.10147	35.3
123.08049	4.3
123.11709	12.4
129.06969	3.9
131.08565	28.8
133.10130	50.1
135.08078	2.8
135.11691	19.2
137.13264	3.3
142.07759	2.1
143.08542	7.3
144.09370	2.7
145.10129	51.6
147.11700	41.0
149.13264	14.5
153.09097	3.4
157.10129	8.8
159.11705	26.2
161.09642	4.0
161.13268	18.7
163.11160	3.5
163.14825	9.4
167.10716	2.9
169.10176	1.8
170.10876	2.2
171.11678	7.1
173.13266	26.3
175.11250	5.0
175.14818	51.7
177.12723	3.8
177.16393	15.2
183.11749	2.4
185.13283	10.6
187.14824	41.8
189.16360	19.5
191.14384	4.6
191.17946	9.3
193.12270	4.1
199.14844	9.2
201.16428	11.1
203.14308	13.4
203.17969	54.9
205.15884	24.5
205.19514	22.9
211.14934	2.4
213.16397	6.6
215.18057	4.0
217.15855	3.6
217.19490	2.7
219.17416	4.0
221.15385	6.5
221.19148	2.0
227.18074	2.1
231.17505	4.7
231.21085	6.6
235.16995	3.6
247.17056	6.4
249.18518	6.6
261.18500	3.2
267.20865	1.8
311.23676	3.9
389.32040	3.1
407.33200	15.1
423.32401	2.3
425.34103	9.6
435.32742	6.4
453.33710	100.0
454.34064	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	453.3364
Annotation	Melliferone
Peak:m/z	Relative Intensity
52.79100	1.0
52.91808	1.0
55.05511	7.8
57.07075	4.1
58.89254	1.0
67.05502	9.0
69.03436	1.8
69.07072	13.2
69.32397	2.4
69.32822	6.2
79.05504	7.4
81.07068	21.0
83.04981	4.4
83.08633	7.0
89.06040	1.7
89.11466	0.9
91.05481	5.7
93.07053	13.9
95.04983	1.4
95.08614	60.6
97.06544	1.7
97.10179	3.5
102.86162	1.3
104.53993	0.9
105.07027	7.0
107.04996	1.4
107.07884	1.9
107.08599	29.5
109.06532	1.9
109.10161	21.7
113.06053	1.5
117.06989	1.8
119.08570	8.6
121.06490	3.3
121.10152	39.9
123.08102	1.2
123.11730	5.1
131.08574	6.8
133.10152	5.8
135.08069	6.6
135.11691	10.0
137.09705	1.0
137.13293	4.1
143.08514	2.0
145.10081	5.8
147.08058	3.2
147.11710	4.6
149.09613	6.1
149.13251	5.0
151.11115	1.3
157.10165	1.6
159.08101	2.8
159.11743	3.1
161.09674	7.4
161.13240	2.1
163.07544	9.5
163.11176	2.8
163.14806	12.9
165.12846	1.2
169.10228	1.0
171.11729	3.7
173.09610	3.9
173.13258	2.5
175.11186	2.3
175.14853	3.0
177.09195	2.1
177.16394	14.1
185.13263	2.3
187.11273	1.8
187.14807	6.0
189.12744	1.5
189.16411	4.0
191.10750	1.4
191.14346	1.8
191.17966	31.8
197.13321	1.7
199.11414	1.3
199.89519	1.4
201.12785	2.5
201.16489	2.0
203.14301	2.7
203.18042	2.1
205.15891	10.8
207.11839	1.1
213.12718	1.3
213.16331	1.8
215.14374	3.5
215.17877	1.5
217.15938	2.1
219.17419	4.9
229.12331	1.3
229.15981	1.5
231.17464	2.1
233.15382	34.8
241.19675	1.1
243.13867	1.3
245.15518	1.7
247.13284	2.5
251.16472	3.4
255.17447	1.6
257.19098	1.8
259.17114	1.3
271.20703	1.1
273.18677	1.7
275.16479	3.5
277.17801	1.3
283.20776	1.2
293.23013	1.2
297.18442	2.2
299.20020	1.6
315.19595	11.8
317.21210	1.6
329.20956	2.1
336.20126	1.2
351.26971	3.0
383.25748	5.2
389.32065	2.0
407.33075	19.6
411.32336	5.8
425.34164	89.6
426.34583	4.1
435.32727	7.6
453.33685	100.0
454.34122	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3362
Annotation	Melliferone
Peak:m/z	Relative Intensity
53.03956	1.3
55.05516	7.6
55.32544	1.1
55.74438	1.0
57.07059	3.4
67.05514	9.6
69.03420	1.7
69.07075	13.5
69.32744	8.5
73.12612	1.1
79.05486	7.6
81.07053	21.6
83.04980	3.8
83.08616	7.1
85.05025	1.0
87.28080	1.0
91.05483	3.7
93.07043	14.4
95.04957	1.4
95.08612	58.7
97.06538	2.6
97.10156	2.8
100.11247	1.4
105.07049	8.0
107.08591	26.2
109.06503	2.7
109.10149	18.9
111.04449	1.4
113.05990	1.5
117.07021	1.7
119.08580	10.2
120.19503	1.2
121.06497	3.3
121.10146	38.8
123.08121	2.3
123.11710	7.0
125.05972	1.0
131.08563	5.2
133.10121	5.2
135.08086	7.1
135.11690	12.3
137.09631	1.5
137.13269	5.1
143.08575	1.2
145.10161	6.3
147.08057	3.4
147.11700	3.3
149.09607	5.4
149.13255	4.7
153.96790	1.0
155.08601	1.3
157.10144	3.3
159.08023	2.6
159.11703	2.7
161.09630	6.6
161.13271	3.6
163.07539	8.8
163.11171	1.4
163.14813	13.2
165.09030	1.3
171.11690	1.9
173.09586	2.7
173.13277	3.6
173.41357	1.1
175.11198	2.0
175.14810	2.2
177.09119	3.8
177.16393	13.2
181.10086	1.1
185.09673	1.5
185.13367	2.3
187.11195	1.0
187.14838	3.2
189.12761	2.2
189.16408	3.1
191.10716	1.3
191.14380	2.0
191.17941	32.7
195.11595	1.4
197.13336	2.9
199.11208	1.3
199.14752	1.3
201.12741	1.9
201.16275	2.2
203.14378	1.5
205.15866	11.6
211.15150	1.1
213.16336	2.1
215.14331	3.1
217.15912	2.1
219.17441	6.0
231.17580	1.6
233.15378	33.9
241.12239	1.2
241.19644	1.2
243.13870	1.5
247.13281	3.2
251.16466	2.0
255.17543	1.5
263.16388	1.6
273.18573	1.5
275.16537	2.9
291.96606	1.1
297.18497	3.3
315.19553	9.8
351.26749	2.4
383.25769	4.1
407.33099	16.0
411.32709	6.1
417.31509	1.8
425.34158	88.5
426.34393	2.7
435.32828	5.2
453.33676	100.0
454.33786	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	452.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	0.6
51.23256	0.4
53.03938	1.4
54.07656	0.4
55.05502	0.4
55.09420	0.4
57.07080	0.6
61.67673	0.4
61.84700	0.4
64.28635	0.4
67.05479	0.7
69.07071	0.5
69.24211	3.8
79.05490	5.0
81.07050	1.1
81.85235	0.4
84.05524	0.4
87.04475	1.6
89.06034	8.0
91.05484	1.7
93.07037	2.8
95.04958	2.0
102.56644	0.5
103.05478	4.1
105.07034	100.0
106.07359	1.7
109.10161	0.8
119.08572	1.1
121.06510	11.8
121.10162	0.7
124.91890	0.5
129.07062	0.8
131.08594	0.9
133.08592	3.9
133.10153	0.6
139.07532	0.6
147.08028	2.7
165.09105	6.2
165.25647	0.4
209.13283	1.3
213.16960	0.5
223.11095	1.0
227.12785	38.4
228.13332	0.8
228.41066	0.4
251.14484	0.6
274.15036	0.5
331.19116	1.8
452.14505	1.5
452.39056	0.9
453.15509	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	0.6
51.23256	0.4
53.03938	1.4
54.07656	0.4
55.05502	0.4
55.09420	0.4
57.07080	0.6
61.67673	0.4
61.84700	0.4
64.28635	0.4
67.05479	0.7
69.07071	0.5
69.24211	3.8
79.05490	5.0
81.07050	1.1
81.85235	0.4
84.05524	0.4
87.04475	1.6
89.06034	8.0
91.05484	1.7
93.07037	2.8
95.04958	2.0
102.56644	0.5
103.05478	4.1
105.07034	100.0
106.07359	1.7
109.10161	0.8
119.08572	1.1
121.06510	11.8
121.10162	0.7
124.91890	0.5
129.07062	0.8
131.08594	0.9
133.08592	3.9
133.10153	0.6
139.07532	0.6
147.08028	2.7
165.09105	6.2
165.25647	0.4
209.13283	1.3
213.16960	0.5
223.11095	1.0
227.12785	38.4
228.13332	0.8
228.41066	0.4
251.14484	0.6
274.15036	0.5
331.19116	1.8
452.14505	1.5
452.39056	0.9
453.15509	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79363	1.0
55.01887	1.8
55.05514	1.8
56.05037	3.2
67.05510	3.1
69.03450	2.0
69.07070	5.6
70.02952	3.9
71.04973	1.3
71.49212	1.9
72.04509	1.2
73.07677	2.1
74.00681	2.8
76.04013	3.8
80.05033	1.7
81.03432	1.8
81.07060	3.0
84.04506	21.6
84.08128	2.1
85.02908	3.7
86.02422	1.9
87.00885	1.2
87.02681	1.4
88.03997	3.6
91.05492	1.5
93.14858	1.2
97.06566	1.9
99.05582	78.4
101.25908	1.3
105.07002	1.4
107.06100	6.9
108.04486	7.2
109.02859	1.4
109.10201	2.9
111.11710	1.1
116.01672	1.2
119.04893	1.3
125.07163	1.5
127.04063	2.4
127.05061	11.2
127.11226	1.4
130.04994	12.9
133.10141	1.1
135.05539	2.0
136.03973	4.0
141.07030	2.1
145.06088	100.0
147.04453	1.7
150.03146	1.8
152.06317	1.2
153.06590	14.3
154.05002	1.4
155.08582	4.0
159.08388	1.9
162.02109	1.2
162.03250	1.6
163.03983	2.7
165.07016	4.7
168.05803	1.3
169.06490	2.3
169.12218	5.9
173.06009	2.6
178.05005	55.6
179.03439	2.7
181.06084	6.9
183.08067	6.1
185.09856	1.3
186.06760	1.8
187.07578	3.1
187.13351	1.7
190.05045	5.6
199.07181	13.1
201.09134	3.9
203.10974	1.7
204.06581	5.7
211.07451	5.7
220.13693	5.5
229.08621	3.9
234.03992	1.1
256.09225	6.2
257.08014	1.2
274.10361	13.0
276.70236	1.0
287.14401	1.4
304.67987	1.3
323.16364	8.7
358.16360	2.1
390.19211	3.8
408.20441	1.9
424.14063	2.4
434.17618	1.6
452.13477	53.2
452.19318	2.4
453.13947	2.6
461.62589	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.9
56.05033	2.3
58.02954	0.5
59.10698	0.6
67.05505	1.0
69.07070	6.2
69.82877	3.3
70.02945	3.1
70.06593	0.7
71.06087	0.6
72.04498	0.6
73.07673	1.1
74.00674	1.7
76.04015	4.6
76.49459	0.6
81.03436	1.0
84.04507	25.8
84.08159	1.5
86.02432	1.2
86.09729	0.7
87.02712	2.0
88.04021	2.7
99.05579	79.0
107.06087	7.4
107.08612	0.7
108.04486	2.2
109.10159	1.1
111.11665	0.7
116.03450	1.0
119.35188	0.5
120.15888	0.6
122.11872	0.7
127.05033	12.5
128.49084	0.6
130.04999	13.7
134.13403	0.7
135.05551	2.8
136.03949	3.8
143.08928	0.6
145.06088	100.0
153.06590	15.8
154.05028	1.3
159.08284	0.9
169.12317	0.7
177.03377	0.6
177.09404	1.2
178.05066	0.9
181.06090	10.6
184.07376	0.8
184.11388	0.7
187.07561	0.7
199.07143	15.0
202.12607	0.8
203.11058	1.3
210.08762	0.8
211.07175	2.5
220.13646	8.4
229.08640	1.0
239.06636	1.1
248.13129	1.9
256.09299	12.1
267.38272	0.6
273.11282	0.8
274.10355	14.0
305.15344	0.9
323.16431	6.6
358.16333	1.1
364.17511	0.9
390.18967	2.3
408.20181	0.7
434.18182	1.6
452.13367	2.5
452.18982	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55368	4.3
53.03937	12.2
55.01869	9.9
55.05516	29.5
57.03440	7.7
57.07086	7.3
61.02951	6.6
62.59781	4.4
65.03912	4.7
67.05518	38.4
69.03438	75.5
69.07062	28.5
71.05000	28.5
71.49619	6.5
73.02901	5.0
79.05505	49.1
81.03423	25.5
81.07063	100.0
82.77038	5.2
83.04987	13.5
83.08631	8.7
85.02909	83.8
87.00809	20.3
87.82449	4.4
91.05492	36.9
93.07068	54.7
95.04969	18.2
95.08613	49.5
97.02898	49.2
97.06525	14.5
99.04452	19.8
103.03940	9.8
105.01864	6.1
105.07043	74.9
106.24464	5.7
107.08613	50.9
109.06512	13.1
109.10156	32.2
111.04455	11.3
115.03895	13.7
117.07018	14.6
119.04916	5.2
119.08591	77.0
121.06477	10.9
121.10130	32.5
123.08112	6.7
123.11716	25.1
125.09637	8.1
127.03927	10.7
128.06238	9.1
129.07024	13.1
130.07764	6.2
131.07722	4.4
131.08553	26.2
133.06473	7.9
133.10129	45.4
135.11713	15.9
137.05952	4.7
137.09625	11.1
141.06985	8.3
142.07782	9.9
143.08557	32.7
145.06493	8.9
145.10159	44.6
147.08083	14.4
147.11711	41.4
149.09676	7.2
149.13254	14.3
150.73364	4.4
151.07722	5.7
155.08545	10.6
156.09364	11.2
157.10144	33.9
159.08022	13.8
159.11723	46.8
161.09647	8.0
161.13275	20.5
163.11246	5.9
167.08563	9.1
169.10118	17.4
171.02905	7.3
171.11725	25.3
173.09589	12.2
173.13287	21.5
175.11179	9.4
175.14867	9.9
177.09103	6.4
177.12633	6.1
180.09389	7.1
181.10158	11.4
183.11720	20.4
185.09622	6.0
185.13203	15.3
187.11208	5.6
187.14810	12.7
189.03955	8.7
189.09125	16.9
189.12743	5.3
189.16414	11.3
191.10677	4.6
193.10226	6.7
195.11710	17.2
197.09637	5.0
197.13257	17.3
199.11215	8.2
199.14926	7.2
201.03961	11.1
201.12781	8.8
201.16435	27.9
203.10747	7.2
203.17929	29.1
205.15961	6.9
207.11783	8.3
211.14908	7.5
213.12804	9.1
213.16412	6.7
215.17935	10.4
217.12222	9.8
219.17480	16.0
223.15002	6.3
225.12779	14.1
231.17310	10.0
233.11557	6.3
233.18930	10.0
239.14319	6.9
241.15942	13.6
243.13876	9.0
245.19032	9.2
293.19183	5.5
311.20117	20.1
329.21155	21.4
347.22220	9.9
407.29269	5.2
433.21918	10.8
451.23181	35.1
451.31595	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.9
55.01880	10.5
55.05519	19.6
57.03445	10.0
57.07060	6.9
59.04969	1.9
61.02927	10.7
65.03944	2.9
67.05507	26.2
68.99776	9.1
69.03092	3.9
69.03436	56.9
69.07062	21.7
69.47577	6.1
69.47998	7.7
71.01346	2.8
71.04998	20.1
73.02912	7.5
79.05499	25.7
81.02992	3.3
81.03429	40.5
81.07056	45.5
83.04985	11.5
83.08614	7.4
85.02908	56.9
86.76819	2.0
87.00823	30.7
87.04456	2.7
91.03931	3.1
91.05486	28.5
93.06492	2.9
93.07049	40.8
93.57441	2.0
95.04974	18.1
95.08607	48.2
97.02903	28.0
97.06513	5.0
97.84353	1.7
98.20765	3.4
99.04453	11.7
99.08108	2.5
103.03954	11.9
103.05502	2.5
105.01850	9.8
105.07037	60.8
107.04971	11.6
107.08601	38.8
108.70213	2.1
109.02903	17.4
109.06538	11.9
109.10155	35.6
111.04452	6.9
111.08067	3.1
111.19157	1.9
113.02366	4.2
115.03940	12.6
115.05467	3.0
116.06221	2.1
117.01881	3.9
117.07028	16.9
119.04973	2.9
119.08584	66.6
121.06518	9.8
121.10141	34.0
123.04437	8.4
123.08059	9.9
123.11739	17.2
125.06010	5.0
125.09642	5.6
127.03938	22.3
127.11228	3.6
128.06261	9.5
129.01857	7.9
129.06990	13.1
130.07800	4.3
131.08556	36.3
133.06528	4.0
133.10143	42.7
135.04460	4.5
135.08046	8.2
135.11699	20.1
137.05972	4.7
137.09627	8.5
137.13266	4.4
141.05469	3.4
141.07013	5.2
142.07768	10.6
143.08568	26.2
144.09366	6.2
145.04971	5.4
145.06509	4.9
145.10132	73.2
147.02927	4.9
147.08070	8.3
147.11679	37.1
149.05940	2.6
149.09639	4.0
149.13287	13.8
149.14328	3.0
151.07587	2.5
151.11124	2.2
154.07756	2.2
155.08498	9.4
156.09357	8.4
157.06465	2.7
157.10126	31.4
158.10889	6.3
159.02895	13.7
159.08063	8.6
159.11693	62.5
161.09624	9.5
161.13245	19.2
163.07550	4.4
163.11253	5.3
163.14818	4.8
165.09120	2.7
167.08618	4.8
168.09433	3.0
169.10107	11.5
170.10866	3.1
171.02919	4.6
171.08070	5.9
171.11694	25.8
172.12422	3.1
173.09634	4.7
173.13309	27.5
175.11189	10.3
175.14825	10.8
177.12712	3.2
177.16386	6.0
180.09344	3.1
181.10146	6.0
182.10851	4.1
183.08044	2.3
183.11740	16.3
185.09648	7.4
185.13275	16.2
187.11220	7.2
187.14844	38.3
189.03983	12.0
189.09138	6.5
189.12776	7.4
189.16397	59.7
191.10675	3.7
191.14352	3.0
192.09261	3.1
192.67435	2.0
193.10258	3.3
195.11702	4.6
197.09647	3.1
197.13246	11.5
199.11194	4.3
199.14795	10.4
201.03981	6.7
201.12799	5.9
201.16399	38.7
203.10721	3.6
203.14360	5.5
203.17981	11.1
205.15857	5.3
207.11771	6.7
209.13275	7.4
211.14894	2.6
213.12851	4.1
213.16371	17.0
215.14337	5.7
215.17995	20.2
217.12254	2.6
218.11166	2.1
219.05205	2.2
219.17415	6.5
221.13412	3.0
223.14880	5.6
225.12753	9.9
225.16400	8.1
227.14398	4.3
227.17950	12.3
229.19492	2.5
231.04953	4.2
231.13911	2.3
231.17430	9.8
233.18889	2.9
237.12590	3.3
237.16364	2.6
239.14369	2.9
241.15865	6.7
243.13821	9.0
243.17564	6.6
245.19070	11.1
251.18100	4.5
255.17557	3.6
257.19055	3.1
259.17056	4.1
261.18454	4.3
265.19516	2.5
269.19040	5.8
283.20584	3.1
287.20001	4.4
293.18976	7.3
311.20059	20.3
329.21088	17.4
337.13193	2.5
347.15009	3.0
347.22266	6.4
365.23178	5.3
407.24265	7.4
415.21289	9.5
433.22183	21.8
451.23297	100.0
452.23920	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	450.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31781	3.0
55.05518	6.6
57.07084	5.3
67.05506	34.1
69.07065	4.5
69.50384	23.4
69.83109	3.4
70.06575	4.6
79.05478	14.2
81.07063	22.8
82.31258	3.7
83.08656	4.0
89.03922	8.2
91.05478	8.1
92.76408	3.2
93.07036	18.4
95.08610	27.2
97.06483	5.8
97.40724	3.2
107.05025	3.9
107.08584	6.1
109.10204	8.2
117.03353	7.5
121.10170	20.7
123.11676	5.0
135.04414	15.3
135.11711	19.9
137.05986	8.8
145.02875	14.4
147.04443	7.7
149.02364	8.0
163.03912	100.0
181.04924	24.9
193.05005	8.5
225.70517	3.7
235.20590	19.3
245.04579	4.2
450.31754	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	26.0
57.07084	17.0
59.91039	8.3
67.05504	29.4
69.07060	34.0
71.08619	10.2
76.86261	9.0
79.05482	34.9
81.03426	17.9
81.07069	71.7
83.08628	18.6
86.29691	9.3
87.04481	13.0
91.05489	21.4
93.07052	30.9
93.22219	10.4
95.08620	100.0
97.31440	8.8
105.07066	28.9
107.08606	57.9
109.10152	58.7
119.08557	12.1
121.10178	41.1
123.11689	55.2
133.10094	11.5
135.11731	25.5
137.05931	21.8
137.13283	33.0
140.53644	8.8
143.22910	10.1
145.10123	15.5
149.09616	14.0
149.13300	24.9
159.11879	12.7
163.11209	12.3
163.14838	17.1
177.16371	14.0
181.12137	11.3
191.10606	14.2
205.12230	23.6
205.19585	29.6
219.21115	24.3
223.13385	19.4
233.22853	13.2
281.94299	9.2
397.30994	33.0
415.31906	50.8
433.33142	81.6
450.32999	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	450.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	8.9
56.05034	1.4
57.07075	6.9
58.99300	0.9
58.99589	17.7
61.01155	1.8
67.05496	2.9
69.07072	49.7
69.35357	2.4
69.35784	2.6
73.01155	1.2
76.02232	10.4
76.03996	3.4
81.07040	2.5
83.06094	2.5
83.08157	1.2
83.08625	18.9
84.04507	13.1
85.06496	0.6
86.34564	0.6
86.99051	13.9
87.02705	1.3
88.02215	2.7
91.05502	0.9
93.07040	1.1
95.08610	1.3
97.06519	0.8
97.10188	0.8
98.21477	1.2
99.05553	0.9
101.04279	0.8
107.08614	1.1
110.82222	0.6
116.01686	52.3
123.11726	1.0
125.13271	1.2
129.06595	2.6
130.04993	2.5
137.47337	0.7
142.03250	4.0
143.14339	1.8
144.01151	24.5
145.06119	1.7
157.10512	0.8
162.02214	100.0
169.65164	0.6
170.02789	0.8
172.91182	0.7
176.07077	3.0
176.10687	3.5
177.11436	0.9
178.50037	0.9
179.04886	1.9
181.06163	0.8
201.13098	30.6
204.10242	2.0
205.10982	3.8
218.15752	2.4
245.05917	1.4
286.14743	1.2
304.15778	30.7
313.08224	1.5
321.18460	13.3
370.20218	1.0
375.19559	9.7
387.19235	0.8
388.21237	10.0
432.23767	3.3
450.22852	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	450.227
Annotation	Hypognavine
Peak:m/z	Relative Intensity
55.05267	0.8
55.05512	9.0
56.05024	0.7
57.06840	0.5
57.07081	5.8
57.98797	1.3
58.96310	0.5
58.99296	0.9
58.99586	16.7
61.01143	1.7
67.05500	2.2
69.07069	51.0
70.61986	0.6
70.62318	1.2
73.01139	1.5
76.02232	9.5
76.04002	3.1
79.05502	0.9
80.05020	0.5
81.07048	1.6
83.06091	2.2
83.08622	18.4
84.04506	13.8
85.02923	0.5
86.99056	12.0
87.02699	1.3
88.02203	2.9
89.89568	0.6
93.07018	0.5
97.10192	1.1
99.05582	1.7
100.65896	0.5
102.05550	0.6
104.10702	1.0
105.00105	0.5
116.01682	53.1
123.11709	1.0
124.40748	0.5
125.13247	2.0
129.06581	3.9
130.04990	2.2
142.03209	3.5
143.14323	2.0
144.01152	25.4
145.06081	1.5
162.02203	100.0
163.02541	0.7
170.02728	1.5
171.12010	1.4
173.09984	0.5
176.07063	1.7
176.10643	2.4
179.04831	1.3
184.07317	0.8
187.05324	0.7
201.13092	23.1
204.10214	1.5
205.10956	1.2
218.15773	1.6
233.06039	0.6
245.05916	0.8
247.13722	1.0
254.25870	0.5
286.14743	0.9
300.11423	0.5
304.15768	34.5
321.18423	11.8
375.19470	15.5
388.21155	5.2
432.23004	1.1
433.20160	0.7
450.22748	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49752	2.3
53.03935	10.2
55.01881	15.3
55.05511	32.4
57.03436	24.4
59.04996	3.6
63.64775	2.1
65.03934	7.4
67.05505	75.0
69.03421	5.9
69.07070	30.8
71.01346	4.9
71.04980	9.9
71.08601	3.0
71.49574	3.4
79.05492	100.0
80.05793	2.2
81.03423	21.2
81.07056	84.4
83.01333	9.7
83.04987	20.1
83.08618	25.7
85.02888	6.5
85.06535	3.8
89.06010	2.8
89.37449	2.1
91.05483	83.8
91.25307	2.6
93.07045	97.1
95.04963	17.3
95.08607	31.3
97.06541	15.3
97.10127	3.3
105.04500	4.9
105.07026	25.3
107.04959	17.8
107.08594	50.8
109.06499	8.8
109.10139	6.6
111.08035	5.9
115.05485	11.0
117.06239	4.4
117.07016	56.8
119.04967	2.3
119.08572	14.0
121.06506	6.5
121.10144	41.5
123.08070	9.3
123.11702	3.0
125.05927	2.6
125.09603	7.2
129.06932	3.1
129.62920	2.4
131.08580	19.7
133.10130	10.4
135.08054	50.8
135.11656	15.8
137.05894	3.5
139.11182	5.9
143.08592	4.6
145.06520	3.5
145.10124	16.7
147.08049	2.9
147.11661	3.2
149.09581	12.9
149.13234	20.6
151.11212	2.8
153.12729	4.4
157.10205	2.6
159.11693	9.8
163.07568	5.4
163.11208	15.2
167.10718	11.3
169.10106	3.2
173.09631	4.8
177.07603	4.3
177.12671	4.8
181.08560	3.0
181.12207	4.5
189.11290	2.9
195.13733	9.7
209.11636	3.2
227.12694	4.1
241.98141	2.6
269.17435	3.2
287.05634	12.0
303.04874	4.3
312.36417	2.5
339.19601	6.3
357.20547	5.0
387.27182	35.8
431.24258	5.9
431.29431	5.6
449.25259	76.3
449.30591	8.5
450.25452	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2902
Annotation	16-Feruloyloxypalmitate
Peak:m/z	Relative Intensity
55.05510	1.5
57.07069	3.0
64.02737	0.7
67.05501	2.4
69.07073	1.3
69.59319	5.0
71.08637	1.8
71.73451	0.8
77.75104	0.9
79.05497	4.7
81.03427	2.7
81.07059	2.8
83.08601	1.0
89.03929	11.0
91.05492	1.2
95.08604	2.7
98.20832	1.1
105.06998	0.8
106.04145	1.1
109.06499	2.0
117.03387	24.2
128.12828	0.9
132.64209	0.9
134.03661	1.5
137.05998	4.3
145.02858	53.9
149.05989	8.5
163.03880	0.8
163.98636	1.0
177.05484	100.0
178.05745	1.0
186.05571	1.8
287.05530	4.3
449.32175	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	4.2
69.37455	27.2
70.06539	3.1
79.37886	3.5
92.51974	3.1
98.97591	3.5
123.04425	28.7
127.27984	3.2
135.04362	6.2
137.06018	5.1
138.12924	3.3
146.06013	5.6
147.04411	9.1
162.05528	3.8
163.03902	13.6
163.06259	7.1
163.56274	3.8
164.07074	13.8
167.08612	3.9
169.55568	3.3
175.04053	4.2
177.06934	8.9
195.08076	7.6
203.55792	4.0
205.06508	37.1
221.05858	3.9
223.07564	34.9
229.12088	3.3
232.07610	4.7
233.05995	20.7
234.06587	4.2
239.07001	5.7
241.08569	6.6
249.05496	5.6
250.08615	12.8
251.07047	69.2
261.05444	9.8
267.06625	4.8
268.97495	8.9
269.08295	32.4
276.07544	5.9
278.08142	12.4
279.06528	100.0
285.07553	12.3
286.10748	9.2
296.09204	30.4
297.07541	73.1
314.10214	88.8
320.96832	3.7
359.70804	4.2
420.33939	4.1
450.14157	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2126
Annotation	Latisoline
Peak:m/z	Relative Intensity
54.88429	1.1
69.74503	5.1
70.06594	2.1
74.42416	1.1
81.03416	1.8
84.04503	2.0
85.02882	1.5
91.05476	4.6
95.04915	1.1
105.06985	1.2
107.04963	2.5
117.07014	4.8
119.04935	1.2
119.08576	2.4
123.04404	3.5
131.08586	1.3
132.95723	1.2
133.02867	2.1
135.04399	2.9
137.05972	4.7
143.08542	1.8
145.06375	1.3
147.04402	4.5
149.06010	1.2
153.05464	2.5
155.08592	1.6
163.03900	6.8
165.60027	1.1
173.05969	3.5
181.04913	1.6
197.13309	1.2
211.00821	1.2
216.10216	43.2
223.07594	1.5
234.97000	1.2
240.06927	1.3
241.08368	1.3
251.07065	1.4
252.97963	1.8
253.12212	1.5
268.97476	2.1
269.08099	2.6
270.14908	27.5
279.06332	1.7
288.05878	2.5
288.15952	100.0
289.16061	1.5
297.07626	10.1
299.08020	1.9
320.96857	1.5
373.16815	1.2
405.05490	1.3
432.20023	1.3
433.11066	2.2
450.13550	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	449.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45808	3.5
53.03937	13.4
54.21603	4.1
55.01871	27.3
55.05275	6.3
55.05515	89.0
57.03447	27.5
59.04998	4.1
65.03941	4.6
67.05508	84.7
69.03413	17.4
69.07063	31.4
69.38243	4.2
70.14143	4.1
71.04978	12.3
71.18149	6.5
71.18484	3.9
78.36057	4.3
79.05495	100.0
81.03430	20.1
81.07053	67.3
82.69241	4.0
83.01303	4.9
83.04976	27.1
83.08611	45.4
85.02891	10.4
85.06559	6.1
87.04475	4.2
91.05480	75.8
93.06494	5.8
93.07041	68.8
95.04988	28.7
95.08621	34.8
97.02872	5.5
97.06521	19.0
97.10174	56.5
103.05468	20.3
104.99290	8.8
105.04480	5.2
105.07030	54.1
107.04966	24.3
107.08598	43.0
109.06477	14.4
109.10166	21.2
111.08062	8.4
115.05431	9.8
117.07014	54.2
119.04974	8.1
119.08586	36.1
121.02873	4.8
121.06469	17.9
121.10143	31.2
123.04395	7.7
123.08061	12.6
125.09608	54.6
128.06207	13.0
129.07018	25.1
131.04909	6.1
131.08597	34.5
133.06471	9.6
133.10103	18.5
135.08031	19.1
135.11662	13.7
137.09596	7.6
141.06981	22.7
142.07748	9.3
143.08601	27.1
145.06499	20.5
145.10120	39.6
147.08023	14.3
147.11652	11.1
149.09570	11.1
149.13164	4.9
151.03909	5.8
153.06998	6.1
153.09100	9.3
153.12581	4.8
154.07727	8.4
155.08556	14.2
157.06471	8.6
157.10121	27.9
159.08028	11.8
159.11684	34.6
161.09613	16.0
162.84416	4.6
163.07545	5.8
163.11172	14.4
165.06993	5.3
167.08527	15.8
167.10629	6.5
169.10129	32.3
171.08070	10.3
171.11685	11.9
173.09637	9.7
175.07381	4.8
175.11244	5.9
177.09174	4.1
181.10123	16.2
181.12236	9.9
183.11665	14.8
185.09627	18.0
187.11192	53.5
187.14870	4.9
189.05502	15.2
189.11205	25.6
197.09569	8.3
199.11234	6.6
203.10715	9.0
205.12253	11.8
207.11806	4.8
209.09532	4.5
209.11661	6.4
211.11255	6.2
213.09090	11.3
213.12727	5.6
217.05002	5.0
219.01953	4.8
223.11110	4.7
227.10710	8.5
227.12764	15.5
231.10153	6.8
245.13721	4.8
259.09653	5.2
285.14749	5.3
287.05557	21.7
293.18985	7.3
303.04959	13.5
311.19937	21.9
313.14359	8.0
321.18353	14.9
329.21048	14.8
331.15417	24.0
339.19510	66.1
357.20566	35.8
375.21738	9.5
413.15735	5.7
413.23001	10.9
431.24301	60.7
449.20047	7.3
449.25388	70.2
449.30783	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	449.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
55.05505	1.4
57.07078	0.8
67.05505	3.1
69.03432	0.6
69.07063	1.5
70.41821	1.9
71.08637	0.8
73.76546	0.5
79.05489	6.1
81.07055	2.0
82.66216	0.5
83.04977	0.6
84.53938	0.5
87.04510	0.6
89.06032	1.6
91.05483	7.1
93.07054	2.4
95.04994	1.4
95.08618	1.7
101.73713	0.5
103.05466	22.0
103.06159	1.1
105.03419	0.5
105.07034	72.1
106.07386	0.9
107.04888	0.5
107.08632	0.6
115.05505	0.9
117.07035	1.8
119.08605	2.1
121.10149	0.9
128.06194	2.9
129.05487	0.7
129.07039	2.5
130.07857	0.6
131.08580	1.2
133.06596	0.8
133.08597	1.0
133.10162	0.9
135.11694	1.0
141.07036	0.8
142.07784	0.7
143.08563	2.1
145.02885	0.8
145.06499	0.8
145.10095	1.4
147.04416	0.7
157.10179	0.7
159.11714	0.7
165.07080	1.4
166.07857	1.0
167.08585	1.0
171.08054	5.2
173.06000	0.7
177.05557	0.9
178.07693	2.6
179.08488	3.5
191.08496	3.0
192.09312	2.8
193.10106	3.4
195.08023	2.5
202.07779	0.8
203.08591	1.8
205.06537	0.6
205.10146	1.3
206.10905	4.4
207.08060	4.1
215.08574	0.9
216.10307	5.1
217.10513	5.2
219.08061	2.2
220.08836	3.7
221.09637	3.9
221.13263	1.5
222.10434	1.0
234.10332	4.2
249.12758	38.9
270.14859	2.4
271.15271	4.1
287.05511	2.7
302.17465	8.7
303.17825	16.4
327.17419	34.1
328.17752	1.2
403.12512	0.6
405.22134	100.0
406.22507	2.8
426.13919	2.3
444.15213	0.7
449.24744	25.2
449.30276	1.7
450.25266	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97885	3.0
55.05510	11.2
57.07069	9.0
59.28756	2.8
67.05241	2.8
67.05513	29.8
69.07063	10.4
71.08622	5.6
71.49538	4.7
79.05496	26.4
81.03404	9.0
81.07057	34.7
83.08614	8.1
89.03896	7.4
91.05513	14.6
93.07044	20.7
95.08611	27.8
97.06555	8.4
105.07008	7.4
107.08595	13.1
109.06505	8.2
109.10169	13.5
111.08084	11.5
117.03371	11.7
119.08575	5.5
121.10165	16.1
123.11618	3.2
131.08583	3.4
133.10153	11.6
135.04411	24.7
135.11661	14.7
137.06007	14.2
145.02878	15.4
145.10129	5.0
147.11647	3.8
149.13264	5.3
151.11169	4.0
163.03914	100.0
181.04958	15.5
215.17929	19.4
233.18974	8.4
251.20041	46.2
287.05536	6.0
449.25037	4.1
449.32422	9.6
450.81662	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.254
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	2.4
53.03944	6.6
55.01881	16.6
55.05526	21.0
57.03446	11.3
57.07074	2.2
59.05012	2.2
60.25190	2.4
60.57685	2.0
60.92455	2.8
67.05511	37.1
69.07083	21.1
71.01400	2.7
71.05000	6.1
71.49110	3.6
75.71999	2.2
79.05077	4.2
79.05506	58.7
81.03425	9.7
81.07065	46.8
83.01346	3.0
83.05002	12.2
83.08640	13.3
89.06028	4.8
91.05491	54.5
91.06037	4.7
93.07054	62.9
94.64500	2.3
95.04980	9.9
95.08607	23.8
97.06542	9.3
97.10174	4.3
99.08119	2.8
105.07047	19.5
107.04967	8.3
107.08605	30.3
109.06525	4.2
109.10172	6.5
111.04543	2.7
111.08124	5.7
115.05461	5.4
117.07016	29.2
119.08582	13.4
121.06513	6.0
121.10168	25.6
121.61645	2.3
123.08075	4.2
125.09667	4.2
126.55466	2.5
129.07019	4.0
131.08603	12.1
133.10173	9.3
135.08069	22.3
135.11711	11.7
137.05994	5.8
137.09613	3.3
139.11162	11.0
143.08592	2.7
145.10107	8.7
147.08046	3.2
147.11702	6.1
149.09608	6.6
149.13283	7.0
153.12781	2.7
156.56102	2.3
157.10239	2.1
158.34114	2.4
159.11754	5.7
163.07689	2.6
163.11191	10.4
167.10725	4.9
174.06935	2.3
177.12857	4.9
181.08630	2.4
181.10132	2.5
195.13869	6.0
198.49707	2.3
219.15672	3.2
227.12804	4.6
250.73886	2.2
275.20166	3.0
287.05539	100.0
294.74591	3.1
303.05130	7.0
311.19907	2.5
339.19644	3.0
387.27237	30.4
405.28482	2.6
431.24338	4.7
431.29343	6.1
449.25375	41.7
449.30646	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	449.217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	14.1
55.05503	28.7
57.03427	11.9
67.05502	44.5
68.21966	10.2
69.07072	20.6
70.85480	18.4
79.05508	63.0
81.03417	19.4
81.07069	61.6
85.02900	14.0
87.18277	10.4
89.91129	9.8
91.05494	74.9
93.07040	63.9
95.04991	18.1
95.08610	32.4
97.02871	15.2
97.06533	13.6
105.07038	29.1
107.08622	48.0
117.07014	35.6
119.08603	22.7
121.10178	18.2
125.09651	17.5
131.08554	22.2
133.10202	15.6
135.08107	53.9
140.01701	8.9
167.08571	16.1
189.83794	11.5
234.98929	13.5
257.91827	10.9
287.05554	100.0
303.05176	21.3
329.21768	10.6
354.90894	9.5
357.20779	12.7
358.95682	9.1
431.24445	13.6
449.25378	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	449.108
Annotation	Quercetin-3-O-alpha-L-rhamnopyranoside
Peak:m/z	Relative Intensity
54.59426	0.2
64.20322	0.2
65.03934	0.3
68.99787	0.9
69.03438	1.3
69.82432	1.0
70.06568	0.3
71.05001	0.5
78.27337	0.3
81.03403	0.4
85.02912	1.9
93.03399	0.4
97.02900	0.3
109.02863	0.7
110.51080	0.3
111.00814	1.4
114.80831	0.2
121.02894	1.4
123.04453	0.3
127.03957	0.3
131.08633	0.3
137.02342	5.0
137.05885	0.3
142.70282	0.3
149.02322	0.9
153.01828	5.1
157.06474	0.3
161.06003	0.4
163.03914	1.1
165.01836	2.9
173.05962	0.7
183.02899	1.2
183.04378	0.4
187.03925	0.4
201.05516	2.5
205.04955	0.3
219.06729	0.3
227.47939	0.3
229.04971	4.4
245.04591	0.4
247.05919	0.7
257.04468	3.1
274.04718	0.9
275.05600	0.3
285.03973	1.7
287.05518	8.8
302.04117	0.4
303.04999	100.0
304.05368	2.1
315.05084	2.6
316.05734	0.4
327.04944	0.7
345.06137	1.8
369.05933	1.2
398.86584	0.3
413.08716	1.5
431.09799	1.1
449.10828	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.108
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03936	0.6
55.01870	0.6
57.03442	0.9
61.02927	1.6
68.99789	0.6
69.03431	3.2
69.41565	0.6
69.41990	0.8
71.04993	0.4
73.02906	0.6
81.03416	1.5
83.01326	0.3
84.40000	0.2
85.02909	8.7
87.04436	0.5
88.31280	0.2
91.03938	0.4
95.50886	0.2
97.02300	0.3
97.02891	3.1
99.04439	0.6
105.03400	0.4
107.04935	0.3
109.02882	1.3
111.00797	1.1
118.93791	0.2
121.02862	3.6
127.03905	1.6
133.02797	0.5
135.04381	0.3
137.02312	1.1
145.04977	1.5
145.06549	0.4
147.04395	0.8
153.01828	5.2
153.03017	0.4
157.06479	0.5
161.05972	0.3
165.01843	2.0
171.04370	0.4
181.83542	0.2
182.70161	0.2
183.02953	1.1
185.06015	0.5
189.05525	0.2
197.06076	0.3
213.05513	1.4
229.04903	0.3
231.06606	0.8
241.04967	1.0
243.06705	0.2
257.04285	0.2
258.05280	1.1
259.06064	0.7
263.69458	0.2
287.05505	100.0
288.05829	2.7
299.05545	0.3
303.04953	2.1
329.06598	0.4
413.08609	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
55.01867	0.8
57.03434	0.8
58.20447	0.3
59.43477	0.3
61.02913	1.4
68.99784	0.9
69.03431	3.2
69.39443	2.8
71.04972	0.4
73.02909	0.6
79.05500	0.4
81.03405	1.5
81.07062	0.3
83.04961	0.3
85.02449	0.6
85.02914	8.6
85.70894	0.3
86.03236	0.3
87.04456	0.6
89.78697	0.3
91.03950	0.5
97.02901	3.2
97.04892	0.3
98.20703	0.5
99.04462	0.6
105.03407	0.3
107.04988	0.6
109.02882	1.3
111.00789	0.9
121.02872	3.6
121.03674	0.5
127.03929	1.8
133.02858	0.6
137.02316	1.2
145.04942	1.2
147.04431	0.8
153.01817	4.3
157.06509	0.6
165.01881	2.2
171.04453	0.4
183.02888	0.7
185.06027	0.8
189.05367	0.4
210.05330	0.3
213.05554	1.6
231.06575	0.5
239.07269	0.3
241.05022	1.0
258.05203	1.0
259.06082	0.8
282.22522	0.4
287.05515	100.0
288.05923	2.3
303.04990	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	449.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	12.1
55.01862	30.4
55.05513	47.3
57.03423	23.8
57.07066	8.8
59.04996	15.5
61.02917	8.7
67.05510	63.2
68.99780	17.4
69.03434	64.3
69.07068	42.8
71.01345	7.8
71.04989	29.3
73.02903	6.2
79.05502	77.5
81.03423	53.4
81.07061	93.7
83.04974	20.2
83.08629	18.5
85.02512	6.1
85.02924	64.1
85.06535	7.6
87.00845	36.6
87.04463	9.3
91.05489	68.3
93.07050	78.3
95.04969	22.6
95.08614	55.7
97.02914	35.7
97.06538	20.2
97.10191	27.8
103.05447	9.1
105.01862	11.8
105.07037	78.2
107.04957	18.9
107.08595	67.9
109.02883	17.6
109.06529	13.7
109.10154	40.9
111.04424	9.7
111.08102	6.1
111.11756	8.0
113.02245	5.2
115.03909	17.4
115.05426	14.5
117.07040	32.3
119.08558	53.8
121.06510	19.7
121.10153	48.4
123.08075	9.1
123.11734	19.9
125.09619	18.1
127.03935	22.7
128.06230	16.2
129.01837	11.6
129.07010	34.7
130.07800	11.7
131.04878	8.1
131.08563	55.7
133.06467	12.2
133.10135	39.3
135.08040	17.3
135.11702	7.2
137.09618	8.2
141.07004	24.0
142.07782	34.5
143.08585	57.8
144.09306	11.9
145.04948	11.3
145.06450	15.1
145.10127	74.4
147.04494	7.6
147.08028	25.6
147.11710	33.4
149.09593	10.1
149.13235	10.0
154.07777	7.5
155.08549	27.3
156.09341	15.4
157.10143	100.0
159.02893	9.0
159.08041	16.3
159.11716	54.1
161.09596	13.3
161.13127	7.2
163.07608	11.3
163.11203	11.8
165.07040	6.6
166.07860	7.1
167.08553	16.8
168.09305	8.9
169.10094	39.1
170.10954	6.3
171.08052	24.5
171.11667	59.6
173.09639	16.1
173.13290	20.4
175.11119	6.5
177.12743	8.6
179.08656	11.5
180.09358	9.5
181.10114	18.2
182.10849	11.5
182.46703	6.0
183.08080	10.2
183.11664	30.3
185.09624	27.0
185.13293	17.5
187.11179	16.8
187.14764	12.5
189.09109	10.5
193.10104	9.9
193.12256	6.8
195.11678	20.1
196.12502	7.4
197.13258	17.4
199.11162	17.6
199.14807	25.6
201.12823	11.9
201.16412	18.8
205.12206	12.4
207.11697	15.4
209.13138	6.6
211.11234	10.5
211.14781	15.9
213.12831	12.2
213.16356	25.2
215.14291	11.3
215.17911	8.8
217.15912	19.1
219.17474	9.6
221.13185	7.8
223.11205	18.8
225.12836	27.8
225.16301	13.4
227.18033	7.3
229.15884	21.4
231.04961	7.0
231.17450	13.5
239.14349	16.0
241.12215	9.8
241.15869	8.0
243.17464	20.3
245.11604	6.3
259.17050	12.0
266.98285	7.2
269.75339	6.5
273.18616	8.2
281.19089	13.3
285.18665	11.0
287.05475	65.9
293.41660	6.0
303.05005	13.2
309.18631	29.6
311.20154	8.9
321.18542	9.7
327.19650	53.9
329.21201	10.7
339.19705	9.8
345.20551	15.9
357.20676	18.8
363.14728	6.7
378.09885	11.4
379.09918	13.4
387.27255	28.6
405.22641	6.2
405.28326	7.9
413.18979	8.0
431.20502	32.3
431.24820	20.9
431.29443	7.5
431.35071	9.0
449.20728	63.0
449.31076	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	448.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.8
57.07074	3.9
60.62887	1.9
63.66693	1.5
66.59875	2.1
67.05501	6.6
69.07099	8.6
70.80111	2.7
70.80474	2.8
72.04510	3.9
79.05489	4.9
81.07063	21.8
83.08618	5.9
91.05492	4.0
93.07077	9.1
95.08611	27.6
95.14406	2.0
96.08978	1.9
97.06517	2.2
99.02798	1.6
102.81705	1.8
105.07054	5.0
107.08575	13.3
109.10164	15.1
113.98226	1.6
119.08596	7.2
121.10172	10.9
123.08092	3.3
123.11716	12.3
133.10141	10.0
135.08130	2.0
135.11699	16.2
137.06050	1.9
137.09598	3.3
137.13257	8.8
147.11652	6.0
149.09644	1.9
149.13283	9.1
151.14827	3.0
153.69661	1.9
159.11781	1.9
161.13251	3.3
163.11212	4.2
163.14806	5.5
173.13196	2.1
175.14804	1.8
177.16354	2.3
191.18036	3.3
192.10143	2.1
193.10588	2.6
193.12234	5.7
199.14784	2.6
203.17976	3.1
205.19621	3.6
217.19612	2.5
219.21016	2.4
231.21097	2.4
255.21129	9.0
273.22089	12.6
275.23755	3.4
277.21570	2.6
395.33109	24.3
399.32455	8.8
413.34167	100.0
414.34631	4.1
417.33594	5.4
448.38043	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1081
Annotation	Quercitrin
Peak:m/z	Relative Intensity
51.88735	1.5
57.03440	3.7
69.45002	1.7
69.62437	5.1
69.62865	6.0
71.04999	21.0
85.02439	2.2
85.02907	27.4
98.20634	1.4
129.05460	5.3
137.02347	3.1
138.45766	1.6
153.01785	4.2
165.01851	3.2
167.93040	1.8
181.82851	1.6
201.05428	2.0
229.04962	4.8
243.84727	1.7
257.04376	1.9
287.05435	12.3
303.05008	100.0
304.05426	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1081
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03930	0.6
55.01864	0.7
56.89001	0.2
57.03449	1.3
58.35529	0.2
61.02927	1.2
62.46458	0.2
66.26531	0.3
68.99783	1.2
69.03432	3.3
71.04983	0.5
73.02929	0.5
79.05492	0.3
81.03432	1.5
85.02911	9.1
87.04449	0.4
91.03955	0.4
97.02893	3.3
99.04468	0.4
103.04002	0.3
105.03393	0.4
107.04948	0.9
109.02877	1.4
111.00797	1.0
115.05528	0.3
121.02870	3.7
125.79104	0.2
127.03918	2.1
133.02856	0.4
135.04361	0.3
137.02353	1.9
145.04959	1.1
147.04424	0.4
149.02379	0.4
153.01833	5.1
157.06516	0.8
161.05957	0.4
163.03867	0.3
165.01843	3.0
171.04320	0.3
183.02898	1.1
185.05978	0.8
189.05455	0.4
197.05948	0.3
201.05573	0.5
203.07034	0.5
213.05479	1.5
229.04993	1.4
231.06549	0.7
241.04976	1.0
243.06514	0.4
257.04449	0.8
258.05127	1.3
259.06003	0.6
262.23087	0.3
269.04608	0.4
287.05505	100.0
288.05865	2.3
299.05530	1.3
303.04999	22.2
304.05240	0.4
310.03812	0.3
315.04950	0.6
329.06580	1.1
345.06024	0.5
353.06403	0.6
413.08698	0.6
431.09692	0.7
449.10730	0.6
449.19986	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15481	0.4
55.05404	0.8
57.03336	0.5
59.50396	0.4
67.05351	1.7
69.03350	0.5
69.06933	0.9
69.07274	0.6
70.06454	0.4
70.51426	1.2
77.62749	0.5
79.05340	1.9
81.03322	0.5
81.06895	1.5
81.57489	0.4
83.04830	1.1
83.08508	0.9
83.08984	0.5
91.05334	1.6
93.06874	2.1
95.04822	0.6
95.08475	0.8
97.06411	0.6
105.06918	1.0
107.08445	0.7
109.09987	0.5
110.09576	0.8
117.06917	0.6
119.04781	0.7
119.07140	0.6
121.09978	0.8
129.06854	0.7
131.08392	0.7
133.06383	0.7
134.05882	0.5
137.05844	0.8
139.10992	2.0
145.09972	0.7
146.05850	1.4
147.06598	12.5
147.07887	1.1
148.07420	1.3
149.05826	0.7
161.05873	1.0
162.05298	0.6
163.07402	0.5
164.07086	2.2
173.05827	0.6
175.07394	0.6
176.07101	4.2
177.07848	3.7
178.89188	0.5
184.05124	0.5
186.39445	0.6
191.09192	0.8
202.15759	0.8
218.15414	8.3
230.15242	0.7
244.16940	2.7
246.14919	2.3
247.15553	1.9
248.16394	1.5
271.15359	0.7
272.16370	0.8
287.05429	1.2
302.17441	3.0
314.24414	0.8
315.18295	12.6
316.18710	0.7
324.37103	0.6
342.24142	1.6
386.26920	100.0
387.27130	3.2
404.27982	2.8
430.29568	15.0
431.29947	0.6
448.30673	22.5
449.25446	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.0
55.01872	0.9
55.05500	2.2
57.03439	9.7
61.02938	1.9
69.03426	2.3
70.06599	0.9
71.05000	72.2
71.48554	1.0
73.02911	3.1
75.04472	4.7
79.05495	1.1
81.03426	1.2
83.05006	7.3
85.02912	100.0
86.61868	0.8
87.04470	2.1
91.03997	0.8
97.02898	6.2
99.04457	1.8
100.70132	0.8
101.05975	0.9
103.03928	1.0
105.07037	2.9
109.02915	1.6
111.04464	5.1
127.03930	4.9
127.04706	0.9
129.05492	45.8
137.05957	1.1
145.04979	6.0
147.05428	1.8
147.06540	23.4
163.06042	2.8
164.09187	5.3
253.89651	0.9
255.08768	1.4
273.09750	1.6
285.13602	1.0
287.05496	2.5
303.05057	3.8
310.20764	1.1
353.50882	1.1
386.28467	0.9
448.15179	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	448.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	4.6
55.05509	13.2
55.12782	3.5
56.05035	6.9
57.03438	4.2
58.99607	18.7
67.05515	30.6
69.07072	10.7
69.30468	36.1
70.06593	11.4
73.02911	3.7
76.02226	34.2
79.05506	12.5
81.03443	6.9
81.07072	50.0
84.04507	25.9
85.01081	3.7
85.02901	8.0
85.06554	7.4
86.99055	5.2
87.02715	3.9
91.05489	9.9
93.07076	20.6
94.06525	4.0
95.04996	5.1
95.08618	24.4
97.02908	6.1
97.06528	13.2
97.10188	6.9
98.21530	9.0
99.02687	4.5
102.05529	4.8
105.07030	15.1
107.08593	26.4
109.06564	4.4
109.10155	14.7
112.03985	4.1
116.01678	30.3
117.06989	5.4
119.08615	11.1
121.06502	6.1
121.10160	14.0
122.09698	6.2
123.11740	11.9
125.09611	5.5
131.08542	6.1
133.10199	4.6
135.11749	3.8
140.14381	5.4
141.12715	5.2
142.03271	4.4
143.02759	4.3
144.01196	8.9
145.06041	3.8
147.11708	7.1
157.10201	5.2
159.11711	10.4
162.02173	25.4
163.03923	3.7
163.14833	26.8
172.11516	4.2
173.13274	4.5
179.04852	12.9
189.16475	5.2
198.13132	19.6
198.14970	11.8
215.18005	15.0
216.14117	23.7
233.19046	16.0
251.20042	16.8
258.11694	6.4
284.13736	4.6
287.05609	8.8
301.15839	100.0
303.05066	9.6
373.17908	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	448.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	9.2
55.01873	10.7
55.02116	1.6
55.74222	1.9
57.03435	5.3
59.51537	1.7
61.02927	5.9
68.99782	5.0
69.03431	37.4
69.58252	12.0
71.01352	2.0
71.04989	6.7
73.02925	11.2
76.02225	1.9
81.03423	40.6
83.01384	2.0
85.02908	100.0
87.00827	43.1
87.04466	25.0
89.06016	3.0
91.03956	2.7
91.05478	2.3
95.04967	7.4
96.04488	2.5
97.02302	2.9
97.02893	37.5
98.05998	2.0
99.04464	16.3
105.01878	44.8
105.07032	6.2
108.04490	5.3
109.02886	36.7
109.70239	1.8
113.06053	2.4
117.01852	5.2
117.09094	1.9
126.05576	2.5
127.03922	70.7
129.01820	5.0
133.06520	10.3
137.05992	26.1
138.13084	2.0
145.04956	32.4
147.02864	2.6
147.07994	2.1
151.07550	5.4
151.51965	1.9
159.02898	22.7
161.05992	4.0
163.07518	2.6
165.09129	8.7
175.07523	3.8
179.07050	2.5
183.10135	10.9
189.09128	7.3
191.07103	3.7
201.09213	2.5
203.06960	3.7
207.10181	15.3
225.11275	13.5
231.05048	15.3
248.07687	2.4
249.06001	4.4
249.08755	2.0
249.11171	9.7
255.10199	2.7
271.44958	2.0
273.11172	16.4
287.05484	5.9
291.12274	18.6
377.12143	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	448.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05017	1.3
59.69115	0.6
60.05629	1.4
61.88853	0.6
69.85318	1.8
70.69567	0.5
71.48226	0.5
79.05469	1.1
83.06072	2.0
90.66150	0.6
91.05444	1.2
105.03394	2.7
105.05753	0.8
106.06555	1.4
111.05579	6.4
113.07087	1.0
120.03666	0.8
120.04479	13.1
123.04416	1.1
123.05520	0.5
126.06657	11.4
127.07406	1.0
131.04854	0.5
132.04465	22.0
133.05249	0.9
134.06023	10.7
137.04672	2.4
140.08156	1.3
142.27621	0.6
145.03993	0.8
146.02379	1.2
147.04420	0.7
151.05258	0.6
151.06178	8.4
159.05519	0.7
161.07106	0.9
162.06546	1.0
163.03900	2.0
168.08803	3.2
187.07373	1.0
202.07996	1.2
202.09781	16.8
216.11314	4.3
223.07518	0.7
230.09276	10.8
231.12402	0.6
232.10823	5.3
242.09270	3.7
255.36108	0.6
257.10410	5.6
259.11923	82.7
260.12167	1.5
269.08096	1.8
277.13010	2.5
284.11414	10.7
285.11566	0.7
297.07547	2.3
301.14066	8.8
301.17145	0.8
302.12491	30.9
319.15176	1.6
374.25723	0.6
406.17239	13.8
407.17346	0.6
430.18381	2.1
431.16321	0.8
448.19434	100.0
449.19739	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	448.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96244	0.3
56.67254	0.3
56.96535	0.4
59.96772	0.3
66.56134	0.3
70.19353	1.0
79.95714	0.3
85.02917	0.5
91.05432	1.7
98.20905	0.4
98.97601	1.7
107.04945	0.6
116.98640	0.5
119.04921	0.9
121.45136	0.3
123.04436	2.4
130.06514	0.3
131.04944	0.9
132.04459	0.4
134.06015	0.5
135.04381	0.5
137.05989	2.1
146.06012	0.4
147.04411	1.3
148.07658	0.4
149.02327	0.9
149.06044	0.6
158.06084	0.3
162.05510	1.1
163.03877	1.2
163.06276	1.4
164.07112	0.6
176.07109	1.4
177.00661	0.4
177.08008	2.0
195.08089	0.6
203.66112	0.3
205.06509	2.4
211.07712	0.4
223.07573	3.0
233.05948	0.9
239.06940	0.4
240.10149	0.4
250.08643	0.5
251.07074	2.0
259.11880	1.6
268.09714	0.9
269.08014	1.3
270.07681	0.4
278.08170	0.4
279.06540	2.3
286.10748	100.0
287.11237	1.9
293.58633	0.4
296.09097	0.4
297.07654	3.6
302.12518	0.7
314.10211	1.9
332.96146	0.4
431.09695	0.6
448.16037	47.1
449.16495	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.3
55.01867	1.8
65.03939	1.8
70.48085	1.1
70.99715	1.5
71.00063	1.7
79.05475	5.5
85.02899	2.3
89.03928	2.0
91.05480	9.5
95.04991	2.9
103.05471	4.1
105.03374	3.2
107.04963	17.9
109.02895	1.6
117.01853	1.2
117.03391	4.2
119.04967	4.3
120.04454	1.2
121.02879	6.3
123.03584	2.5
123.04435	34.9
124.05216	3.9
131.04933	8.8
132.04428	3.6
133.02869	9.7
134.03537	1.6
134.05989	1.9
135.04424	25.5
136.05186	1.9
137.02405	9.3
137.03368	2.1
137.05981	20.6
143.04858	1.2
145.02849	4.5
147.04420	51.3
149.02380	10.4
150.03143	7.1
151.03877	2.8
151.06209	2.0
152.06073	2.6
152.07091	4.1
153.07851	3.3
154.08664	1.4
159.04398	7.5
160.05170	10.9
161.02370	8.0
161.05972	5.6
162.03148	3.4
163.03922	78.3
164.07085	1.7
165.06970	2.0
167.08597	6.5
176.37238	1.2
177.01842	2.6
177.05539	2.4
177.07031	5.1
178.07774	1.3
179.03394	1.4
179.08530	2.1
181.04968	2.8
181.06497	2.6
187.03929	6.0
195.08049	13.1
199.07458	1.4
205.04829	1.7
205.06483	4.5
207.08070	1.6
213.09174	2.1
223.07571	22.5
226.06252	1.4
227.07060	1.5
233.05974	2.4
241.08607	20.1
251.07086	15.3
255.06654	6.2
255.09671	1.3
259.11957	8.6
268.07309	1.8
269.08102	51.9
270.08429	1.8
279.06631	6.3
286.10703	2.4
297.07605	100.0
298.07883	1.8
302.12531	3.5
314.10217	2.3
315.08572	5.4
406.17200	1.5
431.09787	32.2
432.09900	2.5
448.12347	30.4
448.19342	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.9
55.01846	0.8
59.06819	0.6
62.28203	0.7
64.32539	0.8
65.03917	1.6
69.14849	1.6
69.15260	5.1
74.03959	0.6
79.05460	2.4
81.03374	1.6
85.02866	2.1
87.00822	0.8
89.03884	1.4
91.04975	0.7
91.05481	9.1
93.03372	0.8
95.04977	1.3
97.02862	0.9
99.04472	0.7
103.05434	2.1
103.71154	0.7
105.01828	0.8
105.03365	1.7
107.04313	0.8
107.04961	10.0
109.02863	1.5
111.04376	0.7
117.03346	2.5
117.89211	0.6
119.04929	5.4
120.05711	1.4
121.02857	4.6
121.06499	0.9
122.03650	1.1
123.03589	1.1
123.04431	15.3
124.05234	3.0
127.03927	1.7
131.04878	2.2
133.02853	8.3
134.03601	1.1
135.03444	0.8
135.04424	15.1
136.05173	1.9
137.02325	3.9
137.05975	18.6
139.03900	1.2
145.02867	3.5
145.04913	1.2
147.04417	28.7
149.02354	9.7
150.03145	4.5
151.03915	1.2
151.06125	0.7
152.06140	1.8
152.07129	1.6
153.07838	2.4
154.02650	1.1
154.08575	0.9
159.04387	2.8
160.05223	5.1
161.02347	6.0
161.06003	4.1
162.03088	4.5
163.03903	31.9
165.06978	2.0
166.07739	0.8
167.08591	3.9
175.03857	0.7
177.01811	1.1
177.06976	2.0
178.07645	1.0
179.03331	0.8
179.08586	0.8
181.04945	3.7
181.06490	1.8
187.03853	3.1
195.08049	8.0
199.07524	0.7
203.06990	1.2
205.06461	3.4
207.08076	0.7
213.05458	0.9
213.09079	1.2
221.08110	1.6
223.07545	11.8
226.06322	1.3
227.07152	0.9
233.05942	2.1
233.08125	1.6
241.08530	6.4
247.43877	0.6
251.07071	10.6
254.05652	1.0
255.06607	4.7
255.08842	0.9
259.11905	3.1
268.07199	1.4
269.05304	1.4
269.08090	21.8
269.10986	1.2
279.06500	6.2
281.06665	0.9
286.10715	1.4
287.05515	0.8
297.07578	100.0
298.07953	3.0
299.91669	0.6
302.12503	1.1
314.10236	1.3
315.08453	3.3
382.24063	0.6
390.98474	0.7
403.10205	1.8
431.09769	22.1
432.10339	0.9
448.12430	24.7
448.19406	3.5
449.12564	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60049	1.0
53.03955	1.5
55.01886	1.4
55.27837	0.9
56.05000	1.0
63.57228	1.1
65.03931	2.2
67.92660	1.0
70.39497	2.3
75.24786	1.0
79.05495	5.3
81.03416	2.5
82.71628	1.0
82.80044	1.1
83.06153	2.0
85.02915	1.4
89.03920	3.1
91.05492	10.4
95.05011	1.2
97.02898	1.5
103.05470	3.1
105.03398	4.6
107.04311	1.6
107.04967	18.9
109.02891	2.9
111.05598	3.6
117.03394	3.3
119.04943	6.4
120.04496	8.1
121.02880	4.1
121.06501	1.2
123.04443	33.4
124.05241	3.3
126.06658	6.9
127.03927	1.6
131.04941	9.3
132.04472	11.3
133.02863	8.7
134.03516	1.0
134.06020	4.3
135.04428	27.2
136.05267	1.7
137.02348	12.3
137.04887	1.7
137.05984	20.1
145.02881	5.7
147.04428	59.7
149.02362	10.7
150.03149	6.8
151.03879	1.7
151.06166	4.4
152.06093	2.2
152.07080	3.3
153.07919	2.5
154.02698	1.3
159.04407	7.1
160.05222	10.2
161.02394	7.4
161.05975	5.6
162.03119	4.5
163.03920	74.1
164.04211	1.3
164.07016	1.5
165.06995	3.2
167.08582	8.3
168.08882	2.4
170.05524	1.2
177.01915	2.4
177.05571	1.7
177.07042	3.7
179.03490	1.4
181.04962	5.2
181.06445	1.8
187.03889	7.8
195.08057	14.6
202.09770	8.6
205.04913	2.1
205.06583	2.9
213.05672	1.6
213.09036	2.0
216.11327	2.5
223.07538	22.5
224.08069	1.3
230.09296	5.8
232.10886	3.2
233.06020	1.8
237.05219	1.3
241.08626	18.4
241.10799	1.9
242.09258	2.4
251.07031	15.8
255.06625	5.2
256.77103	1.2
257.10400	3.1
259.11929	45.5
266.08182	1.4
268.07269	2.6
269.08112	54.8
270.08514	1.1
279.06567	7.4
284.11484	4.7
286.10706	5.4
287.05542	4.5
297.07611	100.0
298.07928	3.0
301.14288	5.3
302.12534	16.9
315.08640	6.2
319.15195	1.4
346.22125	1.0
362.18921	1.3
402.10782	1.6
406.17178	9.2
420.88232	1.1
430.10663	3.2
430.18472	1.3
431.09799	32.9
431.15845	1.9
448.12396	36.9
448.19391	59.3
449.12408	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3835
Annotation	13'-hydroxy-alpha-tocopherol
Peak:m/z	Relative Intensity
55.05516	46.0
57.07082	78.9
62.83834	2.7
67.05501	8.2
67.21862	2.3
68.20631	2.9
69.07076	94.2
70.08548	12.1
71.08636	74.6
81.07056	15.0
83.08160	4.8
83.08627	71.5
85.10191	33.9
91.05470	4.2
93.07056	5.5
95.08608	10.4
97.10172	56.8
99.11736	8.3
107.08616	9.5
109.10167	6.9
111.11734	44.0
121.06545	5.6
121.10202	3.1
125.13312	17.3
135.08075	14.8
137.09584	7.3
139.07552	27.5
139.14761	7.5
149.02350	67.3
149.09622	9.7
151.07568	17.1
153.09062	14.9
153.16447	5.7
163.07561	8.0
163.11209	4.5
165.09134	75.0
166.06245	6.1
167.03479	8.2
167.07115	4.5
169.08595	8.1
177.09158	11.7
179.10753	5.6
181.08600	39.5
191.10710	10.5
205.12245	5.1
235.45937	3.2
315.58762	2.7
429.37390	20.1
430.37930	4.7
447.38348	100.0
448.38644	6.8
472.19901	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3834
Annotation	13'-hydroxy-alpha-tocopherol
Peak:m/z	Relative Intensity
55.05513	57.4
57.07077	82.0
61.11247	8.2
61.32946	7.9
67.05485	34.9
69.07072	100.0
69.50958	60.9
71.08636	63.7
74.97688	9.1
79.05476	21.4
81.07051	59.8
83.08631	77.4
85.10171	38.1
91.05455	15.4
93.07040	30.7
95.08596	98.6
97.10180	58.0
105.07005	19.3
107.08588	49.1
109.10158	59.4
111.11717	40.2
119.08582	28.5
121.10135	37.7
123.08069	9.9
123.11701	21.9
125.13242	10.8
131.08588	13.4
133.10129	12.7
135.11713	24.3
137.09695	22.2
137.13257	25.4
139.07581	16.5
149.02319	35.5
149.09686	13.6
149.13187	17.9
151.07549	24.0
153.09044	17.4
163.11086	12.1
163.14832	24.9
165.09108	44.5
177.09122	40.4
181.08623	29.0
191.18008	11.1
215.62793	10.4
230.24760	13.4
235.29805	9.9
372.47125	10.5
387.35913	11.2
429.37296	79.3
447.38400	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	448.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	3.1
56.96560	7.2
63.11733	3.0
63.97832	2.9
69.03439	14.1
69.18613	27.6
70.06580	4.1
83.06110	5.0
84.08138	10.0
85.02866	4.2
89.03905	7.9
91.05474	3.4
95.72574	2.8
98.06037	3.9
98.97590	20.2
105.30379	3.3
107.04956	6.1
112.06845	5.2
112.07608	100.0
115.02435	2.7
116.98616	8.3
117.03405	4.3
123.04411	14.4
124.74865	3.2
126.06587	3.3
130.08626	5.1
132.04433	2.9
132.98067	2.7
133.02777	3.4
135.04414	15.7
137.05975	9.8
140.05576	7.2
145.02837	6.3
147.04431	14.7
149.02373	5.6
150.96906	4.5
154.94160	2.9
158.06627	48.1
158.99655	10.3
159.04335	3.1
161.41562	2.9
163.03903	49.0
164.04181	4.0
167.08624	3.9
170.06590	11.1
174.96902	9.8
176.07689	23.8
177.00735	4.7
186.04385	6.4
188.07695	41.3
195.05074	5.0
195.07985	5.8
196.08180	7.5
204.05496	3.0
205.06523	9.2
214.09259	47.6
214.11136	5.7
217.03720	3.3
219.01855	5.7
221.02859	5.5
223.07571	15.2
224.07672	36.5
230.09099	4.0
232.10834	3.3
233.05978	5.4
240.07184	24.8
242.08737	32.9
249.05548	3.3
251.07036	13.8
255.06554	3.7
259.11957	17.3
269.08047	18.8
278.08035	3.5
279.06503	16.3
286.10571	11.9
287.05573	5.2
288.10794	8.5
296.09293	3.5
297.07608	40.5
302.08521	3.2
302.12244	6.2
314.09064	16.1
314.13620	2.8
315.08527	3.9
319.01086	5.8
320.09866	5.4
332.09769	82.9
333.10156	6.4
337.08054	5.0
344.66833	3.0
350.10873	98.8
351.11020	5.4
361.02441	3.0
406.17093	4.8
410.16663	2.8
431.09567	4.1
435.76523	2.9
448.12329	11.5
448.19952	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	448.124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74835	1.0
54.53536	1.2
55.01884	1.2
57.08918	1.2
69.83505	6.1
86.38682	1.0
94.19949	1.2
96.93056	1.1
98.21531	1.5
109.02907	1.7
118.06584	1.2
123.04430	18.1
131.04922	2.4
135.04404	1.6
137.02301	2.6
137.05966	3.1
143.04974	1.2
146.06007	3.6
147.04393	9.8
149.02388	1.9
149.06059	1.4
152.06186	1.7
159.04480	1.5
160.05196	5.1
161.05971	1.6
162.05424	3.1
163.03845	1.9
163.06332	6.1
163.07520	1.4
164.07109	7.9
165.06975	2.1
167.08557	3.2
175.03911	3.2
177.06908	14.8
178.04918	1.6
179.08575	1.5
181.06439	1.8
182.24492	1.2
187.47156	1.1
193.06517	1.6
195.08043	8.1
204.08087	2.0
205.04602	2.5
205.06477	42.8
211.07597	2.7
221.05971	3.8
222.06783	1.6
222.09070	1.5
223.07536	45.9
226.06320	1.4
232.07509	1.9
233.05952	19.8
234.06619	3.5
237.05470	2.7
239.06938	3.0
241.08546	2.8
249.05463	1.6
249.07855	1.2
250.06406	2.0
250.08664	10.4
251.07034	64.5
252.07390	2.5
255.06638	1.1
257.08060	1.2
259.11884	3.1
261.05450	5.1
267.06433	3.4
269.05280	2.3
269.08078	35.3
278.08112	11.8
279.06509	100.0
280.06943	3.1
282.05237	1.8
285.07605	16.1
286.10739	20.8
296.09177	29.8
297.07571	79.4
298.07819	1.3
314.10220	90.0
315.08444	1.4
448.12161	23.2
448.18405	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	447.3106
Annotation	Hyousterone B
Peak:m/z	Relative Intensity
53.03936	3.0
55.01861	5.4
55.05297	2.2
55.05510	21.7
57.03441	11.9
57.07059	9.4
67.05506	29.3
69.07063	29.8
69.48431	15.9
71.04998	2.4
71.08619	4.4
79.05504	19.9
79.43259	2.4
81.07050	41.9
83.08624	14.3
85.06554	3.3
91.05472	22.3
93.07043	25.9
95.04955	2.7
95.08604	49.3
97.06536	2.5
97.10172	6.4
98.98482	13.6
105.07033	37.8
107.08582	34.9
109.06509	3.2
109.10155	31.4
111.11714	6.2
117.07017	7.8
119.08573	37.2
121.06497	3.6
121.10135	30.6
123.08110	2.8
123.11737	17.2
129.06960	6.7
131.08559	18.9
133.09236	4.1
133.10129	35.0
135.11687	18.5
136.99994	21.8
137.13268	13.8
143.08563	6.4
145.10097	14.8
147.08009	7.5
147.11668	16.1
149.02347	7.4
149.09550	6.0
149.13257	13.8
151.07582	2.9
151.14900	2.9
155.01021	11.3
157.10104	12.3
159.11723	27.5
161.09618	6.8
161.13225	9.0
163.14803	10.8
165.09087	4.9
169.10074	4.0
171.11688	10.0
173.09601	2.6
173.13240	16.7
175.14781	12.8
177.09096	7.0
177.16360	11.9
179.10573	3.9
181.10152	3.0
183.11638	4.0
184.07326	3.2
185.13264	8.0
187.14761	6.0
189.16382	10.0
191.10712	3.0
191.17923	15.5
193.02583	6.1
193.08554	4.0
193.12274	7.2
199.14853	6.7
201.12726	3.5
201.16414	8.5
203.10675	4.4
203.17894	13.5
205.19450	5.7
207.10100	4.1
209.13211	3.6
213.16272	3.1
217.19421	5.1
219.10152	20.8
221.19115	3.1
237.11215	11.2
237.22163	4.0
241.12149	2.9
241.16058	3.0
241.19284	5.8
243.21152	6.3
245.15468	5.4
255.17392	2.8
273.14691	5.1
287.16342	2.8
291.15738	3.6
297.23203	2.9
297.25809	26.6
305.17374	5.7
311.25735	15.6
315.26807	7.0
333.20547	4.1
347.88321	2.5
355.26321	6.1
383.29462	44.1
385.38538	3.0
393.27756	5.5
401.30106	3.5
403.17578	3.7
403.73126	2.7
411.28912	31.8
419.17496	3.5
429.29987	100.0
430.30493	3.5
447.24466	27.3
447.31058	9.7
447.42480	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	447.347
Annotation	9-hydroxycerevisterol
Peak:m/z	Relative Intensity
51.09412	2.9
55.05513	13.6
57.07069	12.5
67.05518	13.8
69.03426	11.5
69.07072	32.2
69.48706	14.3
69.49112	6.1
79.05495	21.8
81.07060	60.8
83.05026	3.7
83.08617	15.1
87.49443	2.7
91.05492	11.7
93.07050	35.1
95.08617	81.0
97.06543	44.2
97.10188	8.3
99.04501	4.7
99.08105	8.3
105.07036	25.1
107.08603	52.9
109.10165	47.0
113.06008	10.9
113.09663	6.6
119.08598	21.4
121.06516	3.0
121.10145	43.8
123.11722	35.7
125.06001	100.0
131.08592	6.5
133.10159	18.7
135.11705	37.8
137.09602	3.6
137.13245	22.7
145.10129	12.0
147.11688	13.4
149.02376	4.3
149.09628	5.5
149.13269	29.8
151.14815	9.6
155.08493	4.3
157.10130	7.2
157.55367	3.4
159.11769	8.0
161.09587	3.6
161.13293	15.8
163.11226	7.3
163.14792	14.8
165.09120	4.9
167.10571	3.5
169.10101	4.4
171.11743	3.1
173.13289	10.3
175.14807	10.6
177.16379	5.8
181.12215	7.1
185.13411	3.9
187.14873	6.2
189.16394	6.8
191.10846	4.0
191.17964	9.6
201.16550	3.9
203.14275	3.4
203.17975	9.5
205.12292	9.5
205.19556	51.8
207.13788	3.6
213.16460	3.6
213.89442	3.1
215.18057	4.9
217.19571	11.4
219.13834	4.5
225.00903	3.2
227.17873	3.4
229.19522	4.1
231.13795	3.5
231.21077	19.2
233.37878	3.5
271.24277	9.0
273.25781	13.9
291.26926	9.1
292.43063	2.9
365.32242	2.9
371.29761	3.8
373.38293	3.7
375.15811	3.4
389.17474	10.2
390.17877	4.2
391.30814	3.4
404.20090	5.4
411.32611	43.3
417.17014	3.2
419.22470	14.5
429.33807	23.1
447.21594	50.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73436	0.3
55.05510	0.4
57.03432	0.5
67.05511	1.6
71.49528	0.5
72.08173	0.3
72.33412	0.3
74.09719	100.0
75.10017	0.3
79.05512	1.9
81.07062	1.0
83.04971	0.5
83.08627	0.4
90.24296	0.3
91.05479	2.4
92.79459	0.3
93.07058	1.1
95.08633	0.5
97.06506	0.6
105.07057	0.9
107.08625	0.4
117.07017	0.9
119.08582	0.7
133.10156	0.7
137.83556	0.3
143.08553	0.5
145.10179	0.9
147.11781	0.5
149.02409	0.9
173.05997	0.4
197.13258	0.4
216.10190	6.7
216.12166	0.5
244.13353	1.6
253.12221	0.4
270.14908	2.9
298.17987	1.5
301.80002	0.3
302.17502	5.1
315.18582	0.3
330.20636	4.6
374.19623	6.4
386.27127	1.3
399.53833	0.3
443.73926	0.3
447.27924	0.7
448.30484	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.9
59.05002	9.3
59.11266	0.9
69.03421	2.0
69.14906	9.9
69.15324	1.7
70.52862	0.8
72.36694	0.9
73.02905	1.1
73.06550	1.4
74.06087	2.9
77.06056	1.1
81.03448	1.7
84.04505	1.1
84.08151	1.1
85.02900	2.6
86.09707	2.3
87.04472	32.3
89.06034	75.1
91.05840	1.5
94.13963	1.0
97.02854	1.2
98.20705	1.9
103.03949	100.0
103.05401	6.5
103.07573	4.1
104.04260	1.2
105.01867	1.0
107.04927	1.2
108.04543	0.8
109.02843	1.4
119.07065	1.5
121.08619	2.5
126.05572	1.2
131.04945	23.4
131.07027	7.4
133.08612	48.1
135.03009	2.3
135.04439	1.4
145.09644	1.3
147.04465	1.3
147.06537	10.8
152.05688	29.9
153.04095	1.8
153.05405	1.9
159.07990	1.0
163.03937	4.2
163.07556	12.0
163.09702	3.0
163.11192	1.0
163.87776	0.9
175.09691	6.9
177.11234	17.4
190.09090	0.9
191.09123	6.6
197.09314	1.9
207.12256	4.6
219.12369	1.0
221.13885	2.9
235.11725	6.9
242.11812	1.8
279.14377	1.3
286.17548	1.3
298.66693	1.1
308.06284	1.2
308.09946	0.9
341.18405	1.2
371.22998	1.2
383.22736	2.1
384.14355	6.4
411.22501	1.4
428.17004	1.7
429.23386	11.9
446.18088	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	447.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47312	2.6
55.01866	8.2
55.05518	20.3
57.03440	20.7
57.07064	8.0
66.79518	2.4
67.05185	3.4
67.05511	45.9
69.07069	23.2
70.18605	7.7
71.08612	4.1
79.05498	26.4
81.06601	3.0
81.07063	45.1
83.08630	21.1
89.03908	7.9
91.05448	14.3
93.07047	30.2
95.04960	5.9
95.08607	62.7
97.06571	2.9
97.10157	8.8
98.20823	3.0
98.98480	20.2
104.75832	2.6
105.07047	23.3
107.08586	18.1
109.10162	14.1
111.11700	3.0
113.00021	31.4
117.03399	21.4
117.07028	3.9
119.08567	11.4
121.10150	24.0
123.11708	8.3
131.08557	7.2
132.86563	2.4
133.10129	8.9
135.11676	20.4
136.99985	25.5
145.02859	47.7
145.10136	8.5
147.11691	7.7
149.02415	4.4
149.06017	5.1
149.13229	6.5
155.01062	20.9
159.11696	6.1
163.03903	3.0
169.02652	12.3
171.11710	4.1
173.13208	3.5
175.14844	3.1
177.05482	100.0
187.03775	3.5
193.02646	4.9
195.06490	33.0
206.74051	2.7
211.03752	4.1
217.19630	3.6
222.01266	2.6
235.20636	2.9
261.22086	8.4
311.25919	15.8
335.25787	20.7
419.17874	4.3
429.30038	10.8
436.74026	3.1
447.24899	25.0
447.31018	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	446.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
70.77146	4.9
70.77502	2.8
73.04766	2.0
96.47857	2.2
103.05481	6.5
110.97170	2.1
115.51906	2.0
121.28157	1.7
131.04945	20.5
133.02876	1.9
135.04385	3.3
139.05440	2.9
152.07103	3.8
153.07048	4.3
163.07538	10.3
165.07016	6.5
178.06577	2.1
185.06024	5.0
192.08092	2.8
193.06551	4.9
197.05879	12.5
198.06889	2.3
199.07591	3.7
209.06027	1.9
210.06909	1.9
210.09200	2.2
211.07562	13.3
213.05490	28.8
220.07658	4.5
221.06026	6.3
223.04010	3.0
224.07059	5.2
225.05493	10.5
227.07126	3.9
238.08646	23.3
239.07103	13.2
239.09276	3.7
241.04996	30.0
248.07085	2.1
249.05443	4.8
249.25023	1.8
250.08669	3.5
251.05948	4.0
252.06630	16.6
254.08075	5.2
255.06526	10.6
256.09708	2.4
265.07394	2.1
266.08139	73.1
267.06479	4.7
267.08926	19.6
268.09607	3.8
269.04465	47.3
269.07016	3.6
283.05939	3.8
284.09189	57.1
294.07605	42.4
294.10733	3.5
295.05981	5.8
311.07852	4.6
312.08679	22.3
360.02448	2.2
374.08942	2.2
384.14346	5.8
400.10297	71.6
428.09805	100.0
429.09073	3.1
446.10327	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	446.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.1
69.03429	1.8
70.93085	0.4
70.93423	1.1
73.02915	0.5
73.04739	0.6
80.84113	0.5
81.03407	1.8
81.75262	0.5
84.26350	0.5
85.02911	4.5
87.00822	2.0
89.06023	0.6
91.48787	0.4
97.02898	1.9
99.04466	1.0
101.03249	0.5
103.03986	1.1
103.05475	34.5
105.01855	1.3
109.02869	1.3
112.00974	0.4
127.03951	2.4
131.04936	100.0
132.05223	0.8
137.06001	0.8
145.04996	1.0
152.05722	0.8
152.07039	0.6
159.02933	0.9
163.07555	50.4
164.07872	0.6
212.68094	0.4
231.04977	0.7
312.12268	0.6
356.62598	0.5
384.14395	2.4
428.17209	0.5
446.10828	0.4
446.18277	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	445.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89763	2.8
55.01864	11.5
55.05514	42.5
57.07078	43.4
61.40147	3.0
67.05503	24.1
69.07067	80.8
70.74119	8.4
71.08644	28.6
79.05478	13.8
81.07054	71.2
83.04971	6.6
83.08625	43.0
85.10185	15.4
91.05425	4.8
93.07045	36.4
95.04984	2.9
95.08606	55.8
97.06522	6.2
97.10167	32.9
105.07048	7.5
107.08578	24.6
109.06511	6.4
109.10164	24.4
111.08074	14.5
111.11700	15.1
119.08605	6.4
121.06512	8.4
121.10146	18.9
123.08039	3.8
123.11702	12.5
124.05214	7.1
125.09568	3.6
125.13293	9.3
133.10086	3.3
135.11691	11.6
137.05962	13.6
137.09578	2.9
137.13211	4.4
139.07541	100.0
139.11238	3.8
147.11673	3.5
149.09644	3.9
149.13269	16.0
151.07530	8.9
151.14851	3.1
157.10191	3.3
163.14813	11.9
165.05507	15.1
165.09100	18.9
175.11162	6.0
177.09123	4.1
177.16418	4.7
179.10718	3.1
181.08492	3.2
189.12779	5.4
193.08577	10.5
203.10721	6.5
217.12364	5.8
219.13699	4.2
219.29283	3.0
221.11700	5.3
231.13808	4.2
233.15329	4.3
252.69156	3.4
289.28915	17.0
307.30014	18.6
417.37482	5.5
427.35727	6.6
445.31390	4.0
445.36813	41.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.4041
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	4.3
55.05507	17.0
55.91716	3.9
56.84116	5.3
57.07072	7.0
66.47873	3.7
67.05502	30.0
69.07062	21.7
71.05006	17.9
73.66843	3.3
79.05490	14.0
81.07055	73.0
83.08630	18.3
85.06548	47.0
91.05479	12.3
93.07050	40.5
95.08610	100.0
97.10173	10.8
99.08106	4.6
105.07014	10.3
107.08599	67.4
109.10157	67.4
109.10860	6.7
112.73517	3.8
119.08591	14.8
121.10149	46.0
123.11706	38.8
133.10141	13.0
135.11697	43.5
137.13257	40.0
145.10153	4.6
147.11694	10.1
149.13231	30.3
151.14813	11.1
153.12741	14.3
161.13272	10.1
163.14796	21.1
175.14857	5.7
177.16377	10.2
181.15909	8.4
191.17961	11.0
193.15822	5.4
203.17976	4.0
205.19547	17.3
217.19530	10.9
219.21152	6.9
231.21140	9.3
245.22592	7.5
273.25751	8.0
286.61087	4.0
287.27332	5.3
401.37888	8.7
427.16641	4.2
427.39377	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3678
Annotation	Nebrosteroid D
Peak:m/z	Relative Intensity
52.05880	1.9
55.05496	8.2
57.07080	10.8
58.55834	1.6
59.04988	1.9
63.51751	1.8
67.05509	16.9
69.07072	14.7
71.08619	4.1
71.27380	3.6
79.05482	3.9
81.07058	35.0
83.08611	7.0
91.05487	5.3
93.07040	11.6
95.08610	100.0
95.63583	1.8
97.06553	1.8
97.10160	3.6
99.04465	9.9
102.14533	1.9
105.07024	5.1
107.08602	13.2
108.89299	1.8
109.06519	4.6
109.10159	15.6
111.08018	2.0
111.11690	1.7
119.08559	8.1
121.10116	10.6
123.11708	11.0
124.78011	1.7
125.13288	2.7
129.27490	1.8
131.08592	3.9
133.10106	6.7
135.11699	7.5
137.05954	4.2
137.13242	7.8
139.07494	2.1
147.11693	3.9
149.09641	2.9
149.13245	4.9
151.14818	8.7
153.12720	6.8
159.11673	3.7
161.09663	1.8
161.13258	3.8
163.11148	2.7
163.14851	4.5
165.09138	12.2
165.10350	1.9
175.14778	2.4
177.09019	2.0
177.16389	11.5
189.16331	4.1
191.14429	1.8
191.18007	2.1
193.15900	2.2
195.17406	4.9
201.16304	4.1
203.18082	2.2
205.19589	1.8
217.19583	4.3
218.90599	2.0
222.68533	1.8
249.18437	1.9
259.20520	10.7
271.27939	1.9
277.21606	7.5
289.21469	2.0
355.30072	3.1
355.33975	3.0
383.32999	2.0
393.76367	1.9
409.34525	5.2
415.15332	3.0
427.35669	28.6
428.35889	2.2
445.19913	14.4
445.29770	2.2
445.36703	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	445.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	40.0
57.07064	42.6
67.05505	25.9
69.07062	48.8
69.54369	68.9
71.08639	30.9
77.10178	10.7
79.05510	11.6
80.34622	10.8
81.07056	70.6
83.04967	12.7
83.08626	32.1
85.10191	11.8
93.07027	56.3
95.08620	100.0
97.10168	11.8
105.07053	31.4
107.08595	47.3
109.06545	14.0
109.10162	42.8
118.52691	13.2
119.08555	19.2
121.10156	36.8
123.11723	26.1
127.07558	19.7
133.10115	15.2
135.08086	14.9
135.11728	22.6
137.13315	29.8
139.07549	36.5
147.11646	18.2
148.51443	10.3
149.09628	18.0
149.13257	26.9
159.08066	12.8
161.13277	13.8
165.09183	59.5
167.07043	16.9
171.11572	12.4
177.09201	12.7
181.08574	13.8
185.13385	15.5
189.16519	13.3
191.10529	15.0
194.96205	11.0
202.09898	22.2
203.10693	14.8
231.13799	13.2
368.90311	12.3
427.35675	77.5
445.36584	16.2
458.26062	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	445.3676
Annotation	Topsentisterol A2
Peak:m/z	Relative Intensity
55.01863	10.0
55.05510	45.2
57.07076	41.2
65.03950	2.2
65.09769	2.0
67.05190	2.0
67.05508	23.3
69.07067	78.8
71.04977	2.8
71.08630	27.9
73.04737	4.6
79.05501	17.7
81.06598	4.0
81.07056	69.8
83.04967	7.5
83.08618	52.9
83.09111	1.5
85.06502	2.8
85.10186	17.0
91.05471	7.8
93.07047	37.0
95.04953	2.7
95.08607	58.5
97.06531	7.7
97.10169	36.0
98.20693	2.6
105.07017	6.7
107.08595	28.5
109.06493	4.1
109.10154	26.6
111.08098	13.3
111.11730	17.8
119.08587	6.2
121.06489	7.1
121.10144	19.0
123.08062	6.5
123.11691	14.3
124.05185	5.4
125.09604	3.0
125.13249	7.1
133.10118	4.7
135.08047	3.4
135.11684	17.6
137.06000	9.8
137.09605	3.1
137.13203	6.3
139.07539	100.0
143.08598	2.2
145.10078	3.0
147.11646	4.1
149.09579	6.5
149.13258	14.2
151.07492	9.1
151.14818	3.7
159.11624	2.2
161.09766	2.0
161.13275	3.3
163.14845	16.4
165.05460	22.0
165.09113	19.8
165.16530	2.1
167.05496	3.3
167.14349	2.6
167.73851	2.0
171.11665	2.4
175.11177	6.8
177.09096	9.0
177.16418	7.1
179.10632	3.0
181.08609	3.5
189.12749	3.6
193.08606	17.3
193.19574	2.2
203.10701	5.3
205.12241	3.0
217.12236	6.1
221.11690	6.1
229.01825	2.1
231.13722	4.5
233.22726	2.7
235.13364	2.9
263.27161	2.2
269.63040	2.1
289.28864	18.6
305.21323	2.4
307.29898	27.3
359.02921	3.6
417.37173	4.7
427.35730	10.6
445.36801	47.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.368
Annotation	Topsentisterol C4
Peak:m/z	Relative Intensity
53.03947	0.8
55.05507	5.6
57.07083	3.2
63.66029	0.6
65.03951	0.9
67.05508	6.8
69.07072	11.6
69.42229	3.3
71.04979	0.9
71.08602	1.1
79.05487	7.0
79.09261	0.6
81.07062	16.9
83.08614	3.5
91.05465	6.2
93.00582	0.7
93.07049	27.5
95.08612	24.9
96.08915	0.7
97.06519	1.0
97.10152	2.5
98.21497	1.2
105.07022	6.2
105.90109	0.7
107.04916	0.7
107.08598	41.2
109.06516	0.9
109.10163	21.0
111.08092	1.1
111.11709	0.7
119.08565	5.5
121.10152	32.9
123.08054	1.1
123.11717	10.4
125.09582	0.9
127.11212	0.7
131.08612	1.3
133.10162	3.4
135.11705	9.1
137.13249	4.5
139.07573	0.7
145.10126	1.3
147.11702	3.3
149.13264	100.0
150.13632	1.3
157.10123	1.1
159.11726	1.6
161.13286	2.1
163.14745	3.2
167.14284	1.1
173.13269	1.3
175.14867	3.1
177.16396	3.9
179.14423	0.8
187.14795	0.8
189.16562	0.8
191.17957	1.0
203.18066	0.9
205.15852	0.9
205.19572	6.0
207.13780	0.6
217.19527	0.9
229.61450	0.6
235.20631	0.7
287.23749	1.0
305.24695	3.0
322.38821	0.7
329.15512	0.7
333.27496	0.7
361.27466	1.5
415.35458	0.7
427.35757	48.1
428.36230	1.7
445.36810	49.9
446.36975	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3315
Annotation	Gibberoketosterol B
Peak:m/z	Relative Intensity
53.03934	3.8
55.05515	18.3
55.98659	3.0
57.03435	2.7
57.07071	3.3
58.55291	2.6
66.04696	2.5
67.05510	28.0
69.03410	6.4
69.07072	29.5
71.04986	3.1
71.50031	4.7
73.04752	7.0
79.05508	25.0
81.03403	7.3
81.06594	4.3
81.07063	71.3
83.04985	3.3
83.08627	11.4
85.02926	3.2
85.06551	3.4
91.05416	17.1
93.07047	48.6
95.04990	5.1
95.08615	100.0
97.02878	3.2
97.06527	14.2
97.10162	5.5
99.04434	3.4
99.08028	3.7
105.07023	44.6
107.08606	84.0
109.02864	3.1
109.06507	5.9
109.09470	4.6
109.10168	55.0
111.08068	13.5
111.11765	3.8
117.07047	5.5
119.08593	50.4
121.10148	84.3
123.08082	15.3
123.11720	27.7
125.09646	3.0
129.06999	5.0
131.08588	17.5
133.10143	39.4
135.08044	3.5
135.11697	41.3
137.05968	3.0
137.09592	4.5
137.13274	13.7
141.09090	9.9
143.08542	7.5
145.10147	30.4
147.11723	32.8
149.05904	3.0
149.09602	7.4
149.13286	23.7
151.11189	3.9
153.09090	7.8
157.10104	10.1
159.11696	28.2
161.09654	3.1
161.13260	39.2
163.11185	6.2
163.14896	13.2
165.09102	5.9
167.05482	5.1
167.10670	12.6
169.10109	3.2
171.11673	9.7
173.13277	24.0
175.14859	18.3
177.12703	4.3
177.16402	3.5
179.10681	5.5
181.12206	4.7
182.10973	2.7
183.11707	4.7
185.09639	4.0
185.13257	8.4
187.14807	17.7
189.12738	4.6
189.16359	12.4
191.10641	3.0
191.14325	4.9
191.17903	3.5
193.12262	3.9
194.66545	2.7
199.14763	8.0
201.16377	12.8
203.18030	4.5
205.15744	4.4
207.13789	5.6
207.17357	3.3
209.15340	4.1
213.16412	5.7
215.14363	3.3
215.18039	3.2
221.15370	11.7
223.16887	4.3
226.08885	2.6
227.17914	4.7
229.15926	2.9
229.19539	6.0
231.17557	3.0
233.15282	4.8
235.16888	8.1
241.19572	6.7
243.21117	4.2
247.16919	3.9
249.18491	4.3
255.21085	3.2
257.18912	3.0
261.18378	5.7
263.20120	8.9
271.24100	2.9
275.20071	6.2
277.21674	12.6
289.21661	3.4
291.23373	4.2
301.21600	3.5
303.22931	3.2
317.24792	7.5
353.28342	8.9
359.03116	6.3
371.29507	21.8
381.31506	12.6
387.25198	3.1
391.30066	3.3
399.32535	21.1
409.31094	35.1
410.24860	3.1
427.32129	46.3
445.27744	4.4
445.33243	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	445.3316
Annotation	Gibberoketosterol B
Peak:m/z	Relative Intensity
53.03945	3.0
55.01871	3.4
55.05521	16.6
56.89899	2.0
57.07069	3.6
67.05501	30.8
69.03419	2.5
69.07069	28.4
70.22001	10.8
73.04772	4.2
78.11478	2.3
79.05507	24.9
81.03432	16.5
81.07059	64.9
83.04994	5.5
83.08634	13.4
85.06518	3.4
91.05447	17.8
93.07051	50.9
94.27789	2.2
95.04960	7.0
95.08613	100.0
97.06544	8.5
97.10159	5.3
98.20782	2.3
105.07042	37.8
106.01920	2.8
107.08600	74.6
109.06556	3.1
109.10160	56.7
111.08074	9.1
111.11765	3.3
115.07597	2.9
117.07059	6.1
119.08586	42.7
121.06475	2.8
121.10152	76.2
123.08092	13.3
123.11706	27.9
125.09664	4.1
129.07039	3.2
131.08595	14.4
133.10139	45.8
135.08089	3.1
135.11700	40.7
137.09642	6.2
137.13272	11.9
141.09109	7.6
143.08600	5.8
145.10106	21.6
147.08069	2.3
147.11688	40.6
149.09654	5.6
149.13268	27.7
151.07597	2.4
151.11292	3.0
151.14848	2.7
153.09134	4.6
157.10112	7.7
158.10938	2.8
159.11705	33.0
161.09637	4.1
161.13274	28.3
163.11162	4.4
163.14842	13.8
165.09167	5.3
165.12753	4.2
167.10677	13.4
171.11655	6.3
173.13261	25.2
175.11241	2.3
175.14803	13.9
177.12701	3.7
177.16420	7.5
179.10649	5.3
179.14314	4.0
181.12263	7.2
183.11783	2.9
185.13303	7.6
187.14813	18.1
189.12746	3.5
189.16423	8.4
191.14343	4.3
195.13864	3.3
197.13345	2.5
199.14873	6.9
201.16478	10.8
203.14293	3.8
203.17999	3.2
207.13826	5.6
209.15399	7.3
213.16335	4.2
215.17990	4.3
217.15930	4.7
217.19540	3.8
221.15375	7.9
223.16882	2.8
227.18005	5.4
229.15819	4.1
229.19508	4.0
231.17503	3.3
231.21140	3.2
233.15410	5.6
235.16925	5.4
241.19618	6.5
243.17267	2.5
243.21219	4.3
245.18999	2.7
247.17012	3.8
249.18474	3.6
257.19052	3.9
259.20758	3.7
261.18561	5.6
263.20062	4.1
265.21616	2.9
275.20255	5.4
277.21677	11.0
289.21747	3.0
291.23239	3.8
301.21735	2.8
303.23233	4.3
317.24677	4.6
329.24866	2.5
335.27594	2.7
353.28464	8.3
359.02600	3.0
371.29538	22.0
381.31454	12.4
391.29956	5.1
399.32678	17.9
401.34058	4.7
409.31100	35.6
427.32147	40.8
428.32315	2.5
445.26218	7.1
445.33047	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	4.0
55.16093	3.8
61.56663	3.8
67.05491	11.2
69.03414	4.1
69.07069	10.2
70.29647	12.4
71.04986	8.4
77.79097	3.7
79.05484	6.8
81.07053	23.7
85.02895	11.8
85.06545	31.9
93.07024	10.0
95.08604	29.8
97.06496	4.5
99.08107	5.5
105.07014	12.1
105.94467	3.7
107.08583	16.0
109.10174	23.3
119.08572	13.8
121.10121	12.6
123.11661	10.5
125.09641	9.2
127.11208	4.3
133.10100	7.1
135.11682	10.9
139.11134	5.7
141.38925	3.7
145.10097	5.6
147.11693	12.6
149.13255	7.7
151.11191	4.1
159.11644	7.2
161.13260	6.9
163.14865	5.9
173.13280	9.4
216.35434	4.0
229.19495	9.1
247.20555	18.3
265.21640	100.0
283.22604	16.8
289.81836	4.1
326.27106	4.2
372.45117	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	445.2951
Annotation	Foetidinol
Peak:m/z	Relative Intensity
53.88445	2.7
55.05499	9.1
57.07064	6.3
65.24401	2.6
67.05509	28.6
69.03430	3.5
69.07045	8.9
69.23402	22.7
72.85603	2.3
73.04754	2.9
79.05489	9.9
81.03387	6.0
81.07059	45.3
83.08609	8.2
87.04453	4.2
91.05463	19.4
93.07061	13.9
95.08611	35.2
97.02897	5.7
105.07020	8.3
107.08591	13.7
109.10166	16.4
119.04961	30.5
119.08608	7.5
121.10166	15.2
123.11684	9.6
131.08530	5.0
133.10135	7.8
134.98172	7.3
135.08046	3.4
135.11699	12.6
137.09645	3.5
137.13283	3.6
145.10109	6.5
147.04425	100.0
147.11678	6.7
149.13242	7.2
159.11678	4.0
163.11159	4.1
163.14819	7.9
165.05518	35.3
189.16399	3.5
263.23730	5.5
269.12302	3.8
270.12656	5.0
271.12463	2.9
359.02661	3.3
402.72562	2.4
404.61597	2.9
445.29077	5.4
450.02917	2.9
462.60507	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	9.8
67.05499	36.7
69.03435	15.9
69.07065	23.6
70.01231	28.6
71.05006	18.0
78.33026	9.1
78.78653	7.9
79.05502	13.0
81.07059	61.8
83.08625	10.5
85.02897	17.1
85.06560	70.6
91.05445	10.8
93.07046	25.5
95.08616	63.6
98.21486	9.0
99.08119	12.8
103.87912	7.8
105.07040	24.7
107.08615	22.0
109.10146	27.1
111.08034	10.0
119.08578	23.9
121.10118	27.3
123.11705	25.4
125.09643	13.6
127.03923	15.9
129.55110	7.8
133.10173	11.4
135.11716	12.4
137.09604	9.7
139.11189	15.0
145.10175	17.1
147.11679	19.7
149.13216	11.6
152.99817	8.8
159.11699	23.6
161.13286	15.2
163.04082	8.9
173.13277	9.2
174.86638	9.4
177.12621	11.1
229.19499	19.8
231.05205	9.4
241.56638	8.5
247.20578	22.1
265.21661	100.0
283.22623	23.1
285.29987	8.8
317.83264	9.1
340.46750	9.0
359.02725	9.4
360.77563	10.0
378.56845	9.2
402.22421	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	14.9
55.01870	12.0
55.05504	4.6
57.03446	10.2
57.03664	1.9
61.02924	9.3
65.03954	1.6
67.05505	13.8
68.99785	5.2
69.03094	3.2
69.03432	49.0
69.07059	3.4
69.28876	1.9
69.29196	17.6
71.05004	18.1
73.02929	10.7
76.65395	1.7
78.94129	1.8
79.05502	11.4
81.03419	55.8
81.06594	2.8
81.07058	54.4
83.01324	1.7
85.02907	89.9
85.06512	3.9
86.71132	1.6
87.00838	38.5
87.04459	3.8
91.03947	2.9
91.05458	7.7
93.07044	25.9
95.04957	2.5
95.08614	45.7
97.02894	29.8
97.06517	3.0
98.21543	3.8
99.04457	19.8
105.01870	22.4
105.07037	25.1
107.08603	15.8
109.02879	45.3
109.06530	1.9
109.10172	10.3
117.01868	6.7
119.08580	20.0
119.28699	2.4
120.06731	1.6
121.10152	15.1
123.08035	5.0
123.11620	2.3
125.09656	13.7
127.03926	72.0
129.01799	5.2
129.06839	1.8
133.10120	8.8
135.11702	24.9
137.09633	9.0
137.13216	16.1
139.11160	2.7
145.04959	28.1
147.02925	3.5
151.11188	2.6
153.12770	2.6
159.02881	27.0
159.11690	3.1
159.19041	2.1
160.62462	1.8
161.13272	39.8
177.03906	2.2
179.14320	92.6
197.15379	100.0
213.03947	2.5
231.05028	13.9
303.68057	2.2
304.94138	1.9
359.02753	2.7
445.20932	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	445.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08146	0.5
56.05030	0.7
56.96567	1.5
57.03443	0.7
61.02941	0.8
69.02692	0.5
69.03445	3.1
69.66919	3.1
71.05013	0.9
73.02910	0.6
73.04763	6.5
78.31015	0.5
81.03416	2.0
84.04508	14.5
85.02909	6.8
87.00838	0.8
91.05475	8.6
91.05859	3.4
91.93825	0.6
93.03334	0.5
97.02892	2.2
98.20850	1.1
98.97595	0.9
99.04498	0.7
102.05553	1.1
107.04952	1.3
109.02885	1.9
109.06524	0.8
111.04494	0.6
118.06786	0.5
119.04962	7.9
120.08105	3.2
123.04430	1.5
127.03950	2.1
130.05009	15.5
135.04416	2.9
137.05986	100.0
138.06305	1.1
139.03897	1.5
144.46588	0.5
145.04985	1.2
149.04501	1.1
152.07098	4.6
154.08644	21.4
156.20016	0.5
163.03934	3.2
166.08652	0.8
167.05582	3.7
179.03743	0.6
181.04961	2.1
198.07654	7.2
203.00206	0.9
208.06073	0.6
220.09674	4.4
221.01279	1.5
223.06384	0.7
225.04303	1.4
237.12308	2.8
239.02271	3.2
240.08801	0.6
257.03403	2.1
266.10278	15.0
271.04877	0.7
281.03644	0.7
283.12909	56.9
284.13104	0.9
324.98917	0.6
329.81595	0.5
342.99527	0.6
359.02829	7.0
429.09000	0.6
439.28098	0.6
445.09137	0.6
445.18051	3.4
446.12451	1.0
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
57.03452	2.0
59.05003	100.0
69.03427	2.8
69.07060	1.9
70.06582	2.2
71.04996	0.9
71.48433	1.0
71.48818	1.0
73.02916	1.5
73.34078	0.8
79.05500	1.7
84.08126	0.8
85.02908	6.5
85.06539	1.7
86.09706	3.4
95.08558	1.1
97.02907	2.4
97.06519	2.5
99.08148	1.0
103.07585	10.8
107.04924	1.1
108.64977	0.8
109.02866	1.1
112.05083	5.5
117.09136	5.0
123.04436	1.7
123.87450	0.8
127.03948	2.3
129.91350	1.0
131.07051	70.2
135.10178	3.6
137.05980	6.1
145.04965	1.0
149.05942	1.4
150.05418	1.2
152.05634	5.5
175.07607	0.9
175.13324	2.5
189.09415	0.9
189.11185	4.3
204.10149	1.0
206.11801	1.8
215.10713	1.0
219.15887	4.9
247.15416	1.7
265.16467	33.9
270.11340	1.1
376.05121	1.5
394.18579	1.3
408.19879	2.0
426.15424	1.3
444.16382	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	445.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
55.01853	0.9
57.03432	1.2
60.00893	0.8
66.30344	0.9
69.03434	6.2
70.06582	1.1
71.00728	2.1
71.01064	1.0
73.02908	0.8
73.04747	2.0
79.05482	1.8
81.03402	4.8
81.07045	1.4
85.02910	14.5
86.09719	1.1
87.00835	5.7
91.05475	3.7
93.07046	7.1
95.04958	1.8
97.02895	3.4
99.04443	2.3
105.01871	4.2
105.07048	6.0
107.08595	18.0
109.02895	4.1
109.10155	1.0
119.08575	2.5
121.06505	1.1
127.03931	7.4
131.08601	0.9
133.10133	16.8
135.11699	19.6
137.05977	1.8
137.09596	1.0
145.04935	1.1
145.10146	1.2
151.11192	1.1
158.22516	0.8
159.02922	1.2
161.09613	9.5
163.21771	0.9
167.05527	1.0
167.65912	0.9
179.10683	31.6
190.80853	0.8
197.11743	100.0
206.83273	0.9
231.04936	2.7
271.42340	0.9
359.02606	1.6
369.38742	0.8
378.70462	0.9
413.51953	0.8
465.11765	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66888	0.7
53.03930	1.5
54.83208	0.7
55.01858	1.8
57.03417	1.0
59.04983	1.0
61.02923	0.8
67.05512	0.9
69.03430	7.0
70.06580	1.6
71.04983	0.8
71.48627	1.1
73.02904	1.6
73.04746	2.7
74.21996	0.7
77.88075	0.6
79.05492	2.0
81.03424	5.6
81.07047	1.7
85.02909	15.3
86.09708	1.2
87.00838	5.0
91.05394	3.6
93.07049	5.9
95.04989	1.7
97.02892	3.5
99.04437	2.1
103.08234	0.7
105.01846	4.0
105.07033	6.5
107.08602	15.6
109.02899	6.2
109.06494	1.5
109.10160	2.4
119.08575	2.7
121.06509	2.0
121.10201	0.8
127.03909	7.9
131.08560	0.8
133.10138	18.4
135.11690	16.6
136.11975	0.9
137.05984	1.4
137.08369	0.7
137.09612	1.5
145.04947	1.9
147.02930	0.8
151.11182	2.1
159.02940	1.2
161.09607	11.3
163.03978	0.9
163.11276	0.7
167.05589	1.5
179.10680	34.1
179.14162	1.0
197.11745	100.0
198.12073	1.7
209.11649	0.9
231.04936	1.2
235.05687	1.4
264.43857	0.7
359.02942	2.3
445.18936	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3888
Annotation	15Z,18Z,21Z,24Z,27Z-triacontapentaenoic acid
Peak:m/z	Relative Intensity
53.03917	2.0
55.05518	16.6
57.07067	7.9
67.05508	32.3
69.07078	28.3
70.09740	8.0
74.62676	2.1
79.05497	19.0
81.06593	5.1
81.07060	85.0
82.07398	2.6
83.08617	16.5
85.17152	2.4
87.04499	2.7
91.05482	14.2
93.07054	34.0
95.08612	100.0
97.06498	3.0
97.10165	11.0
98.20771	2.6
105.07034	26.7
107.08598	58.7
109.10156	62.8
111.08075	4.3
111.11715	6.5
119.08572	26.8
121.10162	41.4
123.08096	3.1
123.11704	39.4
125.09583	2.8
131.08562	11.1
133.10147	28.3
135.08073	3.6
135.11702	38.8
137.09613	4.5
137.13251	31.3
143.08534	3.0
145.10141	12.8
147.07930	2.1
147.11693	22.6
149.09637	5.7
149.13264	41.3
157.10121	6.2
159.11703	11.9
161.09526	3.3
161.13242	15.6
163.11166	4.3
163.14833	35.8
165.12804	2.8
171.11693	3.4
173.13307	12.2
175.14845	20.7
177.12790	3.8
177.16429	15.0
179.14249	5.3
185.13290	4.8
187.14851	9.0
189.16408	10.7
191.17961	15.9
193.15884	6.5
199.14847	4.2
201.16382	7.6
203.18011	12.6
205.15903	4.3
205.19548	8.9
207.17554	3.9
213.16463	3.8
215.17957	8.1
217.15919	5.5
217.19507	8.7
219.17334	3.5
219.21077	4.4
223.17020	3.2
229.19487	3.6
231.17334	2.8
231.21097	7.5
233.18994	3.8
249.22000	3.3
269.22711	3.7
335.55624	2.4
385.34088	4.1
397.38559	3.6
399.31903	2.8
407.36871	5.5
413.37506	3.5
425.33038	19.4
425.38208	11.8
443.34976	46.2
443.39401	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	443.3888
Annotation	Taraxast-20-ene-3beta,30-diol
Peak:m/z	Relative Intensity
53.47378	6.0
55.05494	12.1
67.05495	24.2
69.03431	10.8
69.07078	38.7
69.35166	57.3
71.04966	9.7
79.05482	14.6
81.07062	67.9
83.08630	16.3
91.05488	12.7
93.07043	35.2
95.08609	100.0
97.10181	14.7
98.21551	11.9
105.07025	19.4
107.08578	57.3
109.10157	64.7
119.08564	37.9
121.10147	45.7
123.08082	6.6
123.11701	38.6
125.09663	36.1
131.08586	13.7
133.10147	42.3
135.08078	8.7
135.11667	37.8
137.13260	28.9
139.11238	7.3
145.10101	13.0
147.11702	27.6
149.13206	39.4
151.11235	7.2
159.11739	8.7
161.13301	9.1
163.14812	45.0
173.13297	8.2
177.16435	9.2
187.14859	8.3
189.16263	7.4
191.17957	78.8
203.17989	13.8
205.19550	26.6
208.00024	6.5
211.16994	11.8
215.17995	12.5
231.21188	13.3
233.18935	15.1
243.59721	8.6
287.23703	12.2
400.98407	8.6
425.38232	78.9
443.33051	58.4
443.39151	54.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3881
Annotation	Taraxast-20-ene-3beta,30-diol
Peak:m/z	Relative Intensity
55.01867	3.9
55.05506	22.6
57.07061	9.3
59.04993	4.8
62.37242	3.0
67.05515	16.3
69.03427	4.7
69.07067	25.2
70.74742	10.0
75.01907	3.6
79.05488	14.1
81.07057	55.1
83.04974	4.0
83.08619	13.3
91.05484	9.5
93.07047	47.4
95.08606	73.6
97.06499	5.0
97.10152	9.1
97.61525	3.4
105.07043	12.8
107.08590	72.4
109.10148	41.6
111.08076	6.5
111.11721	6.0
119.08589	14.7
121.10143	86.7
123.11711	29.7
125.09637	5.0
128.93127	3.8
133.10115	19.5
135.11687	37.9
137.13252	24.0
145.10106	5.8
147.11688	13.3
149.13254	81.4
159.11700	8.7
161.13257	14.1
163.14806	11.3
173.13300	9.2
175.14819	9.3
177.16388	55.9
185.13249	3.0
187.14740	6.2
189.16289	7.3
189.51283	2.9
191.17941	89.7
191.19647	6.1
195.17455	42.4
201.16380	3.5
203.18002	6.4
205.16013	3.3
205.19528	7.9
215.17937	7.4
217.19519	14.5
223.16992	6.2
229.19496	8.1
231.21063	8.8
233.19092	6.2
244.26709	3.4
247.20444	3.9
251.20055	10.5
253.88132	3.0
257.22644	11.2
279.23257	3.9
285.25790	10.9
314.67902	3.7
355.29904	8.6
407.36667	10.2
425.37784	100.0
443.38638	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	443.3518
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
50.24701	3.0
53.03915	3.5
54.31752	2.8
54.50207	3.1
54.97334	2.8
55.01868	5.3
55.05494	11.3
55.38101	2.9
57.07060	10.7
60.48128	2.9
61.78534	2.9
67.05505	23.5
67.35395	3.3
67.41856	3.0
69.07072	37.3
69.13892	11.1
69.14314	25.3
79.05488	21.5
81.03409	8.9
81.07060	83.6
83.04974	11.0
83.08604	10.7
90.85894	2.8
91.05486	14.8
93.07045	40.7
95.04959	10.4
95.08610	100.0
97.06490	5.2
97.10148	3.9
99.08089	7.4
105.07038	30.5
107.08598	48.3
109.06487	4.6
109.10162	48.7
111.08068	5.1
113.05993	8.3
119.08582	29.8
121.10152	42.5
123.07206	5.6
123.08070	82.0
123.11670	32.2
123.34435	3.4
125.09608	6.1
131.08586	10.2
133.10141	42.3
135.11697	24.6
137.09621	8.4
137.13261	30.3
139.11220	14.9
143.08549	8.4
145.10094	12.6
145.97276	3.4
147.11719	14.8
149.09541	5.1
149.13223	20.5
151.11198	52.5
151.14809	5.9
153.12700	8.2
157.10118	5.6
159.11665	11.8
161.13257	10.4
163.11215	8.0
163.14822	9.7
169.12262	19.8
171.11688	5.3
173.13257	12.1
177.12778	6.5
179.14334	4.1
181.12257	3.8
185.13306	4.3
187.11198	7.0
187.14845	12.3
189.16321	9.0
191.14372	15.1
191.17929	10.3
197.13229	3.6
201.12770	4.7
201.16409	6.5
203.18021	7.2
205.19493	6.5
209.15388	7.0
213.16338	6.2
215.17979	7.4
217.19585	4.9
221.15230	3.4
227.17941	5.8
229.19568	7.0
233.19040	4.6
241.19498	5.1
243.21227	5.2
255.21086	7.2
257.22668	5.7
271.24286	10.3
275.23660	29.8
281.22504	4.7
299.23636	4.9
379.33618	25.1
389.32150	5.8
397.34811	23.7
407.33072	14.0
425.34216	92.1
443.35211	38.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56399	1.0
55.01861	1.0
56.96564	3.1
57.03444	1.4
69.03428	3.1
70.27702	1.0
71.48296	1.5
75.52998	1.0
81.73515	1.0
84.96049	1.0
85.02898	3.7
97.02880	1.6
98.97596	10.8
101.00882	6.4
110.01267	1.1
110.97584	4.7
113.00872	2.9
115.02451	1.1
116.98608	2.3
119.01935	9.3
127.03899	2.1
128.98604	3.5
131.01907	4.2
135.04408	1.7
137.05991	22.6
140.37466	1.3
143.00208	1.7
143.01897	12.2
146.99757	1.4
151.07571	6.9
155.01941	9.9
158.99669	3.1
161.02956	11.5
161.05992	1.6
163.02715	1.3
163.03934	8.7
164.04311	1.4
170.89027	1.2
170.99638	4.7
173.02953	13.4
177.00714	2.0
177.03987	6.1
178.04776	2.7
180.02698	4.2
181.03491	2.0
182.03391	1.5
182.99725	1.4
189.00723	4.3
191.03925	3.0
192.97914	1.1
195.05040	25.3
196.05840	9.0
201.00734	3.2
203.04010	2.0
204.02719	1.6
205.03493	3.3
207.05029	2.5
210.03792	2.0
211.08185	2.6
213.06093	2.0
214.06859	2.1
219.01802	3.9
219.05064	4.9
221.03116	1.4
221.05052	2.6
222.03703	3.3
223.04590	2.8
225.06133	1.2
231.04993	1.3
237.02991	1.8
237.06071	16.0
237.69751	1.0
240.04881	2.1
243.01770	1.5
246.03746	3.1
255.07175	36.3
257.01038	1.1
261.02899	4.3
261.06140	5.0
263.03986	8.0
264.04843	5.1
265.05475	1.0
272.06577	8.5
273.08221	31.2
275.08475	1.3
279.04047	2.3
279.07144	26.4
280.07526	1.1
281.05054	4.0
282.01337	3.9
282.05881	4.3
291.07373	1.2
297.08221	100.0
298.08475	3.0
309.08209	4.3
317.22101	1.2
319.14584	1.2
320.09885	2.9
321.04831	1.2
323.05820	3.6
327.09308	2.9
341.07150	4.3
399.11301	3.2
434.70352	1.2
443.10425	1.2
444.06433	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	22.8
53.86180	1.6
55.01877	10.0
55.05497	5.4
55.81419	1.6
57.03444	11.7
59.30288	1.8
61.02917	4.2
65.03939	4.5
67.01881	1.8
67.05492	10.9
68.99794	23.9
69.03429	65.1
69.07074	1.9
71.01363	5.5
71.04995	8.8
71.28822	2.2
73.02917	6.8
76.74000	1.5
79.05501	7.4
81.03419	100.0
81.07051	4.1
83.01321	1.9
83.04990	15.4
85.02906	55.9
87.00832	23.1
89.80054	1.6
91.05489	8.4
93.03426	2.2
93.07064	4.4
95.01356	3.4
95.04980	15.8
95.08616	3.5
97.02896	44.1
99.04460	19.7
101.02366	4.0
103.03962	4.0
105.01852	2.0
105.07038	7.4
107.04955	6.0
107.08611	2.7
107.84232	2.0
109.02882	95.5
109.06548	2.4
109.10152	3.1
110.03664	5.2
111.00831	2.3
111.04453	16.3
113.02364	2.8
115.03963	2.1
115.05460	3.1
119.04964	2.9
119.08582	3.2
121.02851	6.2
121.10119	2.2
123.04420	15.5
123.11728	2.1
125.02359	19.6
127.03918	87.8
129.01866	4.3
133.06493	5.0
133.10124	2.1
135.04446	5.3
135.11691	2.3
137.02312	2.6
137.05959	4.3
139.03900	4.3
143.03418	5.2
145.04980	4.9
147.04417	5.4
149.02373	3.7
149.06013	1.9
151.03920	20.7
153.01851	2.2
159.02864	2.6
161.05994	5.4
163.03928	6.6
165.05490	3.5
169.04962	4.2
171.02930	23.9
173.04384	1.7
175.03966	2.0
189.03938	7.2
189.05499	10.6
191.03453	4.0
191.18166	2.0
193.04997	6.3
195.02844	5.2
205.04988	2.5
207.06557	5.3
213.03947	24.1
217.04991	10.0
231.04955	4.3
235.06038	11.7
244.08250	1.6
253.07127	9.6
256.38104	2.0
265.85965	2.0
271.08154	2.7
295.08295	2.1
311.07782	2.5
321.06137	11.6
339.07156	13.8
357.08228	6.4
399.09119	2.3
407.06110	4.6
425.07181	13.6
443.08231	22.9
443.14087	2.2
443.16751	2.2
443.35318	2.6
467.41626	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	442.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.1
55.01898	0.8
55.05513	1.2
57.03438	5.3
57.07065	0.7
59.05005	100.0
67.05495	1.6
68.99789	1.3
69.03436	2.0
69.07056	1.8
71.49093	0.8
75.66377	0.6
79.05505	2.2
81.03436	3.1
81.07074	2.5
85.02903	2.0
86.06076	1.2
91.05493	2.9
93.07082	1.9
95.08634	2.4
97.02934	1.9
97.06541	1.4
99.08126	1.1
105.07042	1.9
107.08629	1.6
109.02917	3.0
111.04493	1.3
115.07598	2.3
116.10758	2.5
117.09141	31.3
119.05010	1.2
119.08599	1.7
121.10179	1.2
125.02357	0.9
126.23608	0.8
127.03947	2.5
133.10156	1.3
135.11774	1.2
136.12219	0.7
137.13220	0.7
147.04462	2.6
148.04788	2.2
149.05003	0.8
151.04012	0.8
164.07184	1.5
175.13316	11.4
212.16618	0.8
214.18030	10.6
230.17598	1.2
233.17476	3.3
240.10271	2.0
251.18672	1.2
268.13535	1.1
270.14948	1.2
291.21756	0.9
313.20438	0.9
339.07138	0.8
396.25433	1.9
424.25162	0.8
425.31177	2.5
442.26151	5.0
442.32089	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01831	0.6
55.05498	2.1
67.05505	3.1
69.03421	0.6
69.07073	4.1
69.83977	3.1
70.06570	1.0
71.07384	0.8
71.08640	5.8
72.08144	2.4
73.06524	0.5
79.05494	1.8
81.03400	0.9
81.07055	4.5
83.04938	0.7
83.08619	1.7
84.08155	1.6
86.05597	0.8
86.06073	9.0
91.05486	2.7
93.07053	1.2
94.09425	0.6
95.08607	3.0
96.08139	3.8
97.02872	0.7
97.06519	1.7
97.10120	0.8
98.06046	2.0
98.09228	0.5
98.09722	4.8
98.21432	0.7
99.04463	0.9
99.08102	2.9
105.07027	1.4
107.08588	1.7
108.08112	2.1
109.02913	1.0
109.10155	1.0
111.08079	0.9
114.09155	0.9
116.10741	27.9
117.07004	0.8
119.08590	1.4
119.97134	0.6
121.10117	0.8
122.09675	2.5
124.07600	1.2
124.45469	0.6
126.09081	0.8
127.03942	0.8
133.10120	1.3
135.10573	0.6
135.11674	0.7
138.09041	0.5
140.10706	1.0
142.03879	0.6
142.08630	1.9
143.10689	2.2
147.11722	1.5
149.13289	0.7
154.15916	2.4
154.99387	0.6
157.10135	0.8
166.15875	2.4
168.17479	0.7
175.11206	0.9
175.94836	0.6
178.15910	1.3
193.12241	1.0
196.17001	6.1
214.18037	100.0
215.18466	1.2
292.22626	0.7
294.75504	0.6
308.22260	1.1
310.23792	2.6
326.23322	4.0
328.20935	1.0
328.24844	17.7
344.24347	7.3
424.30606	1.8
442.31610	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	441.3728
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
55.05502	23.5
57.07063	14.3
65.03935	4.8
67.05508	30.1
69.07079	44.1
79.05497	18.9
80.68795	3.0
81.07059	88.3
81.12058	3.1
83.04983	4.4
83.08614	13.9
91.05466	12.4
93.07047	43.0
95.08611	100.0
97.10172	13.7
105.07044	28.3
107.08588	56.2
109.06500	7.5
109.10160	69.4
111.08110	4.9
111.11731	5.2
117.06952	3.0
117.57429	3.0
119.08595	44.1
121.10154	54.3
123.08067	12.7
123.10826	5.3
123.11713	71.1
125.09575	3.4
131.08548	7.1
133.10147	36.5
135.08046	4.1
135.11687	42.5
137.09665	7.7
137.13263	36.3
139.11183	12.0
140.89426	3.4
143.08591	3.7
145.10120	10.7
147.11699	29.2
149.09723	3.4
149.13263	44.3
151.11208	23.9
157.10141	4.3
159.11696	12.5
161.13289	21.0
163.11136	5.5
163.14865	36.5
165.05562	2.9
165.12749	3.8
165.16449	5.2
167.10771	3.1
169.12312	5.2
171.11743	5.3
173.13242	10.6
175.14835	37.3
177.16383	18.2
179.17969	3.9
187.14896	7.7
189.16467	18.8
191.17966	45.1
193.15909	38.6
199.14850	5.5
201.16417	6.7
203.17947	18.3
205.19566	6.3
207.17482	4.4
213.16454	4.2
215.17917	14.2
217.16095	3.9
217.19536	20.0
219.17429	5.2
221.15375	5.6
229.19484	11.3
229.26138	4.0
231.17439	7.4
231.21078	12.5
235.16917	4.4
245.22614	6.0
247.20555	6.5
255.21091	3.4
259.24243	4.6
273.25937	4.3
285.25815	6.7
287.23764	4.0
317.24591	4.6
353.28345	9.3
387.31516	3.8
405.35257	8.3
423.36276	78.7
441.37363	98.4
442.37302	5.7
467.18887	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	441.3732
Annotation	12Z,15Z,18Z,21Z,24Z,27Z-triacontahexaenoic acid
Peak:m/z	Relative Intensity
53.03954	2.9
55.05513	8.3
57.07081	6.0
67.05511	14.5
69.07064	20.5
71.04996	6.2
71.08647	3.1
79.05499	8.1
81.07066	39.6
83.08627	8.6
84.08147	2.5
91.05484	6.8
93.07043	18.8
95.08611	57.5
97.06565	3.3
97.10202	5.1
97.69983	2.3
99.08118	4.0
105.07037	9.9
107.08600	29.8
109.10167	26.3
111.08102	4.3
111.11756	3.9
117.07050	2.4
119.08590	14.0
121.10155	24.5
123.11718	21.2
127.08717	6.0
133.10164	10.5
135.11705	18.1
137.09660	2.8
137.13252	22.4
139.07568	7.0
139.11226	2.6
145.10135	6.6
147.11722	6.2
149.13266	22.6
151.11240	5.1
151.14771	2.9
159.11804	3.7
161.13313	6.5
163.11246	7.8
163.14874	8.9
169.13428	3.4
171.11763	2.7
173.13313	3.2
175.14886	6.4
175.45616	2.5
177.12827	3.4
177.62418	2.4
179.14398	4.8
189.16476	5.7
191.14398	3.8
191.17992	9.2
192.18248	3.6
201.16383	4.3
203.14342	2.6
203.18042	3.3
205.19571	6.8
209.15375	4.6
213.16454	3.2
217.19641	2.7
231.21330	2.0
235.17075	5.0
243.21346	3.8
247.20627	2.5
249.18562	6.3
273.22202	2.6
291.23355	5.4
292.90009	3.0
317.24615	2.5
325.28848	2.8
343.29944	22.4
391.92554	2.2
395.37012	8.0
405.35553	2.9
423.36343	11.9
441.37372	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3728
Annotation	(-)-Duryne
Peak:m/z	Relative Intensity
54.65321	1.5
55.05511	10.1
57.07068	4.9
66.76789	1.3
67.05517	12.8
68.36987	1.3
69.03411	2.1
69.07073	16.4
69.52111	10.4
71.08640	1.4
74.79464	1.4
79.05498	10.3
81.07055	39.9
83.04995	2.9
83.08607	9.5
91.05479	8.3
93.07047	21.6
95.05009	2.8
95.08609	51.0
97.06541	2.7
97.10183	6.3
105.07034	16.0
107.08601	28.9
109.06523	6.0
109.10161	28.6
109.10863	2.7
111.08081	4.0
117.06991	1.8
119.08578	20.1
121.06511	2.2
121.10154	23.8
123.08079	6.5
123.11701	18.7
125.09642	3.8
125.13287	1.5
131.08588	6.3
132.62964	1.6
132.78429	1.6
133.10117	13.7
135.08102	4.3
135.11703	20.2
137.09657	4.3
137.13258	13.0
143.08577	2.9
145.10118	7.7
147.08116	2.6
147.11697	11.9
149.09708	5.5
149.13272	17.2
150.71460	1.5
151.11157	2.0
157.10190	2.8
159.11682	7.4
161.13216	9.3
163.11259	3.4
163.14828	11.0
167.14357	3.0
171.11774	3.4
173.13231	9.0
175.14844	8.9
177.12833	2.9
177.16400	13.9
179.14420	2.5
185.13275	2.0
187.14870	6.9
189.16394	10.3
191.14413	2.9
191.17949	11.3
193.15987	3.1
199.14761	2.1
201.16521	6.2
203.14294	1.8
203.17957	4.2
205.19630	2.5
207.17473	8.3
213.16516	2.2
215.17975	4.5
217.15921	2.1
219.17526	6.9
227.18036	2.5
228.77682	1.8
229.19606	5.5
231.21130	1.9
233.19075	4.6
235.16991	3.0
241.19391	2.7
247.20702	5.2
261.22171	2.2
275.23755	3.0
283.24185	16.5
287.23755	2.3
317.24725	2.1
341.28391	2.7
345.28046	1.8
357.27979	6.2
411.36545	2.1
423.36691	12.4
441.37445	100.0
442.37897	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	441.3728
Annotation	12Z,15Z,18Z,21Z,24Z,27Z-triacontahexaenoic acid
Peak:m/z	Relative Intensity
53.03931	0.9
53.08759	0.5
55.05510	4.9
57.07068	1.9
65.03930	0.7
67.05504	7.4
69.07072	9.1
69.29781	4.9
71.08634	0.7
79.05487	4.7
81.07057	22.0
82.17059	0.6
83.08639	4.0
91.05476	3.9
93.07050	10.9
95.04991	0.9
95.08608	31.7
97.06548	0.9
97.10164	2.2
105.07043	6.9
105.22124	0.6
107.07893	0.8
107.08596	15.2
109.06522	1.8
109.10162	19.7
111.11739	1.2
117.07010	0.8
119.08598	8.2
121.06485	1.2
121.10157	13.8
123.08080	1.4
123.11712	10.6
124.76486	0.7
125.09634	4.3
131.08566	1.5
133.10130	6.5
135.08070	0.9
135.11703	9.5
137.09666	0.8
137.13257	13.6
139.11142	1.0
143.08592	1.2
145.10129	2.1
147.08073	0.8
147.11688	6.6
149.09700	0.8
149.13268	10.4
151.11139	1.2
151.14824	2.1
153.12732	0.9
157.10158	0.9
159.11739	2.2
161.13246	5.2
163.11162	1.1
163.14822	5.2
165.12758	3.3
173.13278	3.0
175.11314	0.8
175.14784	4.3
177.12810	3.1
177.16371	3.3
179.14355	2.3
181.12247	0.8
187.14809	0.9
189.16429	4.5
191.14313	5.2
191.17941	3.2
195.13792	1.1
199.14841	1.1
201.16528	0.9
203.17979	2.1
205.15910	0.9
205.19537	3.4
215.17789	0.8
217.15871	1.6
217.19475	1.5
221.15448	3.7
229.19614	0.9
231.17458	0.9
231.21025	1.0
235.16985	7.5
237.18423	0.8
243.21208	1.1
245.22626	4.1
249.18513	2.7
257.22751	1.2
259.24277	1.2
271.20676	1.0
273.25720	3.5
287.23676	0.8
299.27359	1.7
317.28253	1.0
395.36606	0.7
405.35126	1.1
419.11450	0.8
423.36322	5.9
441.37286	100.0
442.37589	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3727
Annotation	21alpha-Hydroxyonocera-8(26),14-dien-3-one
Peak:m/z	Relative Intensity
54.02839	0.5
55.05507	4.0
57.07071	2.3
65.11061	0.5
67.05502	6.6
69.07073	5.1
70.68314	0.7
70.68647	1.3
79.05502	2.6
81.06675	0.5
81.07057	16.1
83.08608	3.0
91.05494	2.6
93.07044	6.1
95.08608	25.8
97.10181	3.0
105.07031	4.6
107.08598	10.3
109.06519	1.1
109.10160	13.6
111.11730	1.1
119.08581	5.4
121.06512	1.8
121.10150	8.7
123.08113	0.7
123.11706	8.1
127.11205	0.8
129.07019	0.6
131.08557	2.8
133.10138	5.9
135.08067	2.2
135.11699	6.6
137.13252	10.4
143.08565	1.4
145.10124	3.7
147.08047	2.2
147.11671	4.6
149.09621	0.9
149.13281	5.7
151.11136	0.9
151.14862	1.2
157.10158	1.5
159.11717	4.2
161.09679	1.4
161.13286	2.7
163.11154	1.0
163.14847	2.5
165.12784	0.7
169.10156	1.3
171.10481	0.5
171.11691	2.4
173.13283	2.3
175.11163	0.9
175.14844	2.2
177.16411	1.9
181.12215	0.6
183.11685	1.1
185.13281	1.6
187.14864	2.3
189.12730	0.8
189.16389	1.9
191.17957	2.0
197.13220	0.9
199.14920	1.0
201.16441	1.2
203.14346	1.4
203.17989	2.4
205.15904	0.8
205.19539	2.1
211.14742	0.8
213.16431	1.1
215.17938	3.0
215.97832	0.5
217.15889	1.3
217.19580	1.5
219.17462	1.0
227.17944	0.9
229.19554	1.9
231.17622	1.0
231.20975	0.8
239.17883	1.0
241.19582	1.5
243.17531	1.0
243.21030	1.2
253.19614	0.8
255.21115	1.3
259.20624	0.7
259.24219	1.2
267.21146	1.1
269.22650	1.0
271.20535	1.0
285.22339	0.7
287.23730	0.6
299.23801	0.6
309.26016	0.6
388.70865	0.6
388.75943	0.5
393.35141	0.9
405.35080	2.6
411.36172	0.8
423.36304	10.9
441.37314	100.0
442.37851	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3728
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
53.03934	0.8
55.05516	3.5
57.07090	3.5
67.05508	7.9
69.07069	6.9
71.08646	0.7
79.05498	5.1
81.07060	25.1
83.08620	2.8
83.18488	0.6
91.05476	3.2
91.58770	0.6
93.07053	9.3
95.04952	0.9
95.08615	34.8
97.10153	1.8
103.33543	0.7
105.07034	6.1
107.08598	13.5
109.06529	1.1
109.10172	13.8
111.11761	1.0
119.08594	7.8
121.06516	1.3
121.10155	9.8
121.42564	0.7
123.08098	1.0
123.11733	9.9
123.85551	0.7
129.06984	0.7
131.08568	2.1
133.06483	0.9
133.10135	5.2
135.08057	2.1
135.11697	8.2
137.09647	1.0
137.13272	13.8
139.11159	1.4
142.07730	0.6
143.08554	1.0
145.10135	3.1
147.08038	1.3
147.11690	3.9
149.09607	1.1
149.13248	6.3
151.11226	0.7
151.14828	2.5
155.08594	0.8
157.10147	1.8
159.11716	3.5
161.09621	1.9
161.13261	4.4
163.11137	0.9
163.14836	3.7
165.16425	1.0
167.10677	1.1
171.11742	1.8
173.09662	1.0
173.13286	2.0
175.14838	3.1
177.12701	0.7
177.16388	6.4
183.11732	0.9
185.13339	1.3
187.14871	1.5
189.16412	1.9
191.18010	2.1
197.13289	1.1
199.14891	0.9
201.16444	1.7
203.14401	1.3
203.17958	2.6
205.19550	2.5
213.16428	1.8
215.18015	2.2
217.19498	1.5
219.21078	1.1
221.15443	2.9
225.16406	0.7
227.18066	1.5
229.19536	1.3
235.16730	0.7
241.19348	0.9
243.21127	2.0
245.22597	0.8
245.26837	0.7
253.19579	0.8
255.21136	1.0
259.24341	0.9
267.21063	1.3
271.20715	0.7
287.23697	1.3
312.07043	0.7
328.16238	0.7
343.29987	1.0
405.35175	2.7
411.36185	0.7
423.36343	7.9
441.37317	100.0
442.37921	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3726
Annotation	Duryne
Peak:m/z	Relative Intensity
55.05503	3.3
57.07063	2.3
67.05498	5.1
69.07068	7.9
71.41441	2.0
78.54106	1.0
79.05497	4.2
81.07057	18.8
83.08614	3.6
90.72756	0.9
91.05479	3.5
93.07059	10.0
95.04986	1.7
95.08607	24.8
97.10155	3.1
102.52056	0.9
105.07059	5.4
107.08588	12.8
109.06513	1.1
109.10155	17.4
111.11740	1.5
119.08573	5.9
120.90162	1.0
121.06565	1.0
121.10148	11.5
123.08070	1.3
123.11697	8.5
125.09692	1.1
130.06686	1.0
133.10115	4.4
135.08014	2.2
135.11699	8.7
137.13268	9.8
139.11237	1.1
145.10120	3.1
147.11690	5.9
149.09647	2.5
149.13266	12.4
151.14838	1.9
152.18929	1.0
155.47531	1.0
159.11659	1.3
161.13268	3.9
163.11194	4.0
163.14783	4.8
165.09117	2.0
165.12729	2.0
173.13252	2.1
175.14783	4.5
177.12747	4.4
177.16388	3.1
179.14249	2.3
187.14906	1.6
188.78969	1.0
189.16405	2.8
191.14308	5.9
191.17966	2.7
201.16199	1.0
203.17899	1.7
205.19537	3.3
217.15941	1.3
217.19475	1.7
221.15465	3.4
223.16931	2.0
235.16919	5.9
245.22780	3.1
249.18555	1.4
259.24152	1.0
423.36600	4.9
441.37311	100.0
442.37695	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	441.3728
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
53.03939	1.8
55.05506	11.4
57.07066	6.0
61.58198	1.7
67.05495	17.4
69.06735	1.9
69.07069	22.3
71.08637	1.9
71.23195	2.6
79.05497	10.9
81.07054	63.2
83.08631	8.4
91.05474	6.9
93.07046	26.4
94.61211	1.7
95.04987	1.9
95.08607	87.1
97.06512	1.8
97.10170	7.9
105.07020	9.5
107.04902	2.3
107.08589	31.5
109.06502	4.0
109.10159	53.8
111.11722	3.8
119.08586	14.2
121.06509	5.1
121.10146	36.0
123.11703	40.3
125.09589	8.7
129.51218	1.5
131.08580	4.5
133.10112	13.0
135.08031	2.3
135.11687	19.9
136.98148	1.5
137.09619	2.5
137.13255	31.8
139.11160	7.4
143.08563	2.0
145.10135	7.3
147.08067	3.5
147.11694	6.9
149.09645	3.3
149.13274	22.1
151.14821	4.2
157.10146	2.1
159.11691	8.0
161.13284	6.3
163.11143	1.9
163.14824	9.2
165.12711	12.3
167.10669	13.4
173.13286	7.9
175.14783	7.8
177.12794	7.5
177.16399	4.3
179.17944	2.1
185.13333	3.6
187.14891	4.2
189.12791	1.7
189.16438	4.9
191.17976	11.2
199.14870	2.8
201.16454	4.1
203.14346	3.2
203.17978	5.3
205.19563	11.6
215.17984	2.8
217.15990	2.6
217.19557	4.6
219.17485	3.0
219.21071	4.7
229.19704	2.1
231.17531	3.6
235.16954	5.2
237.18474	1.9
241.19565	2.1
243.21198	2.2
245.19049	2.6
245.22731	3.2
251.00084	1.6
251.70879	1.5
255.21179	2.4
257.22714	3.0
259.24249	1.9
271.20557	2.5
271.24112	3.7
273.22458	2.0
285.22083	3.0
291.23154	1.8
307.24585	1.5
317.24869	2.2
331.26361	1.8
393.18051	1.9
395.36530	3.1
405.35156	2.9
423.36206	77.5
424.36761	3.3
441.37323	100.0
442.37723	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	441.373
Annotation	12Z,15Z,18Z,21Z,24Z,27Z-triacontahexaenoic acid
Peak:m/z	Relative Intensity
55.05521	7.9
57.07072	4.3
64.16422	1.0
65.03931	1.5
67.05196	1.0
67.05519	14.1
69.07073	18.4
71.49175	1.5
71.49586	1.7
71.86151	1.1
79.05505	7.5
81.06593	2.4
81.07063	39.1
82.47522	1.1
83.08634	6.3
85.06544	1.7
91.05494	7.1
93.07053	16.3
95.05007	1.3
95.08616	54.3
97.06549	1.5
97.10190	7.0
105.07043	11.5
107.04935	1.4
107.08604	24.2
109.06528	3.3
109.10171	28.6
111.08077	1.4
111.11726	1.8
115.90794	1.0
117.07037	2.3
119.08591	15.6
119.53730	1.3
121.06506	4.5
121.10149	22.2
123.08082	4.6
123.11711	17.6
125.96233	1.0
129.06996	1.3
131.08571	5.3
133.06520	1.1
133.10126	10.3
135.08084	5.2
135.11697	15.3
137.09598	1.4
137.13275	15.9
139.11211	2.0
142.07799	1.1
143.08566	3.4
143.59525	1.1
145.10141	9.0
147.08069	2.7
147.11708	9.9
149.09634	3.0
149.13268	13.3
151.07561	9.2
151.11211	3.2
151.14819	3.3
157.10104	5.6
159.08070	1.8
159.11693	9.2
161.09605	3.6
161.13235	6.3
163.11169	2.1
163.14857	7.1
167.10748	1.1
169.08723	1.0
169.10156	2.6
171.11728	3.4
173.09671	1.7
173.13200	6.6
175.11139	4.2
175.14812	5.1
177.12764	3.8
177.16371	7.2
183.11618	2.8
185.13237	5.1
187.14885	5.8
189.12755	2.7
189.16422	5.5
191.14339	2.0
191.17998	7.1
193.12297	1.5
193.15935	1.6
195.11781	1.6
197.13223	1.9
199.14833	3.3
201.16382	2.9
203.14346	3.5
203.17955	4.1
205.12271	1.6
205.15894	1.6
205.19554	1.5
206.13065	1.3
207.17429	1.2
213.16508	2.4
215.14301	1.1
215.17949	4.1
217.15889	2.4
217.19536	3.1
219.13910	1.3
219.17490	1.8
227.17944	2.7
229.19508	2.1
231.13844	1.2
231.17403	1.8
231.21095	1.8
241.15813	1.1
241.19524	2.9
243.17519	2.0
243.21165	1.4
245.19099	1.7
253.19641	1.3
255.21150	2.3
257.22556	2.4
267.21051	1.9
269.22794	2.5
287.23752	1.9
322.26285	1.1
325.25342	1.8
338.90048	1.1
343.26370	24.5
395.32990	3.6
405.31494	4.6
405.35992	1.6
423.32465	10.2
423.36493	8.0
441.32272	10.3
441.38010	100.0
442.38226	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	441.3365
Annotation	Larreagenin A
Peak:m/z	Relative Intensity
55.05515	4.8
57.07061	2.9
64.85925	0.9
67.05517	6.7
69.07069	9.0
70.80077	2.3
71.04977	3.5
71.13110	1.2
79.05472	3.8
81.06601	1.2
81.07052	13.9
83.08626	6.5
85.06538	2.3
91.05462	3.7
93.07040	9.5
95.08607	16.3
97.10131	1.6
105.07024	5.7
107.08594	10.5
109.06445	0.9
109.10168	13.8
117.06915	1.4
119.08577	8.0
121.06460	2.1
121.10143	11.3
123.08083	10.5
123.11729	7.3
129.07013	1.0
131.08542	3.6
133.10167	7.5
135.07986	1.2
135.11693	7.6
137.09578	2.2
137.13261	6.2
143.08539	1.9
145.09013	0.8
145.10107	5.3
147.08058	2.4
147.11644	3.3
149.09557	1.3
149.13263	5.6
155.08598	1.3
157.10112	3.1
159.08002	1.2
159.11674	5.9
161.09607	3.2
161.13220	4.0
163.07428	1.5
163.14854	5.8
165.12700	1.2
169.10129	1.9
171.11624	3.2
173.09558	1.1
173.13272	2.6
175.11153	1.7
175.14783	4.2
177.16360	3.1
183.11678	1.6
185.13210	2.1
187.11203	1.5
187.14796	3.9
189.12685	2.3
189.16310	3.4
191.17943	17.3
193.15840	1.6
197.13345	1.6
201.16356	2.4
203.14131	1.2
203.17790	1.5
203.64134	1.1
205.19592	1.0
211.14847	1.5
211.16893	2.9
213.16391	1.3
215.14224	1.6
215.17824	1.1
217.12125	1.1
217.19519	2.2
219.13733	1.4
225.16336	1.1
231.21147	1.6
233.15178	1.8
235.13251	1.1
236.28575	1.2
242.57027	1.1
265.19479	1.2
269.22391	1.0
279.21033	2.2
335.27298	10.8
336.55576	1.3
353.28403	23.8
358.21045	0.9
371.29279	1.2
377.32095	1.8
395.32916	2.5
423.32419	3.7
441.33484	100.0
468.53418	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.7
55.01859	2.3
55.05521	5.2
57.03431	2.6
57.07066	2.6
61.02922	2.1
67.05506	4.8
68.99794	1.8
69.03432	12.9
69.07077	8.6
69.31541	7.4
71.04971	1.4
73.02895	3.0
79.05498	5.4
81.03434	6.0
81.07064	7.7
82.27995	1.1
83.04987	1.3
83.08627	4.8
85.02908	21.4
85.06548	5.3
87.00832	11.2
91.05470	6.5
91.25478	1.1
92.81289	1.3
93.07045	12.7
95.04973	1.7
95.08611	18.9
97.02901	15.4
97.06512	2.9
98.36059	0.8
99.04455	1.4
101.02357	1.7
105.01868	8.4
105.07034	14.7
107.08599	24.4
109.02892	4.7
109.06503	2.2
109.10162	13.4
111.08072	2.9
113.02374	1.1
115.03945	3.0
117.01825	2.0
117.07024	1.3
119.08588	39.3
121.06522	1.0
121.10154	33.7
123.08068	1.6
123.11691	2.9
125.02374	5.3
127.03913	9.8
129.01851	1.4
131.08563	4.1
133.10136	36.8
134.10907	1.4
135.08055	1.4
135.11691	9.5
137.09650	1.8
138.92714	1.0
143.03369	1.6
143.08546	1.1
145.04970	4.5
145.10118	10.9
147.02898	1.7
147.08000	1.3
147.11697	13.3
149.09560	1.2
149.13290	5.2
157.10114	2.9
159.02888	3.0
159.11708	4.7
160.12436	1.5
161.13266	9.7
173.13319	4.5
175.14833	100.0
177.16386	34.0
185.13327	1.4
187.14848	9.7
189.03949	1.2
189.16464	1.9
193.15894	9.4
201.16344	1.6
205.15901	24.0
217.15884	1.9
229.03409	1.4
231.05011	4.1
241.15771	1.0
247.04500	1.3
247.16966	1.1
283.16919	3.9
301.17999	3.3
319.18573	1.0
337.14276	1.4
387.18134	1.3
388.64221	1.1
405.18991	3.1
423.19949	2.5
441.21359	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	441.3361
Annotation	Larreagenin A
Peak:m/z	Relative Intensity
52.59155	0.5
55.05505	3.9
57.07052	1.8
57.15863	0.5
67.05499	3.7
69.03410	0.9
69.07063	5.2
69.92315	1.2
69.92733	2.3
71.08624	0.9
73.02930	0.9
73.20479	0.6
79.05482	4.5
81.06594	1.0
81.07056	15.0
83.04963	0.9
83.08598	3.7
85.06539	1.2
91.05493	3.5
93.07050	4.7
95.08611	15.2
97.06529	3.0
97.10183	0.9
98.21574	0.7
98.98468	1.3
99.08097	1.3
105.07050	5.2
107.04967	0.6
107.08598	9.5
109.06506	1.5
109.10142	5.2
111.08141	0.7
117.07021	1.4
119.04948	1.2
119.08572	4.8
121.06519	2.8
121.10128	7.5
123.08071	2.7
123.11703	3.9
131.08560	1.7
133.10139	4.3
135.04454	0.6
135.08105	1.0
135.11693	4.9
137.09605	1.2
137.13254	2.8
143.08540	1.3
145.10110	2.8
147.08054	1.0
147.11687	2.6
149.09624	1.0
149.13208	2.9
151.07544	8.3
153.12741	1.5
155.01085	0.7
157.10129	2.4
159.11729	3.7
161.09630	1.8
161.13242	2.1
163.07483	0.7
163.11230	1.1
163.14784	1.5
169.10016	1.3
171.11664	1.7
173.09636	0.8
173.13281	2.4
175.11211	1.2
175.14801	1.6
177.09259	0.7
177.12801	1.3
177.16389	11.8
179.10710	0.8
181.12257	2.2
183.11798	0.7
185.09666	1.1
185.13222	1.4
187.11154	1.4
187.14819	1.2
189.12743	1.4
189.16406	2.0
191.14288	0.9
191.17943	7.4
199.14845	1.3
201.12685	0.8
201.16379	1.1
203.17960	1.2
205.12329	1.4
205.15860	1.1
205.19466	0.9
207.13826	0.9
209.13327	0.7
215.17935	0.6
219.13763	0.9
219.17529	0.7
227.17877	0.7
233.15448	0.9
247.17015	0.7
255.17476	0.7
269.22702	1.2
285.18729	0.8
287.23685	2.0
289.21683	1.1
325.25229	2.3
341.24854	2.5
343.26309	14.2
370.57217	0.7
405.31430	0.8
423.32501	4.2
441.33649	100.0
442.34119	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	441.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	19.8
55.01878	41.0
55.05506	20.5
55.07620	5.9
56.99717	6.1
57.03424	13.4
60.04512	8.9
67.05503	44.4
68.99789	11.1
69.03431	51.4
69.07067	25.8
71.01343	7.6
71.04997	18.3
71.48937	11.0
73.02921	21.9
79.05486	43.3
81.03410	59.6
81.07067	35.1
83.04980	20.0
85.02909	82.4
87.00816	47.1
89.96201	6.6
91.05482	100.0
92.05828	15.6
93.07043	39.7
95.04974	25.6
95.08632	22.8
97.02881	37.1
97.06512	21.5
99.04467	18.6
103.03932	11.4
103.05460	10.1
103.86456	7.6
105.01871	13.6
105.07041	85.8
107.04984	12.5
107.08607	30.4
109.02875	26.1
109.06519	12.2
109.10176	19.1
110.68351	7.6
111.04414	11.2
111.63774	7.7
115.03938	17.6
115.05476	9.6
117.07005	58.4
119.04948	20.3
119.08575	81.5
121.06519	20.5
121.10143	22.4
123.04443	16.5
125.06075	8.9
127.03919	32.2
128.06213	17.7
129.01816	8.2
129.07013	53.5
130.07759	12.0
131.08575	84.5
133.06506	18.5
133.10110	64.2
134.96712	7.0
135.04413	7.9
135.08049	26.7
135.11736	8.6
141.06992	25.9
142.07718	13.2
143.08582	55.9
145.04922	11.6
145.06467	18.0
145.10091	66.0
147.04419	51.4
147.08073	17.0
147.11682	24.1
148.04758	23.1
149.05957	9.4
155.08574	37.9
157.06519	15.4
157.10094	53.9
159.02881	20.4
159.08115	12.1
159.11696	22.3
161.05936	11.1
161.09625	16.5
163.11163	9.8
165.07054	12.4
166.07784	7.9
167.08612	22.7
169.10121	29.6
170.07248	16.3
171.08046	18.5
171.11703	30.0
173.09642	22.1
175.07486	8.5
175.11221	33.4
175.14732	9.4
177.12708	8.1
179.10638	12.9
181.10143	21.6
183.08051	17.6
183.11612	13.5
185.09631	16.6
187.11157	37.7
189.03975	9.8
189.12759	27.0
191.08807	7.8
191.10707	25.1
193.12230	31.3
195.08052	8.7
195.11649	15.4
197.05867	8.6
197.09644	10.0
199.07545	12.3
199.11264	34.3
201.09062	8.7
201.12708	18.1
203.06961	12.9
203.10718	22.8
205.12189	43.7
211.07608	17.2
211.11147	14.3
213.12732	15.5
217.10460	7.5
217.12231	39.6
218.96909	8.7
223.11179	16.6
225.05504	27.8
226.06242	43.3
229.12250	20.2
233.11784	24.1
235.13263	40.0
237.12720	16.0
240.07777	15.4
241.08769	9.8
241.12119	9.7
245.11728	11.3
247.13269	8.6
255.13747	12.3
259.13370	17.1
265.12244	27.2
273.15109	9.6
283.13275	50.0
301.14322	38.1
319.15402	17.0
322.12057	14.4
336.89682	7.5
337.14050	58.3
337.82291	7.7
397.17157	9.3
405.15424	23.5
423.16513	39.4
423.29337	27.8
441.16431	13.3
441.24426	29.0
441.30029	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	441.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05360	1.3
55.01862	1.6
55.05524	7.7
56.05042	23.6
58.06612	2.0
61.23925	1.7
62.00682	2.2
66.02235	1.4
67.02620	1.7
69.99309	3.9
70.06590	3.0
71.49545	2.2
72.08157	15.4
73.02920	16.1
73.05315	1.7
73.06567	1.7
74.00662	6.4
84.08154	16.4
85.02898	2.0
86.09700	2.7
87.01947	6.4
88.04006	2.0
98.06068	8.0
106.06567	28.5
107.99464	2.7
109.02862	1.4
113.07127	3.9
114.02290	1.4
115.08685	19.0
117.99599	1.8
119.06075	2.8
119.99419	11.1
120.01197	14.5
127.07742	2.9
127.08691	57.1
131.06027	2.8
132.01170	6.3
132.04430	3.9
136.97221	7.9
138.00410	3.7
141.06595	89.9
141.10242	2.1
147.04433	3.4
153.99954	2.6
155.11797	15.5
157.13376	100.0
159.05997	1.7
161.10742	2.3
163.03859	3.2
165.99957	12.5
169.13373	27.9
173.10751	2.6
201.10594	2.0
205.08025	2.2
213.88225	1.5
246.12416	17.4
259.05847	1.9
261.57104	1.8
276.17026	8.5
288.17087	34.5
289.17349	1.6
322.12213	3.0
323.05472	5.4
326.10007	3.2
337.14716	1.8
441.16251	70.2
441.21176	4.3
442.15665	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	19.8
55.01878	41.0
55.05506	20.5
55.07620	5.9
56.99717	6.1
57.03424	13.4
60.04512	8.9
67.05503	44.4
68.99789	11.1
69.03431	51.4
69.07067	25.8
71.01343	7.6
71.04997	18.3
71.48937	11.0
73.02921	21.9
79.05486	43.3
81.03410	59.6
81.07067	35.1
83.04980	20.0
85.02909	82.4
87.00816	47.1
89.96201	6.6
91.05482	100.0
92.05828	15.6
93.07043	39.7
95.04974	25.6
95.08632	22.8
97.02881	37.1
97.06512	21.5
99.04467	18.6
103.03932	11.4
103.05460	10.1
103.86456	7.6
105.01871	13.6
105.07041	85.8
107.04984	12.5
107.08607	30.4
109.02875	26.1
109.06519	12.2
109.10176	19.1
110.68351	7.6
111.04414	11.2
111.63774	7.7
115.03938	17.6
115.05476	9.6
117.07005	58.4
119.04948	20.3
119.08575	81.5
121.06519	20.5
121.10143	22.4
123.04443	16.5
125.06075	8.9
127.03919	32.2
128.06213	17.7
129.01816	8.2
129.07013	53.5
130.07759	12.0
131.08575	84.5
133.06506	18.5
133.10110	64.2
134.96712	7.0
135.04413	7.9
135.08049	26.7
135.11736	8.6
141.06992	25.9
142.07718	13.2
143.08582	55.9
145.04922	11.6
145.06467	18.0
145.10091	66.0
147.04419	51.4
147.08073	17.0
147.11682	24.1
148.04758	23.1
149.05957	9.4
155.08574	37.9
157.06519	15.4
157.10094	53.9
159.02881	20.4
159.08115	12.1
159.11696	22.3
161.05936	11.1
161.09625	16.5
163.11163	9.8
165.07054	12.4
166.07784	7.9
167.08612	22.7
169.10121	29.6
170.07248	16.3
171.08046	18.5
171.11703	30.0
173.09642	22.1
175.07486	8.5
175.11221	33.4
175.14732	9.4
177.12708	8.1
179.10638	12.9
181.10143	21.6
183.08051	17.6
183.11612	13.5
185.09631	16.6
187.11157	37.7
189.03975	9.8
189.12759	27.0
191.08807	7.8
191.10707	25.1
193.12230	31.3
195.08052	8.7
195.11649	15.4
197.05867	8.6
197.09644	10.0
199.07545	12.3
199.11264	34.3
201.09062	8.7
201.12708	18.1
203.06961	12.9
203.10718	22.8
205.12189	43.7
211.07608	17.2
211.11147	14.3
213.12732	15.5
217.10460	7.5
217.12231	39.6
218.96909	8.7
223.11179	16.6
225.05504	27.8
226.06242	43.3
229.12250	20.2
233.11784	24.1
235.13263	40.0
237.12720	16.0
240.07777	15.4
241.08769	9.8
241.12119	9.7
245.11728	11.3
247.13269	8.6
255.13747	12.3
259.13370	17.1
265.12244	27.2
273.15109	9.6
283.13275	50.0
301.14322	38.1
319.15402	17.0
322.12057	14.4
336.89682	7.5
337.14050	58.3
337.82291	7.7
397.17157	9.3
405.15424	23.5
423.16513	39.4
423.29337	27.8
441.16431	13.3
441.24426	29.0
441.30029	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	440.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.7
65.03931	1.7
68.99023	0.4
71.48691	0.7
72.01765	0.4
81.07040	0.8
85.02866	0.6
91.05486	16.5
93.07038	0.5
95.08614	0.5
96.08121	0.4
97.02912	0.5
97.06523	0.6
100.11248	0.5
105.11922	0.3
110.57270	0.4
111.26192	0.4
117.43415	0.4
119.04948	30.7
120.20227	0.3
124.99990	0.5
127.03886	0.4
128.06165	0.4
131.00616	0.3
131.08626	0.5
135.35568	0.3
138.64832	0.4
141.06889	0.7
147.04413	100.0
147.13812	0.4
148.04747	1.5
157.10100	0.5
161.06001	0.4
164.07080	0.5
167.08644	0.6
182.15430	0.6
184.07315	1.0
185.09636	0.7
187.07523	2.0
194.95363	0.4
195.08028	1.2
202.08705	0.6
210.14935	0.5
213.09096	2.3
219.46375	0.4
230.11749	1.6
231.10277	0.5
241.08632	1.0
248.09186	1.3
248.12886	1.4
259.09705	0.7
276.12350	9.3
277.12418	0.5
294.13333	6.4
388.08899	0.4
440.17474	0.5
440.30374	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.8
55.05509	3.2
57.07077	29.6
59.04993	0.8
67.05500	1.6
69.07066	1.4
70.35296	1.5
70.35703	1.6
70.62470	0.7
71.08635	24.5
73.06554	6.4
79.05481	0.9
81.07041	1.9
83.08625	2.8
85.10181	24.3
87.04472	2.6
89.06032	100.0
90.06367	1.0
93.07040	2.0
95.08584	2.3
95.85505	0.8
97.10168	1.5
99.11744	2.6
105.07066	0.9
107.07082	1.9
107.08599	1.3
117.09129	2.5
121.10139	1.1
125.66199	0.9
128.20937	0.7
130.08629	2.1
131.27298	0.8
133.08606	43.6
141.16393	3.4
141.89244	0.7
169.13698	0.8
177.11221	14.8
185.19029	5.5
195.12305	2.5
219.18672	1.1
221.13820	1.5
229.21616	10.5
239.14850	1.2
273.24240	3.8
283.17526	13.6
335.27829	1.5
379.30759	1.2
423.33182	15.5
440.24863	10.9
440.34909	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28282	1.8
50.44647	1.8
52.28091	1.7
56.96563	18.5
71.48414	3.1
77.41696	1.7
84.96017	8.7
95.77095	1.9
97.17157	1.8
98.97588	100.0
110.97583	35.7
116.98632	26.0
119.01974	2.3
124.99120	5.2
126.97000	2.0
128.98618	20.2
134.99640	3.3
136.06090	2.2
137.05975	2.2
140.98590	13.7
143.00177	17.4
143.01924	3.7
146.99631	3.7
152.98627	6.7
158.99663	39.9
161.01257	7.9
163.03928	7.9
170.99644	22.4
177.00726	18.0
177.05585	2.6
182.99661	24.8
189.00732	17.9
201.00713	53.4
207.01836	3.4
213.00728	6.1
219.01790	34.1
228.98830	2.0
231.01819	4.0
237.02782	12.4
243.01761	22.9
261.02841	87.5
273.02789	11.1
279.03885	42.2
291.03821	15.9
295.06592	2.6
321.04950	34.2
333.05084	5.6
351.06027	6.7
376.71240	1.9
381.07254	4.3
441.09076	16.7
466.67880	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03972	0.4
70.06586	1.5
70.94295	0.5
78.82987	0.3
84.04513	0.4
84.67677	0.3
87.04470	0.4
91.05482	0.5
94.18523	0.4
97.02914	0.4
98.70840	0.3
104.07099	0.4
113.06010	0.5
116.16655	0.4
131.49698	0.4
134.06059	0.4
147.04419	0.3
148.07562	1.5
165.87872	0.4
169.90742	0.3
175.07549	0.4
176.07069	0.5
177.07883	2.4
178.08649	1.1
182.09673	0.4
192.06508	0.4
200.07115	0.8
200.10696	0.5
203.10645	0.4
209.08334	0.4
212.54518	0.4
214.08629	1.0
221.19292	0.3
222.09232	0.7
225.07654	0.5
228.10208	1.7
229.10979	4.4
236.10733	0.4
237.07935	0.4
238.08682	1.2
242.11708	0.8
245.09888	0.4
248.10643	0.4
249.07904	0.6
250.08673	0.5
250.12245	0.5
251.09372	0.8
252.10187	1.8
253.10965	4.4
254.08089	0.5
255.08965	0.7
258.07489	0.4
260.10818	0.7
262.08636	0.7
264.10034	0.5
265.10959	0.5
266.11655	1.8
267.08765	0.4
267.12653	0.4
269.10425	1.3
272.10889	0.5
275.09790	0.4
276.10245	1.7
277.11102	0.9
278.08563	0.4
278.11841	0.6
279.09106	0.5
280.09705	1.9
280.13208	0.8
281.10626	0.6
282.07712	1.1
283.08444	1.9
288.10272	1.6
288.13916	1.2
289.11581	0.4
290.08191	3.4
290.11368	0.5
292.09900	0.8
293.10464	0.6
294.11368	0.9
296.09158	1.8
301.11435	0.5
303.08899	0.6
304.09714	3.2
304.13260	1.3
305.10522	2.1
306.11292	9.5
306.14755	1.1
307.11966	0.7
308.09192	2.7
308.12637	0.6
310.10873	0.4
314.11761	0.6
316.13318	0.6
317.10651	0.4
318.11267	1.6
319.12036	1.3
320.09317	0.6
320.12952	0.5
321.09891	1.5
322.10678	1.3
322.14169	0.7
323.11685	1.0
324.12372	1.0
325.13022	1.4
331.08627	0.5
332.12805	1.1
333.13214	0.6
334.14423	2.2
336.12439	0.8
337.13031	0.6
339.11069	1.0
342.11749	0.4
349.09442	0.9
350.13840	2.3
352.15436	35.2
353.15973	0.9
360.12354	0.5
368.14728	0.7
378.13419	2.8
378.18350	0.6
385.53912	0.4
396.14423	100.0
397.14923	3.3
440.13495	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	439.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	13.4
56.25561	2.4
57.03430	2.5
57.07075	5.4
67.05504	35.6
69.07072	33.8
69.17580	26.3
69.54430	2.2
71.04985	4.1
71.08642	3.1
79.05495	28.1
81.07061	62.6
83.08624	14.8
91.05479	23.1
93.07043	47.9
95.04953	5.6
95.08608	92.3
97.06531	44.1
97.10149	7.2
98.20724	4.1
99.08074	5.0
105.07033	40.9
107.04996	3.2
107.08596	64.2
109.06530	2.7
109.10155	67.3
111.08101	6.1
111.11713	2.7
115.05475	2.8
117.06995	8.6
119.08591	45.3
121.06516	3.0
121.10146	59.3
123.04416	3.3
123.08076	7.6
123.11709	35.1
127.07542	8.4
129.07040	3.7
131.05005	3.0
131.08585	13.7
133.10136	40.3
135.08102	3.4
135.11688	53.2
137.09601	2.6
137.13235	11.7
139.07552	2.9
143.08551	7.2
144.09354	3.0
145.10126	23.9
147.04427	18.5
147.08133	2.7
147.11717	25.0
149.02296	2.9
149.09583	4.1
149.13266	21.1
150.02689	2.8
151.07526	3.8
151.14799	3.9
157.10133	6.7
159.11731	23.6
161.09589	5.6
161.13258	31.9
162.77095	2.4
163.14836	24.2
165.09100	3.5
167.10678	3.7
167.98358	2.5
169.10139	4.0
171.08028	5.6
171.11679	6.8
173.09650	8.7
173.13254	19.2
175.14793	16.5
177.09142	3.1
177.16339	15.3
179.10721	3.6
185.13281	4.7
187.11191	4.4
187.14885	17.5
189.16408	19.3
191.10751	5.9
191.17960	43.6
193.04918	5.3
194.05363	5.3
199.07599	3.6
199.14882	3.3
201.12721	13.8
201.16412	14.1
203.14377	4.6
203.17973	19.0
205.08591	4.6
205.12236	3.7
205.19504	6.2
207.13873	3.6
213.16426	4.8
215.14380	4.0
215.17970	6.6
217.15916	4.2
217.19537	14.2
219.08101	3.3
219.13774	14.2
219.21074	4.2
221.15437	9.2
223.07579	2.4
225.09090	7.6
228.23030	3.5
229.15974	4.7
229.19466	5.8
231.17395	3.8
231.21144	8.2
233.08061	8.7
233.15427	6.7
235.07494	2.9
235.16922	4.6
243.10188	2.9
243.17403	2.8
247.17014	8.5
249.18532	3.2
251.07080	3.7
253.08669	4.8
255.20987	2.4
261.18555	3.5
263.07425	3.0
265.08640	9.7
274.40781	2.4
275.20023	3.7
277.08560	3.8
279.10156	6.4
281.08060	7.6
282.08621	4.7
283.09570	6.1
313.10321	3.1
321.11224	5.4
323.09317	2.9
324.09735	4.4
325.10840	4.4
330.15439	2.9
335.12589	5.3
339.12289	17.6
341.10153	5.4
342.10977	9.9
343.11670	7.9
343.26483	5.9
367.15335	4.1
369.28250	3.0
379.15463	17.9
395.14813	25.9
421.16583	13.9
421.34692	13.3
439.17426	8.5
439.29199	6.8
439.35730	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	439.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.9
55.01866	0.9
55.05513	19.0
55.06237	0.8
56.96568	1.6
57.03439	1.6
57.07080	5.5
59.05004	1.4
61.54496	0.8
65.03944	2.9
67.05511	31.0
67.95208	0.8
69.03418	2.8
69.07076	28.8
71.04984	0.8
71.08665	1.4
71.49222	0.9
77.03923	1.2
79.05493	22.0
81.03421	1.6
81.07061	65.3
82.07403	1.0
83.05016	1.2
83.08624	15.7
85.02913	1.5
85.06498	1.0
85.10173	0.9
91.05482	17.4
93.07050	42.0
94.07354	1.1
95.04977	3.0
95.08613	100.0
96.08969	1.4
97.02864	1.1
97.06541	19.8
97.10174	9.4
98.97582	10.2
103.05469	1.4
105.04559	1.2
105.07040	33.3
107.04971	1.4
107.08601	66.6
109.06549	2.6
109.10162	71.4
110.10487	1.0
111.08107	6.2
111.11713	5.2
113.05993	1.0
115.05483	2.0
116.98615	2.7
117.07028	7.0
119.08587	45.5
121.06495	1.2
121.10152	63.1
123.08097	4.3
123.11713	40.1
125.05991	1.3
125.09616	1.2
128.06218	1.8
129.07011	2.8
130.07840	1.3
131.08583	14.5
133.10136	33.5
135.08109	3.2
135.11702	48.0
137.05942	1.2
137.09636	2.0
137.13257	14.0
139.07559	2.6
139.11214	1.2
143.08549	6.0
145.06458	1.3
145.10129	25.5
147.04427	2.5
147.08044	4.2
147.11693	31.4
149.06030	1.4
149.09653	2.3
149.13274	26.2
151.07585	4.0
151.11263	1.1
151.14848	3.8
153.09131	4.5
155.08533	1.3
157.10129	5.7
158.10899	2.3
158.99651	6.3
159.08081	4.0
159.11705	26.5
161.09689	3.5
161.13275	27.4
161.14630	1.6
163.07541	2.3
163.11205	2.3
163.14832	25.9
165.09120	5.3
167.10715	4.0
169.10106	2.0
170.10948	1.0
171.08087	1.9
171.11658	4.6
172.12346	1.2
173.09650	9.5
173.13269	18.3
175.11224	4.0
175.14838	18.0
177.00771	2.9
177.09160	3.4
177.16391	14.7
179.10713	2.6
179.17953	2.2
181.12271	1.4
183.11755	2.2
185.09610	1.1
185.13280	3.6
187.11218	2.9
187.14841	13.5
189.12825	2.8
189.16397	16.1
191.07060	1.8
191.10693	7.7
191.14276	2.7
191.17958	36.3
193.12279	2.2
193.19475	1.1
195.13814	0.9
197.13251	1.5
199.07538	1.8
199.11172	1.2
199.14848	3.1
200.04308	1.3
201.12755	15.4
201.16374	8.9
203.14363	3.4
203.17976	15.2
205.08603	1.2
205.12338	3.9
205.19534	6.5
207.13884	3.4
209.13409	1.0
209.15402	2.8
213.12732	1.6
213.16437	4.4
215.14410	5.2
215.17973	4.9
217.12276	1.9
217.15997	2.8
217.19516	11.9
219.01802	6.0
219.13826	19.1
219.21104	4.7
221.15343	6.0
227.14442	1.5
227.18016	3.0
229.15938	6.1
229.19476	6.1
231.13899	1.8
231.17520	1.6
231.21062	8.8
233.08122	2.9
233.15384	7.0
235.07640	1.6
235.16919	5.8
239.17975	1.1
241.19577	2.1
243.17494	2.5
243.21198	2.5
247.16959	12.0
249.18422	2.2
251.07260	1.7
253.08749	1.6
255.20955	2.3
257.19040	1.0
257.22656	2.0
259.16864	0.9
259.24255	1.7
261.18619	3.0
263.20135	1.1
265.08630	2.5
269.22754	1.5
271.24298	3.5
273.18637	1.3
275.20142	2.8
278.17279	1.2
279.03885	2.2
279.10205	3.2
281.08160	1.8
283.09738	1.2
285.25677	1.8
287.20074	1.1
289.21539	2.0
291.22922	0.9
293.11554	1.0
297.25824	1.3
301.21652	1.5
307.13297	1.0
311.23486	1.1
315.23123	2.1
317.24518	1.0
321.11221	1.8
323.09305	1.2
325.10562	1.3
325.25272	1.3
329.24734	3.6
335.12610	2.0
339.12225	7.3
343.11703	1.3
343.26376	4.0
351.14978	1.2
353.10352	1.7
355.26331	3.1
357.27365	1.0
365.32251	2.3
367.15451	2.1
369.27869	3.4
377.13843	1.3
379.15329	6.0
383.29523	1.9
393.35291	3.6
394.71881	1.0
395.14938	13.2
395.36768	2.7
403.33994	1.3
419.21866	1.5
421.16498	4.9
421.34882	13.0
439.17642	4.1
439.35812	86.4
440.36160	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	439.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26641	2.1
52.28949	1.7
53.03937	2.7
55.05512	12.6
57.07066	6.2
66.36056	1.9
67.05505	25.8
69.07073	25.8
70.55480	5.7
79.05488	20.3
81.06593	3.2
81.07059	56.3
82.12749	2.1
83.08626	13.7
87.40311	2.0
91.05480	16.0
93.07045	44.0
95.04956	3.5
95.08611	100.0
96.46779	1.7
97.06525	6.2
97.10176	6.3
103.05476	1.8
105.06319	2.2
105.07035	38.9
107.08601	60.8
109.06507	3.5
109.10165	66.5
111.08129	4.4
111.11730	4.5
117.07011	5.8
119.05015	2.1
119.08585	54.7
121.10149	66.5
123.08094	5.5
123.11723	30.9
129.06992	2.3
131.08562	13.1
133.10136	33.1
135.11697	42.9
137.13272	13.1
143.08597	3.3
145.10133	20.4
147.04385	4.7
147.11690	29.3
149.13266	25.6
151.07640	2.9
153.09094	4.1
153.12798	2.0
157.10167	6.5
158.10950	2.0
159.08075	2.7
159.11699	28.4
161.09622	2.2
161.13283	32.9
163.14824	26.7
165.09108	4.1
167.10675	5.0
171.11749	2.9
173.09683	6.5
173.13257	16.6
175.11325	2.7
175.14818	18.8
177.09200	2.9
177.16374	14.0
179.10709	3.0
185.13353	3.2
187.11218	2.0
187.14890	11.2
189.16368	18.1
191.10745	6.8
191.14386	2.4
191.17973	45.6
193.12270	3.2
199.14731	2.6
201.12683	11.0
201.16339	9.0
203.14398	2.1
203.17986	19.1
205.12296	2.5
205.19534	7.6
207.13885	3.9
209.15308	2.4
212.98669	1.7
213.16374	2.9
215.14410	2.6
215.17960	4.9
217.15904	2.2
217.19498	15.0
219.13786	13.5
221.15456	6.7
229.19482	5.8
231.21104	8.3
233.15428	4.4
235.16982	6.6
243.17728	2.0
243.21013	2.2
247.17003	8.3
249.18413	2.3
261.18387	3.4
269.22629	3.3
271.24127	2.4
271.38419	2.4
329.24979	3.3
343.26346	6.1
355.26627	3.4
369.27985	2.8
383.29633	2.7
393.35504	2.5
421.34763	7.3
433.92731	2.4
439.35791	74.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05401	0.6
51.11711	0.6
55.05513	4.0
57.07061	1.9
63.55529	0.7
65.06087	0.7
67.05507	3.9
67.58801	0.7
69.07067	8.3
70.74399	1.3
70.74754	1.3
79.05495	3.9
81.07053	12.8
83.08604	3.3
91.05475	2.0
93.07050	9.9
95.07989	1.2
95.08607	22.2
97.06479	0.9
97.10155	2.8
105.07008	2.7
107.08592	17.3
109.10155	13.2
117.06973	0.9
119.08584	3.7
121.06482	1.4
121.10149	16.9
123.08054	1.0
123.11696	3.3
131.08560	3.4
133.10147	2.0
135.08083	3.4
135.11693	18.2
137.13254	2.7
139.58670	0.9
143.08565	1.1
143.54213	0.7
145.10115	3.2
147.11688	2.4
149.09616	4.1
149.13261	8.2
159.11649	1.5
163.07532	4.6
163.14824	8.9
171.11665	0.7
173.09656	1.4
173.13394	0.9
175.14832	1.0
177.16444	1.9
187.14816	1.3
189.16423	2.1
191.17950	100.0
192.18239	1.3
197.13326	1.3
205.15866	6.3
215.14188	1.5
215.17920	1.6
219.17497	0.9
227.17998	0.9
233.15367	43.0
243.17436	1.2
249.18672	1.2
251.16446	2.6
261.18530	3.7
303.23172	2.1
315.23224	3.0
399.82846	0.7
402.78613	0.7
403.33765	1.5
439.35733	32.3
440.36160	1.2
463.46857	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.7
55.01868	4.8
55.05515	17.7
57.03439	3.0
57.07077	5.6
65.03938	5.2
66.38261	2.1
67.05508	37.7
69.03455	3.0
69.07067	30.2
69.36980	11.3
69.37408	8.0
71.04975	2.7
71.08628	2.8
73.67129	2.5
79.05497	22.9
81.07058	66.8
81.96601	2.2
83.04971	3.9
83.08611	15.8
91.05472	21.1
93.07046	51.6
95.04972	3.9
95.08609	100.0
97.06532	46.9
97.10170	7.9
99.04465	3.0
105.07040	38.1
107.08596	64.9
109.06549	3.3
109.10162	70.2
111.08096	4.3
117.03470	2.3
117.07027	8.4
119.08583	50.4
121.06522	5.6
121.10151	68.5
123.08087	5.0
123.11707	42.6
127.07645	4.9
129.07007	2.9
131.08607	17.1
133.10138	37.1
135.08051	5.5
135.11699	47.6
137.06102	2.4
137.13213	12.3
139.07491	3.7
143.08582	7.1
145.10124	28.4
147.04437	6.9
147.08160	3.9
147.11679	31.3
149.02339	2.4
149.09615	4.1
149.13255	25.1
151.07539	3.7
151.14891	4.3
157.10175	4.3
159.08070	4.2
159.11696	21.5
161.09659	4.8
161.13261	33.0
163.07555	3.7
163.11177	3.1
163.14839	25.2
165.09140	4.8
167.10680	4.2
171.08076	5.5
171.11671	4.9
173.09633	9.7
173.13260	18.3
175.11217	4.0
175.14851	15.6
177.09100	2.7
177.16409	18.4
179.10594	4.0
185.13258	4.0
187.11261	4.1
187.14803	17.4
189.16383	15.6
191.10721	7.7
191.17943	36.2
193.05013	5.1
193.12294	4.9
199.07542	4.7
199.14807	3.7
201.12762	13.4
201.16403	7.0
203.14441	3.0
203.17932	16.2
205.19583	6.0
207.13831	5.1
209.15443	2.6
213.12732	3.0
213.16422	7.3
215.14346	5.4
215.17978	4.6
217.15819	4.5
217.19460	16.9
217.74428	2.8
219.10052	3.2
219.13766	21.3
219.21126	5.3
221.15398	10.8
225.27832	2.6
227.17879	2.9
229.16075	4.4
229.19556	8.0
231.21190	6.1
233.08163	8.3
233.15417	6.7
235.16949	5.1
247.16991	8.3
251.06952	3.8
261.08929	2.4
261.18582	3.8
265.08575	7.9
273.18747	2.8
279.10226	8.8
281.08121	3.6
283.09756	3.8
321.11160	6.9
323.09262	4.0
329.24805	5.9
335.12714	3.1
339.12262	25.4
341.10001	3.9
343.11688	4.0
343.26285	6.3
353.10284	3.2
367.15262	3.3
377.14005	4.0
379.15390	20.1
383.29691	3.2
393.35394	3.7
395.14847	28.6
395.36908	2.6
421.16495	11.6
421.34781	13.8
439.17130	15.5
439.29886	4.4
439.35803	97.8
440.35870	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	439.357
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
55.05503	4.4
56.78977	1.2
57.07064	1.7
59.33300	1.1
60.49369	1.2
65.03939	1.4
67.05505	6.5
69.07062	11.3
70.80006	3.4
73.93096	1.4
74.74178	1.1
79.05483	3.6
81.07056	17.2
83.08606	4.8
85.25924	1.2
91.05458	3.0
93.07045	11.1
95.08614	23.2
97.06523	2.2
97.10160	2.3
105.07050	6.4
107.08588	20.3
109.06506	2.4
109.10155	19.6
117.07013	1.3
119.08587	7.5
121.06516	3.3
121.10135	17.8
123.11704	4.7
131.08571	4.9
133.10132	6.7
134.92563	1.2
135.08067	6.4
135.11681	18.0
137.09628	3.1
137.13213	3.7
143.08607	1.4
145.10149	9.6
147.08044	1.9
147.11681	3.8
149.09612	4.1
149.13257	10.6
157.10135	1.8
159.11726	3.9
161.09601	6.7
163.07492	3.8
163.11230	1.3
163.14838	10.5
169.10056	2.2
171.11696	2.1
173.13200	3.3
175.14775	2.3
177.16446	3.7
187.14824	6.0
189.16383	5.5
191.17949	100.0
201.16408	5.3
205.15904	7.6
205.19519	5.9
215.14305	3.9
215.18016	1.9
217.15880	22.2
227.17581	1.3
233.15364	53.7
235.16907	9.9
243.17551	4.2
249.18510	2.5
261.18512	5.3
303.22937	1.6
315.23419	1.5
403.33591	1.8
421.34708	8.2
439.35721	66.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	9.9
55.01866	7.2
55.05505	9.6
57.03433	7.9
57.07074	4.7
59.05351	2.2
59.75209	2.6
61.02907	3.2
66.81531	2.9
67.05492	11.5
68.99787	6.9
69.03442	25.8
69.07059	9.9
71.04993	5.7
71.48609	4.5
74.42862	2.8
79.05498	14.5
81.03426	36.0
81.07060	27.0
83.04980	12.7
83.08624	6.7
84.94414	2.3
85.02907	17.6
85.06552	3.3
87.00826	12.5
91.05489	19.0
93.07059	24.1
95.04995	16.1
95.08624	18.3
97.02901	21.3
97.06529	8.0
99.04442	6.4
103.05496	2.7
105.07043	26.6
107.04971	3.6
107.08604	23.6
109.02882	33.6
109.06530	22.0
109.10158	23.2
110.42980	2.7
111.04439	6.7
111.08087	9.8
113.06067	3.5
117.07027	6.2
119.08585	29.5
121.06507	11.1
121.10139	28.1
123.04428	5.0
123.08073	20.0
123.11710	5.5
125.06024	3.3
127.03925	33.9
129.06999	4.0
131.08568	28.4
133.10136	24.6
135.08080	19.6
135.11700	9.9
137.05998	12.2
137.09647	6.4
138.51115	2.7
139.07614	2.6
142.07889	2.5
143.08546	5.1
145.04929	2.8
145.06500	3.5
145.10168	13.3
147.08057	5.8
147.11717	14.9
149.06047	4.0
149.09636	8.3
149.13301	17.5
150.10359	4.5
151.07526	7.4
153.09116	8.6
157.10034	2.8
158.10963	4.2
159.11670	6.4
161.05997	3.4
161.09529	4.6
161.13269	6.2
163.07584	3.9
163.11201	5.8
163.14832	10.4
165.09056	3.3
165.12845	4.8
171.11642	4.5
173.09633	3.0
173.13271	34.0
174.17368	2.4
175.07593	4.3
175.11185	4.5
175.14861	12.6
177.12817	2.8
179.07048	3.2
179.10680	2.7
181.10052	2.4
187.14795	2.8
189.09131	2.8
189.12737	9.5
191.06985	2.8
191.14317	100.0
203.14276	4.1
207.13857	4.4
209.15346	8.5
213.03940	5.7
231.04900	4.4
233.15450	3.3
248.74709	2.5
257.15421	3.2
275.16229	4.9
277.04819	3.3
299.16336	6.7
317.17450	5.7
353.19400	4.4
421.18433	10.7
439.19937	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02769	1.2
81.03419	1.5
84.04491	1.5
89.03883	1.1
90.75153	1.2
93.60976	1.4
112.03991	1.2
135.04466	1.6
144.04491	1.8
146.05978	3.6
162.05508	67.5
163.03940	2.8
165.10776	1.2
165.22903	1.2
189.03268	1.8
190.04993	100.0
191.05273	1.8
197.00948	1.1
274.21921	1.5
438.23022	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	438.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19025	1.5
55.05510	2.6
57.07077	75.4
69.07066	8.5
69.20321	5.9
69.20740	11.5
71.08634	65.3
72.09732	1.6
73.06547	3.8
79.05492	2.0
83.62117	1.6
85.10180	38.7
89.06032	100.0
91.05460	1.9
93.07066	1.9
94.15832	1.7
95.08598	3.3
97.10158	2.1
99.11717	8.9
104.27687	1.6
105.07008	3.3
111.11711	4.4
113.13277	5.2
119.08573	2.4
127.14819	3.7
133.08606	62.0
133.10136	2.5
141.55995	1.7
151.09659	3.9
177.11206	15.1
195.12196	4.7
219.39499	2.0
221.13776	3.3
227.23645	2.1
239.14902	45.0
271.26425	2.1
315.29132	3.1
332.78171	2.0
409.08026	1.9
421.35251	34.4
438.30240	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	439.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.2
55.05505	3.1
57.03415	1.3
59.99113	8.8
60.04514	2.8
60.08164	11.5
65.21676	1.0
67.05488	1.2
69.03441	6.2
70.68662	0.8
70.68998	2.4
72.08141	2.2
73.02911	0.8
73.06561	7.3
77.01742	2.4
79.05483	1.1
81.03415	7.8
81.07048	1.8
85.02911	7.6
87.00822	5.3
89.04250	1.4
90.09193	100.0
91.05475	1.2
95.08599	1.2
97.02885	5.2
97.06512	1.0
99.04449	3.2
102.03765	3.9
105.01841	2.9
106.85117	0.8
107.08575	1.1
109.02896	6.2
117.01839	1.3
119.04966	1.2
119.05605	1.5
119.06399	22.0
119.08492	1.2
126.05525	2.3
127.03907	9.0
131.06372	1.2
132.10190	2.5
133.10143	1.4
135.11652	1.1
137.64673	0.8
145.04907	2.1
147.04442	4.7
159.02879	3.1
173.11108	5.5
189.16418	1.0
191.12129	55.7
231.04997	1.5
252.14464	0.9
296.81769	1.0
302.12061	1.1
320.13177	1.7
338.14462	28.2
353.17123	1.1
377.25345	0.9
390.49744	1.0
395.14520	1.0
414.10349	0.9
439.17453	5.2
439.22855	1.5
439.35968	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3414
Annotation	Petrosiacetylene D
Peak:m/z	Relative Intensity
53.03948	0.6
55.01862	1.4
55.05518	2.7
57.07080	3.2
62.88002	0.5
65.03957	0.4
67.05504	4.3
69.03396	0.7
69.07065	5.7
69.94102	1.3
69.94501	0.8
71.08642	0.6
79.05497	3.9
81.07055	9.5
83.04971	0.6
83.08608	2.8
85.10181	0.7
91.05479	3.0
93.07056	5.8
95.04955	1.8
95.08610	18.7
95.52853	0.5
97.06535	5.1
97.10171	1.7
103.05399	0.5
105.07014	6.0
107.04959	0.6
107.08598	9.9
109.06496	0.9
109.09475	1.0
109.10162	11.6
115.37254	0.5
117.07044	0.5
119.08574	7.5
121.06503	1.0
121.10140	8.8
123.08057	1.0
123.11713	2.9
125.06034	0.8
129.07019	0.5
131.08563	2.0
133.06497	1.8
133.10133	6.4
135.11688	12.3
137.13251	2.5
142.07841	0.6
143.08644	2.4
145.10136	2.6
146.07248	0.9
147.08041	4.5
147.11612	2.6
149.09662	0.8
149.13274	6.6
153.27098	0.6
155.08525	0.6
157.10094	2.6
159.11758	1.7
160.08911	0.6
161.09618	16.3
161.13252	1.2
163.11229	1.2
170.10901	1.6
171.11644	0.7
173.09714	0.7
173.13199	1.0
175.14835	2.9
177.16472	0.6
183.11688	0.7
185.13268	3.2
187.14874	1.3
189.09062	0.6
189.16393	1.6
191.17940	45.7
192.18333	0.7
199.11150	0.8
199.14822	0.8
201.12701	0.5
203.14351	3.9
205.15889	3.0
213.16328	0.8
215.17874	0.6
217.15961	2.2
219.36372	0.5
225.16454	0.6
229.16029	0.7
231.13803	31.5
241.15906	0.8
243.17453	1.2
247.16815	2.8
249.14816	1.2
259.16977	5.5
273.18362	0.7
283.20605	1.1
295.20703	0.6
301.21735	1.9
313.21704	1.4
338.03723	0.6
367.28458	1.1
419.33023	1.1
437.34155	100.0
438.34854	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	437.2898
Annotation	Erigerol
Peak:m/z	Relative Intensity
51.11222	1.9
55.05511	10.1
57.07070	4.1
57.87600	1.7
65.63874	1.8
67.05510	22.5
69.07068	19.6
71.04975	2.3
71.22868	4.1
79.05482	5.2
81.07056	27.3
83.08614	16.0
89.03906	7.2
91.05480	3.2
93.07060	3.7
95.08604	25.9
97.10171	13.1
105.07021	3.1
107.04979	2.4
107.08569	3.6
109.10163	19.7
111.11740	5.1
117.03370	8.0
119.08619	2.9
121.10160	2.3
123.11713	7.7
124.07190	1.7
125.13291	2.8
126.32549	1.8
131.08553	2.1
134.18684	1.6
135.04391	17.9
135.11789	2.1
137.06033	2.5
137.13251	4.0
143.08467	1.9
145.02840	15.2
145.10143	2.7
147.11665	2.0
151.14810	2.5
159.11681	2.7
163.03902	100.0
165.16570	1.8
171.11673	1.9
171.78792	1.6
172.24600	1.5
181.04944	9.4
182.70871	2.0
221.22591	3.2
239.23738	4.9
257.24707	4.5
437.34302	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	437.3412
Annotation	Petrosiacetylene D
Peak:m/z	Relative Intensity
53.03931	0.5
53.78697	0.4
55.01868	2.1
55.05523	2.6
57.06824	0.6
57.07075	4.6
67.05511	3.9
69.03420	0.5
69.07072	7.2
71.08627	2.6
71.23165	1.0
79.05498	4.6
81.07060	9.9
83.04981	1.6
83.08620	3.4
85.10176	1.3
89.05984	0.6
91.05486	1.3
93.07038	3.4
95.04967	2.3
95.08619	10.1
97.06529	7.7
97.10178	1.3
101.91734	0.5
105.07030	3.4
107.04958	0.8
107.08601	4.5
109.06527	1.1
109.10175	5.5
111.11731	2.4
119.08590	5.1
121.06548	0.8
121.10139	4.2
123.11713	3.5
125.05951	2.4
125.09632	0.6
131.08585	3.3
133.08612	0.8
133.10136	2.9
135.08083	1.4
135.11667	3.2
137.09618	0.8
137.13280	2.0
139.07608	0.7
139.11206	0.9
141.88832	0.5
143.08571	1.3
145.10126	3.0
147.08073	0.9
147.11687	1.7
149.09619	0.6
149.13274	2.4
155.08536	1.4
157.10089	2.5
159.08115	1.1
159.10590	0.5
159.11697	2.6
161.09654	1.6
161.13326	1.9
163.07542	1.4
163.11200	0.8
163.14813	2.7
169.10139	1.7
171.11703	1.6
173.09642	2.1
173.13287	1.7
175.11246	1.2
175.14900	0.6
183.11725	2.2
185.09731	0.6
185.13297	0.9
187.11247	0.9
187.14912	2.6
189.16394	1.3
191.17996	1.4
195.11679	0.6
197.13293	1.8
199.14877	1.2
201.09103	1.1
201.12825	1.9
201.16367	1.2
205.15903	2.7
205.19615	0.5
211.14888	1.1
213.12904	1.1
213.16423	0.5
215.14314	1.8
223.14697	0.7
225.12796	1.0
227.14319	1.0
229.12454	0.6
229.15886	0.7
231.17444	0.8
233.15382	5.5
238.13625	0.6
239.14592	0.6
239.18002	1.0
243.13875	0.6
255.17366	1.0
257.19119	2.1
259.17001	1.3
269.19092	0.7
281.19168	1.5
285.18518	1.0
295.20673	0.5
299.20065	17.7
301.21622	0.9
313.21780	1.2
367.28528	1.8
419.33102	3.1
437.34177	100.0
438.34586	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	437.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87535	0.6
55.01892	0.5
55.05510	2.7
57.03427	1.5
60.04525	0.6
60.08160	2.5
61.04041	1.3
67.05500	0.7
69.03422	2.5
70.06595	0.5
71.04969	0.8
71.48788	0.9
72.08154	0.8
73.02914	0.5
73.06554	5.8
79.76057	0.5
80.64900	0.6
81.03425	3.0
81.07042	0.9
81.95802	0.6
83.05009	1.3
85.02890	4.5
87.00829	0.7
90.09193	100.0
91.05473	2.1
93.07031	1.3
95.04958	0.6
97.02888	2.6
97.66142	0.6
99.04459	1.0
100.44489	0.5
101.02394	2.4
103.08715	3.2
104.91595	0.5
105.01855	1.0
107.04916	1.4
107.08611	1.0
108.04504	0.8
108.08952	0.7
109.02890	2.1
111.02268	0.6
111.04465	1.7
111.59364	0.6
119.03410	1.6
119.04945	3.0
126.05547	1.1
127.03917	2.8
128.04318	0.6
135.11676	1.1
136.12025	1.1
137.05980	1.1
145.04950	1.1
145.10046	0.6
147.04404	10.1
149.06071	0.6
149.14954	0.5
151.03853	0.7
153.12817	1.1
157.13367	1.0
163.03786	0.8
171.13821	0.9
172.14188	1.0
175.14423	59.3
176.14769	0.6
177.05487	1.1
178.08618	0.7
187.07639	0.7
201.09218	0.6
338.62335	0.6
352.16006	4.6
352.19989	0.7
437.14246	2.0
437.22412	0.9
441.34769	0.6
456.83853	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	4.0
61.93986	1.9
67.05498	5.7
69.03403	3.4
69.07061	4.1
69.18209	14.5
69.18628	7.1
71.04997	2.4
79.05486	5.8
81.03409	2.8
81.07068	16.6
83.04995	1.9
85.02931	3.4
91.05470	9.8
93.07040	19.6
95.04969	7.5
95.08611	15.6
97.02930	3.4
97.06531	26.3
105.07036	43.7
107.08600	10.4
109.10160	3.5
119.08592	28.8
121.10128	4.7
131.08583	3.6
131.84740	2.2
133.10104	16.4
135.11697	3.5
137.05943	2.9
143.08574	3.4
145.10109	2.9
147.04398	6.4
147.11633	2.8
149.13226	5.3
150.14453	2.2
155.10690	3.3
159.11708	5.8
161.13257	40.4
161.97049	2.0
163.14844	2.6
175.14859	3.6
179.14285	2.2
203.14352	8.1
221.15369	30.6
234.50177	2.0
239.16428	100.0
294.07458	1.9
374.13763	2.5
383.21484	2.1
436.14352	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	436.2112
Annotation	Cryogenine
Peak:m/z	Relative Intensity
55.01870	12.3
55.05513	11.3
56.05026	1.8
57.07077	5.5
58.99589	10.6
59.06127	0.9
59.52239	0.8
61.01149	3.2
61.19125	0.9
62.99078	10.1
65.03961	0.9
66.94202	1.0
67.05499	8.0
67.31976	0.8
69.07069	100.0
69.44942	4.5
69.45359	1.9
70.02941	3.3
73.01134	2.9
74.00243	0.9
74.00665	18.1
76.02238	5.7
76.03995	5.6
77.00616	1.0
78.03777	1.4
79.05487	2.1
81.07056	1.2
83.06107	6.6
83.08617	4.0
84.04505	46.7
85.01126	1.7
85.04037	4.1
85.09038	0.9
86.99058	7.8
87.02692	39.3
88.02212	12.4
88.03995	1.4
90.22154	0.9
92.01704	1.2
93.07036	2.3
97.10178	1.4
98.21507	1.2
99.02683	4.5
99.05576	2.9
101.04253	5.5
102.05558	1.0
107.08620	1.8
109.10165	6.8
111.11729	12.3
112.03969	12.9
113.03514	1.0
113.04230	2.6
116.01679	40.4
127.05813	1.9
129.06593	11.9
130.05002	58.8
131.04549	2.9
135.11664	2.4
142.03201	1.7
143.08896	22.9
144.01154	20.5
145.06087	9.3
155.08174	1.2
159.08403	19.9
160.00592	1.0
161.09959	29.4
162.02205	81.8
169.10442	12.7
170.02774	1.0
174.02217	1.6
177.03290	8.1
179.04919	1.3
185.03810	1.3
186.13133	9.4
186.14758	1.3
187.11526	23.0
191.04916	0.8
199.07239	1.2
203.97159	0.9
204.14166	9.6
215.11151	1.1
216.16136	0.8
233.12129	1.7
257.73447	0.9
272.13147	43.7
273.13361	1.1
289.15790	15.8
290.14200	59.0
291.14471	1.4
307.16843	28.7
343.16788	2.6
361.17914	29.1
373.17963	1.6
418.20148	2.3
419.18164	1.3
436.21082	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	436.218
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65281	4.4
53.03942	11.3
55.05510	10.6
57.03417	7.0
60.32248	4.7
61.02946	6.1
67.05488	11.2
69.03434	29.5
69.07059	6.4
69.26688	12.1
69.27093	35.6
71.05001	9.1
79.05497	14.2
80.85582	4.7
81.03429	27.2
81.07051	24.3
83.05006	4.9
83.08632	23.7
85.02909	75.9
85.89069	5.0
87.00837	30.1
91.05475	33.1
91.33540	5.4
93.07048	99.7
95.04964	8.1
95.08624	27.5
97.02888	32.8
97.06534	12.1
99.04433	11.5
101.38181	5.7
105.01890	57.6
105.07038	11.1
107.08604	100.0
109.02879	20.7
109.06491	8.7
109.10156	9.5
119.08582	9.7
127.03925	50.5
131.08582	5.7
135.11708	62.0
137.05988	9.4
145.04967	23.5
164.07031	25.0
184.07501	9.5
231.04990	16.9
249.06085	6.9
256.19794	6.0
303.28931	5.5
386.14642	5.9
432.24985	5.4
436.21729	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	435.2745
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
55.05504	5.6
57.07061	2.4
67.05505	20.6
67.80254	1.7
69.07066	5.3
70.06586	6.4
71.05006	2.1
79.05509	9.5
81.07059	37.7
83.08626	5.5
88.07613	6.2
89.03916	3.7
91.05488	5.4
93.07056	13.7
95.04955	2.4
95.08604	25.2
97.06540	2.4
97.10185	4.4
102.09184	5.6
105.07037	3.8
107.04990	2.8
107.08604	6.2
109.06571	3.6
109.10156	8.6
117.03367	7.1
121.10147	10.9
123.11687	15.2
131.08537	2.3
135.04416	14.2
135.11696	9.9
137.13258	6.0
143.08440	1.9
145.02853	11.4
145.10092	2.2
148.89789	1.9
149.13258	2.6
157.10129	2.1
163.03906	100.0
163.14796	2.1
176.01694	2.1
181.04976	17.5
184.07260	2.5
207.06549	21.0
219.21098	4.0
237.22267	3.3
256.26361	13.1
266.74835	1.9
279.45941	2.6
304.92389	2.1
435.27267	8.0
435.38599	3.8
436.30621	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	434.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	3.3
67.05508	15.2
71.49084	3.9
79.05502	8.6
81.07062	10.0
91.05498	9.0
93.07036	3.2
95.04958	3.7
95.08637	14.2
105.07035	35.2
105.45004	2.6
107.08599	3.9
109.06458	3.1
109.10155	5.6
119.04970	10.2
119.08555	3.4
121.10167	11.0
123.08083	5.9
133.06506	100.0
133.07513	4.7
135.11731	7.0
147.04408	42.4
149.13240	2.7
161.51428	2.5
165.05487	17.1
184.07382	6.8
234.74374	3.3
235.20535	3.9
236.14900	3.2
254.21692	3.3
264.64560	2.9
370.83130	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	435.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24965	0.4
55.43221	0.4
64.56115	0.4
69.03452	0.5
70.06601	0.4
71.48132	0.5
71.48649	0.5
73.02917	0.4
84.08147	0.6
85.02895	0.9
87.36332	0.5
95.04954	0.4
120.08143	0.4
137.05949	0.6
144.05692	1.2
147.55753	0.4
157.10107	0.5
163.03877	0.5
172.05292	2.2
177.46744	0.4
180.99637	0.4
184.52609	0.4
187.07538	10.6
229.08748	0.6
273.16724	12.4
287.05377	0.8
288.05847	0.5
289.06091	1.2
378.39636	0.5
435.22025	100.0
436.13361	0.6
436.22537	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	3.0
57.07072	4.1
58.06578	2.7
59.04996	3.2
61.56840	1.6
67.05491	3.6
69.07037	2.6
70.06594	20.6
70.93441	2.0
71.08617	3.0
72.08132	1.7
79.05499	3.8
81.07057	6.2
83.08624	2.6
84.08135	4.3
86.09696	5.3
88.07630	3.9
89.06030	5.2
91.05477	5.7
93.07050	10.3
95.08595	4.4
101.81244	2.0
105.07028	7.7
106.07297	2.1
107.08601	24.7
114.09183	2.0
119.08567	4.3
121.10151	8.9
131.08545	3.3
132.10220	7.3
133.10144	4.5
135.11717	1.7
146.11801	9.8
147.11752	3.4
149.13283	21.9
159.11671	4.3
163.11070	2.0
168.99174	2.1
170.85458	1.8
176.12877	2.3
177.12721	2.1
177.34966	1.8
184.07333	2.3
190.14389	1.9
191.14389	2.5
219.13817	3.0
232.18774	1.7
237.14883	2.9
240.26831	1.9
266.28400	2.5
284.29343	1.7
328.32114	38.0
347.36600	1.6
372.34747	15.8
434.25626	3.0
434.38446	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
60.92390	5.9
67.05486	16.4
67.51443	5.1
69.88748	22.2
71.04992	5.0
77.85533	5.9
79.05500	8.8
81.07047	16.5
83.04996	5.3
86.09694	9.7
92.94147	5.2
93.07031	8.4
95.08605	18.4
109.10204	11.8
119.04963	21.2
120.57436	5.1
121.10138	28.0
121.40961	5.4
133.06514	6.6
135.11673	23.9
147.04419	100.0
165.05493	42.2
184.07451	6.4
217.19576	6.0
235.20575	13.4
310.17551	5.6
318.76984	5.6
346.25180	5.0
378.92899	6.7
396.14746	5.9
434.29874	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	434.239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	11.6
59.04996	14.3
67.05514	25.7
69.07069	14.6
70.67944	18.6
77.60125	6.3
79.05500	35.5
80.81922	7.4
81.07049	36.3
83.05014	7.5
86.83092	6.9
91.05479	60.3
92.05804	7.4
93.07047	54.2
95.04973	23.7
95.08629	23.4
97.06559	8.1
105.01873	13.0
105.07042	68.3
107.08600	100.0
109.06535	6.9
113.44101	6.6
117.07048	12.8
119.08604	29.8
121.06477	8.6
121.10162	37.3
125.00000	10.5
131.08588	39.5
133.06526	7.4
133.10129	50.9
135.08041	7.9
135.11719	24.7
142.07785	8.4
143.08658	7.7
145.10127	14.7
147.11687	27.3
147.31491	6.6
149.13255	81.7
151.11134	9.5
159.11717	35.7
163.07535	7.5
165.37804	6.3
166.24675	7.6
173.13321	17.5
175.11200	16.1
175.14856	7.6
177.12779	19.7
184.07355	25.0
191.14459	7.7
201.12772	23.7
219.13884	35.0
237.14821	10.0
269.84113	7.6
334.09796	7.0
346.56424	6.8
434.25891	94.4
434.38303	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	434.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.3
57.03201	2.1
57.03434	25.7
57.84832	1.8
59.04995	5.1
60.04507	2.9
61.02908	5.2
61.22216	1.6
64.71839	1.6
69.03431	81.0
70.04280	7.0
73.02892	5.2
73.61192	1.6
75.04471	1.9
75.81521	1.5
81.03401	6.4
85.02905	95.9
87.04469	62.2
91.03931	4.3
97.02892	83.4
99.04448	5.2
103.03919	2.1
105.07009	7.5
109.02876	5.8
115.03933	100.0
127.03925	14.8
133.04971	92.8
141.06944	2.0
145.04956	35.2
147.07939	2.3
150.07603	12.2
156.64629	1.8
163.06036	16.4
163.82523	1.9
171.08089	1.7
201.09039	2.8
219.10132	2.0
241.06898	2.4
259.08145	4.0
272.16458	2.8
277.09219	3.3
288.05737	2.3
295.10281	3.4
298.08118	1.9
427.53604	1.9
434.27887	2.0
435.21631	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	434.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.4
55.95041	1.0
57.03438	22.9
59.04990	2.9
60.04502	2.2
61.02917	4.7
69.03430	79.3
71.04974	1.6
71.48623	1.4
73.02903	4.1
75.04481	1.1
79.20141	1.1
81.03413	5.8
85.02906	91.3
87.04469	58.2
87.76182	1.2
91.03963	2.1
93.83475	1.0
97.02893	70.1
99.04443	3.3
105.07024	8.2
109.02869	5.1
115.03933	96.1
123.04453	1.4
127.03912	16.3
131.05177	1.0
133.04967	100.0
139.25859	1.1
145.04964	31.5
147.08038	1.8
150.07608	13.9
163.06033	14.0
163.11920	1.3
168.08067	3.1
171.08098	2.6
189.09090	2.4
201.09085	2.6
219.10159	1.7
223.06033	1.7
229.63095	1.0
241.07077	3.6
259.08145	3.0
272.16431	4.6
277.09094	2.8
285.13324	2.8
287.05414	3.1
288.05869	5.0
294.68051	1.3
295.10187	2.6
384.72946	1.2
390.18961	2.3
435.21960	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1271
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73575	0.7
53.03946	1.3
55.01870	0.7
65.42188	0.7
69.03420	0.8
70.06596	1.5
71.48743	0.7
73.02916	0.7
82.43496	0.8
85.02918	1.7
86.09708	0.9
87.00839	1.0
91.05482	2.7
95.04977	18.9
105.01823	0.9
109.02921	0.9
119.04945	2.2
121.06501	1.9
123.04442	99.3
127.03884	0.9
129.06992	0.7
137.05997	15.6
147.04436	1.1
161.06029	1.6
162.05531	1.9
165.05496	25.9
166.05795	0.8
173.05998	1.3
174.09145	0.9
175.07642	1.2
177.05452	0.9
177.07913	1.8
178.08612	1.1
190.08644	8.0
207.04779	1.4
224.07416	73.8
225.07632	1.0
235.04129	0.8
263.06918	0.8
270.07974	100.0
271.08353	2.0
281.07993	0.7
390.14459	1.5
434.13019	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	434.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
63.33013	0.7
69.03442	1.2
69.26405	6.4
81.03418	1.0
85.02913	1.5
87.00848	1.0
91.05490	2.6
92.43559	0.7
95.04971	18.5
97.02864	0.9
98.20800	1.2
105.01882	0.8
119.04957	1.3
121.06493	1.6
123.04434	97.7
124.04802	1.0
137.05981	17.7
161.06049	1.1
162.05562	1.7
165.05489	25.9
173.05942	1.6
175.07703	0.8
177.07867	2.0
178.08626	1.5
190.08635	7.7
207.04800	1.5
215.26869	0.6
224.07405	74.6
225.07750	1.0
229.84279	0.9
253.70819	0.9
270.07950	100.0
271.08322	1.2
347.97638	0.8
390.14694	2.1
434.12894	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	434.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	1.1
55.05320	0.4
55.05516	5.1
56.05033	1.4
57.03199	0.6
57.03444	6.8
57.07069	1.5
57.98779	0.7
58.99298	0.9
58.99586	13.2
61.01146	3.8
62.99068	2.4
67.05507	15.2
69.07056	3.3
69.86069	2.1
71.04980	0.6
71.08635	10.2
76.02231	66.6
76.03995	2.4
77.00619	1.3
79.05480	2.3
81.07052	2.8
83.06110	3.7
83.08611	2.3
84.04507	18.9
85.06554	0.7
86.99055	2.3
87.02679	1.0
88.02206	1.5
89.00621	11.7
91.02157	0.5
93.07063	0.5
93.47471	0.5
97.10180	5.1
97.70725	0.5
99.02666	2.3
99.05600	1.3
99.08099	13.8
103.02193	0.6
104.83236	0.5
107.08600	3.8
109.10161	13.2
114.03745	1.1
116.00895	1.0
116.01682	12.7
123.31807	0.5
126.12782	3.4
127.11201	26.2
129.06619	5.5
130.04993	6.9
138.12752	0.7
141.04849	0.5
141.07344	1.5
142.03226	4.4
144.01155	7.2
145.06067	0.8
153.06525	0.9
157.10452	0.6
159.08398	100.0
160.08704	1.0
162.02216	23.9
167.08975	0.8
170.02676	1.6
179.04861	35.6
184.11548	4.2
184.46272	0.5
185.09947	0.8
187.05269	2.4
190.42975	0.6
202.12605	21.7
215.04924	0.9
233.05902	7.3
245.05934	2.0
245.09842	0.6
273.37552	0.5
280.93982	0.6
285.15884	0.6
287.14249	63.7
288.12476	3.0
305.15308	6.1
308.09131	1.8
359.16339	16.9
371.16092	0.7
416.18158	0.9
417.16891	0.9
434.19476	1.9
453.09207	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3312
Annotation	CHEBI:86434
Peak:m/z	Relative Intensity
53.03946	2.7
54.22580	1.5
55.05516	12.0
57.03431	5.6
57.07074	8.3
67.05504	20.5
69.07069	20.6
70.67067	3.4
70.67403	3.6
71.08617	2.2
79.01263	1.9
79.05503	10.6
81.07062	38.9
83.08611	14.2
85.06548	2.9
91.05464	8.2
93.07050	25.6
95.08610	55.8
97.06522	3.1
97.10163	6.3
99.04478	1.9
105.07032	14.7
107.05016	1.8
107.08593	35.9
109.10161	26.6
111.08074	4.8
111.11706	2.0
113.00021	99.4
119.08575	13.3
121.06505	2.3
121.10144	30.7
123.08070	3.1
123.11710	22.1
128.54756	2.0
131.08554	3.5
131.39662	1.6
133.10182	10.1
135.08051	5.7
135.11697	19.6
137.09587	6.2
137.13274	18.8
145.10112	6.8
147.11642	5.1
149.09615	4.6
149.13264	18.1
151.14838	3.3
157.10088	2.2
159.11714	4.1
161.13245	6.5
163.05449	1.8
163.11246	4.2
163.14815	14.6
165.09085	2.9
169.02614	100.0
173.13213	2.5
175.14847	3.5
177.09062	3.1
177.16393	9.7
189.16434	2.5
191.10652	2.0
191.18004	2.9
205.19563	3.1
207.13803	3.1
219.13519	2.5
219.21092	4.6
233.22641	2.2
235.17032	1.8
241.19356	1.9
247.17046	1.8
253.96144	1.8
261.18369	2.3
273.18427	2.3
291.19342	2.6
309.29648	2.0
377.26700	3.3
387.32370	2.0
397.30975	6.8
415.32108	11.1
433.33255	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	433.3314
Annotation	3beta,5beta-Ketotriol
Peak:m/z	Relative Intensity
53.03939	4.5
55.01865	2.4
55.05518	20.2
57.07092	9.9
67.05510	25.6
69.07072	41.1
69.28599	19.1
71.08644	3.3
72.08128	2.5
77.03965	2.2
79.05494	16.9
80.10623	2.0
81.06597	4.1
81.07060	69.9
83.08620	23.1
87.25538	2.0
91.05478	12.7
93.07055	35.4
95.04955	2.7
95.08612	100.0
97.06561	2.9
97.10134	10.8
105.07023	21.6
107.07877	4.0
107.08597	63.0
109.06509	3.9
109.10155	58.3
111.08129	4.9
111.11757	3.6
113.00023	6.6
115.07512	3.6
117.06906	3.1
119.08591	21.5
121.10149	51.0
123.08045	3.3
123.11722	41.6
125.09574	2.8
131.08568	6.3
133.10130	17.5
135.08040	6.9
135.11699	38.0
136.64381	2.4
137.09633	10.3
137.13260	38.5
141.54045	2.9
143.08488	2.6
145.10112	8.5
147.11665	12.4
149.09607	9.3
149.13271	32.1
151.07465	2.9
151.11227	2.5
151.14786	6.2
157.10130	5.7
159.11700	7.1
161.09599	3.1
161.13264	10.5
163.11156	10.3
163.14827	26.2
165.09105	5.8
165.16357	2.8
169.02620	6.9
171.11667	3.0
173.13232	6.4
175.11234	3.5
175.14803	3.4
177.09102	6.3
177.12729	3.4
177.16397	16.3
179.10661	2.5
181.12279	5.4
189.12639	3.0
189.16513	2.6
191.10701	7.6
191.18005	15.9
193.12181	3.5
203.18001	2.1
205.12221	4.1
205.19557	7.9
207.13786	5.7
209.11792	3.3
219.21117	8.3
227.18030	2.2
231.13715	2.4
233.22481	3.6
235.16890	4.7
245.15494	2.8
261.18420	3.5
264.33142	1.9
278.03677	2.0
323.22293	2.3
325.76855	2.0
341.25302	2.0
349.23703	3.2
363.25467	2.8
373.31058	2.4
377.26736	5.1
379.11774	2.2
391.28461	5.0
397.31143	15.3
415.31897	14.5
433.19763	2.3
433.33203	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	433.2585
Annotation	Triflorestevione
Peak:m/z	Relative Intensity
50.12054	2.0
53.27884	2.1
55.05488	2.5
58.28027	2.0
67.05508	22.6
69.07056	4.7
71.21962	4.0
79.05516	10.9
81.07073	15.1
83.08639	2.9
83.11994	2.5
89.03915	9.4
91.05490	3.1
93.07042	9.6
95.08605	22.7
105.07010	3.5
107.04935	4.0
107.08630	5.2
109.10155	6.3
117.03387	8.9
121.10118	16.4
123.02409	2.1
126.08842	2.1
135.04410	20.9
135.11696	20.4
145.02835	17.2
163.03905	100.0
181.04958	23.3
191.56561	2.1
197.67976	2.0
235.20627	5.3
243.14355	2.2
253.76466	2.8
269.79980	2.2
446.31268	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.6
55.05513	26.6
57.07078	2.0
59.05005	56.5
65.03925	2.8
67.05509	13.5
69.03437	2.7
69.07052	6.8
70.67665	3.5
71.04969	2.9
75.04436	2.7
77.89760	1.9
79.05500	13.0
81.07055	18.1
83.04962	1.8
83.08596	2.2
85.06547	100.0
91.05487	38.1
93.07044	29.2
95.04970	6.5
95.08611	19.2
97.06518	2.3
99.08099	5.5
103.05468	3.5
103.14051	1.9
105.07031	34.3
107.08596	23.0
109.06510	10.8
109.10159	17.3
111.08117	11.1
113.00059	2.1
115.05471	4.1
116.06232	2.6
117.07009	13.2
119.08589	64.3
121.06470	2.6
121.10141	22.4
122.07301	4.3
123.08064	6.9
123.11664	2.3
125.09641	24.0
125.24426	1.7
128.06223	6.0
129.07002	7.8
130.07753	4.1
131.08577	23.0
133.10136	19.4
135.08058	7.5
135.11722	10.6
137.09619	19.8
141.06961	5.2
142.07809	10.2
143.08551	19.5
144.09358	4.6
145.10138	26.3
147.08061	5.3
147.11684	7.7
149.09641	10.9
151.11195	28.6
153.06981	3.7
154.07668	2.0
155.08575	9.1
156.09326	6.5
157.10138	25.3
158.10834	2.8
159.08110	1.9
159.11717	12.5
161.09630	5.2
161.13248	2.9
163.11195	7.4
165.07053	2.2
167.08519	3.5
167.48973	1.8
168.09360	5.3
169.02551	4.4
169.10127	10.2
170.10944	5.4
171.11688	18.6
173.09642	2.9
173.13245	6.5
175.11205	4.1
179.08557	10.3
180.09348	3.1
181.10123	7.0
182.10878	6.0
183.11664	13.3
185.13289	9.8
187.11136	3.7
187.14771	4.4
189.12758	5.6
191.14345	2.2
193.10117	7.9
194.10873	4.5
195.11827	10.3
196.12598	2.3
197.13277	8.8
198.51480	1.8
199.14896	3.6
201.12695	4.0
203.14308	6.2
205.09926	2.6
206.10909	3.9
207.11703	7.2
208.12460	4.3
209.13245	13.8
210.13849	2.8
211.14836	6.0
213.12775	3.5
215.14342	5.6
219.11673	4.3
220.12589	3.1
221.13257	7.4
223.14790	7.9
225.16467	3.4
227.14305	2.4
233.13275	4.2
235.14754	5.4
235.16948	2.6
249.16251	3.2
253.15871	2.1
263.18073	4.1
341.24850	2.0
354.25531	2.3
401.28363	2.6
433.31082	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	433.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05039	14.6
58.06597	7.0
60.80353	1.8
69.03420	1.9
69.07065	2.0
69.23470	2.0
69.76275	2.9
69.76672	8.6
70.06577	1.6
74.06088	100.0
80.92535	1.6
81.03422	3.9
84.04514	48.3
85.02912	4.8
86.09715	75.6
88.91962	1.6
90.05556	5.2
96.04496	2.3
98.21449	1.7
98.98432	4.0
99.04467	2.0
102.05555	29.7
107.04968	2.1
108.05302	1.7
109.02911	3.6
110.06057	3.5
113.07106	3.6
113.15792	2.1
123.04422	2.7
127.03911	7.4
127.08676	1.8
129.06601	8.2
130.04988	1.7
137.05986	3.9
141.06612	5.2
145.09724	1.8
147.04448	3.4
148.00098	1.9
152.10678	6.2
155.08162	2.4
160.07399	1.7
170.11768	7.7
173.09290	12.0
178.05692	1.9
191.10289	69.2
197.07823	1.7
197.12863	20.0
201.08781	2.3
207.08015	2.5
210.72052	1.7
215.11964	3.4
215.13925	47.3
217.01505	1.8
223.96211	3.4
225.12398	9.6
243.13481	15.9
254.09036	2.5
270.08218	5.9
272.09146	4.3
280.16626	2.8
281.10007	4.0
286.17645	2.2
298.17679	2.0
299.11099	4.9
308.15976	2.6
326.17184	17.3
344.18091	2.9
351.20505	8.3
389.07941	4.0
397.21048	16.6
415.21872	5.3
433.16663	6.9
433.22357	2.2
434.15012	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
61.26405	0.1
62.52771	0.2
68.01367	0.2
69.03423	0.7
69.04546	0.9
70.27544	0.1
70.71012	0.4
85.02919	0.2
86.09718	0.2
88.89011	0.1
94.04041	0.5
95.01841	0.2
95.02456	3.4
97.02898	7.8
98.21568	0.2
99.48497	0.2
105.07037	0.3
106.05780	0.2
112.05092	100.0
113.04750	0.3
113.05424	0.4
120.01942	0.2
121.59385	0.1
129.46443	0.1
187.86601	0.2
244.09300	0.2
256.01151	0.1
283.05963	0.3
287.05499	0.9
299.05649	0.2
313.06943	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.7
55.01860	9.8
55.05511	17.9
57.03449	4.8
57.07061	6.1
59.04992	3.7
61.02893	5.3
62.35568	2.6
65.03954	3.0
67.05511	27.9
68.93150	3.4
68.99776	13.0
69.03081	4.4
69.03432	46.7
69.07072	21.9
69.60582	11.1
69.60995	6.2
69.76135	2.9
71.01363	2.9
71.05001	22.8
73.02914	3.4
75.03937	3.5
79.05496	26.5
81.03426	31.4
81.07053	46.8
83.04961	11.7
83.08601	9.1
83.77528	2.7
85.02908	35.1
85.06538	5.0
87.00824	19.9
87.04440	4.8
90.57707	2.7
91.05477	35.2
93.07045	35.8
94.06591	3.4
95.04982	16.5
95.07999	2.8
95.08609	47.1
97.02900	25.8
97.06512	9.7
97.10161	3.0
99.04454	7.6
101.02414	3.2
103.03910	4.4
103.05441	3.9
104.56618	2.8
105.01884	4.6
105.07032	55.4
107.04944	13.9
107.08602	36.5
109.02890	8.1
109.06503	10.8
109.10157	30.1
111.04438	6.6
111.08115	3.0
111.11792	2.6
113.02364	2.8
115.03928	10.6
115.05487	4.3
117.07018	19.1
119.04935	3.4
119.08591	55.5
121.06502	9.3
121.10146	30.8
123.04404	11.8
123.08054	10.9
123.11707	18.5
125.09644	4.6
127.03915	10.3
127.11188	3.6
128.06189	13.2
129.01848	8.0
129.07019	20.6
130.07784	4.5
131.08575	36.9
133.06453	7.7
133.10124	48.3
135.08090	14.3
135.11734	16.1
137.05949	6.6
137.09616	7.6
139.07549	3.6
139.11209	4.0
141.06949	12.0
142.07797	25.2
143.08572	42.9
144.09358	8.1
145.06519	10.1
145.09064	5.2
145.10133	61.2
146.07289	3.5
147.08064	14.1
147.11684	22.7
149.09624	7.9
149.13255	4.6
151.07570	4.5
153.07025	4.7
154.07811	6.6
155.08569	23.9
156.09354	17.5
157.06480	4.1
157.10117	53.1
158.07294	3.7
158.10902	7.7
159.02786	4.0
159.08109	16.8
159.11699	54.3
161.06000	3.3
161.09671	13.7
161.13274	12.1
163.03914	3.9
163.07567	5.7
165.06940	6.8
165.09134	4.8
167.08455	15.1
168.09352	6.1
169.10149	27.7
170.10959	6.8
171.08066	15.6
171.11705	43.5
172.08838	4.2
173.09654	14.5
173.13248	31.7
175.07535	3.5
175.11232	12.8
175.14847	7.5
177.09091	4.4
177.12717	4.5
179.08556	11.3
180.09218	4.6
181.10107	18.6
182.10867	8.2
183.08037	7.9
183.11691	30.0
184.12440	4.6
185.09653	13.6
185.13234	19.4
187.07480	6.3
187.11189	14.9
187.14851	14.7
189.09058	13.7
189.12724	7.7
189.16418	11.7
191.10583	3.2
191.14285	3.9
192.09375	7.8
193.10150	8.1
194.10976	3.2
195.11653	17.5
196.12311	3.6
197.09656	5.8
197.13242	23.9
198.13945	3.3
199.11137	13.2
199.14781	13.9
201.09175	3.3
201.12735	15.8
201.16394	40.4
203.14279	4.7
203.17972	6.4
206.10933	3.6
207.11700	13.6
209.09760	3.3
209.13252	10.8
210.10294	4.6
211.11194	4.3
211.14812	9.5
213.12827	15.8
213.16341	24.7
215.10767	5.0
215.14339	11.4
215.17926	22.1
217.15948	4.4
218.21855	2.9
221.13274	4.8
223.11192	3.6
223.14853	11.6
225.12727	37.4
225.16232	16.5
227.14316	8.7
227.17982	17.4
231.17487	11.2
233.13359	4.5
237.12779	3.7
237.16386	5.7
239.14290	7.9
241.15828	18.6
243.13795	17.0
243.17506	25.8
251.14412	6.8
253.15834	3.4
255.13765	4.2
255.17467	6.9
257.18976	16.1
259.13248	4.1
259.16830	6.9
261.18503	4.6
265.19589	7.1
267.17557	3.5
269.15891	3.6
269.18848	6.5
271.16830	3.6
273.18591	3.5
275.17831	4.9
283.20563	9.3
287.20178	4.5
293.19019	15.6
301.21851	3.6
303.15909	3.5
311.20056	75.3
312.20404	3.6
328.63290	3.0
329.21118	51.2
337.12445	4.1
347.14789	8.0
347.22134	10.5
389.23221	7.2
397.19922	4.5
415.21124	32.4
433.22192	100.0
434.22403	4.7
455.47125	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	433.1133
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
55.01854	0.8
55.05492	1.1
55.88650	0.8
57.03425	2.7
67.05497	3.2
68.99792	1.6
69.03414	1.1
69.07059	1.0
70.14876	1.3
70.15287	2.4
71.04995	12.6
76.02242	2.1
79.05472	1.5
81.03419	1.6
81.07056	3.0
83.05032	1.1
85.02909	11.1
87.91358	0.7
91.05476	1.5
93.07032	1.5
95.08602	2.9
97.06517	1.9
103.05503	0.8
105.07053	1.3
107.04938	1.3
107.08601	2.0
109.02894	1.3
109.10152	1.7
111.00842	1.2
119.08527	0.8
121.02923	3.6
121.10130	1.1
127.03948	2.7
129.05478	2.6
135.11694	0.8
137.02301	1.1
143.70670	0.8
147.04457	0.9
149.13300	1.0
153.01840	4.6
159.08385	3.0
165.01836	1.8
171.11758	0.9
213.05576	1.7
215.17929	1.0
233.19080	1.2
241.04964	1.2
251.53378	0.8
258.05438	1.4
259.06140	0.9
287.05518	100.0
287.14191	2.4
288.05780	1.9
299.05518	1.4
325.23657	1.7
329.06583	1.0
345.77661	0.8
366.37613	0.8
389.21487	2.2
397.09122	2.3
433.11179	0.9
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	2-(3,4,5-Trimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
64.90743	0.3
67.05469	0.5
69.07027	0.3
69.43395	0.7
69.43800	1.7
78.95683	0.3
79.05447	1.1
81.03424	0.4
81.07003	0.4
82.18961	0.3
86.23978	0.3
88.07807	0.3
89.91760	0.3
91.05460	0.6
95.08545	0.3
99.04433	0.4
105.07044	0.4
109.10139	0.4
121.52853	0.3
122.03658	0.3
127.03878	0.6
129.18831	0.3
135.04422	0.7
135.69716	0.3
137.05980	0.5
138.36015	0.3
144.12206	0.3
149.02376	0.3
149.05948	0.3
151.07518	0.8
163.03842	0.9
163.07504	0.4
165.05482	6.6
175.07494	0.5
177.05428	0.4
178.06190	1.3
183.02853	3.4
187.07600	0.3
189.05467	0.5
191.07065	0.6
205.08607	0.8
211.02382	2.0
212.53969	0.3
215.06952	0.5
225.05484	0.3
227.06918	0.5
231.06482	0.4
233.07956	0.7
243.06490	0.7
245.08011	0.4
255.06459	0.5
257.04483	0.4
258.08963	0.4
261.07495	0.7
271.06012	1.9
273.07483	0.7
283.06036	0.9
285.07501	0.5
286.04782	0.4
286.08472	0.4
289.07056	3.2
297.03867	0.4
297.07471	0.4
299.05609	2.6
299.08786	0.6
301.07156	0.5
302.04288	0.7
303.08401	0.4
309.07733	0.3
311.05475	2.4
311.08743	0.5
313.03387	0.6
313.06985	0.8
314.04337	0.7
314.07797	1.5
315.04929	0.7
315.08530	0.4
317.06586	4.2
325.07065	0.7
325.10574	0.4
327.04935	2.8
327.08408	0.5
329.06564	2.1
329.10287	1.0
330.03537	0.9
331.08139	1.6
332.08994	0.4
339.05038	2.8
339.08664	0.6
341.02905	0.9
341.06595	1.4
342.07455	2.6
343.08093	0.9
345.06061	8.9
347.11127	0.5
353.06442	0.6
354.07397	0.9
355.04471	1.4
357.06186	2.2
357.09851	3.1
358.06815	0.7
359.07547	2.0
360.08423	3.2
369.06039	1.2
370.06750	1.3
371.07605	1.3
371.11679	0.4
373.05515	5.4
373.09662	0.6
375.10861	2.5
383.07513	0.3
385.04428	0.5
385.09204	8.1
386.09686	0.4
387.06998	4.5
387.11005	0.4
388.07880	5.2
399.10968	1.8
400.11487	1.0
403.10248	75.5
404.10638	2.2
417.11813	3.6
418.12570	10.6
433.14957	100.0
434.15274	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	433.1131
Annotation	Genistein 8-C-glucoside
Peak:m/z	Relative Intensity
53.68573	1.1
54.22012	1.1
55.01866	1.0
59.84890	1.0
62.37340	1.2
68.99785	1.3
69.03449	1.4
70.63726	1.3
70.64059	2.3
81.03410	1.8
81.53793	1.1
85.02901	3.7
88.38419	1.2
91.05477	1.3
92.70795	1.1
95.02425	3.7
97.02901	8.0
112.05095	100.0
119.04946	4.1
121.02882	11.5
123.00766	1.4
127.03989	1.6
130.69330	1.2
145.02875	3.5
149.02350	2.3
163.03894	5.4
165.01834	17.0
167.03400	2.1
177.01852	1.7
183.02841	2.7
185.10074	1.1
185.11716	2.0
187.03880	1.7
191.03296	1.3
205.05067	1.4
213.05539	2.2
215.03423	1.3
215.07080	1.9
229.04913	1.6
255.06523	2.1
256.07324	4.2
261.03882	1.6
267.06424	5.9
270.05222	3.6
271.06119	7.8
279.06436	2.0
281.08215	5.8
283.06009	98.9
284.06784	20.7
285.07617	1.2
287.05527	9.5
292.66525	1.3
295.06119	13.6
295.09421	2.6
297.04208	1.8
297.07559	10.6
305.08109	2.1
307.06036	2.8
308.06772	1.9
309.04123	2.6
309.07532	17.8
313.07062	83.0
314.07440	1.5
321.07526	2.6
323.09140	20.3
325.07172	2.5
333.07523	4.0
337.07047	38.5
343.08173	2.6
349.07132	8.3
351.08704	3.5
361.07077	6.3
367.08154	21.9
379.08109	20.1
397.09219	26.3
415.10220	22.3
433.11301	25.9
448.49896	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	28.5
57.07069	11.0
63.27428	6.7
67.05515	22.7
69.07073	21.3
69.49696	48.3
77.28628	7.7
79.05495	21.8
81.07063	55.9
83.04980	10.5
83.08626	20.8
87.29722	7.5
90.55924	8.2
91.05493	13.0
93.07037	38.1
95.04980	8.2
95.08607	100.0
97.10192	8.5
97.59446	9.4
99.08117	10.0
105.07027	27.2
107.08593	54.2
109.10166	96.4
113.71506	7.3
119.08560	16.5
120.21146	8.2
121.06511	32.4
121.10155	46.5
123.11691	52.0
133.10126	22.9
135.11708	46.8
137.13263	34.6
143.32042	7.6
145.10129	10.8
147.11658	27.6
149.13281	46.7
151.14760	9.6
161.13219	11.4
163.14818	24.5
169.02672	8.7
177.16318	19.1
189.16425	7.8
191.17931	17.6
203.17993	10.8
205.19511	58.0
271.24109	9.9
287.27536	10.2
327.30478	38.8
345.31635	55.2
381.32813	8.3
395.32809	9.4
420.12994	7.4
431.37308	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	432.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41677	1.1
54.70499	1.2
55.01873	2.4
71.27654	2.0
71.27995	1.4
84.08100	1.2
91.05501	1.3
95.04942	2.2
103.05472	1.4
107.04963	30.0
114.33543	1.2
115.05397	1.6
117.03348	1.8
118.06559	3.3
121.02872	2.0
122.06009	1.2
123.04451	1.9
131.04932	10.4
137.05922	2.4
145.02852	4.0
145.05281	1.4
146.06012	8.6
147.04414	12.5
149.05902	1.3
159.04413	2.7
160.05228	5.5
161.05884	2.1
162.05449	1.6
163.06300	10.2
164.07085	23.5
165.07062	1.6
167.08603	2.0
175.03886	7.2
177.05513	7.9
178.07759	3.8
179.08549	11.0
181.06418	2.2
183.08047	6.2
187.03860	1.4
189.06985	10.2
195.08054	8.0
197.05980	1.9
197.09518	1.5
205.06558	2.3
206.09599	1.7
207.08054	40.3
210.06924	1.3
210.09079	2.1
216.07953	1.3
217.06511	4.6
217.08595	1.1
218.07404	2.8
221.05946	2.6
223.07471	11.4
225.09122	3.6
232.05508	1.5
234.06932	2.0
234.09134	13.4
235.07535	36.6
236.08115	2.1
240.07747	2.9
241.08627	5.3
251.06985	4.5
252.07726	1.8
253.08618	56.1
262.08627	15.7
263.07022	29.9
263.09625	2.2
264.07770	2.1
269.08087	60.4
270.08545	2.0
270.11237	13.2
278.08163	5.5
280.09683	100.0
281.08115	4.5
282.04706	1.4
298.10745	73.1
299.09061	5.9
322.41040	1.2
328.05249	2.9
356.04642	1.3
369.09875	1.2
388.07312	2.7
432.12900	22.1
433.13104	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3158
Annotation	Homaxisterol C1
Peak:m/z	Relative Intensity
53.06097	3.9
55.05507	7.9
57.07073	5.1
67.05505	23.4
69.07070	20.0
71.49347	4.1
71.72880	3.6
79.05498	11.7
81.07069	36.4
83.08608	12.0
83.29855	4.1
90.24261	4.3
91.05486	20.5
93.07050	23.2
95.08618	52.6
101.02390	3.9
105.07039	22.1
107.08602	36.7
109.10169	42.9
109.10870	5.7
109.69707	5.0
111.11697	4.7
113.00015	36.7
117.06979	5.4
118.87117	4.0
119.08598	26.4
121.10172	25.9
123.04498	4.2
123.11703	16.0
129.07050	5.6
131.08551	12.1
133.10127	23.9
134.75597	4.7
135.11682	25.4
137.13243	15.7
143.08499	6.6
145.10150	24.3
147.11691	13.0
149.13283	12.7
157.10170	12.4
159.11714	20.6
161.13271	9.4
163.14818	11.7
169.02620	31.8
169.10127	4.6
171.11688	5.4
173.13275	11.7
175.14896	7.9
177.16422	6.7
183.11728	6.1
185.09442	3.9
187.14886	8.7
189.16342	13.8
191.17932	26.7
197.13245	5.9
201.16379	7.9
203.10597	6.0
203.18016	8.8
205.12094	5.0
211.14902	7.3
217.19490	9.8
243.21077	6.9
271.17310	4.4
297.25751	14.2
367.30066	15.4
395.29507	40.8
407.73929	4.6
413.30472	100.0
431.18781	4.8
431.31778	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	431.3159
Annotation	Homaxisterol C1
Peak:m/z	Relative Intensity
53.03929	2.5
55.05510	5.9
57.07074	5.3
64.12902	2.5
67.05492	12.6
69.07087	16.7
69.48255	2.8
72.80737	2.8
79.05482	10.3
81.07062	29.6
83.08627	11.8
91.05485	10.9
93.07056	18.9
95.08618	41.9
97.10180	4.8
105.07040	19.2
107.08611	22.5
109.10165	22.8
111.11705	3.5
112.76414	2.7
113.00018	10.2
117.07020	6.8
119.08562	17.9
121.06479	3.5
121.10154	21.6
123.11723	14.5
129.06998	4.6
131.08562	12.1
133.10135	20.2
135.11717	18.6
137.13255	12.1
141.64980	3.0
143.08578	8.2
145.10130	21.8
147.11737	13.6
149.13249	8.9
151.14819	3.4
155.08659	3.0
157.10110	9.6
159.11681	21.0
161.13269	10.6
163.14877	7.9
169.02667	7.3
171.11687	6.1
173.13286	15.6
175.14836	11.0
177.09096	3.5
177.12593	3.4
177.16425	6.3
183.11777	4.2
185.13350	5.0
187.14830	4.7
189.16425	9.1
191.10760	4.4
191.17989	17.9
197.13211	5.1
201.16357	8.8
203.10666	5.1
203.17957	9.6
211.14848	4.2
215.17973	3.1
217.19498	8.4
221.11731	4.3
243.21158	6.4
257.15390	4.2
262.97931	2.8
275.16422	4.7
297.25903	17.9
321.30484	2.9
349.28806	3.4
367.30145	7.7
385.88318	3.8
395.29529	43.1
413.30539	100.0
427.00589	3.1
431.31726	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67732	1.1
55.01861	1.4
56.05022	3.2
58.06588	1.3
60.05659	5.7
68.99778	4.6
69.07067	8.2
70.06595	27.5
71.39902	2.5
72.08143	2.3
73.04760	2.0
74.06080	17.5
81.03391	1.2
86.09710	97.8
91.05847	1.6
98.98486	2.5
112.08738	4.8
115.08714	4.2
116.07096	12.2
119.05030	1.3
121.02843	1.5
121.45786	1.0
126.05563	1.7
129.07025	1.7
130.09772	4.1
131.96207	1.3
137.05971	4.9
141.07030	3.6
142.58261	1.4
145.02843	1.5
147.04323	1.3
149.02351	4.8
150.03131	3.6
151.03819	1.2
156.11330	8.2
158.09251	10.1
163.03951	3.2
169.06480	3.9
173.02158	1.6
175.11916	21.2
177.01801	6.7
179.03415	3.0
181.06517	4.1
185.05968	2.4
187.14426	2.3
189.10265	2.1
191.03386	1.7
197.05984	9.4
207.19803	1.3
211.03957	3.4
211.14418	2.5
213.05469	7.0
215.03421	1.5
217.01253	1.7
219.02858	1.6
225.05525	8.3
229.04930	2.6
235.03935	3.3
237.05467	2.8
239.03406	3.8
239.13892	3.8
241.04953	7.7
243.06537	2.3
253.04976	18.0
254.05511	1.6
255.06459	2.4
257.04398	2.3
263.03702	5.5
265.04953	5.8
267.02878	1.8
269.14944	1.5
271.05988	2.3
271.17624	7.2
281.04456	25.3
282.04871	2.0
285.03931	4.6
291.02899	8.1
297.37869	1.2
299.05612	1.6
301.03369	2.9
309.03958	23.6
309.09454	2.0
310.04211	2.1
313.03232	2.4
319.02338	1.8
323.16180	2.6
327.04993	24.4
328.05515	1.4
337.03384	12.0
345.05914	2.3
355.04456	20.7
355.08862	1.9
356.04865	1.7
361.02414	1.5
369.06146	4.3
381.02515	2.1
387.07092	55.7
387.12619	11.1
387.23471	2.1
388.07379	4.5
399.03867	2.6
413.05167	1.4
413.25067	3.3
431.06339	7.0
431.20767	4.4
431.26126	100.0
432.26361	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
55.01867	0.5
55.05512	2.2
57.03436	4.6
57.07064	1.4
65.04652	0.5
67.05508	10.1
69.07070	3.2
69.46409	3.0
74.90387	0.4
79.05505	4.3
81.03428	1.1
81.07058	12.3
83.05013	0.6
83.08626	2.2
91.05482	4.2
93.07032	3.9
95.04967	1.4
95.08609	10.4
97.06522	1.4
97.10178	1.0
98.98479	1.0
102.40112	0.4
105.07024	3.5
107.08608	3.7
109.10167	5.8
111.08073	0.7
113.00020	100.0
117.39072	0.5
119.08574	2.2
121.10133	2.7
123.11735	2.6
131.08562	0.6
133.10139	2.2
135.11705	1.5
137.13242	1.6
139.01534	0.7
145.10136	0.5
147.11681	2.0
149.13260	1.8
151.14865	0.7
161.13266	1.6
163.14851	1.2
169.02614	84.1
175.14758	0.9
189.16290	0.8
191.17975	0.5
193.12183	1.6
201.16447	0.4
231.17610	0.5
245.22693	3.1
263.23737	6.5
395.29477	1.1
413.30396	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	431.2432
Annotation	CJ 15544
Peak:m/z	Relative Intensity
51.29103	2.1
52.81617	2.4
53.03945	10.3
55.01872	8.9
55.05515	25.9
57.03432	12.1
57.07105	2.6
59.04983	3.3
61.02934	2.8
64.51190	2.8
65.03957	4.8
66.38631	2.4
67.05508	51.4
69.03441	9.0
69.07072	89.4
69.43554	19.1
70.27306	2.3
71.04999	8.4
73.06561	7.7
74.20735	2.5
77.03921	2.8
79.05499	87.8
81.03428	22.3
81.07054	60.5
82.37935	2.5
83.05009	7.8
83.08616	18.8
85.02925	7.0
85.06544	4.0
87.00819	2.8
91.05487	78.8
93.07043	35.5
94.59714	2.8
95.04967	18.4
95.08618	28.1
97.02878	5.0
97.06532	32.0
97.07097	3.7
97.10199	5.6
103.05470	30.6
104.51237	2.4
105.03432	3.5
105.07038	56.4
105.07700	4.3
106.39796	2.3
106.92978	2.5
107.04963	10.9
107.08585	27.7
109.06551	9.4
109.10130	12.2
115.05453	21.0
115.07584	5.1
115.37122	2.3
116.06261	4.6
117.07024	85.7
119.04971	5.1
119.08583	37.3
121.06525	8.0
121.10137	17.7
123.08104	7.7
123.11757	2.9
125.06023	24.7
125.09667	6.9
127.03877	2.8
128.06207	16.7
129.03429	3.0
129.07011	66.3
129.07918	4.8
130.07780	3.0
131.04938	13.3
131.08580	63.2
133.06488	14.1
133.10168	13.1
135.04469	4.0
135.08041	12.8
135.11684	5.2
137.09676	6.6
139.11049	2.9
141.06996	34.1
142.07814	11.3
143.05063	3.0
143.07091	43.1
143.08606	34.1
145.06509	36.6
145.10146	30.3
147.08083	9.8
147.11743	9.2
149.09657	11.2
151.07594	3.3
152.06198	2.7
153.07034	9.9
153.09113	4.5
154.07867	8.2
155.06061	2.7
155.08563	32.1
156.09387	8.7
157.06500	19.1
157.10152	27.9
159.08044	13.1
159.11681	14.5
161.06111	4.3
161.08095	8.1
161.09657	5.7
163.03885	3.3
163.11243	4.5
165.07042	8.0
165.09193	2.9
166.07855	6.3
167.08565	24.4
168.09373	9.2
169.10130	35.6
171.08105	9.2
171.11679	26.7
173.09689	7.8
173.13351	7.6
175.11267	6.0
179.08644	7.1
180.09338	3.9
181.10152	25.6
182.11023	3.3
183.08165	8.9
183.11693	31.0
183.13005	2.7
185.09700	10.6
185.13252	20.8
187.11256	9.7
187.14816	14.8
191.08620	4.6
192.09470	3.2
193.10199	8.4
195.08092	3.4
195.11710	26.2
197.09683	7.3
197.13260	30.2
199.09732	35.5
199.11319	9.1
199.14893	6.9
201.12819	3.6
203.10765	3.1
205.10165	7.2
205.12129	4.9
207.11766	5.6
209.09712	2.6
209.13368	10.1
210.10645	2.4
211.11206	7.5
211.14777	4.5
213.09280	3.9
213.12749	22.7
213.16408	4.7
215.14316	66.5
215.16273	3.8
217.10757	5.3
219.11833	3.2
221.13373	3.6
223.11212	17.0
223.14886	4.5
225.12828	9.5
227.10832	3.0
229.15939	3.0
231.14009	7.2
237.12898	5.7
239.14391	5.7
241.12253	23.4
241.16025	4.5
259.13300	23.9
271.17050	6.4
287.16406	3.2
289.18073	3.3
293.19165	10.1
303.17624	4.1
309.18610	9.9
311.20026	20.0
313.21783	9.3
315.15878	41.8
315.19247	2.9
321.18549	18.7
327.19690	18.0
329.21326	3.4
333.17041	7.5
339.19525	29.0
339.23090	3.6
345.20926	2.5
357.20474	14.0
375.21686	4.8
385.24030	5.6
395.22589	9.1
413.23288	100.0
413.28622	5.7
414.23920	3.1
431.24567	89.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59789	1.0
55.01861	4.7
59.05008	1.3
68.99786	4.6
69.22543	10.0
70.06600	1.2
71.36158	1.0
71.93965	1.0
72.08155	3.8
81.03411	3.4
82.19894	1.0
83.01321	1.0
85.02901	1.8
86.09705	2.9
95.01292	1.1
97.02838	1.3
97.06532	1.1
98.21577	2.4
109.02909	1.8
111.04449	1.8
115.05452	1.8
117.07018	1.4
119.04916	1.3
121.02850	4.3
123.04433	2.2
127.03982	1.3
129.07001	1.3
133.02879	1.9
137.05917	1.1
141.06982	5.6
145.06474	1.6
147.04428	2.1
149.02376	9.6
150.03151	5.7
152.06242	2.2
153.07056	1.9
155.04967	1.3
157.06485	2.1
161.02345	2.5
163.03949	2.2
169.06491	8.6
171.04344	1.2
173.02408	1.4
173.05919	1.7
177.01837	10.8
177.05498	1.2
179.03435	6.0
179.04750	1.7
180.78990	1.1
181.06506	5.1
183.04463	2.7
185.06010	5.5
187.03859	1.4
189.01837	2.0
191.03378	2.9
195.04419	1.5
195.59825	1.2
197.06018	14.5
201.05475	1.9
207.04361	3.2
209.05975	3.3
211.03908	5.8
213.05501	12.6
215.03313	3.6
216.04366	1.3
217.01363	2.8
219.02887	2.2
225.05486	18.3
226.05890	1.2
227.03413	1.9
227.07051	2.8
229.04951	4.5
231.03120	1.2
235.04015	6.9
237.05496	9.8
239.03419	5.6
239.07010	2.1
240.04117	1.4
241.05017	12.9
243.02940	2.8
243.06520	4.5
245.04420	1.3
253.04982	33.3
255.06483	4.0
257.04443	7.7
263.03720	9.1
265.05017	8.4
267.02908	3.9
269.04419	3.0
271.05951	3.4
281.04474	42.4
282.04996	1.8
283.06039	3.0
285.03986	5.0
291.02917	15.4
293.04465	1.5
295.02441	2.5
299.05417	4.4
300.02780	1.6
301.03369	8.5
307.02441	1.4
309.03934	44.2
310.04675	1.4
311.05560	5.6
313.03400	3.9
319.02499	2.0
327.05005	46.1
328.05374	1.4
336.99716	2.0
337.03476	23.7
340.73999	1.1
341.06693	2.0
345.06024	3.3
353.02841	1.6
355.04507	37.9
363.01492	2.0
367.04459	2.3
369.06122	6.9
381.02386	4.5
381.86783	1.3
387.07150	100.0
388.07507	2.4
399.03564	6.0
413.04919	3.2
431.06049	14.7
431.19699	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.9
57.06842	0.4
57.07080	4.6
58.07403	1.0
58.93284	0.5
62.95564	0.5
63.00881	0.4
67.05510	3.9
69.07075	2.2
70.67495	0.5
70.67847	1.3
71.08627	3.1
72.08956	0.5
73.60473	0.4
79.05489	0.8
81.07041	3.0
81.61900	0.4
82.07378	0.8
83.04977	0.5
83.08608	1.1
85.10172	1.7
91.05466	0.7
91.37348	0.4
92.61187	0.5
93.07067	2.0
93.07594	0.4
94.07352	0.5
95.08603	3.3
96.08944	1.2
97.10160	0.6
99.56763	0.4
105.07038	1.3
107.08598	2.1
109.10165	6.0
110.10458	1.0
113.96352	0.4
117.07047	0.7
119.08602	3.6
120.08911	0.9
121.06507	9.1
121.10130	1.4
122.07266	1.6
122.10501	0.6
123.08101	0.6
123.11683	0.8
131.08546	0.9
133.10085	0.4
135.08096	2.1
135.08968	0.5
135.11694	0.6
136.08852	12.2
136.12021	0.8
137.09628	12.5
137.13206	0.5
138.09990	1.6
149.09628	4.6
149.13264	0.6
150.09964	1.3
151.07574	0.6
152.08282	0.9
159.08084	0.5
159.11682	1.2
160.11990	0.7
161.09660	0.5
163.11180	5.3
164.08345	26.0
164.11389	2.7
165.09120	100.0
166.09462	12.3
172.08841	0.6
175.11163	1.0
176.11572	0.6
177.09113	3.0
177.12651	0.5
178.09521	1.9
179.10716	0.5
183.13957	0.4
187.11194	1.3
190.09834	0.9
191.10686	2.5
192.10957	1.2
201.12762	0.7
202.13313	0.5
205.12260	8.2
206.12578	1.8
214.25754	0.5
219.13779	1.1
220.14223	0.8
229.06607	0.5
270.10141	0.5
402.34357	1.0
430.38007	70.5
431.38483	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.265
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	6.9
59.05005	100.0
69.03426	3.1
69.07089	2.0
70.06602	1.8
70.93180	1.8
70.93510	2.5
72.08173	1.9
79.05516	1.5
81.03405	2.2
85.02905	6.7
86.09737	4.0
91.05476	3.4
93.07050	2.2
95.05001	1.5
97.02906	2.9
97.06525	4.1
102.54867	1.5
105.07037	1.8
115.66795	1.4
117.09149	28.9
119.04958	1.4
123.04448	4.7
133.06483	1.9
135.04359	2.1
135.10211	3.0
137.06001	5.7
147.04440	3.6
162.05431	1.4
162.18402	1.2
163.03909	3.0
163.11256	2.5
164.11618	1.9
175.13339	7.5
178.09883	1.3
187.07556	2.4
189.09129	2.8
193.14520	1.8
218.16057	1.3
233.11769	2.1
247.07074	1.6
251.18559	56.0
252.18976	1.5
257.08090	3.1
259.09747	1.5
274.80145	1.5
275.06647	3.6
394.18784	3.5
412.19864	2.7
413.15927	2.1
430.19070	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	430.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.6
53.12283	1.5
55.01868	2.8
60.04520	3.4
67.09393	1.5
68.99786	2.4
69.03430	8.2
71.48447	2.5
73.02938	1.6
73.04768	3.0
81.03434	12.1
84.04494	1.7
85.02905	14.4
87.00834	7.7
91.05441	13.4
91.99812	1.6
95.04966	1.6
95.38349	1.4
97.02905	7.1
98.97625	1.8
98.98444	1.9
99.04465	3.1
103.05470	1.8
105.01840	2.1
107.04945	4.2
109.02869	10.0
117.01892	1.6
119.04946	38.3
121.06475	1.6
123.04430	6.1
126.05505	1.7
127.03928	10.9
129.01717	1.4
136.07582	79.5
145.04965	3.0
147.04420	4.3
154.23213	1.6
159.02858	5.0
164.06972	2.5
165.05519	7.5
177.01826	2.4
182.08136	100.0
206.11794	2.0
224.09163	5.8
231.04967	1.5
239.06934	2.1
241.04836	1.7
245.00789	1.7
253.05002	3.8
268.09665	1.5
281.04462	4.7
285.03879	2.2
290.08041	1.6
291.02951	2.3
309.03891	6.3
327.05011	4.4
337.03455	2.3
355.04547	4.7
356.92215	1.5
372.37500	1.5
381.02432	1.9
386.12308	8.3
387.07144	11.5
394.10892	2.5
412.12299	3.0
430.13165	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	1.2
55.05505	4.7
57.07074	6.1
67.05509	16.3
69.03426	2.9
69.07073	18.4
71.08630	2.0
71.49295	1.3
73.04754	3.8
79.05486	6.3
81.06593	2.4
81.07062	41.8
83.08631	6.9
85.06538	3.7
91.05434	2.4
91.05867	1.7
93.07062	12.0
95.04948	1.8
95.08612	85.7
97.06542	2.9
97.10191	2.4
99.08111	1.5
105.07047	6.9
107.08594	19.7
108.94038	1.2
109.06517	3.9
109.10167	29.7
110.10487	1.2
111.11749	3.3
111.54814	1.1
119.08593	9.4
121.10147	17.1
123.08108	2.4
123.11725	14.4
125.09671	1.9
125.13240	1.5
131.08598	3.2
133.10158	6.8
135.08139	1.2
135.11685	10.6
137.09641	2.2
137.13252	10.7
139.11195	1.3
145.10152	4.4
147.11714	4.5
149.04556	1.4
149.09627	1.6
149.13293	9.3
151.11217	1.3
151.14818	11.8
152.32045	1.1
153.12741	1.2
159.11708	1.6
161.13257	4.6
163.14832	8.5
165.09230	1.4
167.05667	1.3
167.14378	4.5
175.14896	3.4
177.12831	1.4
177.16411	5.6
179.14267	1.2
181.15906	3.6
189.12880	1.4
189.16470	3.2
191.17987	12.1
193.15808	1.6
197.15428	2.3
203.17888	1.3
205.15918	1.5
205.19559	3.3
207.17435	2.5
215.17949	1.4
217.19572	4.0
221.19035	16.3
222.19362	1.6
226.91319	1.1
229.19577	1.3
233.22701	2.8
247.20633	5.0
261.22131	2.3
269.22894	1.3
289.25333	2.7
294.51126	1.1
357.31546	100.0
358.32059	2.8
359.02808	3.8
371.33258	1.9
411.32074	1.4
411.36594	1.9
429.37378	90.5
430.37759	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	429.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01224	2.3
52.55222	2.3
53.03942	2.8
55.05519	16.3
57.07083	11.4
65.03945	3.5
67.05508	33.1
69.03425	4.5
69.07072	43.5
69.30121	22.1
71.04986	4.6
71.08610	4.6
73.04745	4.2
79.05490	20.4
81.06597	5.3
81.07059	91.7
83.08624	17.2
85.06483	3.0
91.05438	23.4
93.07053	43.9
95.04942	5.2
95.08614	100.0
96.08951	4.8
97.06524	10.2
97.10155	10.4
98.21584	4.5
99.04386	3.1
99.08092	4.5
100.11583	2.5
104.83662	2.4
105.07027	40.5
107.08602	69.3
109.06526	3.9
109.10163	65.9
111.08066	5.8
111.11727	3.4
113.09688	3.6
117.06979	4.0
119.08583	55.7
121.06482	4.0
121.10149	64.0
123.08044	3.3
123.11714	60.2
125.05996	17.6
125.09567	5.5
125.13306	2.6
131.08566	11.0
133.10133	63.8
135.08080	3.8
135.11700	50.7
137.09598	2.8
137.13260	44.7
139.11179	10.5
143.08560	4.9
145.10103	20.0
147.08018	4.2
147.10663	3.9
147.11699	42.4
149.09601	2.7
149.13277	33.6
151.14803	3.2
157.10170	5.7
159.11693	22.1
161.13271	25.9
163.11168	3.1
163.14835	60.9
165.09186	3.8
165.16455	2.7
167.07034	3.1
167.14352	2.8
171.11674	9.3
173.13243	14.7
175.14828	49.5
177.16393	14.8
179.17906	3.0
179.66467	2.6
181.15860	4.2
183.11647	2.7
185.13261	5.7
187.14790	13.5
189.16342	21.3
191.17976	26.4
195.17471	5.3
199.14848	6.6
201.16461	12.4
203.18002	12.2
205.12378	3.4
205.19518	11.0
211.14873	4.4
213.16370	6.1
215.17960	7.6
217.19519	8.9
221.15437	2.9
227.17953	2.4
229.19557	5.0
231.21117	11.3
233.19017	3.4
235.20763	2.5
243.21114	5.8
249.22189	4.1
255.21144	16.7
257.22662	8.6
259.20590	7.9
269.22659	14.7
271.24210	61.2
273.22009	3.4
273.25671	4.4
287.23624	2.9
289.25259	31.0
317.55399	2.3
359.02780	4.9
371.29819	2.8
393.35208	55.8
411.31528	5.2
411.36633	31.9
429.33035	10.4
429.37704	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	429.373
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89414	0.7
55.05511	4.8
57.07081	2.3
60.61444	0.7
67.05507	6.6
69.03436	1.0
69.07075	11.3
69.41051	5.7
71.04977	2.0
79.05494	5.3
81.03427	1.8
81.07055	18.4
81.13729	0.9
83.04976	0.9
83.08627	6.9
83.93947	0.8
85.06524	0.9
91.05484	3.6
93.07045	12.5
93.82624	0.7
95.04987	1.5
95.08611	31.3
97.06512	1.4
97.10172	2.5
98.20805	1.5
99.08096	3.5
105.07046	7.0
107.08591	19.2
109.06501	1.0
109.10164	21.3
109.86113	0.9
111.08099	1.0
111.11728	1.2
117.06969	1.4
117.15756	0.8
119.08575	7.7
121.06538	0.7
121.10146	22.8
122.10542	0.8
123.08080	0.8
123.11725	6.7
124.12086	1.2
125.09635	1.2
130.13168	0.8
131.08574	1.9
133.10117	6.3
134.10448	0.9
135.08047	2.0
135.11705	18.8
136.12030	1.3
137.09540	0.9
137.13269	6.7
143.08566	1.0
145.10152	3.3
147.11700	5.0
149.09636	1.0
149.13261	9.9
157.10124	1.8
159.11700	3.9
161.09587	1.0
161.13292	2.5
163.11125	1.4
163.14850	3.1
165.09146	1.7
167.07115	0.9
171.11703	1.3
173.13297	2.2
175.11243	1.1
175.14862	3.1
177.16411	10.1
183.11699	0.8
185.13237	1.0
187.14841	2.8
189.16423	2.4
191.10632	1.3
191.17952	100.0
192.18327	2.5
193.12265	1.5
197.13252	0.9
199.14885	1.6
203.17949	1.8
205.19572	1.8
211.13275	1.0
213.16451	1.1
215.18102	1.1
217.19542	1.9
223.17024	2.4
233.18877	1.2
297.25745	3.1
383.29474	1.0
411.32623	2.6
429.29883	5.4
429.37704	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3729
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
53.03957	1.0
55.05491	2.9
57.06845	1.3
57.07078	17.5
67.05511	7.3
69.07091	5.0
70.67686	2.0
71.08636	10.4
79.05471	3.3
80.53397	1.0
81.06608	1.2
81.07057	20.2
83.08614	3.8
85.10172	4.6
86.25197	1.1
91.05460	3.2
93.07044	4.9
95.08610	18.8
97.06543	1.4
97.10157	3.5
105.07005	4.6
107.08605	9.4
109.06537	1.2
109.10162	14.4
111.11721	2.4
112.99985	1.2
115.80293	0.9
117.06991	1.3
119.08596	5.8
121.06510	1.8
121.10170	7.0
122.07269	1.4
123.08044	2.5
123.11729	5.3
123.44585	1.0
123.48730	1.0
124.35979	1.0
131.08543	3.4
133.10146	2.8
135.08018	4.6
135.11710	4.6
136.08899	2.0
137.09625	13.6
137.13258	3.5
138.23840	1.0
139.07532	1.5
145.10103	5.8
145.11093	1.3
147.11687	2.4
149.09619	13.1
149.13196	2.0
151.07527	1.1
159.11673	4.3
161.13271	2.4
163.11192	18.5
163.14848	1.7
164.08321	2.5
165.09122	100.0
169.02620	1.2
172.08856	1.5
173.09619	2.4
173.13200	2.7
175.11208	3.9
175.14720	1.8
176.08321	1.3
177.09068	8.4
177.12700	3.7
179.10582	1.7
187.11107	2.9
187.14793	3.3
189.09052	1.2
191.10646	7.5
191.14223	1.8
191.17949	3.6
201.12773	2.1
201.16394	5.2
205.12273	8.8
205.15886	2.5
215.14351	1.7
219.13742	6.2
219.17427	2.1
233.15311	3.8
243.00461	1.0
275.20065	1.7
289.21747	2.0
303.23199	2.3
317.24969	1.5
320.22549	1.0
327.89218	1.0
345.28027	1.3
347.53531	1.2
393.35172	5.1
393.44809	1.2
401.34045	1.7
411.36288	7.8
429.31894	3.2
429.37253	44.4
430.37991	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	429.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.9
55.05507	18.1
57.07080	8.5
62.81552	4.4
67.05511	24.7
68.12556	3.4
69.07077	33.5
69.13880	9.7
69.14284	35.2
73.59694	4.2
73.90263	3.6
76.92581	4.7
79.05503	18.6
81.06599	5.2
81.07065	76.4
83.08604	17.0
91.05464	19.6
93.07054	34.0
95.04993	5.1
95.08615	100.0
97.06543	3.9
97.10188	14.9
98.21587	7.9
99.08089	16.1
100.44981	4.1
105.07047	29.5
107.08629	41.5
109.10163	61.2
111.11746	5.2
117.07018	5.5
119.08595	33.3
121.10146	42.1
123.08091	7.3
123.11737	41.3
131.08607	24.9
133.10153	27.7
135.11713	31.0
137.13283	42.1
143.08553	9.9
145.10155	37.0
147.11719	19.8
149.13264	39.3
151.14886	5.9
157.10124	4.7
159.11723	18.6
161.13268	21.0
163.03949	4.6
163.14839	34.3
167.07072	3.8
173.13286	11.6
175.14787	6.7
177.12766	6.7
177.16422	12.6
187.14867	14.6
189.16415	5.4
191.17957	17.9
193.19644	5.0
201.16342	21.5
205.15898	12.5
205.19547	22.6
215.17892	4.8
219.17471	21.7
229.19537	8.6
233.19025	4.4
243.20964	5.0
261.22049	6.3
280.23627	5.3
393.35233	8.3
411.36884	29.3
429.18604	13.3
429.25836	13.8
429.33826	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	429.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90757	6.1
55.05503	16.4
57.07079	10.0
67.05515	32.9
69.07080	49.3
79.05484	23.7
81.07064	100.0
83.08619	13.6
85.06549	6.9
91.05461	22.0
91.72980	5.3
93.07055	45.5
95.08619	99.3
97.10145	12.7
98.20769	20.0
99.08098	36.8
105.07051	43.3
105.58527	6.9
107.08588	62.7
109.10164	65.1
111.11719	14.1
117.06985	10.9
119.08592	50.8
121.10146	45.1
121.26874	5.7
123.11725	54.7
131.08563	18.8
133.10150	40.4
135.11748	29.8
137.13283	41.9
143.08571	11.0
145.10141	68.4
147.11679	43.5
149.13271	38.5
151.14796	8.5
159.11700	31.7
161.13290	22.9
163.11108	8.2
163.14809	54.7
171.11774	8.0
173.13274	18.7
175.14836	17.5
177.12737	10.3
177.16385	17.1
185.13219	9.2
187.14838	14.1
189.16338	6.7
191.17992	32.3
193.19452	11.0
199.14774	8.7
201.16385	45.0
205.15886	21.4
205.19548	12.1
215.17892	10.5
219.17418	44.0
229.19502	14.6
231.21257	7.5
243.21063	9.0
247.20618	8.4
255.20966	6.6
285.25836	14.6
317.69171	6.3
341.72357	6.4
356.99741	6.2
393.35449	10.5
411.31619	12.5
411.36823	39.6
414.14719	12.8
429.16794	81.1
429.33759	33.3
430.17703	25.5
434.80505	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	429.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.9
55.05516	3.4
57.03442	4.8
57.07069	1.5
65.03952	0.6
67.05509	11.1
69.03429	1.8
69.07066	3.7
70.67770	2.0
71.04977	1.0
71.08641	1.3
73.04757	1.0
75.14745	0.6
79.05493	10.1
81.03436	3.1
81.07056	14.1
82.34755	0.6
83.04986	1.1
83.08636	2.0
85.02935	1.0
91.05460	5.7
93.07042	12.3
95.04968	1.8
95.08611	10.5
97.02886	1.9
97.06515	1.1
97.10198	0.7
98.98460	1.1
99.08090	0.9
105.04500	0.7
105.07031	7.2
107.08599	8.8
107.75112	0.6
109.10170	4.7
111.08015	0.9
113.00021	100.0
113.09611	0.8
117.07021	2.1
118.62987	0.7
119.08598	4.0
121.10145	6.3
123.11695	1.6
129.07028	1.0
131.08571	3.9
133.10136	2.9
135.08093	0.7
135.11719	6.1
137.09616	0.8
137.13246	1.2
140.77565	0.6
145.10135	4.5
147.04395	2.0
147.11681	3.3
149.02310	1.0
149.09637	1.2
149.13264	3.9
151.01480	0.7
155.01059	1.0
157.10124	1.0
159.11716	3.4
161.13248	2.6
163.03873	1.1
163.14804	2.9
165.12891	0.9
169.02620	86.3
173.13281	2.7
175.11232	0.8
175.14934	1.1
177.16364	1.9
183.87381	0.7
187.14813	2.4
189.12872	0.8
193.12201	1.6
199.03970	0.9
211.13310	3.1
213.05437	0.7
231.21272	0.7
233.22533	0.9
243.21074	7.1
261.22159	21.5
285.86182	0.7
359.02847	0.7
429.11740	0.7
429.18298	4.1
429.29941	2.7
433.94415	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.6
53.79818	0.9
54.32772	0.8
55.01876	4.8
55.05492	1.5
56.49539	0.9
57.03424	4.2
59.05009	1.6
61.02907	2.2
68.99784	2.7
69.03432	20.9
69.07048	1.8
69.76835	2.3
69.77245	4.2
71.04983	3.0
73.00884	1.1
73.02904	3.7
79.05483	3.7
80.31867	0.8
81.03416	23.4
81.07053	4.5
83.04951	1.6
85.02907	43.7
87.00822	16.1
87.04457	1.5
91.05460	4.6
93.07043	7.9
95.04968	15.8
95.08636	1.5
97.02902	13.5
97.06512	2.3
99.04460	9.0
99.31146	1.0
103.03960	1.9
105.01875	13.4
105.07043	7.3
107.08604	9.9
109.02879	19.7
109.06515	1.1
111.91663	0.9
115.03881	1.6
117.01846	2.9
117.07021	2.5
119.08565	4.0
121.06499	4.3
121.10136	10.6
123.04379	1.5
123.08063	1.1
125.06025	1.2
127.03918	39.1
128.90846	0.9
129.01823	2.3
130.07771	3.0
133.06485	1.0
135.11710	5.5
137.06001	1.6
143.08574	1.7
145.04970	13.6
145.10114	9.9
147.02846	2.6
147.08023	2.8
159.02884	15.6
161.05910	1.2
161.09569	1.7
163.11183	100.0
164.11496	1.0
165.09149	1.0
167.07004	1.9
175.11166	2.6
181.12218	4.2
187.11197	0.9
188.06972	1.0
189.03874	1.7
189.09010	1.1
205.12233	5.1
213.03877	1.7
223.13258	7.8
231.04994	7.5
238.72913	1.1
265.02463	1.1
271.13461	1.0
274.61539	0.9
277.10571	1.1
289.14032	2.1
295.06000	1.5
303.97415	1.1
359.02615	1.4
386.55142	1.0
393.15619	1.7
411.16483	2.0
429.13480	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63676	1.3
51.22889	1.4
53.03935	2.1
55.01857	3.2
57.03446	7.1
57.07078	6.4
67.05495	2.9
69.03428	9.5
69.07061	2.5
69.87072	5.0
69.87482	2.5
70.06578	2.5
71.01477	1.2
71.04993	2.4
73.02931	2.1
79.05495	3.3
81.03428	9.2
85.02921	19.2
85.06534	7.5
87.00842	9.5
88.04556	1.6
95.04984	4.8
95.06111	1.3
97.02880	9.8
97.06524	10.6
99.04439	3.8
101.06036	1.7
101.41505	1.2
103.07594	35.0
105.01871	10.1
107.04934	2.4
108.73872	1.3
109.02876	7.1
110.07133	2.5
113.05991	3.7
123.04446	3.4
127.03925	17.7
127.07567	4.9
131.04895	1.3
131.07025	1.3
133.02873	3.0
134.03209	2.2
137.06006	2.6
143.08566	1.8
145.04948	4.2
145.08636	3.4
147.04410	1.7
153.05475	9.1
156.07697	1.7
159.02919	3.3
162.05450	2.0
163.09653	12.5
174.09152	2.7
176.10762	2.2
179.03394	16.2
180.03757	14.3
187.07634	1.6
188.07065	4.5
200.07082	3.3
203.12907	1.3
213.03783	1.6
218.08104	1.3
218.14304	1.3
228.10190	5.0
229.10924	3.6
231.05104	2.7
240.10333	2.4
246.11198	1.9
247.11984	2.1
249.11244	25.8
254.11902	1.5
264.10175	3.3
266.13901	10.4
267.09076	1.7
282.11237	3.5
283.08380	2.2
292.09888	4.7
293.07684	1.9
293.10532	5.3
294.07941	3.0
295.08539	9.1
296.09155	12.7
297.09955	23.0
298.10727	1.5
306.11398	2.2
307.12204	2.3
309.10159	2.7
310.10776	14.3
324.12918	4.8
335.11600	3.1
337.09628	8.1
352.11676	5.1
357.11584	1.7
366.13342	2.4
369.12186	2.7
384.14447	100.0
385.14706	2.4
428.12970	20.5
428.17859	5.1
429.13779	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.8
53.64921	2.5
55.01863	9.0
57.03438	17.2
57.07070	11.2
61.02927	5.3
67.05495	5.4
68.99788	3.7
69.03434	43.6
69.07056	2.3
69.17285	25.9
70.77710	2.5
71.04992	7.4
71.16039	2.3
73.02913	7.7
76.15735	2.5
81.03419	42.8
85.02911	100.0
85.06547	15.5
87.00837	45.5
89.96757	2.8
95.04960	7.8
97.02374	3.6
97.02907	34.4
99.04424	12.5
101.06037	5.7
102.68980	2.8
103.07588	98.8
105.01877	52.9
109.02889	34.7
109.29257	2.3
110.98009	2.7
113.05993	6.4
117.01851	4.8
118.28681	2.8
127.03929	84.7
127.07558	21.0
129.01839	2.7
131.07022	2.7
135.71002	2.7
145.04964	27.2
145.08621	7.7
147.02893	3.3
159.02882	12.3
163.09676	43.2
173.08078	6.9
189.85277	2.3
214.72237	2.3
229.10876	4.6
231.05043	17.2
249.06122	4.0
253.10754	5.3
331.13821	4.0
357.11804	10.9
375.12979	6.1
393.13757	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	429.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
60.10233	1.4
67.05484	2.0
69.03408	1.2
69.07072	1.8
70.62486	2.1
70.62821	2.6
79.05484	3.9
81.07060	3.2
82.86015	1.2
84.64774	1.2
91.05487	5.5
93.07026	2.5
95.04944	1.7
95.08618	1.6
103.05474	10.4
105.04515	1.6
105.07021	13.3
107.04969	13.9
107.08586	1.4
109.06477	4.3
109.13217	1.3
115.05465	6.3
115.21705	1.3
116.06229	1.2
117.07018	1.5
118.04144	1.8
119.04910	2.5
119.08533	2.1
121.10150	1.7
122.03658	3.6
123.84339	1.1
129.07001	2.0
131.04930	11.7
131.08536	1.5
132.05775	1.3
133.06499	6.7
133.10194	1.8
135.08064	4.0
137.05983	65.1
141.06976	2.6
146.03644	20.9
147.04468	2.5
149.05980	5.4
151.07539	7.4
153.06860	1.9
160.05182	2.7
161.05989	100.0
162.06560	2.6
163.07545	27.0
165.07011	4.5
166.07782	4.8
169.06470	6.2
175.07578	12.8
176.06128	1.4
177.05435	4.8
177.06900	3.2
178.07797	4.1
179.08546	3.7
181.06432	2.9
186.06744	1.9
187.07571	2.1
189.06998	1.5
190.07762	10.8
191.08485	3.9
193.06511	2.8
194.07283	17.0
201.09105	9.0
202.07761	1.5
203.08574	4.2
203.26401	1.4
204.09309	2.6
205.06514	10.0
205.10132	19.1
207.08047	4.2
209.09615	4.4
211.07555	3.2
215.08577	8.0
218.07291	9.3
219.08075	3.5
221.06073	7.7
221.09581	4.0
222.06773	15.8
222.10440	4.2
223.07576	2.6
224.08302	3.3
231.07993	1.7
232.08804	3.2
233.05907	5.3
233.09619	28.8
234.06706	2.8
234.10416	6.1
235.07523	7.7
236.08336	1.8
237.05484	1.9
237.09142	19.5
239.07045	2.7
239.30875	1.5
241.08623	1.7
247.07539	2.7
248.08188	2.1
249.05455	3.1
249.09114	5.3
250.06314	6.4
250.09923	12.1
251.06892	3.3
252.07874	2.8
253.08522	1.8
254.09326	4.1
261.09094	18.9
262.09790	4.3
263.07043	3.9
263.10596	2.7
264.07834	5.6
265.08603	45.6
265.12213	22.6
266.09158	1.9
267.10187	1.6
269.08093	4.7
275.10617	2.8
277.08627	2.9
278.09412	15.6
279.10120	6.8
281.08029	4.1
282.08838	5.7
283.09637	1.5
284.10394	5.3
293.11719	80.0
294.12369	3.8
295.09628	8.2
296.10361	1.9
297.11234	72.7
297.14648	3.1
298.11511	1.7
305.10175	2.9
310.11896	5.0
311.12756	5.7
325.14346	66.5
341.13852	3.6
343.15439	11.8
351.12195	3.6
353.13913	1.8
367.15204	2.2
369.13190	7.5
385.16461	17.9
397.12860	4.7
411.14429	5.0
429.15372	19.6
429.46326	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.1
55.05508	20.2
57.07076	10.5
67.05505	36.6
69.07072	30.1
69.65224	5.5
69.65630	15.3
74.51251	3.1
79.05492	20.3
81.03414	6.4
81.07058	75.3
81.07529	4.1
83.08620	15.8
83.09100	3.0
83.22614	3.0
85.06534	13.6
91.05476	28.5
93.07047	53.1
95.07994	4.9
95.08608	100.0
96.29370	2.9
97.10194	5.9
99.08126	4.2
105.07030	48.8
106.49907	2.9
107.08595	76.3
107.09312	6.1
109.06516	5.1
109.10163	84.7
111.11758	4.2
117.07046	8.7
119.08584	47.8
120.48411	3.1
121.10143	61.7
123.11712	45.2
125.09657	4.2
128.54552	3.4
129.07019	4.4
131.08560	24.3
133.10133	39.5
135.11700	50.7
137.13264	15.8
143.08580	10.0
145.10149	34.0
147.11684	32.9
149.09621	4.5
149.13266	36.1
151.14839	4.6
157.10120	12.7
159.11714	34.4
161.13280	30.8
163.11171	4.7
163.14841	36.0
171.11702	7.1
173.13240	33.8
175.14867	20.1
177.12758	10.8
177.16345	16.6
179.14322	6.0
185.13274	6.6
185.52034	3.2
187.14847	14.7
189.16422	21.9
191.14320	15.6
191.17960	51.9
193.15730	3.0
199.14845	13.7
201.16348	18.6
203.14282	3.9
203.17970	9.0
205.15923	10.4
205.19528	11.2
213.16435	6.0
215.14207	4.7
215.17999	5.7
217.15907	18.9
217.19543	13.8
219.17458	9.9
219.21260	3.7
231.21056	9.0
245.18896	3.5
247.20592	3.7
255.21162	4.3
269.22672	5.2
271.21051	3.8
281.23273	3.9
283.24216	8.0
301.25247	16.1
308.15677	3.5
313.25284	12.0
325.25354	7.5
331.26285	7.8
369.51651	3.4
391.33505	6.6
397.34488	6.9
409.35022	23.3
427.19659	4.6
427.36060	80.9
440.36725	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	427.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57050	3.6
55.05501	13.3
57.07062	10.4
67.05505	32.8
69.07067	36.4
69.52840	28.1
71.04965	5.9
73.89597	4.3
75.12762	4.4
79.05490	19.4
81.06606	5.6
81.07056	91.6
83.08604	13.0
85.06529	11.7
91.05471	12.1
93.07038	44.9
95.08609	100.0
97.06519	6.8
97.10159	8.8
99.08076	5.7
105.07024	29.8
107.08592	53.3
109.10150	64.6
113.05972	5.6
115.07575	5.4
115.43298	3.9
116.38430	3.6
117.07040	6.2
119.08592	24.0
121.10146	54.1
123.11708	30.3
125.28275	4.2
129.06992	4.2
131.08548	23.2
133.10127	39.0
135.11679	34.7
137.13242	17.1
143.08530	14.5
145.10155	35.6
147.11678	21.7
149.09801	4.2
149.13272	40.4
151.14864	6.9
157.10133	19.5
159.11699	23.5
161.13234	13.5
163.14833	74.3
165.16394	9.5
171.11566	5.2
173.13277	12.6
175.11244	4.5
175.14818	11.8
177.12749	7.5
177.16341	11.6
185.13181	6.4
187.14854	8.2
189.12769	5.6
191.14317	5.8
191.17963	74.1
193.19392	6.2
199.14810	9.9
201.16632	4.9
203.14325	9.6
203.17897	5.2
205.15826	7.9
205.19502	17.4
213.16437	5.2
217.15906	25.1
217.19542	8.3
221.15416	6.9
231.17465	7.1
231.21118	5.1
235.16882	10.8
241.19490	6.4
243.21071	5.0
313.28665	7.3
316.01727	4.3
391.33517	4.6
409.34637	33.6
427.35065	74.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3574
Annotation	HMDB12167
Peak:m/z	Relative Intensity
50.49865	1.2
53.03959	1.3
55.05517	19.8
57.07076	3.6
62.43874	0.9
62.85962	1.1
67.05514	7.5
69.07076	23.8
71.08638	1.6
71.22553	2.1
79.05087	1.1
79.05508	4.2
81.07063	18.2
83.08625	29.8
85.06564	1.3
85.62678	1.0
86.64790	0.9
87.04493	1.3
91.05518	4.1
93.07048	6.4
95.08620	19.1
97.10184	2.9
99.08114	1.2
101.09685	1.2
105.07041	6.4
107.08603	11.0
109.06480	1.9
109.10163	10.7
110.51965	1.0
111.08102	2.0
111.11709	2.3
113.09665	2.1
117.07027	1.7
119.08587	10.0
121.06531	3.9
121.10153	10.2
123.08062	5.1
123.11713	6.2
125.09684	1.8
127.11201	34.8
129.07004	1.1
131.08598	2.9
133.10168	8.8
135.11714	5.7
137.13310	4.6
139.11261	1.3
143.08594	4.9
145.10165	6.8
146.07314	3.4
147.08066	2.2
147.11685	5.8
149.09653	2.4
149.13268	6.1
151.11247	1.5
153.12782	2.2
157.10176	4.7
159.11714	5.9
159.99329	1.0
161.09671	3.6
161.13324	4.5
163.11259	3.9
163.14857	4.7
165.16391	1.2
167.14337	1.6
169.10228	2.0
171.11711	9.5
173.13333	3.2
175.11240	3.6
175.14859	6.6
177.12759	2.6
177.16393	4.2
183.11740	1.7
185.13322	4.2
187.11221	1.2
187.14859	3.2
189.16473	2.6
191.18036	3.4
197.13321	2.5
199.14894	2.6
201.12971	1.0
201.16451	1.5
203.17999	1.3
211.14893	2.5
213.16505	1.3
215.18045	2.0
217.15891	1.8
217.19603	1.5
219.17574	2.0
225.16351	2.5
227.18074	2.6
229.16112	1.3
231.17516	2.1
233.18956	2.4
243.17630	1.1
253.19569	2.0
255.21115	1.8
256.18365	3.0
257.22510	1.1
259.20447	1.1
271.20578	5.6
281.22568	6.5
285.22058	1.9
295.24234	1.4
299.23758	21.7
302.07599	1.0
309.25839	1.7
327.26837	1.2
394.32394	2.2
398.62628	1.1
409.34735	56.7
410.35095	3.2
427.35873	100.0
428.36139	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3571
Annotation	Oxidosenexone
Peak:m/z	Relative Intensity
50.32596	0.9
53.03925	0.9
55.05507	4.5
57.07064	2.7
67.05505	6.7
69.07069	10.3
70.75014	3.2
79.05486	4.8
81.03427	11.3
81.07054	20.3
83.08644	4.8
85.06538	1.5
85.94947	1.1
91.05492	4.8
93.07036	12.6
95.04972	7.5
95.08610	27.8
97.06525	4.3
97.10162	2.3
105.07030	8.1
107.08595	14.5
109.06530	10.2
109.10157	15.9
111.08020	1.4
117.07081	0.9
119.08576	8.0
121.06558	2.1
121.10159	9.6
123.08058	2.5
123.11718	6.9
131.08565	2.1
131.49261	1.0
133.10126	16.0
135.08098	1.6
135.11703	7.5
137.09575	1.0
137.13268	7.7
143.08574	1.0
145.10129	3.9
147.11676	3.8
149.09621	1.3
149.13251	5.5
151.11183	68.2
159.11742	2.3
161.13242	5.3
163.14841	3.1
173.13278	1.7
175.14771	1.9
177.12793	1.1
177.16339	1.6
179.14311	4.0
186.35062	1.1
187.14905	1.7
191.17967	4.7
203.14226	1.5
203.17915	1.5
215.17882	0.9
217.19516	1.2
221.15323	7.1
223.16933	3.2
227.17952	1.1
248.77040	1.0
271.20724	0.9
339.34753	1.0
368.53952	1.0
390.59778	0.9
409.34521	4.0
427.35699	100.0
428.36124	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	427.3571
Annotation	HMDB12167
Peak:m/z	Relative Intensity
55.05506	2.7
56.83403	0.9
57.07074	1.5
67.05507	5.8
69.07066	4.0
70.62238	1.9
70.62570	1.3
72.46907	0.8
78.38038	0.8
79.05500	6.2
81.07056	12.3
83.08615	2.6
84.46931	0.9
85.06542	1.5
88.48183	1.0
91.05483	4.2
93.07047	9.3
95.08613	16.5
97.06544	0.9
97.10199	1.5
103.61932	0.9
105.07027	8.8
107.08610	9.7
109.06526	0.9
109.10166	15.3
119.08565	7.5
121.10154	10.6
123.08007	1.5
123.11759	4.7
125.09666	1.0
131.08582	4.0
133.10147	7.4
135.08046	3.0
135.11705	7.6
137.09641	2.3
137.13252	4.7
143.08601	2.1
145.10104	5.6
147.11711	7.9
149.13260	7.7
151.07539	3.3
157.10173	2.5
159.11702	6.1
161.13284	8.0
163.11218	2.1
163.14854	3.0
171.11688	1.0
173.13281	3.9
175.14807	3.0
177.12791	1.6
177.16405	1.3
179.14355	1.0
187.14824	5.4
189.12715	1.9
189.16368	2.1
191.17955	9.8
196.97502	1.0
201.16359	1.8
203.14272	1.7
203.17970	1.6
205.15894	2.1
205.19563	1.7
210.99191	1.0
213.00598	1.7
214.98651	3.6
217.15930	1.8
217.19527	1.2
221.15466	1.0
229.00185	4.1
231.21114	1.5
281.07184	1.0
285.25702	1.7
295.24054	1.1
313.25272	7.8
325.25333	12.3
339.26871	1.0
409.34744	10.1
427.25430	3.3
427.35715	100.0
428.36047	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3573
Annotation	Koelpinin A
Peak:m/z	Relative Intensity
55.01875	2.8
55.05511	10.8
57.07084	10.4
60.32417	1.7
65.03919	1.8
67.05500	12.4
69.03447	1.9
69.07071	25.2
71.08640	3.7
79.05491	10.0
81.07057	42.5
83.04989	6.1
83.08626	11.4
85.06558	2.7
87.04460	6.2
91.05493	10.9
93.07050	21.0
95.04974	2.2
95.08609	53.2
97.06536	14.4
97.10163	5.4
98.20709	2.8
99.08080	3.4
99.28213	1.4
105.07038	25.1
107.08598	35.8
109.06523	7.0
109.10171	21.9
111.08081	3.5
115.07573	3.0
117.07025	3.5
119.08591	28.8
121.10159	23.0
123.08089	4.9
123.11726	13.0
125.09660	4.1
131.08568	10.9
133.10135	24.3
135.08038	2.8
135.11703	22.2
136.76013	1.6
137.09662	2.7
137.13261	14.5
139.11189	3.6
143.08551	4.7
145.10143	11.3
147.11685	14.7
149.09647	3.6
149.13243	17.1
151.11214	1.6
151.14864	2.9
157.10149	5.0
159.11700	11.5
161.13252	22.4
163.11209	2.5
163.14841	15.9
165.06911	1.7
165.09131	17.3
165.12758	3.1
169.10165	1.8
171.11687	3.7
173.13260	8.2
175.11208	1.8
175.14867	12.1
177.09145	1.7
177.12717	2.7
177.16420	6.4
179.10789	1.9
179.14322	40.0
183.11726	2.8
185.13298	4.0
187.11197	1.5
187.14909	7.1
187.74612	1.7
189.12772	1.8
189.16385	24.0
191.14345	1.9
191.17999	12.3
197.13309	1.5
197.15359	1.6
199.14853	3.5
201.12730	2.2
201.16452	4.8
203.14409	2.3
203.17929	8.0
205.12271	1.8
205.19572	2.1
207.17470	3.6
215.18022	10.4
217.15891	2.2
217.19537	3.7
221.19051	5.2
229.19560	4.5
231.13899	1.8
231.17516	3.0
231.21083	32.6
231.23235	2.3
233.19014	1.9
239.17982	2.3
247.20695	1.4
253.19641	2.6
255.21312	1.6
257.18936	1.6
259.20654	2.2
267.21075	1.8
271.20499	2.5
273.22089	2.2
281.22723	1.5
283.24173	1.6
285.22070	3.9
303.23346	2.4
327.26932	1.8
355.29623	1.7
391.33621	11.9
409.34750	25.8
427.35818	100.0
428.36346	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	427.3575
Annotation	Koelpinin A
Peak:m/z	Relative Intensity
52.67020	2.7
53.03944	2.5
55.05511	11.7
57.07058	7.2
58.73294	2.0
58.89756	2.2
60.17022	2.1
62.77874	2.1
67.05509	17.6
69.07070	28.7
69.54122	15.0
71.04983	3.2
79.05486	10.2
80.77739	2.6
81.07066	44.9
83.04986	2.9
83.08631	14.5
85.06524	3.9
91.05461	6.8
93.07058	18.4
95.04965	3.6
95.08617	62.8
97.06537	10.6
97.10155	7.9
98.21545	2.4
105.07030	22.0
105.65372	2.3
107.08607	30.9
109.06504	6.5
109.10167	30.7
111.08073	4.1
119.08589	22.6
121.06528	5.3
121.10157	31.7
123.08054	7.6
123.11726	24.6
131.08533	4.4
133.10141	17.5
135.08035	3.8
135.11702	22.1
137.09622	2.5
137.13278	20.2
139.11163	3.4
145.10086	8.2
147.11690	15.2
149.09605	6.5
149.13242	19.4
151.11197	4.3
151.14824	3.2
153.09073	3.3
157.10092	3.8
159.11710	10.2
161.13228	14.2
163.14822	15.2
165.12732	5.2
173.13216	9.8
175.14876	13.4
176.39336	3.0
177.12697	4.4
177.16344	8.8
179.14282	7.1
185.13284	4.7
187.14833	5.4
189.16475	11.1
191.14270	2.8
191.17950	9.6
199.14806	5.0
199.52756	2.4
201.16336	6.4
203.17966	3.7
205.15894	3.2
205.19547	4.3
207.13823	3.2
215.17943	4.3
217.19545	15.6
219.17415	6.7
231.17448	3.5
231.21083	6.3
235.16945	2.8
235.20705	2.5
241.19386	4.2
245.19058	6.9
245.22617	2.5
247.20685	4.4
253.19414	2.9
255.21222	3.0
259.20502	5.0
269.22311	2.5
287.15427	2.3
289.21677	2.9
301.25299	3.9
303.23254	2.7
303.26636	2.5
331.67416	2.3
355.29971	29.6
369.31531	2.5
383.33078	12.1
391.33551	10.9
409.34692	37.7
427.35510	100.0
428.35739	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	427.3573
Annotation	HMDB12167
Peak:m/z	Relative Intensity
55.05503	12.6
57.07075	8.9
67.05508	23.3
69.07078	27.5
71.09908	4.4
79.05499	13.8
80.75546	2.1
81.07058	91.4
81.07536	4.7
83.08631	16.7
85.06544	6.8
91.05477	9.6
93.07044	33.0
95.05027	3.0
95.08613	66.7
97.10157	9.1
99.08072	2.6
105.07033	24.6
107.08596	43.4
109.10165	41.4
111.11735	5.0
117.07050	5.2
119.08595	26.0
120.02100	2.0
121.10147	40.1
123.08087	2.8
123.11713	100.0
126.39592	2.4
129.31058	1.9
131.08560	10.9
133.10150	18.5
135.11687	39.6
137.13255	30.3
143.08562	4.6
145.10139	12.7
147.11696	15.8
149.09671	2.9
149.13257	27.2
151.07536	2.6
151.11163	6.5
151.14842	3.5
157.10129	6.5
159.11678	18.4
161.13264	15.9
163.14824	24.1
165.16414	3.5
167.10759	3.1
169.12216	4.9
171.11697	3.9
173.13239	12.3
175.14812	13.7
177.12723	3.7
177.16388	22.3
181.12238	3.6
183.11641	3.2
185.10593	2.2
185.13367	3.8
187.14850	10.8
189.16417	19.3
191.17969	20.8
199.14870	6.0
201.16446	2.7
203.14363	4.1
203.17984	7.0
205.15909	2.9
205.19518	14.7
215.17987	3.9
217.15880	10.4
217.19472	5.6
219.21111	3.0
227.17972	3.0
229.19412	4.2
231.21091	5.5
233.19037	3.5
243.21078	4.8
245.22655	3.5
247.20663	3.8
257.22601	4.0
259.24207	30.3
289.21646	4.3
303.23245	5.8
343.26367	2.6
367.33420	3.6
381.35242	7.5
385.91794	2.4
391.33319	2.6
397.34552	3.1
399.36087	3.8
409.34671	22.6
427.35733	68.3
428.35855	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	427.3572
Annotation	HMDB12167
Peak:m/z	Relative Intensity
53.03938	0.8
55.05519	5.1
55.05749	1.1
57.07060	2.9
67.05509	9.1
69.06734	1.1
69.07073	12.4
69.46333	6.0
71.04985	0.9
75.09536	0.8
79.05488	5.9
81.07057	26.7
83.08621	6.0
85.06554	6.5
86.23103	0.9
87.70984	0.9
87.95962	0.9
91.05470	6.5
93.07057	14.6
95.04989	0.9
95.08610	34.4
97.10172	3.7
99.08086	1.0
102.32178	0.8
105.07032	8.3
107.08598	16.4
108.62132	1.0
109.06541	2.0
109.10163	22.7
110.10572	0.9
111.08057	1.7
111.11681	1.3
117.07039	2.0
119.08585	8.6
121.06470	1.5
121.10135	12.1
123.11714	12.5
125.13325	1.3
129.06978	0.9
131.08589	5.2
133.10129	10.8
135.08076	1.6
135.11694	10.1
137.09634	1.6
137.13275	11.8
139.11159	0.9
141.11996	0.8
142.07707	1.0
143.08571	4.0
145.10126	8.8
147.08115	0.9
147.11702	8.7
149.09648	1.6
149.13277	10.2
151.11185	1.7
151.14870	2.1
151.38994	0.9
153.09100	4.7
155.08551	1.0
157.10121	4.7
158.10948	0.8
159.11717	9.3
161.09616	1.0
161.13254	5.5
163.11215	1.3
163.14816	9.4
164.19775	0.9
165.16451	1.7
165.18407	0.8
169.10135	1.1
171.11736	4.1
173.13263	5.2
175.11211	2.1
175.14830	3.9
177.12773	2.7
177.16309	4.3
179.17946	1.0
183.11729	1.5
185.13286	4.0
187.14856	3.5
189.12740	2.5
189.16489	1.4
191.14276	2.6
191.17934	7.4
197.13283	1.5
199.14824	3.3
201.12744	1.1
201.16406	2.2
203.14406	3.0
203.17897	2.1
205.15930	1.5
205.19527	2.6
211.14804	1.0
213.16406	2.7
215.14435	1.7
217.15865	8.4
217.19450	1.9
227.17978	2.3
229.15935	1.7
231.17441	1.6
231.21056	1.2
241.19507	1.5
245.18979	2.9
245.22696	1.4
253.19392	1.2
257.22504	1.7
259.20605	1.6
259.24283	2.3
271.20584	3.5
271.24124	1.5
273.21872	1.1
285.22116	2.0
299.23727	1.8
367.29718	1.1
391.33548	1.8
409.34650	12.7
427.35739	100.0
428.36154	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.0
55.05519	10.2
57.07078	10.2
67.05511	22.0
69.06729	2.2
69.07074	25.2
69.18939	14.8
70.26249	1.4
71.08624	2.5
78.63159	1.3
79.05495	10.1
81.07060	68.7
83.08623	12.8
87.76072	1.6
91.05481	12.6
93.07053	25.8
95.08611	100.0
97.10161	6.0
98.21466	2.8
99.08112	2.3
103.01064	1.3
105.07037	18.9
107.08607	42.8
109.06513	1.8
109.10159	40.5
110.75877	1.4
111.08097	2.0
111.11708	3.4
113.09624	2.8
117.07008	2.9
119.08583	23.3
121.06481	1.7
121.10150	32.7
121.30034	1.3
123.08033	1.6
123.11710	34.0
125.09637	2.6
126.75491	1.6
128.90750	1.5
131.08586	4.6
133.10141	22.4
133.34470	1.3
135.08099	4.2
135.11703	26.4
135.44536	1.4
137.13266	51.6
145.10149	9.5
147.11717	18.1
149.09709	1.6
149.13277	22.3
151.07596	1.9
151.11142	2.1
151.14822	4.4
152.35764	1.3
153.09109	4.2
157.10136	2.2
159.11731	8.5
161.13283	11.8
163.11053	1.8
163.14839	8.9
165.09200	3.0
167.10683	4.8
169.12242	1.4
171.11626	1.7
173.13298	6.4
175.14810	10.1
177.16414	8.9
179.10626	2.6
179.17978	6.1
181.12170	2.4
185.13258	2.6
187.14818	11.5
189.16389	12.2
191.10571	1.5
191.18008	10.8
193.12315	2.3
199.14815	2.7
201.16429	2.8
203.17953	8.1
205.12213	3.1
205.19502	6.9
207.13782	2.9
209.15529	2.0
213.16422	1.6
215.18039	3.9
217.19566	7.2
219.13818	2.0
219.21141	2.3
221.15408	3.8
229.19470	2.7
231.21024	2.7
235.16893	4.7
243.21101	2.5
247.16895	2.6
249.18500	8.5
252.40689	1.5
271.20395	1.4
277.21609	2.1
277.43372	1.5
289.21710	2.1
292.72119	1.6
303.23288	1.8
357.27832	2.3
367.33591	5.8
383.33182	6.9
391.34006	1.7
409.34598	5.6
427.35690	43.5
428.36044	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.7
55.01865	4.4
55.05497	2.7
56.70292	1.1
57.03425	2.7
59.05000	1.1
67.05512	6.5
69.03416	3.1
69.07074	11.7
69.75391	2.5
69.75809	3.3
71.08602	1.1
74.09726	1.0
79.05078	1.2
79.05496	17.2
81.03404	3.2
81.07073	7.0
83.04980	1.5
83.08607	1.8
85.02893	1.1
91.05466	4.7
93.07034	3.0
94.49604	0.8
95.04965	3.2
95.08591	4.5
97.06533	100.0
97.10124	1.1
105.07056	5.6
107.04944	3.2
107.08599	3.8
109.06519	1.7
109.10149	3.8
112.74745	0.9
115.05437	1.7
117.07093	1.2
119.04913	1.1
119.08585	3.6
121.06480	3.1
121.10153	3.0
123.04443	5.2
123.11682	1.5
127.03913	1.0
131.04967	2.2
131.08553	2.4
131.82062	1.0
133.06459	1.4
133.10133	2.2
135.04398	2.5
135.08029	1.7
135.11636	3.1
136.04201	1.1
137.05991	6.5
143.04930	2.7
145.10059	2.0
147.04372	2.7
147.11722	2.3
147.75710	1.1
149.05948	2.6
151.07571	1.9
153.06958	1.5
155.08525	2.0
157.06528	1.2
159.08087	1.3
159.11723	2.2
161.05988	21.3
161.13333	2.0
162.06454	1.3
163.07532	6.0
165.06990	5.5
167.08554	2.0
175.07520	4.9
178.07872	1.3
179.07077	2.2
179.08549	2.5
181.06531	3.0
183.08087	2.2
187.14813	1.4
188.04662	3.2
189.09073	1.1
191.06990	5.4
193.06482	4.5
194.07277	1.8
195.08101	3.3
197.06018	1.6
199.07570	1.7
201.09227	1.2
203.06998	10.4
205.06578	1.9
205.08620	3.8
207.08070	4.2
209.05991	2.8
209.08049	3.3
210.06728	4.0
211.07518	8.3
213.09160	2.5
214.18002	2.1
215.18156	1.7
218.07292	1.1
219.08066	2.1
221.06035	7.7
221.07935	2.3
223.07533	3.6
224.08559	1.4
225.09187	4.8
226.06201	1.9
227.07108	2.7
234.06595	1.1
235.07651	5.0
236.08147	1.5
237.05406	3.1
237.09116	2.2
238.06155	3.7
239.07016	13.3
239.10634	2.2
240.07713	1.3
241.04871	1.3
241.08571	4.3
243.10199	1.1
249.09068	2.3
251.06837	1.5
252.07736	2.0
253.08586	9.0
255.06546	2.2
262.06189	1.3
263.06976	2.1
263.10727	1.6
265.08511	1.6
266.22577	1.1
267.10193	5.3
269.08105	5.9
270.08707	2.5
271.06912	1.9
271.09665	22.6
277.08557	3.0
279.06451	1.5
280.07434	1.5
281.08163	2.7
283.05539	1.1
291.10040	5.4
291.85376	1.0
293.08096	1.6
293.11597	1.5
294.08923	1.9
295.09637	6.7
295.12881	1.8
307.09738	1.3
309.11285	4.5
311.09055	2.9
312.09863	2.1
313.10693	36.7
317.11615	1.5
323.09274	1.6
323.12726	11.0
325.14380	2.6
330.10950	3.1
331.11899	4.1
335.12778	3.4
337.14401	2.0
341.10208	1.7
347.12836	1.7
349.10660	1.2
349.14383	11.0
365.13815	19.1
367.15417	25.5
373.14453	2.4
383.14868	8.5
391.15454	10.3
409.16461	32.5
427.17670	2.3
427.26617	2.4
427.31851	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1581
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	3.6
55.05511	3.1
57.07098	1.6
60.73293	1.6
67.05519	7.4
69.03445	1.8
69.07083	7.5
71.49432	2.0
79.05501	11.3
81.03416	1.9
81.07085	8.7
81.07468	1.5
83.08612	2.6
85.02886	1.5
89.61850	1.5
91.05486	7.2
93.07050	7.9
95.04960	2.1
95.08611	11.8
97.02894	2.6
97.06539	37.0
97.87918	1.5
105.07028	6.0
107.04956	1.7
107.08612	11.9
109.10165	5.8
115.05459	2.0
119.08598	8.5
121.06545	2.3
121.10188	9.6
123.08087	2.1
123.11710	3.9
127.00048	3.1
131.08614	3.2
133.06516	1.8
133.10155	7.0
135.08127	2.1
135.11687	9.4
137.05989	4.6
137.13254	2.3
143.08560	2.7
145.10103	6.7
147.04414	1.9
147.11699	2.9
149.09496	1.8
149.13281	4.4
157.10168	2.4
159.11772	7.1
161.06007	8.9
161.13304	3.5
163.07571	2.6
163.14874	3.0
167.03172	7.2
171.11671	4.0
173.13290	6.1
175.07645	2.3
175.11256	1.6
175.14911	3.9
179.08482	1.6
179.10443	5.8
185.04288	5.4
187.14795	2.3
189.16402	2.6
191.07043	5.1
191.14232	1.6
191.18050	2.0
193.06526	2.5
194.27176	1.5
197.13263	1.7
198.11319	2.0
199.14871	3.4
201.16367	5.5
203.06998	5.6
203.14334	1.7
205.08617	1.7
209.15417	3.5
211.07558	3.1
219.17699	1.9
221.05962	2.6
225.09050	2.1
227.05258	20.7
227.17946	2.3
235.07552	3.0
239.07040	4.4
241.08372	1.6
247.07568	1.7
248.88074	1.8
253.03363	2.2
253.08560	1.8
259.20300	1.6
263.10483	1.9
269.08112	1.5
270.09290	1.5
271.04279	100.0
271.09320	3.7
281.08408	2.4
291.10184	3.4
309.11340	3.1
313.10672	13.6
323.09201	2.8
323.12866	5.2
323.95914	1.4
325.14352	1.9
335.12854	2.4
341.15710	3.4
347.12607	1.5
353.28516	3.5
365.14096	10.8
367.15472	11.1
381.31577	4.3
383.16852	21.9
391.15625	2.0
409.16367	13.8
409.26392	1.7
409.30872	9.2
427.15787	98.3
427.27676	3.0
427.31808	10.4
428.15985	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.2
57.03429	0.3
57.04581	0.4
69.03423	0.4
69.40820	1.4
70.06579	0.3
72.08141	0.3
75.72484	0.2
81.03420	0.6
85.02916	1.1
87.00827	0.3
91.05463	0.3
94.04051	1.8
95.06062	0.2
97.02958	0.3
97.06523	0.4
103.07581	0.4
109.02882	0.9
115.25629	0.2
119.03561	0.3
123.04422	1.7
123.06685	0.8
127.03928	0.6
133.02867	1.5
133.05037	0.3
135.04410	0.3
137.05983	1.0
147.04422	0.3
148.06168	0.3
150.07751	100.0
151.03816	0.5
151.08028	0.7
177.05582	0.3
179.03394	17.0
179.06825	0.5
200.07126	0.3
202.07716	0.2
203.08575	0.5
218.08340	0.3
219.08142	0.4
228.10229	0.3
231.08136	0.5
236.09111	0.4
248.08353	0.8
263.10684	0.6
276.07782	0.3
282.12003	0.8
291.10153	1.0
293.08258	0.6
295.11511	18.9
309.05008	0.2
323.12793	2.8
351.04440	0.2
384.14258	1.5
427.16055	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.3
55.01873	0.9
56.05017	2.7
59.04995	1.0
61.01154	2.1
61.02937	1.3
63.56892	0.8
69.03428	5.1
69.33968	6.0
69.34386	1.8
70.06587	1.7
71.69537	0.8
72.08169	1.0
79.05480	1.2
81.03404	2.8
81.07093	1.1
81.88100	0.9
83.04990	1.1
84.04493	1.4
85.02886	2.6
85.83517	0.8
87.00818	1.9
91.05476	2.5
94.04166	1.0
97.02895	6.6
97.06514	1.2
97.52047	0.8
104.05338	6.1
106.06557	1.0
109.02870	1.9
111.04428	2.1
119.04936	1.6
122.03628	1.8
127.03889	6.6
129.01822	1.0
129.06963	1.5
130.05031	1.4
131.04927	1.6
131.06905	0.9
135.04405	1.5
136.06192	58.0
137.05972	30.8
149.06003	2.0
154.37502	0.9
158.67389	0.9
160.04234	1.2
161.06006	2.4
163.03935	1.5
165.06931	1.1
167.25485	0.8
174.06760	3.5
175.07481	1.6
177.05438	1.2
179.07033	11.0
187.07585	1.4
189.09084	2.4
192.09404	1.1
199.07623	1.7
202.07774	6.2
203.08591	16.1
205.06502	3.2
215.08647	1.3
217.08580	3.6
219.08003	3.9
220.08859	6.5
231.06105	1.5
231.08109	19.9
232.08780	5.7
233.05911	3.5
237.09067	1.8
245.09737	1.3
247.07629	5.6
248.08330	22.4
249.09044	3.8
250.06252	2.7
259.07520	7.8
260.08304	5.6
261.09009	2.6
262.06165	1.0
262.09979	1.0
263.10687	19.9
265.06085	1.0
265.08578	6.6
273.08960	0.9
274.77472	0.8
275.07120	1.7
276.07779	11.3
277.08545	8.5
278.05746	2.7
279.34814	1.0
280.10919	2.6
290.09326	2.0
291.10156	37.2
292.11023	4.5
293.08081	12.8
294.08444	0.9
305.11728	1.1
307.06253	1.1
307.09692	1.6
308.10461	7.5
323.12784	100.0
324.13043	2.6
344.04404	0.9
427.14413	4.5
427.19116	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.3
69.07053	1.5
69.23997	8.2
69.24408	1.8
79.05481	2.8
81.07071	2.4
81.39759	1.0
83.99722	1.0
91.05475	3.3
93.07024	1.2
94.04214	5.2
95.04935	1.4
95.08611	1.7
97.02869	1.5
97.06499	1.5
101.76639	0.9
103.05458	2.5
105.07050	6.4
107.08591	1.5
109.06542	2.4
115.05460	2.7
119.08515	1.0
121.10174	1.5
122.03657	10.1
128.06239	1.9
131.04948	1.2
133.06494	3.5
137.05983	100.0
138.06319	1.7
141.07013	1.6
145.10060	1.0
146.03618	2.6
147.04369	1.4
156.05719	1.2
161.05983	30.1
171.08133	1.0
175.07481	2.0
184.05191	2.7
185.08257	1.1
187.07469	1.9
190.07816	1.1
192.09387	1.9
199.07555	20.6
202.07814	9.0
203.08557	13.0
204.09245	1.5
205.06570	1.6
215.08479	1.9
219.08037	6.0
220.08836	4.1
230.07292	1.5
231.08058	18.9
231.10274	1.8
232.08815	6.2
233.09897	1.1
245.09590	1.6
247.07533	3.5
248.08322	12.5
249.09023	2.1
251.77769	1.1
259.07593	14.7
260.08307	6.3
263.10706	10.9
275.07071	3.0
276.07758	6.4
277.08636	3.9
291.10175	46.3
292.10760	5.1
293.08121	1.7
295.09720	1.4
295.13016	2.1
308.10486	2.2
323.12796	25.4
323.16504	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.5
55.05501	1.7
57.03421	0.4
57.07065	0.9
58.50697	0.4
59.15258	0.4
65.03954	0.3
67.05515	2.6
69.07062	2.7
69.40087	1.9
69.40489	0.6
72.93827	0.4
75.59956	0.3
79.05495	1.9
80.31111	0.4
81.07063	7.9
81.29563	0.4
82.07380	0.5
83.08601	1.3
85.02895	1.3
86.09692	0.6
91.05482	0.7
93.07039	3.2
95.08611	9.5
95.14819	0.4
96.08900	0.3
97.10172	0.6
105.07025	1.1
106.07353	0.4
107.08587	4.3
109.10155	3.9
111.11660	0.4
112.07607	0.6
119.08604	1.6
121.10155	3.4
123.08104	0.4
123.11732	2.4
124.11243	3.7
131.08545	0.4
133.10132	1.5
135.11682	2.4
137.13272	4.5
138.09138	1.0
140.10712	8.2
145.10110	0.6
147.11641	0.9
149.13287	2.4
151.14809	0.6
152.10712	19.2
161.13269	0.5
163.14842	1.2
173.13268	0.5
175.14841	0.7
177.16388	0.5
178.12274	0.5
184.07327	1.2
189.16367	0.6
191.17838	0.5
203.18040	1.0
206.15453	0.6
220.17032	0.4
231.21201	0.5
245.04768	0.7
267.06851	0.5
305.11938	1.0
328.19388	0.5
426.37335	100.0
427.37671	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	427.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.9
55.01863	0.6
57.03423	0.4
60.24866	0.2
69.03428	1.9
69.50037	0.4
69.50439	1.3
70.06577	0.2
73.02937	0.4
81.03424	2.0
83.01397	0.2
85.02910	3.2
87.00841	1.6
89.03911	0.6
91.86574	0.2
95.04929	0.3
97.02881	1.5
99.04439	0.8
101.67142	0.2
103.07615	0.2
105.01884	1.0
105.03384	0.5
109.02879	2.6
117.03376	0.4
123.04431	8.9
123.05347	0.5
127.03911	2.7
128.68974	0.2
133.02850	9.1
135.04436	1.8
137.05954	0.5
145.04980	1.0
151.03894	4.2
159.02866	1.3
179.03391	100.0
180.03770	1.0
206.50438	0.2
213.03888	0.3
231.04953	0.7
253.61391	0.2
323.12714	0.3
427.09433	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55474	0.6
56.05034	1.5
57.98799	1.2
58.99294	1.4
58.99588	24.1
59.94039	0.6
60.08173	0.7
60.59079	0.6
69.03426	2.0
71.48962	1.4
73.01133	0.7
74.00674	2.8
76.02231	100.0
76.04002	4.8
79.05506	0.8
81.03413	1.0
83.06107	1.9
84.04506	14.5
85.02914	2.1
85.04021	1.3
86.09704	1.4
86.99043	4.9
87.09984	0.7
88.02223	2.4
92.05010	2.7
94.06568	14.6
95.04960	0.7
95.19604	0.7
97.02921	0.8
98.97562	1.3
99.05570	4.2
102.00144	1.5
104.10751	1.9
105.11106	0.8
106.06554	3.0
107.06105	0.9
115.05489	0.7
116.01678	22.6
120.04471	6.3
124.02206	1.0
127.03928	1.0
127.05067	0.8
129.06712	0.9
130.05008	4.7
137.06003	6.5
141.04832	1.3
142.03247	8.0
144.01143	12.1
145.06094	3.2
150.03775	1.3
153.06651	1.5
161.05986	1.1
162.02205	35.4
170.02751	2.4
175.07610	0.9
177.03346	3.5
177.04875	1.9
179.04858	51.4
179.07118	1.8
181.06131	2.3
183.62080	0.8
184.07399	2.4
187.05426	1.9
187.07472	1.2
195.05881	39.3
199.07158	2.7
201.08861	0.8
205.02875	1.4
219.01752	1.0
231.06342	0.8
233.05956	2.8
245.05960	2.5
248.08380	0.9
257.07712	1.3
280.07739	3.9
281.05963	1.8
293.98187	0.7
298.08563	28.7
301.78851	0.7
308.09537	0.6
313.62793	0.8
323.12830	2.6
352.09540	1.4
427.11792	1.2
427.16791	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00272	0.2
55.05513	1.5
56.74582	0.2
57.07065	0.4
58.03662	0.3
62.06078	1.0
67.05497	1.1
68.74464	0.3
69.07067	2.1
70.06588	0.6
70.32153	1.0
71.07372	0.3
71.08630	6.6
72.08153	1.3
79.05498	0.7
81.07053	2.7
83.08617	1.4
84.08154	1.4
86.06065	3.1
86.09676	0.6
91.05483	0.3
93.07033	0.9
94.06538	0.4
95.08618	1.5
96.08139	2.7
97.06547	0.4
97.10147	0.4
98.06070	0.8
98.09695	2.4
99.08096	2.5
105.07018	0.5
107.08609	0.9
108.08140	1.4
109.10143	0.6
110.09620	0.4
113.08380	0.4
114.09180	0.3
116.10735	16.2
119.08598	0.4
121.10174	0.3
122.09669	2.0
124.07599	0.5
124.99966	0.4
126.09141	0.3
133.10115	0.3
136.11183	0.5
140.10667	0.5
143.10635	1.6
145.37291	0.3
148.95840	0.3
149.13264	0.7
154.12297	0.4
154.15900	3.3
164.14377	0.6
166.15887	2.5
168.17540	0.6
178.15906	1.4
184.07364	1.2
196.16978	7.8
196.18816	0.5
214.18022	100.0
215.18355	1.4
238.18153	0.3
256.19083	0.5
256.59177	0.3
257.17413	1.4
285.24152	0.5
310.23822	1.5
328.24799	4.2
342.27283	0.3
408.31076	1.0
426.26599	0.5
426.32156	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	425.378
Annotation	Fern 9(11)-en-12-one
Peak:m/z	Relative Intensity
53.03939	0.9
55.05519	8.7
57.07074	3.5
67.05516	6.8
69.07070	11.9
69.79514	3.5
79.05488	3.4
80.61470	0.9
81.07064	17.4
83.04987	2.1
83.08621	4.6
87.08092	0.8
91.05482	4.5
91.25781	0.9
93.07051	10.5
95.04987	1.0
95.08614	32.0
97.06519	1.1
97.10171	8.3
98.21487	1.5
105.07035	6.8
107.08598	18.2
109.06529	2.7
109.10170	20.0
111.11707	1.9
117.07024	1.2
119.08589	7.6
121.06539	2.2
121.10147	12.9
123.08100	3.7
123.11720	8.8
131.08589	4.3
131.68314	0.9
133.10138	7.3
133.46858	0.7
135.08057	14.3
135.09006	1.0
135.11697	13.3
137.09653	2.7
137.13271	12.8
143.08582	1.8
145.10139	5.5
147.08061	1.1
147.11714	5.9
149.09669	3.7
149.13268	8.9
151.14775	1.1
157.10158	1.6
159.11693	5.9
161.09654	1.1
161.13268	3.6
163.11206	2.9
163.14848	3.3
171.11748	1.9
173.13298	4.1
173.65575	0.8
175.11334	1.4
175.14864	2.5
177.12752	1.9
177.16429	1.7
179.17905	1.0
185.13280	1.8
187.14868	2.7
189.16353	5.4
191.17955	47.9
192.18402	1.2
199.14876	0.9
201.16412	4.7
203.14389	1.3
203.18013	1.9
205.15881	1.0
205.19580	2.4
213.16415	1.4
215.18037	3.8
217.19614	1.3
219.17461	19.0
229.19604	1.6
233.18990	0.8
235.20901	0.8
243.21092	1.1
269.22638	1.6
271.24142	0.9
283.24457	1.3
289.25311	2.2
301.25278	1.5
315.26953	4.5
325.28912	2.7
327.26758	0.9
329.28543	3.1
339.30576	2.4
341.28391	21.8
407.36804	5.6
425.37866	100.0
426.38132	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	425.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66078	1.8
55.05512	15.4
57.07069	7.3
57.61727	2.0
65.03928	3.0
67.05504	27.7
69.06731	2.6
69.07067	26.6
69.52771	2.2
69.78210	5.9
69.78608	3.4
79.05487	16.0
81.06596	3.4
81.07059	65.0
83.04996	2.2
83.08630	11.0
85.06525	3.0
91.05469	11.0
91.78416	1.6
93.07047	28.3
95.08609	100.0
97.10172	4.4
103.79803	1.8
105.04512	1.9
105.07028	19.3
107.08590	36.9
109.10162	48.3
111.11716	4.5
113.09637	3.3
117.06993	3.4
119.08585	22.0
121.06549	1.7
121.10139	35.6
123.08022	3.0
123.11710	32.1
125.09541	1.9
131.08609	12.3
132.10616	1.6
133.10136	18.6
135.08089	3.4
135.11697	24.3
137.13246	30.8
139.11125	2.2
143.08484	4.4
145.10164	14.5
147.11711	17.4
149.13268	25.2
151.14775	4.4
157.10201	2.7
159.11693	13.9
161.13269	13.3
163.14850	19.5
171.11713	3.6
173.13261	7.9
175.14771	11.8
177.12793	2.6
177.16310	11.1
179.17975	3.0
183.79448	1.9
185.13278	4.5
187.14842	8.6
189.12712	3.0
189.16376	9.3
190.13634	2.7
191.14377	2.5
191.18010	14.8
199.14874	3.0
201.16437	8.9
203.14380	2.0
203.17966	4.9
205.15892	4.8
205.19548	6.7
206.30495	2.1
215.17932	6.0
217.15863	3.0
217.19511	7.0
219.13815	7.0
219.17413	4.5
219.21165	2.6
227.17793	3.5
229.19543	4.9
231.21017	4.3
233.19034	3.6
241.19554	2.8
243.21159	2.3
247.20514	4.1
255.21010	2.3
261.21970	2.6
269.22681	2.6
283.24277	2.9
287.23929	2.7
395.32840	2.6
407.32748	6.3
407.36798	8.2
416.15561	1.8
425.33691	30.0
425.37814	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	425.3779
Annotation	Fern 9(11)-en-12-one
Peak:m/z	Relative Intensity
55.05509	9.1
57.07063	6.2
57.89689	1.6
67.05512	14.6
69.07068	23.7
71.27168	2.7
74.66231	1.8
79.05488	7.9
81.06596	3.0
81.07061	54.2
83.08629	10.2
83.09045	2.0
91.05479	4.9
93.07049	19.6
94.46110	1.7
95.08612	72.5
97.10158	6.0
102.72228	1.9
105.07034	11.0
107.08604	30.8
109.09406	2.1
109.10155	39.1
119.06207	1.7
119.08590	10.4
121.10146	29.1
123.11713	23.0
131.08545	3.6
133.10141	12.1
135.11693	29.5
137.13272	30.6
145.10149	6.7
147.11722	9.1
148.12511	2.0
149.13287	23.5
151.14891	3.4
159.11681	7.7
161.13271	6.1
163.14841	8.5
173.13315	6.2
175.14871	6.2
177.16377	5.3
182.76436	1.7
187.14848	5.7
189.16414	7.5
191.14359	2.0
191.17964	35.5
201.16512	4.2
203.17976	3.5
205.15887	2.4
205.19528	3.2
217.19421	3.0
219.17456	36.4
229.19508	3.6
231.21059	4.1
233.19005	2.9
243.21010	2.4
257.22653	2.4
269.22635	3.9
271.24298	2.2
283.24139	3.1
287.23648	4.3
289.25186	6.2
300.14023	1.9
301.25327	10.9
407.36783	15.3
425.37854	100.0
426.38434	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3779
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	10.6
57.07068	8.1
67.05509	21.2
69.07070	27.9
69.30078	16.9
71.08609	2.7
79.05485	9.3
79.69220	1.9
81.07056	56.1
83.08634	10.2
91.05483	11.3
93.07048	31.0
95.08611	100.0
97.10169	8.1
105.07031	16.0
107.07888	2.6
107.08596	38.7
109.06528	2.2
109.10157	50.4
119.08593	22.1
121.10144	52.6
123.08084	2.8
123.11715	27.2
131.08578	8.4
133.10133	19.1
135.11691	24.8
137.13257	20.9
143.08601	1.8
145.10127	10.0
147.11690	14.0
149.13264	33.4
151.11232	2.4
151.14848	7.3
157.10210	4.1
159.11771	10.0
161.13292	9.4
163.14850	16.1
167.07054	2.6
173.13258	8.6
175.11221	1.9
175.14832	11.5
177.16371	11.8
185.13286	2.2
187.14832	5.5
189.16403	9.0
191.17955	27.7
199.14868	4.6
201.16481	5.6
202.77620	2.3
203.17934	7.0
205.19534	5.3
213.16443	3.4
215.17905	5.8
217.15851	3.0
217.19533	6.9
220.03427	1.9
225.16318	2.2
227.17853	3.0
229.19670	2.8
231.21089	4.0
233.15417	9.1
241.19740	2.1
245.22652	4.6
255.20973	3.3
257.22736	3.9
259.24203	4.7
269.22598	3.4
283.24173	2.2
301.25192	2.6
343.20990	2.0
351.26535	2.1
397.38409	3.5
407.32559	18.3
407.36954	5.8
425.33130	60.0
425.38187	26.8
426.34189	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3417
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
53.03946	1.2
55.05517	6.8
57.03431	0.8
57.07082	3.7
60.08160	0.9
62.20078	0.6
62.62451	0.6
63.42587	0.6
63.86705	0.7
65.03949	0.6
67.05186	0.9
67.05508	12.1
68.05855	0.7
69.03446	0.8
69.06742	1.1
69.07079	14.8
69.29847	3.9
69.30270	2.5
70.37778	0.7
71.04971	0.9
71.08627	2.1
72.08163	6.9
74.09716	1.5
77.03902	0.8
79.05504	6.3
81.07068	31.3
83.04967	2.9
83.08633	6.5
85.06532	2.6
86.09721	7.6
88.11267	4.1
91.05505	5.8
91.05991	1.2
93.07057	12.5
95.08620	39.4
97.06545	0.8
97.10192	4.5
98.20748	1.4
99.08060	1.0
105.07046	12.9
107.07899	0.9
107.08606	17.7
109.06540	4.7
109.10170	23.0
111.08088	1.4
111.11688	2.0
116.16041	0.8
117.06991	2.9
119.08596	12.6
121.10151	17.1
123.08083	4.4
123.11722	16.4
125.00002	2.5
125.09614	0.9
129.06940	0.8
131.08563	6.8
133.10147	10.1
135.08073	7.1
135.11703	11.4
137.09613	1.2
137.13264	10.5
143.08565	3.5
145.10130	7.2
147.07991	0.9
147.11717	7.6
149.09648	1.2
149.13277	13.1
151.07541	1.4
151.09981	0.8
151.11169	1.0
151.14787	1.7
157.10101	2.3
159.08078	1.1
159.11699	6.1
161.09586	1.6
161.13292	5.9
163.11142	2.6
163.14859	8.7
165.12691	0.9
169.10118	1.3
171.11674	3.3
173.09557	0.8
173.13289	8.4
175.11122	2.6
175.14835	5.8
177.12679	2.2
177.16438	4.5
179.14249	0.8
180.09512	0.7
183.11679	1.4
184.07359	9.4
185.13240	3.1
187.11101	1.6
187.14743	4.7
189.12732	3.0
189.16423	4.5
191.14275	2.5
191.17961	7.8
195.11833	0.9
197.13222	1.6
199.14716	1.6
201.12703	2.3
201.16469	4.3
203.14296	3.1
203.17938	2.8
205.15961	1.8
205.19539	5.7
211.14876	0.8
213.16328	1.9
215.14297	0.9
215.17876	2.5
217.12212	1.2
217.15826	1.4
217.19405	2.0
219.13823	5.6
219.17358	1.7
219.21010	1.3
227.17986	1.9
229.15808	0.9
231.21042	0.9
233.15369	0.9
233.18840	1.0
235.16687	0.9
241.19431	2.1
243.17363	1.1
243.21004	0.9
245.18916	1.0
245.22554	1.3
247.20549	1.0
253.19263	0.7
255.17430	1.1
255.21152	1.1
257.10501	0.8
257.22583	1.2
259.24142	1.9
269.19031	1.4
269.22565	1.0
271.20450	0.8
273.22510	0.8
275.23483	0.9
281.22498	0.8
287.19977	1.4
289.21487	1.0
301.21594	1.0
313.25269	0.9
383.33194	7.6
395.33099	1.4
407.32639	8.2
407.37497	1.4
425.33902	100.0
426.34180	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3416
Annotation	alpha-Tocotrienol
Peak:m/z	Relative Intensity
53.03931	1.8
55.05511	12.3
57.07061	2.4
63.26526	1.1
65.03942	1.1
67.05504	14.4
69.03426	0.9
69.07066	13.2
71.25330	1.4
79.05071	1.5
79.05495	17.2
81.03410	1.8
81.07056	31.9
83.08623	9.0
84.52099	0.8
91.05476	16.2
93.07047	33.5
95.04971	2.1
95.08610	52.0
97.02888	2.0
97.06529	3.4
97.10148	3.6
103.05437	1.6
105.07034	41.7
107.08597	60.6
109.02895	1.7
109.06538	2.1
109.10159	31.6
111.08086	5.9
114.85365	0.9
117.07009	2.8
119.08581	60.1
121.10144	100.0
122.10471	1.0
123.08058	2.3
123.11713	14.7
127.03947	1.0
129.06999	0.9
131.08551	6.9
133.10132	60.7
134.10468	1.0
135.08092	1.0
135.11693	29.3
135.65469	0.8
137.13255	3.3
139.07545	1.8
139.11180	1.0
143.08574	2.2
145.10126	11.4
147.11690	41.1
149.09641	1.1
149.13266	16.3
151.07408	1.0
151.14799	1.5
153.09085	3.5
157.10103	3.8
159.11681	13.3
160.12497	0.9
161.13257	37.4
161.90170	0.8
162.13651	0.8
163.11142	1.0
163.14822	7.9
165.09117	2.4
167.10672	5.3
171.11682	2.5
173.13274	14.5
174.14040	1.3
175.14827	49.1
176.15265	1.1
177.07568	0.8
177.16386	51.9
178.16780	1.4
179.10690	3.0
181.12276	1.2
185.13272	2.5
187.14824	12.2
189.16383	55.2
190.16821	1.2
191.17975	6.9
193.12221	1.4
193.22166	0.9
195.13739	0.8
199.14857	2.6
201.16397	5.6
203.17964	50.9
204.18338	0.9
205.19505	1.7
207.13773	2.2
209.15422	1.5
213.16364	1.9
215.17992	4.4
217.15819	2.2
217.19516	4.4
221.15364	12.1
227.18048	1.0
229.19644	1.6
231.17499	2.8
231.20984	1.1
233.15419	3.0
235.16974	6.8
241.19371	1.3
243.21053	4.6
245.22536	1.6
247.16905	3.1
249.18504	7.2
257.19757	0.8
257.22644	3.3
261.18454	1.3
271.24252	1.9
301.21558	1.0
315.23111	1.0
317.24841	2.0
329.24979	1.0
345.22531	1.2
345.64981	0.9
351.30420	2.7
355.26324	5.3
363.23575	1.6
369.28104	1.6
381.13156	1.4
383.29211	0.8
407.33282	1.5
416.70416	0.9
425.34143	80.3
426.34399	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	425.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.8
55.05514	12.5
57.07067	3.1
59.04994	2.3
63.41578	1.8
65.03922	2.8
67.05510	29.9
69.07074	18.5
69.83294	3.8
69.83707	4.7
77.03932	1.8
79.05069	2.8
79.05495	34.3
81.06597	2.5
81.07060	47.3
83.05000	2.5
83.08613	7.1
86.09710	4.6
91.05482	22.4
93.07047	47.7
95.04997	9.3
95.08613	94.5
96.96092	1.8
97.06500	4.5
97.10155	4.1
105.07035	58.1
106.07336	2.9
107.08600	100.0
108.08909	2.7
109.06509	4.0
109.10167	38.8
117.07030	4.5
119.08585	53.8
121.06506	9.5
121.10151	47.6
121.31306	1.6
122.10506	2.3
123.08082	4.0
123.11720	11.3
125.06013	1.8
129.07027	4.2
131.08574	36.8
133.06531	1.9
133.10138	43.3
135.11700	21.6
137.09637	3.7
137.13304	2.7
143.08582	9.0
145.10124	27.7
147.08084	2.0
147.11699	27.6
147.32005	1.5
149.09601	2.8
149.13264	31.8
151.67168	1.5
155.08559	4.8
156.09346	2.0
157.10129	13.4
158.10822	4.1
159.08067	2.6
159.11722	18.1
161.09625	5.1
161.13283	15.6
163.11130	10.3
163.14824	39.2
163.16125	2.5
169.10147	3.5
171.11749	6.5
173.13281	49.8
174.13824	2.4
175.11221	7.6
175.14832	31.4
177.12781	2.1
177.16389	17.0
180.33374	1.7
184.07372	3.2
185.13240	10.4
187.14815	16.6
189.12740	4.0
189.16437	18.5
191.14316	54.0
191.17961	7.1
193.12210	8.1
193.15865	3.8
195.11761	3.1
197.13329	2.9
199.14799	7.5
201.12733	4.8
201.16505	7.9
203.14363	18.0
203.17969	67.9
204.18312	3.0
205.19553	2.5
209.13266	2.5
211.14828	3.1
213.16406	6.3
215.17976	4.8
217.15962	3.5
217.19464	3.3
221.15382	36.4
225.16359	1.7
227.18027	1.9
231.17476	2.7
231.21100	4.6
233.15417	2.2
235.16997	2.0
237.16414	1.8
239.18030	1.8
243.17459	3.9
247.16942	5.4
251.17979	2.1
253.19447	2.4
253.41386	1.8
265.19467	3.9
281.22589	5.1
283.17068	3.4
283.20532	2.3
283.24271	4.3
284.17416	4.4
293.22653	6.9
299.23782	2.5
301.25314	1.6
311.23679	22.7
329.24792	6.2
340.23544	4.2
365.28421	2.9
389.31979	3.9
395.33105	3.7
407.33090	7.6
425.34146	54.7
426.34094	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3415
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
55.05509	11.2
57.07064	4.5
59.04998	1.4
67.05509	13.3
67.83321	1.1
69.07079	13.3
70.62138	2.4
70.62503	2.3
71.04989	1.4
71.08635	1.2
79.05489	4.7
81.07059	29.3
83.08614	4.6
85.06537	2.9
87.09160	1.2
90.32753	1.1
91.05482	8.0
93.07053	15.3
94.99416	1.3
95.08611	38.7
97.06511	1.9
97.10178	26.1
99.04408	1.4
105.07031	11.1
107.08604	21.1
109.06506	2.6
109.10164	22.3
109.81487	1.2
111.08091	1.9
117.06994	2.5
119.08590	14.5
121.06519	2.2
121.10162	15.1
123.08055	4.4
123.11700	10.9
125.09648	7.2
129.07013	1.4
131.08571	11.2
133.10129	12.3
135.08081	1.8
135.11703	13.3
137.13261	10.9
141.50684	1.2
143.08549	3.5
144.09319	1.3
145.10118	11.7
147.08041	2.2
147.11665	8.8
148.12526	1.1
149.09644	2.8
149.13264	10.3
151.11194	4.0
151.14766	2.1
155.08556	1.6
157.10126	6.1
159.11713	10.6
161.09570	2.1
161.13240	5.6
163.11151	2.8
163.14818	6.1
167.10631	1.4
169.10150	3.7
171.11679	4.7
173.13237	8.8
175.11153	2.2
175.14822	4.4
177.12720	4.0
177.16394	3.2
180.93916	1.1
183.11635	1.8
185.13312	3.2
187.14833	4.7
189.16431	2.9
191.14272	3.5
191.17964	22.5
191.30904	1.3
197.13313	3.2
199.14778	3.9
201.12694	2.4
201.16374	3.9
203.14240	2.3
203.17918	2.0
205.12097	2.1
205.15845	2.1
209.13260	2.1
211.14900	1.7
213.16331	3.7
215.14525	1.5
215.17929	2.1
217.15947	8.2
217.19499	1.4
219.13824	4.2
219.17404	2.9
221.22075	1.1
223.14812	1.6
225.16263	1.6
227.17918	1.6
229.19508	1.5
231.17343	2.0
241.19559	2.7
243.21095	2.8
245.22757	3.2
257.22440	1.3
269.19046	3.8
269.22623	3.1
271.24091	1.3
283.20621	1.9
283.23926	1.9
285.22174	2.3
301.21521	1.6
301.24930	1.5
329.24768	4.5
389.32169	1.6
397.34445	1.9
407.32993	12.0
425.34070	100.0
426.34402	3.9
432.71204	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3415
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
52.36359	1.0
53.03928	1.0
53.36548	1.0
55.05507	6.6
57.03418	1.3
57.07067	3.6
64.34487	0.9
65.92744	0.9
66.69182	1.0
67.05500	10.8
69.07067	12.1
69.47845	7.5
71.04990	1.0
71.08632	3.2
79.05508	9.3
81.07057	58.0
83.08617	4.7
85.06543	1.3
91.05482	7.0
93.07038	14.7
95.04945	1.4
95.08613	29.5
97.06544	3.1
97.10162	2.8
99.08086	13.2
105.07034	12.3
106.27629	1.0
107.08593	21.6
108.09071	1.1
109.06509	1.5
109.10168	22.2
109.10925	1.3
110.70207	1.1
111.08076	2.8
111.11730	1.1
113.09660	1.1
114.93816	1.0
119.08586	16.1
121.06503	11.1
121.10152	15.7
123.08040	1.7
123.11704	7.1
127.07548	2.9
128.45987	1.0
129.07016	1.8
131.08553	6.7
133.10139	9.8
135.08066	3.5
135.11668	9.4
137.09619	20.9
137.13286	5.3
137.30119	1.0
139.11183	1.7
139.42833	1.1
143.08553	3.0
145.10136	10.0
147.08046	3.2
147.11693	10.2
147.79308	1.2
149.09715	2.0
149.13277	19.6
151.11188	16.3
151.14798	1.7
153.12790	2.1
156.09512	1.0
157.10104	5.3
159.11694	9.0
161.09639	4.2
161.13283	9.1
163.11179	11.7
163.14824	11.4
165.12740	9.0
171.11649	5.3
173.13277	6.9
175.11226	7.6
175.14828	15.3
177.12787	8.2
177.16414	2.9
179.14362	5.2
183.11736	2.1
185.13292	4.4
187.11218	1.4
187.14838	4.2
189.12764	16.4
189.16389	7.5
191.14307	7.1
191.17946	7.3
193.19554	1.8
197.13329	2.0
199.14848	3.5
201.16420	3.4
203.14342	11.5
203.18001	1.9
205.15866	1.9
213.16386	3.5
215.14301	1.3
215.18007	3.4
217.15826	2.7
217.19618	1.2
227.17972	2.8
229.19620	2.5
231.17513	4.0
239.17844	1.6
243.17433	2.2
245.19040	1.6
253.19502	2.0
255.21104	1.3
257.19269	1.2
269.19241	1.6
271.20584	2.4
273.18393	1.2
297.25504	1.4
299.23685	2.0
301.21597	1.7
309.25662	9.8
327.26822	91.9
328.27267	3.8
389.31653	1.4
394.91379	1.2
407.33121	12.5
408.33325	1.4
425.34128	100.0
426.34283	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3415
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
53.35114	1.7
53.67122	1.4
54.08173	1.5
55.05519	9.7
57.07044	4.7
67.05502	20.7
69.06743	1.8
69.07061	20.3
70.67645	3.7
70.67985	2.3
71.08612	2.1
79.05508	11.2
81.07055	41.9
83.08604	10.5
89.06004	1.9
91.05480	8.7
92.45135	1.4
92.87141	1.7
93.06503	1.5
93.07040	25.8
95.08608	84.9
95.96146	1.7
97.06483	1.6
97.10123	5.1
105.07030	14.6
107.08591	31.3
109.06503	2.5
109.10158	44.3
110.10452	1.7
111.11675	1.7
113.25346	1.7
117.06951	1.7
119.08593	17.9
121.10148	47.2
123.11709	15.9
125.09623	1.9
131.08475	7.1
133.10127	18.0
133.29491	1.5
135.08009	3.8
135.11688	20.5
137.13226	11.9
139.11111	1.8
143.08511	2.7
145.10127	9.8
147.11707	15.6
149.09552	1.8
149.13266	15.6
151.11150	2.7
157.10124	3.7
159.11667	10.5
161.13255	8.0
163.07487	5.2
163.14818	11.5
165.08987	1.8
167.06932	6.1
171.11626	3.2
173.13309	8.1
175.14789	8.0
177.16362	11.1
179.14288	1.8
183.11604	2.0
185.13167	5.4
187.14752	5.1
189.16306	6.8
191.16272	1.9
191.17958	31.3
197.13112	2.5
199.14807	3.1
201.16307	3.6
203.17839	3.5
205.15796	3.5
205.19377	4.2
213.16325	1.8
215.14282	2.1
215.17825	5.5
217.15855	9.9
217.19368	3.6
219.13684	2.6
219.17363	1.8
219.21130	2.0
225.16327	1.8
229.19368	3.8
231.21133	2.2
233.15369	13.7
233.18864	2.1
241.19478	2.2
245.22504	2.1
255.20944	2.0
257.22552	1.9
283.20313	1.8
287.23508	2.6
301.21768	2.0
301.25122	2.1
325.28891	1.7
379.33353	2.1
389.32135	3.4
407.32663	20.1
407.37408	2.9
425.33749	100.0
426.34216	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	425.3415
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
53.03929	0.8
55.05508	4.7
57.07073	4.0
67.05181	0.8
67.05506	11.6
69.06747	1.0
69.07069	12.3
69.84692	2.1
69.85107	1.8
71.04974	1.1
71.08598	2.1
72.08160	5.1
74.09696	0.7
79.05489	5.7
81.06612	1.3
81.07059	23.2
83.04974	1.7
83.08615	4.8
85.06528	2.4
86.09724	3.9
88.11241	2.1
89.06027	0.9
90.06345	0.7
91.05477	6.5
93.07050	11.9
95.08609	33.8
95.54883	0.9
97.10160	3.8
105.07030	9.7
107.08600	14.8
109.06519	4.6
109.10155	20.0
111.08057	1.5
111.11746	0.8
117.06998	2.3
119.08576	9.7
121.09356	0.9
121.10143	14.1
123.08036	2.4
123.11705	12.9
126.03197	0.6
129.06992	1.7
131.08571	5.7
133.10143	7.2
135.08067	4.7
135.11681	11.2
137.09619	1.0
137.13252	9.9
139.31352	0.7
143.08495	2.5
145.10126	8.0
147.08052	0.9
147.11703	7.3
149.09547	1.2
149.13257	9.9
151.11200	1.0
151.14769	1.2
155.08490	0.7
157.10109	5.1
159.08102	1.1
159.11679	6.5
161.09586	1.9
161.13232	5.4
161.87662	0.7
163.11171	1.4
163.14809	7.6
168.09334	0.9
169.10074	0.9
171.11646	2.8
173.13255	5.2
175.11185	1.5
175.14806	3.8
177.09123	0.8
177.12778	1.1
177.16367	4.1
183.11636	1.8
184.07280	2.3
185.13216	2.5
187.11195	1.2
187.14859	3.5
189.12729	3.1
189.16440	3.8
191.14267	1.4
191.17970	5.3
197.13252	0.9
199.14772	1.4
201.12712	2.5
201.16431	3.5
203.14233	1.1
203.17934	3.2
205.12177	1.0
205.15912	1.8
205.19424	3.2
209.13155	0.8
213.12759	1.0
213.16319	1.6
215.14255	2.3
215.17863	2.2
217.15802	2.0
217.19318	0.8
219.13805	3.6
219.17332	1.6
219.21002	0.8
225.73790	0.7
227.17992	1.6
229.15822	1.3
229.19426	1.3
231.20917	0.9
233.15509	1.6
241.19536	0.8
243.20987	0.9
247.16922	1.0
247.20583	0.8
255.20998	0.9
259.24133	2.0
269.19028	1.3
271.20444	0.8
283.20584	1.2
286.89258	0.7
287.20001	1.2
299.23557	0.9
301.21704	0.9
379.33807	1.0
383.32938	2.5
395.33176	1.1
407.32858	7.1
421.52069	0.7
425.33963	100.0
426.34149	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3417
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
55.05500	2.1
57.07057	1.6
58.26191	0.5
67.05509	4.6
69.07077	5.7
69.55363	2.7
79.05491	3.1
81.06608	0.7
81.07059	10.4
83.04967	0.9
83.08620	2.3
83.40907	0.5
91.05487	2.6
93.07043	7.6
95.04952	0.6
95.08613	15.7
97.10153	1.5
105.07037	5.2
107.04944	0.9
107.08610	8.7
109.06505	1.0
109.10167	9.2
111.08085	0.5
111.11723	0.6
117.06997	1.5
119.08595	6.0
121.06480	1.5
121.10154	9.6
123.08086	1.0
123.11716	7.0
130.15916	0.6
131.08562	2.8
133.10118	3.5
135.08014	0.6
135.11697	7.9
137.13278	4.7
143.08536	1.2
145.10123	2.2
147.11708	3.0
149.05972	4.0
149.09610	0.8
149.13277	6.8
151.11092	0.7
151.14819	0.9
157.10106	1.2
159.11717	4.5
161.13222	2.3
163.11211	0.9
163.14818	3.2
165.12735	0.9
169.10168	1.0
171.11685	0.9
173.13228	2.3
175.14854	1.6
177.12764	2.6
177.16441	1.4
179.14346	1.1
183.02917	0.5
183.11688	0.9
185.13246	0.9
187.11139	1.3
187.14821	1.3
187.18130	0.5
189.12732	0.5
189.16394	1.2
191.14310	1.2
191.17923	3.3
193.15901	0.8
199.14711	0.8
201.12730	1.4
201.16402	0.7
203.14284	1.5
203.17970	1.2
205.12270	8.2
205.19527	9.4
213.16315	1.3
215.17886	0.9
217.15897	1.1
217.19594	1.2
219.13799	2.5
219.17491	1.1
225.16283	0.6
227.17888	0.9
229.15797	0.7
229.19460	0.9
233.18927	0.5
238.24338	0.5
255.17381	0.7
258.18884	0.5
355.26266	3.7
407.32849	4.2
408.33954	0.5
425.34052	100.0
426.34494	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	425.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	14.9
57.03437	6.4
57.07076	23.3
57.09535	4.9
59.04997	9.7
67.05501	22.5
69.03423	5.2
69.07078	30.6
71.08628	9.7
71.23824	4.3
71.41209	5.6
73.11313	4.5
73.50190	4.5
79.05488	17.1
81.07056	49.6
83.08619	19.8
90.95089	4.6
91.05491	16.0
93.07048	39.6
93.09560	5.3
95.08614	77.9
97.06539	8.6
97.10160	9.0
97.24832	5.7
105.07026	32.8
107.08595	40.5
109.10165	41.8
113.00023	33.3
115.06652	5.3
117.07020	6.8
119.08600	32.9
121.10152	31.5
123.11713	19.3
129.07010	6.3
131.08572	9.4
133.10150	22.6
135.11707	30.4
137.13206	12.9
145.10150	15.3
147.11719	24.0
149.13234	17.4
153.12764	18.9
157.10139	9.7
159.11674	11.2
161.13277	18.1
163.14827	17.2
169.02647	42.7
169.10207	6.2
171.11659	9.4
173.13283	12.2
175.14856	16.7
177.16541	7.0
187.14757	8.6
189.16374	9.6
191.17946	9.0
199.14787	7.5
201.16432	7.6
203.14383	5.7
203.18002	9.8
217.19502	5.4
222.59392	5.4
229.19475	8.0
234.87024	4.9
255.89514	5.1
269.22784	4.7
273.02847	5.3
273.21716	5.1
313.27350	21.0
335.37564	5.2
363.39542	5.0
407.32965	18.8
425.21570	10.6
425.33752	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0112
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38474	0.3
56.96544	0.9
59.08756	0.3
71.48611	0.6
72.16467	0.3
74.93159	0.6
74.98555	0.3
85.76197	0.3
98.97585	8.1
101.00883	0.5
116.98609	4.1
119.01896	0.6
122.97819	0.5
134.99638	1.1
143.01863	0.9
154.94144	0.6
155.01860	0.4
161.02956	1.0
172.86235	0.3
177.00932	0.5
180.96811	0.6
181.70966	0.3
182.99969	0.4
185.02977	0.8
190.87358	0.8
192.98912	1.0
194.97215	0.8
197.02864	0.4
198.97882	1.7
208.88475	0.9
216.98943	6.7
217.99063	0.6
219.01932	0.7
221.01878	0.4
222.97829	2.1
223.98579	0.3
226.89517	0.5
227.03973	0.3
230.94914	0.5
234.99995	11.7
236.00050	0.8
240.98914	14.2
241.99049	1.3
245.05081	2.4
248.95889	0.4
249.98737	0.6
251.23399	0.4
253.01117	1.0
258.99982	47.5
260.00018	5.6
260.99915	1.0
261.03049	1.3
262.03085	0.6
263.02887	0.7
263.06030	0.7
264.98752	3.0
266.92712	0.7
273.98792	1.8
274.01178	0.3
274.97736	1.4
275.97989	0.4
277.01022	25.5
278.01047	3.6
279.00714	0.7
282.01611	0.5
282.99982	100.0
284.00092	7.9
285.00067	1.2
291.99835	1.3
292.99014	0.5
298.97794	0.7
301.01038	87.7
302.01123	6.7
303.01086	1.0
305.07263	0.5
313.63464	0.3
316.98889	1.2
317.98804	0.5
318.98892	0.5
319.02133	3.0
324.02637	1.8
334.92422	0.6
358.99863	0.8
360.00311	0.5
364.99188	0.9
383.00189	1.5
384.00085	0.6
400.93762	0.7
401.01196	4.5
402.01202	1.9
406.99960	5.9
408.00262	0.6
418.94427	0.8
425.01138	48.1
426.01273	6.2
427.01117	0.6
443.02243	75.4
444.02344	7.9
445.02328	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.114
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42567	1.1
53.40090	1.0
58.48358	1.0
65.70020	1.1
66.57705	1.1
69.03410	1.4
71.09733	2.3
80.97321	1.3
82.99406	1.1
82.99842	4.8
86.99313	1.1
87.31547	1.0
87.88523	1.1
93.94534	1.1
101.00883	24.1
113.00871	7.0
119.01926	16.3
127.02430	6.2
131.01903	8.9
139.02415	2.5
143.01901	47.7
144.02042	1.2
145.03430	8.9
155.01906	16.0
157.03481	7.8
161.02959	36.2
167.01912	13.8
169.03545	3.2
173.02950	19.5
179.01910	6.6
185.02965	36.0
187.04494	2.6
191.03963	3.4
197.02979	14.8
203.04021	13.6
209.03107	1.2
215.03976	7.7
227.04008	8.4
233.05132	1.3
245.05078	100.0
246.05299	1.6
257.05084	6.8
263.06113	22.3
275.06067	13.8
293.07199	4.4
303.81369	1.2
305.07272	7.2
335.08185	2.3
365.09427	5.5
425.07413	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	425.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88278	0.8
56.96557	2.2
70.16621	3.4
70.99831	1.0
79.78082	0.7
82.99824	3.8
85.02966	0.7
94.99847	1.1
97.02925	1.1
98.97585	2.5
101.00206	1.0
101.00878	18.2
101.01505	1.3
109.02845	0.9
110.97552	1.0
113.00848	5.7
118.92058	0.7
119.01929	14.3
127.02435	3.7
129.00305	0.9
131.01926	6.7
134.10710	0.8
137.03008	0.8
137.05971	1.1
139.02414	2.0
140.98560	0.9
143.01900	39.6
145.03496	7.5
147.01424	1.0
155.01901	17.1
157.03465	5.2
158.99683	1.0
161.02959	40.0
162.03233	0.9
167.01926	12.0
169.03496	5.0
171.05153	1.0
173.02962	18.7
179.01897	6.3
185.02951	29.5
187.04541	2.4
191.02173	1.0
191.03983	3.3
197.02979	12.4
203.03992	12.9
209.03017	1.5
214.98648	1.0
215.04053	6.0
221.05046	1.6
227.04057	7.6
233.05157	1.1
245.05084	100.0
246.05226	2.8
257.05096	4.8
263.06152	20.8
264.06439	0.8
275.06088	12.3
293.07095	3.0
305.07172	10.5
317.07001	1.2
321.96625	0.8
335.08185	3.4
365.09424	5.3
425.11572	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25270	0.3
51.02370	0.6
53.03947	1.6
69.72068	0.8
69.72457	0.8
70.06596	0.7
74.00665	1.0
74.09045	0.3
77.03928	0.9
77.50433	0.3
79.05492	3.8
84.04510	0.7
84.08148	0.6
85.02939	0.3
87.02705	2.9
88.02218	1.2
89.04266	0.6
91.05453	0.6
91.19737	0.3
95.04975	1.2
95.08587	0.5
97.06525	0.3
97.07661	1.3
101.04259	0.4
105.04498	1.0
106.06558	100.0
107.06880	1.2
107.08596	0.3
115.05483	0.4
116.05318	2.1
120.01161	3.3
128.05316	0.6
129.07283	0.4
131.06383	1.8
134.02740	1.5
134.19798	0.3
135.88327	0.3
138.35728	0.3
143.06377	2.1
145.02863	0.8
159.08000	0.4
173.05998	0.4
173.11092	18.8
175.07539	0.5
177.05463	1.0
184.07445	0.6
185.11079	17.3
187.03966	0.4
187.07608	0.6
207.08058	0.6
220.52028	0.3
235.07645	0.5
263.06952	0.7
291.06567	0.7
296.73581	0.3
304.15063	0.8
385.24268	0.3
425.16742	7.6
426.16766	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	1.1
55.05468	6.1
56.04993	0.7
57.07032	2.1
58.06554	0.9
58.47769	0.6
65.10471	0.6
67.05505	6.1
67.99454	0.6
69.03391	0.7
69.07072	12.7
70.06549	2.0
70.64577	2.4
72.08096	2.0
75.63763	0.7
79.05492	5.6
81.03436	0.8
81.07057	10.2
82.06533	3.2
83.04945	1.1
83.08619	6.5
84.08092	2.0
84.16115	0.7
85.06521	0.7
86.06073	11.4
86.09652	1.3
91.05417	2.6
91.34689	0.8
93.07046	8.4
95.04945	1.2
95.08603	5.3
96.08133	10.8
97.06542	3.3
97.10133	1.4
98.06037	3.5
98.09636	2.4
99.04420	3.1
105.06983	2.4
107.08604	6.8
108.08035	2.8
109.06470	1.4
109.10113	2.9
110.09681	5.9
111.21283	0.8
112.07578	1.2
116.10754	4.8
119.08553	1.9
121.10142	4.8
122.09605	2.1
123.08045	1.2
123.11656	1.3
124.07581	4.4
124.11221	4.0
126.09132	0.8
131.08542	0.8
133.10072	2.0
134.09613	1.1
135.11655	0.9
136.11212	1.4
137.05974	0.8
138.09079	1.1
142.08650	12.4
147.06776	0.8
149.13228	3.9
150.09097	1.1
151.11143	2.8
152.10548	1.0
154.12199	2.1
159.11707	0.8
163.03864	1.6
166.08667	1.5
166.15909	20.2
169.12292	5.7
176.10645	1.3
176.14362	1.3
177.07787	1.1
194.15344	2.8
210.18506	2.4
212.16464	75.5
213.16690	0.9
238.18024	46.2
239.18279	1.0
256.19080	100.0
257.17218	4.4
257.19745	1.7
273.55902	0.8
289.14218	1.9
310.23669	1.7
321.68185	0.7
328.24750	0.8
344.22122	5.4
345.24533	0.7
362.23328	5.0
363.25314	4.2
406.24921	1.0
406.30136	4.4
424.30676	60.5
425.30823	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	1.7
55.05516	6.5
56.05014	0.7
57.03430	0.7
57.07042	1.9
58.06577	0.8
61.02903	0.9
67.05505	6.3
69.07075	12.0
70.06573	1.4
71.04968	1.0
71.08614	0.6
71.23259	0.7
72.08119	1.0
73.02897	1.1
74.08936	0.5
79.05504	5.9
81.03418	1.1
81.07063	10.2
82.06572	3.6
83.04961	0.7
83.08631	5.5
84.08124	2.7
85.02884	0.9
85.06522	1.0
86.06075	14.6
86.09676	1.1
91.05500	3.0
93.07055	8.5
95.04954	1.1
95.08618	5.4
96.07590	0.8
96.08141	11.9
97.02847	0.8
97.06540	3.2
97.10144	1.9
98.06055	3.4
98.09658	2.7
99.04482	4.1
105.07005	2.7
107.08605	8.1
108.08099	2.3
109.06470	2.5
109.10164	3.0
110.09703	5.3
111.08102	0.9
112.07574	0.7
114.09119	1.0
116.10715	4.9
117.06973	1.0
119.08548	2.0
121.08864	0.7
121.10128	3.7
122.09659	1.2
123.08030	0.9
123.11684	1.8
124.07589	4.7
124.11241	3.7
128.10683	0.8
131.08551	0.9
133.10135	1.8
134.09653	0.7
135.11710	1.0
136.11182	1.3
138.09129	1.9
138.12752	0.6
140.10660	0.7
142.08656	11.6
143.08545	0.8
145.10176	0.8
147.06792	1.1
147.11734	1.0
149.13298	4.1
151.11215	2.9
152.10616	0.9
154.12248	2.7
159.11755	1.4
163.03889	0.8
164.14391	0.8
166.08632	1.4
166.15929	21.9
167.12955	0.7
169.12250	6.5
176.06984	0.7
176.10580	1.0
176.14255	1.4
177.07828	1.6
184.16957	0.8
193.08601	1.7
194.15392	3.4
202.12459	0.7
203.18011	0.8
210.18454	2.9
212.16478	74.3
213.16811	0.9
238.18036	43.9
239.18358	1.0
256.19101	100.0
257.17319	5.0
259.09793	1.4
289.14319	1.5
300.19913	0.6
310.23749	1.6
315.18347	1.6
328.24719	0.6
344.22256	8.7
345.24149	1.1
362.23300	7.8
363.25211	2.9
364.24973	0.7
381.13254	0.7
406.24951	0.6
406.29932	4.9
424.30688	64.2
425.30902	1.8
428.79272	0.6
431.36682	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	7.1
56.05062	1.4
57.07085	2.7
67.05503	4.8
69.07077	8.6
69.23347	6.8
69.23772	4.9
70.06588	2.1
79.05499	7.2
81.03416	1.6
81.07068	11.5
82.06602	3.0
83.04991	1.6
83.08620	6.3
84.08148	1.2
86.06065	14.2
91.05492	3.2
93.07051	9.3
95.08604	6.6
96.08129	12.0
97.02943	1.4
97.06535	4.1
98.06065	4.0
98.09696	3.5
98.53274	1.3
99.04465	4.5
105.07029	3.0
107.08614	7.9
107.74146	1.2
109.06522	2.9
109.10167	2.1
110.09683	5.2
116.10727	5.5
119.08566	1.8
121.10159	4.1
123.11731	2.3
124.07606	5.1
124.11245	4.3
133.10152	1.3
137.06012	1.6
142.08623	13.3
143.08711	1.4
147.06810	6.3
149.13272	4.8
151.11246	3.0
152.10608	1.6
154.12288	2.6
159.11591	1.7
166.15938	23.3
169.12225	6.7
176.07101	2.5
176.10733	1.8
177.07880	3.4
177.12796	1.4
194.15440	3.5
195.18690	1.3
199.71045	1.4
202.12370	2.8
204.10303	3.0
206.11887	1.3
210.18535	3.1
212.16466	78.9
213.16882	1.5
238.18027	47.3
248.43250	1.3
256.19089	100.0
257.17480	5.5
267.07175	1.3
273.13678	1.8
300.19299	1.4
302.17578	1.3
310.23962	1.4
315.18222	2.7
344.22189	37.2
344.26178	2.7
362.23282	39.2
363.25046	3.7
388.25000	2.1
406.25174	6.5
406.30212	2.4
424.31134	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	423.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07964	0.7
55.05502	3.0
57.07077	1.6
67.05500	3.3
69.07073	6.4
69.13914	0.8
69.46035	5.2
77.26907	0.7
79.05501	2.3
81.07066	9.4
83.08620	3.3
91.05473	3.8
91.11073	0.9
93.07048	8.1
95.07993	1.1
95.08614	24.0
97.10153	1.6
105.07044	7.1
107.08605	11.2
109.06543	0.9
109.10163	14.6
117.06984	1.0
119.08579	9.3
119.09296	1.2
121.10145	14.1
123.11697	2.6
131.08540	1.9
133.10143	13.4
135.11708	19.3
137.13242	4.4
145.10155	2.4
146.10893	4.2
147.11691	10.7
149.13274	7.0
159.11661	1.3
161.09656	1.9
163.14868	1.7
171.11690	1.2
173.13260	1.5
185.13318	1.0
189.16348	5.0
189.87733	0.9
191.17958	100.0
192.18347	1.5
199.14836	2.4
217.15892	41.2
218.16176	1.4
220.37529	1.0
245.19034	1.5
287.23779	1.6
296.36044	0.9
299.23669	2.4
331.66464	0.9
353.82101	0.8
381.00385	1.1
405.35342	1.0
423.36270	28.6
424.36658	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3622
Annotation	Marsformosanone
Peak:m/z	Relative Intensity
54.53008	1.7
55.05509	8.1
57.07079	2.8
67.05508	11.1
69.07072	20.2
71.08627	1.7
71.14301	1.7
79.05498	7.5
81.07058	29.8
83.08627	9.5
83.31912	1.9
85.10146	2.2
86.78480	1.5
91.05475	5.3
93.07048	17.1
94.36941	2.0
95.08611	35.1
97.10146	8.3
105.07043	14.9
107.08588	28.5
109.10152	30.8
111.11720	3.6
117.07079	1.8
119.08598	19.4
121.06469	2.7
121.10148	25.3
123.08074	3.0
123.11708	16.9
131.08577	7.0
133.10124	20.5
135.08070	2.4
135.11708	15.9
137.13245	6.7
143.08537	4.8
144.09288	1.8
145.10133	9.7
147.11676	15.1
149.13304	13.2
157.10136	5.7
159.11684	16.3
161.09573	2.8
161.13271	14.9
163.11261	2.2
163.14821	32.2
169.10133	2.4
170.19733	1.7
171.11684	4.0
173.13287	9.5
175.11299	1.8
175.14833	6.1
177.16405	11.1
179.14317	4.1
179.17970	2.6
183.11690	4.7
185.13297	3.1
187.11258	2.0
187.14795	8.2
189.12825	1.9
189.16386	8.8
191.17989	21.6
193.15944	3.1
197.13242	6.6
199.14842	3.2
201.16397	13.5
203.17982	18.3
205.15849	2.9
205.19380	2.0
207.17474	6.2
211.14832	2.1
213.16382	4.4
215.14331	4.2
215.18005	9.7
217.15948	2.4
217.19502	14.4
219.17484	6.2
225.16342	4.2
227.17984	4.7
229.19556	7.1
231.17450	13.8
233.19008	6.0
235.20660	7.9
241.19551	2.5
243.17450	3.2
243.21082	3.6
245.19041	16.7
257.22681	2.9
258.19730	1.8
259.20624	12.2
267.21173	6.6
269.22702	2.7
271.20618	2.0
273.22098	4.5
275.23703	6.7
279.21017	2.0
281.22644	3.2
285.22159	15.8
295.24313	2.6
297.25793	2.6
299.23773	5.7
329.28708	2.1
351.30405	2.7
377.50211	2.0
405.35245	37.0
418.11099	1.8
423.36221	100.0
424.36459	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.9
57.07068	3.3
58.33080	1.2
66.48265	1.0
67.05509	6.6
69.07075	11.0
69.90280	2.2
69.90693	3.0
79.05482	4.8
81.07073	15.4
83.08622	5.3
85.09505	1.2
91.05480	5.6
93.07059	11.3
95.08615	27.4
95.09184	2.1
97.10160	2.9
98.20890	1.5
105.07043	10.4
107.08609	17.4
107.09372	1.3
107.09616	0.9
109.10165	17.9
109.10852	1.7
114.27458	1.1
119.08589	13.8
121.06544	1.0
121.10143	17.9
123.11707	4.6
129.06996	1.2
131.08627	2.7
133.10155	15.9
135.08078	13.9
135.11697	19.9
137.13266	6.6
143.08652	1.6
145.10176	4.1
146.10901	4.5
147.08025	1.4
147.11722	10.6
149.09642	2.0
149.13275	11.6
157.10184	1.7
159.11710	4.3
161.09682	2.5
161.13295	3.2
163.14824	3.5
173.13313	2.3
175.11256	1.3
187.14874	2.9
189.12764	1.1
189.16437	4.7
191.17961	100.0
192.18289	1.1
199.14841	2.9
201.16420	1.6
203.17978	1.2
205.19562	2.6
207.43501	1.2
213.16374	1.7
217.15886	51.5
219.17465	1.7
227.76547	1.1
231.17439	1.6
241.19339	1.1
242.07297	1.2
245.19075	3.0
287.23489	1.6
299.23773	1.9
306.89703	1.1
316.86090	1.2
405.35168	3.1
423.36273	50.2
424.36697	1.9
449.31143	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	8.8
57.07067	4.5
59.70295	1.1
60.35492	1.3
67.05509	9.0
69.06740	1.5
69.07075	20.5
71.08627	1.0
71.40376	2.3
76.86768	1.3
79.05492	5.3
81.07056	27.3
83.08628	11.0
91.05491	6.5
93.07047	15.7
95.08616	36.9
97.06514	2.4
97.10158	6.6
105.07031	12.6
107.08605	21.3
109.06487	1.7
109.09475	2.2
109.10163	28.4
111.11742	2.3
114.58462	1.1
117.07019	3.4
119.08578	16.1
121.10153	25.0
123.08077	3.2
123.11710	17.2
129.07045	1.6
131.08575	6.4
133.10146	15.9
135.08110	1.4
135.11693	15.3
137.13252	6.3
138.42653	1.2
139.11179	1.4
140.19019	1.3
143.08580	4.2
145.10127	12.3
147.11702	13.7
149.13275	13.9
151.11269	1.4
151.14854	1.7
155.08559	2.0
157.10115	4.8
159.07970	1.2
159.11691	12.3
161.13251	13.0
163.11052	1.4
163.14827	29.7
165.12805	1.8
169.10143	2.7
171.11699	4.9
173.13272	9.0
175.11102	1.3
175.14850	5.9
176.64586	1.4
177.16388	8.9
179.14313	4.0
179.17973	4.0
183.11725	5.5
185.13260	4.7
187.11201	2.8
187.14850	6.5
189.16382	7.0
191.17972	28.7
193.15869	2.4
197.13210	2.9
199.14856	3.1
201.16386	10.9
203.17955	17.3
205.15961	1.5
205.19565	2.8
207.17522	6.2
211.14888	2.6
212.49066	1.2
213.16458	3.5
215.14395	2.6
215.17986	7.5
217.15961	2.3
217.19522	12.6
219.17465	9.3
225.16444	3.5
227.18161	2.4
229.15933	1.9
229.19499	3.8
231.17468	10.4
231.21095	2.7
233.18991	7.1
235.20612	6.5
235.98338	1.1
239.17847	1.9
241.19550	3.8
243.17468	4.1
243.21063	4.6
245.19058	16.8
245.22852	1.8
253.19485	2.2
255.20978	2.8
257.19055	4.4
257.22681	5.6
258.19879	1.8
259.20630	12.2
261.22064	2.0
267.21173	4.8
269.22598	2.8
271.20612	4.4
271.24033	1.3
273.22180	4.2
275.23755	9.4
281.22592	1.8
285.22171	16.3
287.23676	2.3
295.24231	4.2
297.25797	2.0
299.23630	5.3
307.23846	2.0
321.25995	1.3
327.27014	1.5
335.27356	1.7
341.28412	1.3
349.29056	1.7
381.35367	1.5
395.36688	4.2
405.35144	18.3
423.36227	100.0
424.36395	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54152	1.1
53.03937	1.6
55.01869	3.0
55.05514	8.1
57.03447	2.5
57.07066	3.5
65.03956	1.4
67.05175	1.8
67.05505	18.2
67.22432	1.0
67.35829	1.0
69.03420	2.5
69.07073	11.5
70.08654	4.6
71.04972	2.0
71.08617	3.5
75.04442	1.2
79.05496	15.2
81.03424	4.2
81.07061	28.4
83.04980	4.2
83.08639	5.8
85.06525	3.0
91.05480	10.3
93.07050	21.8
93.07632	1.1
95.04985	1.9
95.08615	21.9
97.02879	5.5
97.06530	4.0
97.10217	1.3
99.04466	4.0
99.08092	1.8
103.05500	1.0
105.07031	22.5
106.07372	2.9
107.08600	14.5
109.02868	2.4
109.06524	17.1
109.10172	9.6
111.08083	4.0
117.07042	3.3
119.08581	12.1
121.06522	2.3
121.10162	10.1
123.08076	48.5
123.11726	3.3
127.03933	3.2
129.07010	1.2
131.08562	5.5
133.10136	11.3
135.08049	10.2
135.11707	7.0
137.09621	3.2
137.13274	2.4
143.08586	1.6
145.10124	7.0
147.08037	1.3
147.11752	5.3
149.09642	4.0
149.13295	4.1
151.11159	1.6
157.10162	3.5
159.11728	5.6
161.09669	1.2
161.13254	2.8
163.11264	1.2
163.14865	2.3
165.12749	1.7
167.14296	1.5
169.10147	1.1
171.11716	2.6
173.11798	1.2
173.13280	2.8
175.11136	1.2
175.14848	1.9
177.07869	1.4
177.12756	3.1
179.14323	55.5
183.11714	1.6
185.13252	1.0
187.14803	1.8
191.14252	1.4
191.17984	1.6
197.08141	1.7
205.15826	1.8
211.14885	1.1
212.16505	1.5
217.15887	1.0
221.15474	1.0
233.18979	2.1
243.21169	1.2
247.20560	1.4
258.11282	1.4
261.22147	1.9
275.20059	4.1
282.14835	2.3
303.26898	4.3
326.17542	2.8
331.22382	2.0
331.26358	41.7
332.26672	1.8
349.27457	3.4
367.24933	2.5
388.81665	1.2
391.22256	1.1
405.30722	1.7
423.31143	100.0
424.31204	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	423.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
55.01861	3.2
55.05513	7.7
57.03429	2.5
57.07080	2.3
67.05508	15.2
69.03422	2.5
69.07073	11.9
71.00801	1.4
71.04977	1.5
71.08640	2.1
73.06567	1.0
79.05070	1.3
79.05496	12.6
79.90720	0.8
81.03412	3.5
81.07065	18.1
83.04990	1.9
83.08631	4.6
85.06556	1.6
91.05478	8.1
93.07040	13.4
95.04964	1.3
95.08611	19.7
97.02898	7.4
97.06542	2.3
97.10170	1.2
99.04453	3.8
101.86596	0.8
105.07031	9.6
107.08590	11.7
109.02892	2.1
109.06516	10.0
109.10165	10.2
111.08086	2.5
117.07031	3.1
119.08572	8.0
121.06548	1.1
121.10149	8.4
122.07254	1.1
123.08070	47.7
123.11748	2.8
127.03899	5.2
131.08592	3.8
133.10124	6.9
135.08046	9.3
135.11673	4.4
137.09630	3.6
137.13239	1.5
141.87004	1.0
143.08641	1.4
145.10126	4.6
147.11661	4.4
149.09625	3.9
149.13263	3.3
151.11121	1.7
157.10117	1.8
159.11719	3.6
161.13278	2.4
163.11128	1.3
163.14865	1.2
165.12643	0.9
169.10207	1.0
173.09778	0.9
173.13280	2.3
175.14772	1.5
176.39491	0.9
177.12772	2.6
179.14320	37.4
187.14857	1.5
189.16356	1.2
193.15965	1.6
205.15933	1.7
233.19032	2.0
247.20612	1.0
259.20572	1.4
261.22177	3.2
275.20071	5.1
289.25110	1.2
293.21201	2.6
303.26813	4.7
331.26315	31.9
349.27325	9.1
367.24963	1.3
405.30377	2.5
423.31079	100.0
424.31357	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.2
55.01871	3.1
55.05510	9.6
57.03422	3.4
57.07079	2.9
65.27337	1.0
67.05510	16.9
69.03433	3.1
69.07080	10.8
69.91312	2.4
69.91711	2.2
71.04985	3.4
71.08629	2.9
73.02929	1.2
79.05499	13.1
81.03413	4.5
81.07058	23.2
83.04973	1.7
83.08634	5.4
85.06535	1.8
86.09666	1.0
91.05487	8.1
93.07048	16.5
95.04988	2.4
95.08617	19.5
97.02892	7.3
97.06550	2.6
97.10165	1.8
98.21519	1.5
99.04459	5.8
99.08093	2.2
105.07030	9.8
107.08614	12.3
109.02897	2.1
109.06541	14.7
109.10155	9.1
111.08116	3.4
117.07014	2.7
119.08591	8.4
121.10157	10.5
123.08079	53.3
123.11713	3.7
127.03915	5.5
131.08594	4.6
133.10162	7.3
135.08061	7.9
135.11729	5.6
137.09619	4.6
137.13260	1.5
145.10172	4.2
147.11671	5.8
149.09682	3.2
149.13269	3.8
159.11737	4.6
161.09619	1.1
161.13277	3.5
163.11153	1.7
163.14793	1.7
173.13255	2.0
175.14888	2.2
177.07800	1.3
177.12814	4.2
179.14328	36.7
187.14818	1.7
193.15730	1.1
199.14917	1.2
205.15878	1.5
233.19084	1.7
247.20323	1.2
261.22150	4.2
263.20081	1.8
275.20108	3.8
289.25406	1.3
293.21097	3.1
303.26868	3.9
313.25430	1.3
331.26349	37.1
332.26913	1.4
349.27411	8.0
367.24850	3.1
370.26712	1.1
383.64407	1.5
405.08328	1.3
405.30179	1.7
423.31125	100.0
424.31335	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	423.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59220	2.7
51.04630	3.7
53.03938	11.8
53.37679	3.5
55.01863	10.3
55.05515	21.1
57.03423	8.6
57.07066	12.0
65.03938	3.3
67.05508	91.0
69.03444	15.4
69.07079	30.5
70.25096	10.0
70.25446	5.9
71.04986	14.5
71.08647	8.0
73.02926	6.1
73.23955	3.2
79.05493	81.7
80.53498	3.2
81.03423	19.1
81.06596	5.6
81.07060	96.4
83.04987	8.0
83.08598	10.4
85.02899	6.9
85.06525	10.8
85.10172	7.4
87.53954	3.2
89.06024	30.6
91.05478	48.5
93.07048	99.8
95.04971	11.3
95.08608	68.6
96.97406	3.0
97.02299	6.1
97.02900	100.0
97.06516	9.9
97.10154	5.0
99.04463	50.6
105.07040	43.2
107.05014	4.4
107.08604	50.4
109.02868	14.5
109.06515	10.8
109.10167	38.5
111.08080	5.4
116.43918	3.2
117.07038	17.8
117.39627	3.3
119.08584	40.6
120.58318	3.0
121.06500	3.7
121.10149	53.3
123.08060	18.6
123.11710	16.0
125.09579	3.4
127.03928	30.8
128.06282	3.9
129.06960	6.6
131.08585	27.3
133.08594	8.5
133.10132	26.8
135.08041	7.2
135.11687	30.6
137.13248	5.1
141.06995	4.1
143.08556	9.1
145.04956	11.1
145.10132	19.8
147.08046	4.1
147.11713	18.1
149.13245	14.9
151.11212	4.5
155.08575	4.5
157.10077	8.1
159.11703	17.1
161.13257	14.6
163.14764	5.2
169.10165	6.7
171.11717	4.7
173.09573	3.8
173.13309	12.5
175.14842	8.6
179.08543	3.7
179.14284	16.2
183.11725	5.4
184.07312	4.3
185.13298	7.7
187.14815	7.0
189.12859	4.0
191.18034	4.8
197.13297	4.0
203.14250	3.8
206.50691	3.9
221.15292	3.9
243.21097	10.7
251.78708	4.2
259.20587	5.1
261.22113	28.6
282.14792	5.8
326.17548	5.3
331.26389	10.0
338.80392	3.6
381.27914	5.8
405.27026	5.9
423.32144	24.9
424.35992	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24230	1.7
53.03945	4.4
55.01877	3.3
55.05514	19.0
57.03428	6.5
57.07065	5.5
59.05002	2.8
65.03929	3.4
67.05508	51.9
69.03425	9.3
69.07069	20.2
71.04983	5.8
71.08628	3.7
73.02911	2.1
77.03954	1.9
79.05080	2.9
79.05501	44.5
81.03420	9.9
81.06591	3.5
81.07057	53.2
83.04980	3.9
83.08619	8.8
85.02885	3.2
85.06544	4.2
86.09711	3.7
91.05485	30.0
93.06497	3.3
93.07051	47.6
95.04984	5.5
95.08003	2.1
95.08609	40.8
96.36566	1.8
97.02898	32.2
97.06548	5.2
97.10194	3.6
99.04470	11.3
99.08085	2.5
105.07034	23.6
107.08602	36.3
109.02888	5.9
109.06535	15.8
109.10162	21.3
111.08089	2.7
115.05437	2.1
117.07034	7.9
119.08582	22.3
121.06527	2.8
121.10142	26.0
122.07278	2.2
123.08068	44.8
123.11729	8.3
127.03920	18.7
129.07034	4.9
131.08566	15.3
133.10104	18.8
135.08047	9.7
135.11685	17.4
137.09663	4.0
137.13243	3.2
143.08542	5.3
145.10126	16.2
147.11717	13.7
149.09610	2.9
149.13203	9.0
151.11177	2.7
155.08632	2.2
157.10150	5.6
159.11678	10.5
161.13277	9.4
161.66397	1.8
163.14825	5.1
169.10136	3.3
171.11635	3.1
173.13271	6.0
175.14825	3.8
177.07916	2.3
177.12837	2.2
179.14307	59.6
184.07394	11.0
185.13278	2.7
187.11400	1.9
187.14865	4.2
191.14351	2.5
191.17900	4.5
193.15939	3.6
199.14957	2.1
205.15895	4.9
211.14841	2.1
243.21109	3.8
258.31946	1.8
259.20633	3.0
261.22198	18.5
273.22171	1.9
275.20090	3.6
303.26849	2.8
329.24966	2.0
331.26306	33.4
334.31076	2.1
339.23157	2.2
349.16602	3.1
349.27338	6.6
423.31137	100.0
424.31665	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	11.4
55.01878	10.5
55.05278	2.2
55.05516	32.4
57.01680	1.9
57.03446	11.5
57.07084	4.7
59.41270	2.1
65.03916	6.4
67.05509	98.4
69.03099	2.5
69.03436	39.9
69.06737	2.4
69.07072	33.2
71.01343	5.0
71.04995	11.2
73.02891	4.3
79.05498	82.9
79.74885	2.0
81.03004	3.4
81.03427	48.3
81.07060	99.6
82.07380	2.7
83.04982	16.1
83.08630	15.4
85.02911	20.2
85.06527	5.2
87.04456	2.3
91.04914	3.0
91.05487	76.3
93.07047	100.0
95.04977	19.0
95.08609	88.1
97.02879	11.3
97.06543	10.4
97.10155	6.5
99.04447	12.2
99.08090	4.1
99.60991	2.1
103.03925	4.4
103.05466	3.0
105.04492	3.6
105.07040	76.4
107.04945	6.4
107.07879	4.0
107.08595	56.5
109.02865	6.7
109.06506	13.6
109.10165	34.4
111.04437	8.3
111.08076	7.3
111.11734	2.7
115.05393	2.7
117.07022	30.6
119.08598	53.7
121.06494	9.4
121.10149	53.0
123.04433	4.7
123.08080	7.0
123.11707	15.2
125.09609	4.6
127.03928	6.0
128.06195	5.8
129.05476	6.4
129.07019	20.8
131.08571	42.1
133.06480	6.1
133.10138	38.7
135.08047	9.2
135.11694	35.0
137.05952	3.0
137.09598	4.9
137.13251	5.1
139.11148	2.3
141.06999	7.0
142.07782	5.8
143.08562	16.0
144.09270	2.4
145.06496	4.0
145.10124	39.1
147.08095	5.4
147.11696	36.8
149.09631	5.9
149.13249	21.2
151.07532	4.8
151.11118	4.2
153.06995	2.7
153.09187	3.1
153.12741	3.7
155.08543	9.2
155.10631	2.7
156.09344	3.8
157.10141	21.4
159.08055	5.8
159.11691	27.9
160.08720	2.4
161.09659	4.4
161.13254	18.9
163.11154	3.9
163.14803	6.4
165.09027	2.6
165.12708	3.6
167.08571	4.6
168.09425	2.8
169.10121	10.2
171.11707	15.0
173.09605	4.5
173.13264	22.0
175.11134	5.4
175.14813	10.0
177.12709	5.0
177.16368	2.5
179.08589	2.5
179.14268	8.0
179.84079	2.0
181.10126	4.3
182.10898	2.6
183.11696	8.8
185.09633	3.5
185.13255	9.7
187.11108	5.3
187.14781	10.9
189.12752	4.6
189.16316	3.2
191.18022	3.0
195.11748	3.3
197.13245	5.8
199.14804	9.9
201.12738	3.6
201.16364	5.8
205.12233	2.6
205.15964	2.2
207.13750	2.9
209.13304	3.2
213.12723	3.0
215.14302	3.8
217.15808	3.9
221.13313	2.4
221.15440	2.5
223.14993	2.9
235.17004	2.8
241.19501	8.2
243.21152	6.9
249.14842	5.6
259.20547	18.9
261.22083	31.5
271.20490	3.9
273.22070	7.6
275.23730	5.0
277.21603	6.1
279.23270	3.8
287.19986	2.6
289.21625	6.0
291.23291	5.6
298.36676	2.5
301.21667	7.0
303.23154	22.1
313.21548	4.1
315.23114	7.0
319.22418	3.9
325.21643	3.3
327.23135	5.8
331.22693	4.7
331.26236	3.1
341.24774	5.0
345.24060	4.8
351.23111	8.2
369.24280	24.7
387.25327	24.7
405.26389	26.2
415.97192	2.7
423.27124	18.9
423.32242	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	16.8
55.01866	9.3
55.05515	31.9
56.29764	4.2
56.38931	4.5
57.03433	10.0
57.07067	8.2
59.05000	4.6
63.33241	4.1
65.03922	8.9
67.05508	100.0
69.03139	3.9
69.03433	41.3
69.07076	31.1
69.54724	29.2
71.05001	6.2
71.08671	4.0
73.02915	7.0
79.05498	79.8
81.03424	48.0
81.07063	95.6
83.04967	11.3
83.08598	18.9
85.02888	16.8
85.06525	10.5
86.09686	5.6
91.05485	74.6
93.06493	7.5
93.07050	97.7
95.04966	19.6
95.08613	79.1
97.02874	12.2
97.06517	6.6
97.10167	13.5
99.04469	14.7
103.05469	4.2
105.07027	67.0
105.13245	4.5
107.04930	11.0
107.08596	56.4
109.02888	4.7
109.06493	8.3
109.10161	37.2
111.04417	13.5
111.08096	8.5
117.07014	24.1
119.08584	57.3
121.06524	10.3
121.10171	41.6
123.04397	6.1
123.08062	10.0
123.11678	9.6
125.09631	5.1
127.03865	5.7
128.57744	4.1
129.05463	11.6
129.06984	16.1
131.08566	51.3
133.06535	6.6
133.10136	34.6
135.08014	8.6
135.11694	30.2
137.09601	4.8
137.13263	4.5
139.11188	6.9
143.08580	13.3
145.10147	33.2
147.08057	8.2
147.11681	33.1
149.09625	9.0
149.13243	15.9
151.11160	6.5
157.10098	18.5
159.11719	30.9
161.13260	15.2
163.14830	8.3
169.10188	6.5
171.07928	4.5
171.11720	10.2
173.11838	6.0
173.13191	23.3
175.07582	5.0
175.14819	10.2
179.14297	4.1
183.11632	8.6
184.07349	8.9
185.13225	11.0
187.14792	9.8
191.14256	5.9
191.17937	10.3
197.13278	10.0
199.14725	6.4
201.16330	6.8
209.20027	4.3
217.15881	9.4
259.20624	17.5
261.22250	27.7
273.22534	4.5
277.21771	12.6
289.21490	5.4
301.21609	5.8
303.23099	12.5
341.24298	4.9
345.24127	4.9
351.22995	9.8
369.24121	24.6
387.25418	23.8
405.26459	30.7
412.43259	4.8
423.27237	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	423.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.9
60.08156	1.7
70.17896	3.1
70.18288	2.1
73.06543	5.2
74.87648	1.2
81.03410	1.8
85.02896	2.0
90.09200	100.0
95.65738	1.1
97.02905	2.3
98.20819	1.5
102.03770	3.1
103.08687	3.5
122.31905	1.2
127.03898	1.9
131.06398	1.6
145.04933	1.3
149.07414	4.7
163.03902	2.9
174.78395	1.2
175.14438	62.5
200.92996	1.1
293.11633	8.4
405.16519	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	423.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.6
55.05501	1.6
60.04512	1.1
60.08169	3.3
61.04043	1.5
69.03428	1.4
70.64365	1.5
72.08160	0.9
73.06551	5.7
81.03419	1.6
85.02909	2.1
87.00843	0.8
90.09192	100.0
91.09481	0.6
97.02905	1.1
103.08706	3.3
108.04459	0.7
109.02874	1.3
116.07065	0.6
126.05497	0.9
127.03924	0.8
127.29510	0.7
150.30501	0.5
154.32750	0.5
159.02908	0.7
175.14415	56.9
176.14786	0.7
242.89217	0.5
338.14413	6.0
369.40115	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.3
55.01884	1.9
55.05504	4.6
57.03436	1.8
61.02919	1.9
67.05497	3.2
68.99795	2.9
69.03436	14.8
69.07061	10.0
69.19901	10.4
69.20303	2.5
70.87176	1.3
71.01350	1.2
73.02911	4.0
79.05492	5.4
81.03411	3.8
81.07066	7.3
83.04974	2.0
83.08629	2.1
85.02911	11.6
85.06529	1.8
87.00832	9.2
87.04472	2.4
89.06045	6.9
91.05482	12.3
93.07054	6.0
95.08617	10.9
97.02903	11.8
98.21484	2.6
99.04456	3.3
102.06791	1.4
103.03934	2.1
105.01846	3.4
105.07034	18.1
107.08601	14.9
109.02876	3.8
109.06567	2.8
109.10165	6.5
115.03911	3.8
117.07021	3.4
119.08585	56.2
121.06510	2.0
121.10139	20.0
121.77480	1.3
123.08066	2.1
127.03912	8.7
129.07014	1.9
131.08560	9.1
133.06432	1.6
133.08583	4.7
133.10136	58.3
134.10912	4.1
135.11690	2.8
137.06058	1.4
139.36533	1.4
142.07680	1.7
143.08563	3.3
145.10132	13.0
147.08060	2.2
147.11711	18.1
149.13354	2.0
157.10156	4.1
158.10875	2.2
159.02925	3.4
159.11676	4.7
161.09671	2.4
161.13232	6.9
169.10103	1.9
171.11707	3.5
173.13281	19.1
175.14828	100.0
176.15227	1.5
177.11182	2.1
177.16377	12.5
185.09735	1.6
185.13301	1.9
187.14806	8.6
191.14278	1.7
199.14807	3.4
201.03999	3.4
201.16376	2.0
203.14314	2.6
205.15886	9.1
209.13217	1.6
211.14851	2.3
213.16414	2.0
215.14314	2.8
217.15947	4.6
255.17615	1.5
259.17059	1.6
265.15805	2.8
276.51593	1.6
283.16998	7.4
301.18082	5.3
319.18915	3.1
344.68582	1.4
387.18045	2.5
405.19070	7.4
423.20279	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	423.0901
Annotation	CHEBI:82808
Peak:m/z	Relative Intensity
53.45626	3.4
54.84145	3.8
70.30737	12.2
83.22668	3.4
94.92998	7.8
108.33057	3.7
112.89599	3.7
113.42742	3.7
126.58089	4.0
129.52463	3.0
158.51248	4.0
212.85187	6.5
235.06555	4.7
248.89709	4.3
250.89491	6.1
365.10754	7.1
423.03717	7.1
423.08850	100.0
424.09448	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	423.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13189	2.0
55.01860	2.6
55.05506	4.4
60.04517	1.8
60.08158	4.7
61.01147	9.6
65.15749	1.6
69.03416	1.9
70.02967	1.8
71.00526	3.6
72.04524	11.8
72.08161	2.9
73.02885	2.3
73.06541	6.3
78.03793	14.3
81.03383	1.9
85.02910	11.7
86.06069	2.7
86.09696	2.8
88.02221	5.3
90.09202	100.0
95.04990	2.9
97.06578	2.1
98.02399	2.0
98.32066	1.8
99.04462	6.2
99.05587	4.0
102.03771	23.9
103.02155	2.8
103.03945	15.6
103.08707	3.5
107.24680	2.1
107.67549	1.8
109.02863	7.3
114.03768	2.8
120.04812	5.8
120.08098	2.2
124.07616	2.5
126.05534	18.6
127.03941	8.7
131.06401	10.7
132.04803	13.2
142.08638	4.2
149.07442	55.1
154.08681	3.3
159.05840	2.9
163.03883	4.4
175.05339	5.7
175.14432	62.4
180.06581	14.8
184.09813	3.0
198.07574	4.0
216.08693	1.9
231.11574	2.8
240.81021	1.8
261.12622	2.6
275.10550	2.8
293.11670	88.2
317.75150	1.9
338.14401	6.9
387.15402	2.4
405.16953	30.0
423.16483	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	421.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61127	0.2
53.03927	0.3
55.05513	1.2
57.07059	0.9
63.22466	0.2
67.05513	2.7
69.07078	2.9
69.28483	1.3
69.28889	0.5
71.08616	0.4
79.05484	0.8
81.06599	0.3
81.07064	5.9
83.04961	0.3
83.08617	1.3
89.06008	0.4
91.05469	0.3
93.07054	1.2
95.08614	7.6
105.07035	0.4
106.81438	0.2
107.08626	1.7
109.10160	5.6
119.08559	0.6
121.10122	1.2
123.11707	2.8
133.10136	0.4
135.11678	0.8
137.13231	1.5
140.19510	0.3
143.08524	0.4
145.06505	0.3
145.10074	0.4
147.04459	1.2
147.11728	0.3
149.13269	0.7
151.14963	0.3
155.04938	0.6
155.08606	0.3
157.06505	2.7
159.11737	0.3
169.06480	0.6
169.10103	0.3
171.08038	0.6
173.09555	0.3
183.08110	0.9
183.11700	2.1
185.09625	0.4
187.11150	0.5
195.08243	0.3
195.11664	0.4
197.09599	0.7
197.13306	0.5
199.07547	0.4
201.09091	0.5
201.12730	1.9
209.09795	0.3
209.13286	0.5
210.10390	0.4
211.11159	0.4
213.12773	0.3
215.14339	1.0
225.12781	2.7
227.10690	0.8
227.14333	2.1
228.11551	0.5
229.12143	0.3
237.12724	0.6
239.14294	2.1
241.12299	2.6
241.15932	0.8
242.13034	0.5
243.13809	6.2
243.17584	0.6
247.14856	0.5
251.14331	2.0
253.15808	1.8
255.13831	0.9
257.15466	0.3
265.15906	1.7
267.17413	0.7
269.15375	0.6
271.16943	0.3
279.17471	0.3
293.18771	0.4
305.18930	0.4
319.20749	0.3
329.22571	0.3
333.22119	0.3
351.23282	2.5
360.34125	0.2
403.29688	0.6
421.31006	100.0
422.31421	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	422.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	9.0
55.01871	9.2
57.03439	4.8
61.02925	8.0
68.99782	2.0
69.03431	34.5
70.94057	4.5
71.05009	4.3
73.02919	12.3
80.05859	1.6
81.03433	27.8
85.02914	100.0
87.00833	44.4
88.34727	1.7
91.03955	2.6
91.05513	2.0
97.02898	58.9
97.06560	2.1
99.04469	14.9
105.01877	53.0
108.04475	7.1
108.75471	1.8
109.02894	33.9
115.03931	2.1
116.64526	1.6
117.01879	5.7
121.88323	1.6
126.05552	2.8
127.03928	71.7
145.04959	38.0
147.02861	2.4
159.02893	19.4
208.97385	1.7
213.03807	3.3
214.32845	1.8
222.94571	1.8
226.00137	2.0
230.06613	3.9
231.05067	12.7
313.68130	1.8
327.23392	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60150	1.1
57.07071	2.6
67.05498	4.6
67.18564	1.1
69.03423	4.2
69.07071	1.4
70.17316	4.6
76.93863	1.2
79.05509	8.1
81.03447	1.7
81.07061	100.0
85.02903	7.6
87.00826	3.3
91.05508	1.5
93.07053	1.2
95.08609	19.2
97.02898	5.1
97.06539	1.3
105.01872	6.6
109.02901	1.6
109.10161	1.5
117.89037	1.1
119.21101	1.3
127.03922	7.7
129.57941	1.1
135.04437	1.0
137.05968	1.5
137.13264	21.0
143.42950	1.0
145.04965	6.8
159.02882	1.5
171.11726	1.0
222.75436	1.3
229.81097	1.4
231.05110	2.2
344.22311	3.2
358.42273	1.2
371.46497	1.0
376.24902	2.8
420.27728	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17673	0.5
53.03953	0.9
55.05513	2.5
57.03442	0.5
65.03970	0.5
67.05512	2.8
69.03435	0.9
69.07072	7.5
70.06606	0.6
71.05009	1.2
72.08221	0.5
79.05499	7.2
81.03430	0.9
81.07062	16.7
83.08627	3.9
85.02908	3.4
91.05481	5.2
93.07051	22.4
95.04980	2.8
95.08615	16.6
97.02901	1.3
97.06533	4.2
97.64468	0.4
99.08113	0.6
105.07040	5.2
107.08604	72.1
109.06480	0.5
109.10140	3.9
119.08587	3.5
119.70234	0.5
121.10154	24.6
122.09663	1.1
123.08138	0.5
125.09696	0.5
127.03957	0.6
131.08595	1.0
133.10129	1.6
135.11708	10.5
139.11189	4.5
145.10149	1.6
147.04410	0.6
147.11668	1.6
153.96617	0.5
159.11679	1.1
161.13281	3.3
163.14833	100.0
164.04300	0.5
164.15138	1.9
176.06964	0.5
177.07860	3.7
177.12801	0.5
187.07523	0.7
187.14801	1.9
195.08078	0.5
205.14066	0.8
205.15898	10.2
223.16945	53.2
224.17265	1.1
259.09708	0.6
316.19513	0.5
358.20074	2.2
402.22470	1.1
420.24011	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	8.0
55.01862	12.5
57.03431	5.4
57.88062	3.0
61.02926	5.8
63.73327	3.8
69.03438	30.8
69.65589	21.1
70.06590	33.2
71.05006	7.9
72.08144	4.4
73.02908	11.0
74.27628	3.3
81.03425	35.4
83.01352	4.0
85.02911	100.0
85.81988	3.4
87.00832	46.4
91.05486	9.5
95.04994	3.1
97.02888	33.6
97.06551	3.0
97.93169	4.0
98.20769	6.4
99.04449	14.0
103.07548	3.6
105.01874	54.5
109.02898	28.5
117.01898	5.2
119.04946	3.4
120.16705	3.4
123.04430	14.7
127.03922	62.2
129.01849	5.7
129.06978	5.2
133.06482	3.3
136.06236	4.5
137.05992	25.4
145.04976	36.2
147.02937	6.5
147.04379	5.3
151.07530	13.5
159.02902	19.1
161.06015	19.8
163.03889	4.4
165.05496	15.0
175.07533	7.8
179.07021	35.7
189.03932	10.7
199.07596	3.6
203.07007	16.4
217.08675	4.6
221.08072	19.1
227.07031	6.6
231.04996	17.0
234.99017	3.5
245.08099	33.2
256.06464	9.7
259.36972	3.3
263.09122	38.7
269.04312	3.5
349.09262	17.3
367.10434	6.7
422.43890	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	419.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05480	3.6
71.49543	3.6
79.05508	4.0
91.05466	5.5
93.06995	5.9
103.05407	3.1
117.06988	11.8
130.78860	3.4
137.61617	3.4
145.10139	11.4
149.02287	4.3
154.21338	3.3
155.08461	6.7
169.10019	3.6
173.06000	5.4
184.29953	3.5
197.13182	5.1
216.10205	100.0
218.01457	3.4
227.26686	3.4
244.13338	25.7
253.12360	4.2
270.14893	49.6
271.03976	3.6
284.29959	4.8
298.18167	20.5
298.20969	3.7
302.17523	84.2
330.20648	62.6
374.19574	62.2
429.90753	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.2
55.05509	27.7
57.07077	31.6
62.97141	3.5
67.05507	30.8
69.07072	38.8
70.95699	7.6
71.04982	15.0
71.08617	7.3
79.05483	21.0
81.06588	6.8
81.07053	92.3
81.15166	3.4
83.04983	5.0
83.08625	22.1
83.47570	3.3
85.06528	16.6
91.05492	21.6
93.07043	53.1
95.04932	5.6
95.08613	100.0
97.06481	6.6
97.10179	11.0
105.07034	20.1
107.08594	57.7
109.06523	6.6
109.10166	62.6
111.08075	5.0
111.11710	6.3
115.02155	4.1
119.08590	26.4
121.10165	43.2
123.11714	46.5
123.72813	3.5
125.09597	4.6
131.08583	9.6
133.10141	15.7
135.11708	44.6
136.11987	3.8
137.09573	5.6
137.13269	44.0
143.08563	10.3
145.10115	10.9
147.11696	12.5
149.13281	33.4
151.14787	4.7
159.11649	14.6
161.13245	10.7
162.46677	4.2
163.14818	24.1
167.10709	3.9
167.91696	3.9
173.13188	7.5
175.14854	5.6
177.16370	12.2
181.12154	6.2
185.11716	8.4
185.13318	6.2
191.18004	9.9
195.13853	7.8
199.13304	5.4
201.16423	3.9
205.15804	4.7
205.19522	14.9
217.27846	3.6
219.21098	15.0
221.15262	4.8
250.06233	7.9
251.04626	41.5
251.06618	4.9
291.66437	4.1
307.10974	12.4
316.19846	4.3
363.16910	20.9
401.34003	11.3
419.03766	7.3
419.30139	5.4
419.35321	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	419.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.5
55.01854	0.7
55.05493	0.5
57.03428	0.6
57.07063	0.8
59.04990	0.7
61.02915	0.3
67.05485	0.6
69.03430	2.1
69.07078	0.6
70.01468	1.6
71.04982	0.5
73.02904	0.4
79.05482	0.6
81.03444	1.6
81.07051	0.4
85.02919	3.7
85.06519	0.3
87.00822	1.5
91.05503	0.5
93.07036	0.9
95.08609	3.0
97.02888	0.9
97.06539	0.5
99.04438	0.9
99.08091	0.7
105.01851	0.9
109.02882	2.1
109.10155	0.8
111.08099	0.5
113.09643	2.6
115.03966	0.3
127.03914	1.9
133.44835	0.3
135.11717	0.8
137.05995	0.4
145.04951	1.1
145.07628	2.9
147.04440	0.6
153.12767	4.6
155.14305	1.0
157.06371	0.8
159.02905	0.7
161.67799	0.3
170.07230	0.4
171.13843	0.8
172.08711	36.5
173.09064	0.6
190.09729	0.9
198.06659	2.9
200.08211	6.8
211.09825	0.8
216.07700	5.9
218.09270	0.6
231.05154	0.5
239.09314	1.4
257.10358	100.0
258.10681	2.2
401.13995	0.4
419.14383	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.134
Annotation	Natsudaidain
Peak:m/z	Relative Intensity
52.55356	0.6
53.03953	0.6
55.05522	1.2
57.07070	0.6
66.52528	0.7
66.92943	0.6
67.05511	1.4
69.07047	1.1
70.70836	1.1
70.71177	1.4
71.08621	0.8
71.63184	0.7
79.05498	1.0
79.14599	0.6
81.03402	0.6
81.07058	1.9
91.05476	2.2
93.07030	1.9
95.08604	1.8
97.06544	1.2
105.07047	1.2
107.08585	1.4
109.10194	1.0
114.73837	0.6
119.08601	1.1
121.10149	0.9
133.10168	1.0
142.07890	0.6
142.43945	0.6
145.10173	0.7
149.02377	1.6
151.07535	0.8
155.08633	0.8
157.10124	1.0
165.05501	9.8
169.04953	0.7
201.05475	0.7
219.06601	0.8
229.05049	1.5
247.05986	1.2
257.04330	1.0
272.06747	1.5
274.04822	1.9
275.05493	2.1
285.03955	2.9
297.04211	1.2
297.07489	0.8
299.05484	0.9
300.06152	3.1
303.05023	7.0
313.03549	5.7
313.06866	1.2
315.05023	1.9
315.08517	1.3
318.07468	1.1
327.04901	1.3
328.05783	14.7
328.09451	1.2
331.04480	9.8
343.08093	7.8
345.06073	2.1
346.06873	11.5
356.05255	0.9
359.03867	1.1
361.09198	22.8
371.07663	6.4
374.06461	3.9
386.09937	2.2
389.08704	72.4
390.08966	1.7
404.11053	12.8
419.13394	100.0
420.13837	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	418.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67117	4.7
53.03949	5.7
55.01868	7.6
55.05508	11.7
59.05001	36.1
65.95835	4.0
67.05495	21.3
69.07070	6.6
70.92971	5.3
70.93290	9.1
71.04985	14.3
75.04484	5.6
77.93013	4.5
79.05495	28.0
81.07052	39.3
83.40049	4.3
89.55746	5.0
91.05480	30.6
93.07047	66.2
93.36488	4.3
95.04965	83.9
95.08613	30.3
97.06523	28.3
105.01864	26.0
105.07030	60.8
107.08580	67.6
109.06514	14.9
109.10133	11.1
117.07017	8.8
119.08590	44.0
121.10152	32.5
123.08074	7.1
123.11683	5.7
125.09627	53.9
131.08583	15.6
132.10150	5.3
133.10136	52.9
135.11687	44.5
136.72546	4.8
139.11183	11.5
143.08607	6.5
145.10127	10.6
147.11728	5.7
149.13220	14.3
157.10040	6.1
159.11719	29.2
161.13225	38.8
173.13240	7.6
175.14828	13.9
177.12738	9.9
179.14310	9.0
185.13179	7.4
203.14252	26.7
219.41650	5.7
221.15379	100.0
305.32959	4.6
400.09250	6.0
417.99216	5.6
418.38824	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	419.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
60.64410	0.6
69.88824	2.3
94.92433	1.1
94.93015	14.4
112.89590	0.8
120.94508	1.0
136.94029	100.0
148.94031	30.9
166.95094	53.9
178.95111	4.3
186.43141	0.6
190.95076	1.4
192.47444	0.6
196.96153	17.1
202.89069	1.0
208.96162	2.2
220.96135	1.6
238.97273	1.9
255.65538	0.6
256.98279	10.7
268.98364	1.1
324.89536	0.7
419.03528	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	418.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
60.45419	0.9
61.02914	1.0
68.00478	1.1
69.03416	3.2
70.06582	1.0
71.48291	1.4
78.26472	0.9
81.03424	1.3
85.02912	8.6
87.04445	1.0
89.06033	75.8
97.02867	2.3
102.17857	0.9
107.07046	1.1
127.03934	1.4
133.08609	35.9
137.05968	1.9
138.47623	1.1
151.09634	4.4
155.62486	1.0
177.11292	5.4
195.12198	1.9
209.87416	0.8
224.07417	1.0
239.14896	100.0
256.06039	1.6
256.09573	2.9
374.05682	2.2
432.81439	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28963	3.2
53.03924	3.6
53.21668	3.2
55.05499	8.1
56.04949	2.9
57.07077	3.1
59.05004	19.1
60.58896	3.2
60.74179	3.7
61.55325	3.3
67.05489	14.7
69.07050	7.2
70.06599	7.4
71.04997	7.3
71.49191	4.1
75.04465	7.5
79.05487	14.7
81.04284	4.0
81.07053	27.3
84.98576	3.7
88.04050	3.1
91.05491	28.6
93.07043	35.2
94.77124	3.7
95.04970	49.4
95.08611	17.3
97.06529	18.3
105.01875	9.4
105.07032	39.1
107.08601	58.8
109.06522	6.1
109.10145	9.3
117.07045	5.5
119.08587	100.0
121.10133	19.8
125.09634	30.2
128.06258	3.7
129.06973	3.9
131.08556	8.5
132.10196	10.1
133.10133	29.6
135.11673	19.3
139.11160	7.5
145.10065	7.7
147.11720	5.5
149.13252	11.7
156.00865	3.4
159.11717	17.0
161.09616	3.7
161.13271	21.7
163.11165	5.5
166.45209	3.7
173.13257	3.1
175.14842	9.8
177.12772	9.8
179.14268	3.9
185.13287	7.7
187.02679	3.3
203.14355	20.7
203.16000	3.4
204.35463	3.4
221.15381	66.2
225.38474	3.1
418.23584	53.7
418.28793	4.2
418.38925	31.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36346	0.5
65.03940	5.3
69.18858	3.7
69.19266	1.1
71.85453	0.4
76.37542	0.4
76.70313	0.5
77.03919	0.5
81.03380	0.5
88.90656	0.4
91.05492	5.8
93.03407	18.7
97.06519	0.6
107.08578	0.5
110.03661	1.7
111.03717	0.8
111.04443	9.7
119.04950	4.7
125.05997	30.0
134.06001	0.6
134.93710	0.4
135.04366	0.7
137.05971	1.9
141.97130	0.5
149.05975	1.2
151.07544	1.4
153.05472	100.0
154.05795	1.3
162.05478	3.1
172.07587	0.5
174.09146	0.5
177.05481	0.7
177.07843	4.1
178.08572	2.6
190.06924	0.8
190.08638	15.8
190.10301	1.0
193.88490	0.4
195.06537	44.4
196.06914	0.5
224.07404	96.6
225.07712	1.9
237.08717	0.5
418.13199	32.1
419.13831	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	29.1
57.07086	18.3
59.99093	4.0
64.95065	3.4
67.05516	31.8
69.03445	5.8
69.06799	3.0
69.07086	32.6
69.88975	3.8
70.65194	3.6
71.49203	6.1
71.49544	3.7
79.05502	19.6
81.07065	53.8
81.41447	3.3
83.04995	6.2
83.08631	16.5
84.47379	3.4
84.79377	3.8
85.06540	4.8
87.88152	3.3
88.02211	9.5
91.05487	9.7
91.56836	3.4
93.07050	48.8
95.08618	100.0
97.06570	6.6
97.10166	10.9
99.04479	6.6
101.06037	18.9
105.07014	21.6
105.41792	3.2
107.08612	64.3
109.06569	4.3
109.10164	61.6
111.08083	6.9
111.11720	4.6
113.05998	5.9
113.54977	3.4
116.05339	14.9
119.08589	22.2
121.10158	49.7
123.11723	35.6
125.06024	4.2
125.09644	10.3
129.05481	3.6
131.08572	5.4
133.10147	27.1
135.11697	36.4
137.13234	17.2
139.07556	11.9
139.11176	9.7
145.10092	8.7
147.11687	26.1
149.06184	4.1
149.09673	5.0
149.13281	35.6
151.14844	6.9
159.11719	8.8
161.13225	12.2
163.14850	40.5
167.10713	14.2
172.11617	4.6
173.13260	7.1
175.14833	4.7
177.12733	3.9
177.16400	9.9
179.10605	3.9
179.17874	3.8
181.12364	4.9
185.11748	16.0
189.12798	4.7
189.16397	7.5
191.16238	5.0
191.17972	86.6
193.12375	6.2
195.13799	3.9
201.16383	3.5
203.17972	4.2
205.19510	6.8
207.13808	7.6
214.52875	3.5
217.19600	11.9
221.15417	7.9
223.16920	4.6
231.21065	4.8
235.17010	4.8
249.18480	7.1
249.94806	4.1
261.18536	8.6
275.20074	6.0
287.32922	4.4
387.07001	4.0
399.32599	57.4
417.04199	11.4
417.33490	45.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3364
Annotation	Dorstenic acid B
Peak:m/z	Relative Intensity
53.03939	1.9
55.01859	1.7
55.05509	15.5
57.07077	13.4
58.57270	1.4
59.99118	2.9
65.95490	1.4
67.05504	25.6
69.07072	30.1
71.04986	3.8
71.08634	2.6
71.49661	1.7
77.03932	2.1
79.05495	20.5
81.07057	67.6
83.08615	11.3
85.06529	3.4
88.02225	1.7
91.05482	14.9
93.07050	36.5
95.08608	100.0
97.06517	3.0
97.10165	5.7
99.08130	1.5
105.07027	25.7
106.77387	1.8
107.08595	57.2
109.06528	4.3
109.10163	41.9
111.08099	3.4
111.11740	3.4
116.05333	6.5
117.07026	2.5
119.08581	30.2
121.06522	2.0
121.10148	44.5
123.08065	3.4
123.11707	36.8
131.08566	4.7
133.10129	33.1
135.11699	33.2
137.09576	2.4
137.13261	43.0
143.08594	1.7
145.10182	7.4
147.11688	17.5
149.09608	5.0
149.13255	31.0
151.11195	1.7
151.14836	7.7
153.09105	3.4
154.12267	4.5
157.10120	4.0
159.11697	7.2
161.09595	1.8
161.13269	17.3
163.11234	4.4
163.14806	25.6
165.16463	1.9
167.10759	5.5
171.11685	3.5
172.11494	1.8
173.09515	1.7
173.13322	3.7
175.11186	4.6
175.14833	10.7
177.12694	2.0
177.16357	9.1
179.10680	3.2
181.12222	4.9
187.14851	3.2
189.12733	2.1
189.16527	2.9
191.06555	1.6
191.17979	5.0
193.12259	9.0
195.13770	3.8
201.16518	2.1
202.37460	1.6
203.14417	2.1
203.18018	4.3
205.19510	13.4
207.13901	3.1
214.69719	1.6
215.17859	2.1
217.19543	10.9
219.21135	4.9
221.15399	4.3
231.21062	6.6
235.16962	2.8
247.16930	2.6
249.18460	3.6
261.18454	3.1
263.20126	2.9
275.20074	5.1
315.23145	1.7
329.24921	2.1
399.32581	30.8
417.03833	4.4
417.33548	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2637
Annotation	Macrolactin M
Peak:m/z	Relative Intensity
51.25560	3.0
58.89278	2.7
58.89622	2.6
67.05502	20.4
68.10503	3.1
69.07058	3.4
70.63981	3.2
70.64376	9.2
79.05489	9.7
81.07069	19.3
91.05473	10.7
93.07058	9.4
95.08607	17.0
97.06550	4.7
100.89503	2.5
105.06978	3.4
107.08607	5.3
109.10155	6.3
119.04964	27.3
121.10171	20.4
123.11702	3.2
133.10118	2.9
135.11719	17.6
147.04427	100.0
149.13245	4.8
165.05521	28.9
167.36432	3.2
185.57994	2.8
253.21542	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	417.3365
Annotation	Dorstenic acid B
Peak:m/z	Relative Intensity
55.05516	16.9
57.07078	11.8
66.25231	2.2
67.05514	27.0
69.07075	28.3
69.92352	9.3
71.04981	4.9
71.08613	3.4
79.05489	16.8
81.06597	4.6
81.07063	86.3
83.08626	16.7
84.24554	2.5
85.06552	3.1
87.04486	2.2
88.02220	2.2
90.58524	1.8
91.05483	15.5
93.07044	38.6
95.08615	100.0
97.06537	6.9
97.10159	7.6
99.94236	2.4
105.07039	23.4
107.08600	48.1
109.06484	3.7
109.10163	42.3
111.11680	3.6
116.05329	3.0
116.26022	2.1
117.06985	3.8
118.13024	2.4
119.07822	2.7
119.08604	30.2
121.09356	2.6
121.10161	41.2
123.11722	35.0
129.06979	2.2
131.08559	10.4
133.10150	24.6
135.08046	3.3
135.11711	32.0
137.09605	4.1
137.13271	55.7
145.10109	8.1
147.11682	18.7
149.09621	3.7
149.13264	30.5
151.07553	2.3
151.14833	6.1
157.10094	2.5
159.11685	9.0
161.09616	4.2
161.13266	14.1
163.11156	3.7
163.14824	22.9
165.09103	2.3
165.16357	2.9
167.10692	7.3
171.11694	2.6
172.99586	2.1
173.13275	8.1
175.11183	5.1
175.14845	7.4
177.12735	1.9
177.15033	1.9
177.16388	8.5
178.30040	2.1
179.10721	2.8
181.12227	3.0
184.14455	2.1
187.14923	2.4
189.16443	4.2
191.17949	6.4
193.12262	6.3
195.13843	2.7
201.16403	3.6
203.18005	5.2
205.19504	11.3
207.13826	2.4
217.19493	7.2
219.13800	2.1
219.21072	5.1
221.15314	2.9
231.21056	7.5
233.15465	2.9
247.16782	2.6
259.16779	2.2
289.21603	2.2
383.47812	2.1
399.32538	24.7
417.04211	4.9
417.16196	16.8
417.21350	6.1
417.33627	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	417.169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	22.7
55.05516	15.7
57.07060	6.7
58.99580	7.0
62.99089	17.6
67.05513	10.3
68.05022	2.8
69.03434	3.1
69.07074	100.0
69.73650	4.3
69.74066	8.6
73.01153	2.3
76.04013	14.5
79.05522	5.2
80.05014	2.1
80.86767	2.0
81.03418	3.7
81.07048	4.3
83.08608	5.5
84.04069	2.1
84.04516	30.6
85.01120	5.0
86.99058	6.7
87.02699	25.2
91.05478	4.1
91.58012	2.0
93.07028	8.1
95.08601	6.9
96.04477	5.5
97.06530	9.6
98.20746	2.8
99.02682	5.8
101.04255	2.9
105.07044	3.0
107.08583	4.7
108.04484	3.3
109.10136	5.6
111.11736	15.0
112.02230	5.4
112.03986	29.6
113.04247	3.7
116.01680	32.7
119.04985	1.9
119.08569	3.1
121.10157	2.5
122.09702	3.1
124.03979	3.8
127.03897	2.5
128.03462	4.8
130.05014	77.3
133.10155	3.0
135.11688	5.1
136.03862	4.2
140.01654	9.8
140.03458	3.0
142.03229	8.1
143.08917	19.8
144.01146	14.9
152.03455	3.9
154.04955	4.5
158.02698	4.1
159.08275	4.2
161.09999	19.5
162.02217	41.5
169.10472	21.5
170.02768	3.8
184.00696	2.8
186.02219	14.3
188.03773	10.2
189.09082	2.4
211.07176	5.9
214.01595	3.9
218.62192	2.5
232.02956	2.5
237.05121	2.5
243.04385	9.9
252.14133	14.2
255.06212	8.2
271.03830	4.5
272.13150	39.1
287.03375	5.3
289.04922	6.0
290.14215	44.0
296.13211	12.7
311.16168	2.5
314.14209	7.1
355.16479	3.1
399.15753	10.1
417.20715	13.7
422.36627	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.8
58.49837	0.7
67.12045	0.8
68.99792	3.4
69.03423	1.0
70.37737	2.6
81.03424	1.8
95.86239	0.8
116.11551	0.7
121.02885	2.8
123.04424	1.4
129.07054	1.4
133.02908	1.0
134.88083	0.8
141.07001	2.7
147.04422	1.8
149.02335	6.2
150.03128	3.1
151.03918	0.9
153.06982	2.2
155.04958	1.2
157.06488	2.7
161.02367	1.0
163.03905	3.0
169.06531	3.9
177.01846	5.6
179.03383	4.5
179.04826	1.6
181.06480	3.7
183.04413	1.3
185.06050	2.3
191.03360	3.1
195.04469	0.8
197.06007	8.0
198.06572	0.7
199.07512	2.0
201.05586	1.1
207.04482	1.0
209.06032	2.3
211.03899	1.6
213.05472	5.8
215.03433	1.4
215.07028	1.3
216.04221	2.2
217.01402	1.3
219.02884	2.1
225.05450	9.5
226.06599	0.8
227.07080	3.2
229.05000	2.5
231.06609	1.0
235.04034	1.8
237.05461	4.1
239.03419	2.1
239.07045	1.3
241.04941	6.3
243.02890	1.2
243.06580	5.2
245.00868	1.1
253.04987	15.6
254.05368	0.9
255.02832	1.5
255.06491	7.9
257.04422	2.7
259.55533	0.9
262.86591	0.8
263.01569	1.3
263.03857	1.2
265.05023	2.8
267.02927	1.5
271.06128	3.9
273.07770	1.0
281.04468	18.9
283.05881	4.1
284.03064	1.5
285.03922	5.4
291.02798	5.3
295.02652	1.1
299.05496	6.4
300.02808	2.2
301.03458	1.8
301.06979	1.6
309.03940	12.4
311.05554	2.8
327.05017	31.5
329.06570	10.1
331.04324	1.1
337.03397	2.5
345.06058	45.3
346.06342	0.9
355.04501	7.1
373.05548	100.0
374.05740	3.0
399.03763	1.2
417.04395	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.357
Annotation	13Z,16Z,19Z,22Z,25Z-octacosapentaenoic acid
Peak:m/z	Relative Intensity
51.81220	2.0
55.05510	18.6
56.68729	2.1
57.07077	11.9
57.07311	1.8
57.44505	1.9
67.05515	24.0
69.07076	28.6
69.58250	5.8
69.58662	6.6
71.08616	2.6
71.25828	1.9
79.05503	11.6
81.07059	73.4
83.08635	16.6
85.06550	3.2
90.61739	2.0
91.05460	9.7
91.58490	2.5
91.93003	2.1
93.07045	29.0
95.08611	100.0
96.58495	2.0
97.06516	2.3
97.10175	8.9
98.21541	3.9
103.10535	1.9
105.07030	11.2
107.08603	45.3
109.10162	53.2
111.11732	2.5
116.05374	2.0
119.08587	22.9
121.09344	3.3
121.10165	40.4
123.08066	2.5
123.11716	39.3
125.13245	2.4
133.10136	12.4
135.11697	29.6
137.09616	3.9
137.13271	38.0
141.09097	3.1
145.10173	2.3
147.11674	9.2
149.09644	2.5
149.13280	24.9
151.07550	4.7
151.11206	3.2
151.14828	6.7
153.09120	2.8
159.11678	3.1
161.13249	10.5
163.14857	14.5
165.09178	1.9
167.10696	3.6
174.33977	2.4
175.14790	5.9
177.12688	4.3
177.16406	7.1
179.10654	2.3
179.14371	2.0
179.17882	2.3
181.12207	2.2
189.16434	5.6
191.17926	13.8
195.13852	5.1
203.18011	6.9
205.19563	9.4
209.15439	3.7
217.19495	3.7
221.15422	5.6
223.16911	3.6
231.21187	2.7
235.16901	13.6
249.18512	2.9
263.20294	4.1
277.21786	2.8
359.29382	2.0
397.34344	2.5
401.50809	2.4
415.35709	57.7
416.36310	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	415.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43143	1.6
55.05513	14.9
57.07085	13.3
59.04991	1.7
67.05511	27.3
68.62581	1.6
69.07073	29.6
69.31164	13.9
71.04977	1.9
71.08616	1.8
71.16423	1.5
73.72952	1.5
79.05502	11.2
81.07063	54.2
83.08620	14.1
85.06531	2.5
89.15864	1.9
90.20555	1.8
91.05477	8.3
93.07047	21.5
95.08611	100.0
97.10166	9.1
105.07025	13.6
107.08597	33.4
107.56490	1.8
109.10161	61.6
111.11723	7.0
116.05299	2.7
119.08593	21.0
121.10152	39.1
123.11710	36.7
133.10139	22.1
135.11702	21.3
137.13264	35.8
141.09149	1.7
145.10112	4.8
147.11694	16.4
149.13264	18.8
151.14822	12.6
153.60300	1.6
159.11745	2.4
161.13264	7.5
163.14812	11.6
165.16393	2.5
173.13228	4.1
175.14813	8.1
177.16370	12.4
179.17903	2.0
189.16402	3.8
191.17932	3.3
201.16330	2.1
203.17969	5.2
205.19479	3.9
217.19533	3.6
223.16963	3.9
231.21109	5.5
235.16980	2.0
237.18504	7.7
249.18552	5.5
251.20078	11.4
263.20087	21.5
265.21707	12.5
277.21671	24.9
279.23203	3.1
291.23209	7.1
300.83035	1.8
303.23337	6.3
305.24750	5.0
317.24683	3.2
319.26318	2.0
331.26154	4.4
345.27939	3.3
353.94196	1.7
359.29361	3.4
362.25729	1.4
373.30927	2.7
404.03668	1.7
415.35709	84.6
416.35907	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00495	1.2
53.03934	2.0
53.76942	1.3
55.05514	18.9
56.11195	1.4
56.30902	1.4
57.07076	8.9
57.30202	1.3
57.30508	1.7
67.05507	25.1
69.07073	29.8
69.29587	13.3
71.08628	3.0
79.05503	12.1
81.07065	59.0
83.04974	1.4
83.08632	17.3
85.06549	4.7
91.05487	7.4
92.07499	1.5
93.07050	30.1
95.08614	100.0
97.10169	7.6
99.08072	1.6
105.07026	13.3
107.08603	37.5
109.10168	42.4
110.10412	1.6
111.08099	2.2
111.11719	3.8
115.07555	1.8
116.05343	1.9
119.08596	14.7
121.10156	31.6
123.08091	4.0
123.11715	39.9
131.08644	2.3
133.10143	12.2
135.08066	2.8
135.11694	21.2
137.13271	28.1
141.09079	3.4
145.10139	1.6
147.11668	9.1
149.13260	21.0
151.07574	3.0
151.14865	4.6
153.09079	2.0
155.10678	1.7
159.11731	2.5
161.09500	1.8
161.13266	12.4
163.11162	2.1
163.14809	11.3
167.10654	4.2
173.13307	3.1
175.14886	5.0
177.16380	6.1
179.10788	1.9
179.17963	2.3
181.12306	2.3
189.16420	3.2
191.17998	11.0
203.17972	5.2
205.19489	7.3
209.15372	2.7
217.19626	5.0
221.15372	4.1
223.16928	3.1
235.16977	10.1
238.08913	1.8
249.18835	1.6
263.20111	3.6
291.23233	2.5
410.01672	1.9
415.30972	1.4
415.35699	36.9
416.36133	3.3
438.20544	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	3.1
57.07072	1.5
67.05508	3.3
68.35358	0.5
69.03430	4.9
69.07066	4.6
69.90746	2.2
71.04993	1.7
71.08656	0.5
71.78722	0.4
79.05485	2.2
81.07064	9.6
83.08618	2.7
85.06544	100.0
86.06862	0.9
91.05476	2.2
93.07046	5.0
95.08614	13.6
97.10171	1.3
98.20889	0.5
99.08109	2.0
105.07043	4.4
107.08598	7.7
109.10156	7.7
111.08083	21.0
111.11705	0.7
119.08582	6.3
121.10155	5.3
123.08095	0.5
123.11690	5.3
125.09644	1.3
131.08577	1.9
133.10138	4.5
135.11691	4.6
137.13255	4.7
139.11180	0.6
145.10146	2.1
147.11678	3.3
149.13252	4.6
151.11148	0.6
151.14835	2.1
157.10120	0.8
159.11690	2.7
161.13223	2.6
163.14828	1.7
165.12755	0.7
167.14336	0.5
171.11682	1.0
173.13277	2.0
175.14818	2.2
177.12764	1.2
177.16411	1.4
181.04997	0.6
185.13303	1.1
187.14783	2.7
189.16435	1.3
191.14374	0.8
191.17964	2.0
201.16464	1.9
203.17999	1.0
205.16054	0.8
205.19528	3.3
215.17993	1.1
217.19626	1.8
219.17513	0.9
227.17867	0.6
231.21101	1.2
241.19586	0.5
243.21059	0.5
245.18942	0.6
257.22607	0.6
259.20721	0.6
271.24155	2.6
289.25302	1.6
311.27380	0.7
397.34940	3.8
415.35968	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	415.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.9
53.39305	1.6
54.49685	1.7
55.01869	1.6
55.05515	20.4
56.42328	1.5
57.07073	10.5
59.99098	1.8
65.03927	1.9
67.05193	1.6
67.05513	19.5
69.06725	2.7
69.07068	27.7
69.37025	11.9
69.37446	2.6
71.04978	1.5
71.08629	2.2
71.77856	1.6
79.05503	16.9
81.06603	3.4
81.07060	67.4
81.07533	3.7
83.08624	18.3
85.06519	3.5
91.05447	9.3
93.07052	31.7
95.08611	100.0
97.06529	2.1
97.10194	9.2
98.20789	4.0
101.70016	1.8
105.07046	10.6
107.04955	11.8
107.07891	2.5
107.08598	39.2
109.06511	1.7
109.10163	46.7
111.11713	5.6
116.05318	6.0
119.08581	20.8
121.09339	3.0
121.10150	42.9
123.08064	7.8
123.11705	38.2
124.12090	1.9
133.10146	13.9
135.11705	26.3
137.09665	2.7
137.13261	32.6
141.09091	2.1
147.11716	8.7
149.09624	2.4
149.13261	25.3
150.25378	1.7
151.14799	5.5
153.09113	3.0
153.93025	1.6
159.11670	3.0
161.13248	7.9
163.14854	11.5
167.10683	2.2
173.13214	1.8
175.14847	8.1
177.12692	2.2
177.16353	5.7
181.12248	3.1
189.16360	3.9
191.17914	11.7
195.13817	3.8
203.17899	4.8
205.19507	4.5
207.13881	1.9
207.17737	1.8
209.15297	2.6
217.19525	3.1
221.15335	3.9
231.20882	1.8
235.16888	13.2
249.18585	3.2
257.43518	1.8
263.20065	5.0
277.21619	4.3
291.23364	2.4
319.26416	2.3
331.26324	1.8
392.42722	1.8
415.04153	5.0
415.35800	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	415.3209
Annotation	Diospyrolide
Peak:m/z	Relative Intensity
53.03957	1.0
55.01869	1.3
55.05517	8.8
57.03440	1.3
57.07083	2.1
59.05001	1.0
65.03918	1.1
65.19625	1.0
67.05510	12.7
67.89822	0.9
69.07071	12.1
71.04981	4.6
71.49374	1.2
79.05061	1.5
79.05494	13.9
81.07063	24.7
83.04989	1.3
83.08634	4.6
85.06546	1.1
87.04465	0.8
87.57136	0.8
91.05482	11.9
92.05807	0.9
93.07050	26.3
94.07336	0.9
95.04974	1.2
95.08616	37.5
97.06552	4.3
97.10181	3.2
101.06017	4.3
105.07040	25.7
107.08607	43.6
109.06517	1.0
109.10164	22.0
111.08082	1.5
111.11736	1.2
117.07029	2.3
119.07724	1.1
119.08587	28.4
121.10146	29.3
123.08067	1.6
123.11700	8.9
125.09698	1.9
129.06995	2.5
131.08565	8.3
133.10146	19.5
135.11707	23.7
137.13254	3.1
142.87561	0.9
143.08594	4.0
145.10139	15.3
147.08025	1.9
147.11700	15.9
149.13248	10.8
151.07536	1.3
151.14845	1.4
153.12787	1.0
157.10136	5.6
159.11708	15.5
161.09624	1.0
161.13254	19.5
162.13585	1.1
163.03880	1.1
163.14771	4.7
165.09174	2.2
171.11671	4.9
173.13286	10.8
175.14850	8.6
177.16322	1.6
179.10698	2.5
179.14256	2.0
181.12300	1.0
185.13284	5.6
187.07513	2.0
187.14764	6.5
189.12836	2.0
189.16362	9.0
191.14346	1.5
191.17957	50.0
193.12247	5.4
197.13338	1.0
199.14857	3.8
201.16473	5.9
203.17972	17.7
205.12279	2.0
205.19525	2.2
207.13817	9.3
209.15372	1.5
211.14844	1.0
213.16467	5.2
215.17928	4.1
217.19534	11.2
227.17853	4.9
229.19522	1.7
239.18028	1.2
241.19565	5.1
243.21135	1.7
255.21146	2.2
277.17975	1.6
295.24283	2.2
297.25806	23.8
301.21680	1.0
341.24680	1.3
355.26419	1.1
369.31607	1.5
379.30112	2.0
397.31012	9.7
415.32104	100.0
416.24188	1.5
416.32538	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	415.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.6
55.01867	6.6
56.96580	1.7
61.30722	1.5
67.05503	2.7
68.99801	1.6
69.07050	4.0
70.82866	3.2
73.02920	3.9
74.72349	1.7
79.05489	8.4
81.07043	5.4
91.05482	25.2
93.07043	5.7
95.04949	2.7
95.08599	6.9
97.02882	1.7
97.06528	4.5
98.97562	1.9
103.05457	5.8
105.07031	8.6
107.04941	14.1
107.08596	8.1
109.10144	5.7
111.08070	5.7
117.07021	2.0
119.08596	7.0
121.06532	3.3
121.10119	4.6
128.06241	2.8
129.06987	5.3
131.04913	5.2
131.08572	17.3
133.06506	24.8
133.07506	3.3
133.10112	3.5
135.11711	3.8
141.06982	6.8
142.07808	2.3
143.08531	3.0
144.05676	8.1
145.06528	2.2
145.10191	1.6
147.04427	4.8
147.08032	2.8
147.11687	3.1
149.05980	3.7
149.09583	5.0
157.01082	3.2
157.10118	2.0
159.04424	4.3
159.08057	54.0
159.11700	3.4
161.06044	2.2
161.13283	3.7
163.03941	2.3
173.05931	9.4
173.13240	3.2
175.03909	6.0
175.07549	5.9
177.05511	7.6
177.09126	17.1
187.07556	100.0
187.14780	1.8
188.08348	10.6
191.18044	1.9
203.07065	4.4
204.07790	2.1
205.08578	15.8
206.09375	6.1
219.11690	1.7
226.06201	8.5
227.06995	7.6
232.08852	2.2
233.13197	1.5
235.11113	1.9
237.05693	2.2
239.06976	16.8
240.07771	2.1
241.08531	2.3
244.91978	1.5
247.11147	3.6
248.12039	3.2
251.06993	2.4
252.08044	2.7
254.09398	28.8
255.10165	2.3
261.12604	2.0
263.07025	5.3
264.07837	12.4
265.08533	3.2
267.06558	6.7
267.10162	6.0
268.68896	1.6
275.10577	3.9
277.08514	2.5
278.09357	3.2
282.08835	6.5
285.07559	7.5
289.12354	9.4
293.11740	22.6
307.13226	7.6
311.09183	2.7
311.12793	47.8
312.12964	1.6
317.11777	8.2
329.06577	3.2
335.12805	30.8
347.09058	1.7
353.13904	12.8
361.10611	2.7
371.14871	3.1
373.15094	2.9
379.11649	6.4
391.16577	2.1
397.12848	3.9
397.30927	2.4
415.31989	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	415.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80343	2.9
53.03954	8.0
55.01875	8.3
55.05509	13.6
61.02912	4.9
65.03936	4.4
67.05509	16.7
68.99805	6.7
69.03433	47.8
69.07074	16.2
69.95215	10.3
69.95631	4.9
71.04996	20.1
79.05508	16.3
81.03424	39.7
81.07074	23.5
81.70206	3.0
83.04976	9.5
83.08634	3.9
85.02916	24.5
87.00835	12.9
91.05495	26.0
93.07041	24.1
95.04991	11.8
95.08617	29.0
97.02895	7.1
97.06521	5.0
99.04485	5.4
105.07037	50.6
107.04966	13.4
107.08630	26.7
109.06512	8.6
109.10149	18.6
111.04457	6.6
115.05411	6.6
117.07016	13.5
119.04909	5.8
119.08595	40.2
121.06511	8.0
121.10120	16.9
123.04484	6.7
123.08093	5.9
123.11734	13.5
125.05029	3.1
125.09652	3.6
128.06227	14.1
129.01860	4.3
129.07030	16.1
130.07753	7.1
131.08595	28.0
132.51930	3.0
133.06519	8.2
133.10152	27.0
135.08102	4.6
135.11732	8.3
137.06018	7.3
137.09666	5.1
141.06978	11.7
142.07759	24.0
143.08568	34.8
144.09315	5.3
145.06488	4.5
145.10155	38.5
146.07280	3.6
147.02895	3.4
147.08060	11.0
147.11676	14.5
147.48242	3.3
149.09657	6.8
151.11159	3.0
153.07071	4.4
154.07845	4.2
155.08580	27.5
156.09346	11.2
157.06558	3.4
157.10138	45.8
159.08090	8.6
159.11691	45.0
161.09634	8.0
161.13304	6.1
163.07625	4.5
163.11282	5.0
165.07037	8.6
166.07794	6.0
167.08568	18.7
168.09326	10.5
169.10133	41.1
170.10924	7.3
171.08076	16.0
171.11687	33.0
172.08871	3.4
173.09641	15.3
173.13271	13.0
175.11197	24.4
175.14813	6.2
177.12787	4.0
178.07922	3.2
179.08592	12.0
180.09348	12.2
181.10126	23.7
182.10907	8.1
183.08058	9.8
183.11716	28.3
185.09698	18.2
185.13246	14.5
186.10637	3.7
187.11165	7.5
187.14851	9.2
189.09190	6.4
189.12703	5.3
189.16287	4.5
192.09366	10.9
193.10236	16.3
193.11818	3.4
194.10968	9.6
195.08095	9.6
195.11702	21.3
196.08875	3.7
196.12498	7.2
197.09657	6.7
197.13289	25.4
199.11235	8.8
199.14819	15.0
201.12811	12.9
201.16409	26.4
205.10091	3.4
206.10927	3.6
207.11700	27.5
208.12524	3.6
209.09795	5.3
209.13283	21.7
210.10405	8.4
210.14018	5.9
211.11182	11.2
211.14830	9.7
212.11984	3.9
213.12770	13.8
213.16380	11.5
215.10672	3.8
215.14334	4.3
215.17946	5.3
217.12483	3.2
217.15842	3.9
219.11772	4.4
221.13275	12.9
223.11247	7.4
223.14836	26.9
225.12758	51.3
225.16251	20.3
226.13515	5.2
227.14305	10.8
227.17949	7.7
229.15860	7.0
231.17531	6.9
233.13342	6.2
235.14888	4.6
237.12708	4.7
237.16348	9.2
239.14285	8.8
239.17949	9.6
241.12268	4.2
241.16013	15.2
241.19708	3.4
243.13838	9.7
243.17493	6.9
251.14316	10.8
251.17961	7.5
253.15944	4.9
255.13770	4.8
255.17509	9.0
261.18408	8.3
265.19568	6.0
267.17603	5.2
269.15656	3.7
269.18997	9.2
275.17911	7.8
283.20633	7.0
285.15045	3.7
293.18994	35.4
311.20071	100.0
329.13898	7.5
329.21152	15.6
333.07767	3.4
371.22083	5.5
397.20062	11.7
415.21167	82.5
416.21396	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	415.1001
Annotation	3'-Deoxyderhamnosylmaysin
Peak:m/z	Relative Intensity
66.68254	7.4
69.09684	8.0
69.98121	7.5
71.48795	11.6
72.52856	8.6
81.64890	8.3
124.13027	8.4
130.37268	8.4
161.56851	8.0
161.66071	8.8
174.97044	9.7
175.61098	8.1
185.33760	10.0
196.12122	7.8
359.05328	8.6
386.23401	8.6
415.10028	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81721	2.6
51.61454	2.8
53.03919	2.6
56.96303	3.7
56.96572	55.3
64.02543	2.5
70.06591	5.1
71.48335	4.4
77.60472	2.8
84.96045	5.3
85.02903	3.9
86.06066	3.1
98.97611	5.2
103.60559	2.4
105.00150	4.7
110.97505	3.1
119.01689	9.8
123.01199	7.2
132.95850	2.7
135.04454	4.0
137.02779	22.5
147.04427	9.0
155.03822	9.6
157.01863	3.2
163.03920	14.0
165.02248	12.4
167.00119	2.9
175.02792	4.9
181.01767	9.3
183.03304	60.3
184.03694	3.0
199.02826	34.7
201.04353	73.8
201.06145	5.5
203.03436	25.6
209.01208	10.4
213.05508	3.4
217.03871	10.5
219.01729	3.8
219.05424	10.5
223.02895	4.0
227.02292	100.0
227.48253	3.3
237.05449	37.2
241.03755	3.0
242.99582	3.4
245.03372	89.0
250.03972	3.1
253.05170	18.3
263.04422	12.3
265.04984	24.1
267.06512	3.9
293.04514	12.4
295.05612	3.7
297.04007	38.7
311.05600	10.2
321.03915	10.8
325.07013	15.2
335.07898	5.4
337.03583	6.3
339.04938	8.5
344.97794	4.4
353.06506	3.7
365.03018	9.3
369.06076	12.6
373.04160	3.5
379.07040	34.7
383.03998	5.3
397.05609	13.0
415.12378	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.0661
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	1.2
66.10134	1.0
67.91911	0.9
69.03421	1.4
70.06593	4.0
71.48827	1.0
71.49195	1.5
79.05456	1.0
81.11575	1.0
84.04489	1.2
84.08128	6.5
86.09699	3.0
97.02930	1.2
107.01263	1.3
109.02917	1.7
116.07100	1.4
119.01308	4.5
128.70313	1.0
136.24738	1.0
141.06908	1.4
147.04393	8.8
152.06192	2.1
153.07025	2.5
163.00185	1.1
163.05484	1.3
165.07028	3.6
167.06763	1.2
169.06561	1.6
171.04520	1.1
175.03897	2.8
177.05507	1.7
181.06482	10.0
185.05907	1.1
191.04861	1.7
193.06392	1.2
197.06006	4.5
202.02689	1.8
203.03398	65.1
209.05984	5.4
210.06924	1.2
211.07640	1.8
213.05507	4.6
219.04446	1.8
221.06009	3.6
223.03984	2.0
225.05467	4.0
227.06891	1.4
237.05473	86.7
237.46465	1.1
238.06145	3.2
239.03250	1.5
239.07040	1.5
241.04991	2.0
249.05588	2.0
250.06439	1.3
251.07051	5.7
252.04237	3.7
253.04979	53.3
254.05371	1.1
263.07101	2.0
265.04959	71.6
266.05713	12.3
267.02924	3.9
267.06552	11.2
269.04486	5.6
272.23083	1.1
277.05090	3.0
279.06540	4.8
281.04733	8.9
281.07620	8.0
283.06091	2.8
291.02936	1.6
293.04437	41.5
294.04929	2.1
295.06009	13.6
297.03955	100.0
298.04282	1.8
307.05963	2.6
309.04022	6.2
311.05444	22.6
319.02448	3.7
321.03961	40.7
323.05490	4.9
325.07053	29.5
337.03412	15.4
338.72101	1.1
339.04974	23.5
341.06519	1.8
351.05002	4.0
353.06552	10.1
355.04462	1.5
365.02930	32.4
369.06061	27.0
369.10400	2.0
379.04248	2.4
383.04062	11.6
397.05606	43.9
415.06619	2.9
415.11917	2.4
415.19244	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	414.358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05236	1.1
55.05515	21.0
57.06833	1.0
57.07082	13.1
58.06593	2.0
64.09227	0.7
67.05499	4.3
69.07074	33.1
69.90233	1.7
69.90633	2.7
70.07416	0.9
71.08628	7.2
79.05502	1.8
79.82070	0.8
81.07065	8.8
82.07385	1.2
83.08160	1.4
83.08630	24.6
83.09129	1.2
83.63791	0.7
85.10184	4.8
91.05482	1.0
93.07044	3.1
95.08621	6.8
96.08938	2.1
97.10179	21.4
98.20777	1.5
102.05549	13.3
104.07112	100.0
105.06995	1.2
107.08602	2.9
108.08939	1.7
109.10160	2.7
111.08034	0.7
111.11729	9.0
118.13003	0.7
119.08622	1.5
120.08963	1.1
121.10168	3.0
122.10461	1.5
123.11736	1.5
125.13278	3.8
131.08566	0.9
133.10208	1.3
134.10513	0.8
135.11725	3.2
136.12048	1.0
137.13292	1.4
139.14864	1.3
149.13290	2.4
159.11716	0.8
163.14885	2.1
191.17984	0.8
209.19104	1.5
264.23492	0.8
275.27386	2.8
293.28433	10.0
396.34720	13.9
397.30792	1.0
414.37479	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	414.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15424	0.4
50.17047	0.4
51.68024	0.3
55.73220	0.4
56.95310	0.4
61.96603	0.3
70.06583	0.5
71.48215	0.8
72.08159	0.4
79.05497	0.6
84.08148	1.3
89.03919	1.1
90.05545	2.1
91.05489	0.5
97.63400	0.5
103.81506	0.3
105.07040	2.7
107.04963	0.5
115.05454	0.9
117.03358	0.7
117.05754	1.7
118.06463	0.6
119.04925	0.4
121.02889	0.9
123.04461	1.3
132.08102	4.9
133.06471	1.1
135.04401	1.7
137.05873	0.5
144.08121	1.0
145.06410	0.4
148.07539	0.5
148.11237	1.2
149.02304	0.5
150.03133	0.9
150.09143	1.3
151.55637	0.4
160.07593	7.3
162.05505	0.9
166.12329	0.6
172.07596	6.0
173.08368	3.3
174.09090	0.5
188.07069	45.7
189.07803	2.7
190.08667	1.0
200.07094	1.8
201.07846	2.7
202.08646	10.0
206.08118	6.7
216.06572	3.6
217.07335	8.2
218.08131	18.2
219.08615	0.4
220.09789	1.3
222.41107	0.4
227.07065	0.5
234.07687	0.6
235.08412	2.5
236.09201	6.9
241.07367	1.3
252.10197	0.6
266.11752	1.2
270.11130	1.4
276.10162	3.8
292.09732	0.6
293.10333	0.5
294.11359	1.9
297.04138	0.5
304.09735	0.9
305.10550	0.5
306.11237	0.8
308.09174	0.6
322.10751	1.1
324.12427	0.9
350.10199	5.3
352.11795	12.3
370.12897	14.3
378.09714	13.7
386.12097	0.8
396.10831	7.6
414.11829	100.0
415.12231	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	414.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24480	0.4
51.87140	0.4
55.01851	0.5
70.69017	1.2
77.37023	0.4
89.03925	0.9
91.05526	0.4
95.73374	0.4
105.07047	2.9
109.02879	0.4
115.05466	0.8
117.03416	0.5
117.05782	1.4
121.02867	0.8
123.04442	1.3
125.43024	0.4
132.08112	5.4
133.06511	0.9
135.04425	1.6
137.06032	0.7
144.08069	1.3
148.11226	0.5
149.02409	0.8
150.03151	0.7
150.09148	1.9
160.07590	7.6
161.02364	0.9
161.08119	0.5
162.05499	1.0
166.12383	0.4
172.07591	6.3
172.08981	0.4
173.08366	3.0
174.09155	0.8
188.07080	42.4
189.07805	2.6
190.08650	0.9
200.07068	2.1
201.07874	2.9
202.08647	9.3
206.08134	9.4
216.06592	2.4
217.07378	7.8
218.08145	17.2
219.08844	0.5
220.09738	1.1
233.08379	0.5
234.07635	0.8
235.08420	2.0
236.09161	7.8
236.11308	0.6
236.77318	0.4
250.25369	0.4
266.11749	1.1
276.10284	2.7
277.11124	0.5
294.11282	2.1
304.09619	0.8
305.10480	1.2
305.72366	0.4
306.11053	0.5
322.10831	1.4
350.10269	7.1
352.11819	9.7
352.16019	0.7
370.12857	9.1
370.17542	0.6
378.09747	12.3
386.12424	0.7
396.10797	7.6
397.11172	0.5
414.11862	100.0
415.12451	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	413.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	14.0
57.07069	9.1
62.84205	4.7
67.05508	33.6
69.07068	35.9
71.23125	8.5
77.80274	4.9
79.05478	17.6
81.07062	78.6
83.08629	13.4
91.05477	16.3
93.07056	35.3
95.08611	100.0
97.10165	6.9
105.07063	24.5
107.08595	58.0
109.10155	61.8
118.24181	4.7
119.08582	28.0
121.10139	39.8
123.11713	28.6
131.08562	9.6
133.10138	26.2
135.11697	38.5
137.13255	28.8
145.10124	10.9
147.11685	19.9
149.13268	41.5
157.10155	6.6
159.11696	12.1
161.13306	22.8
163.14830	75.8
165.09091	7.3
167.88437	4.4
175.14856	23.4
177.16434	7.9
179.10658	5.5
191.17963	21.3
193.12364	7.6
193.19501	6.0
203.14261	9.7
203.18015	7.6
205.19621	12.8
207.13805	13.6
213.16322	5.8
221.15369	14.4
231.17456	6.5
233.22765	4.5
256.21909	4.8
413.34137	76.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3414
Annotation	Tylopiol A
Peak:m/z	Relative Intensity
53.03927	3.0
55.05518	16.4
57.07070	5.8
67.05505	22.1
69.07078	21.2
69.21706	2.7
71.08630	2.6
71.49854	3.7
75.94643	3.5
79.05493	12.6
81.03413	4.7
81.07054	57.0
83.08607	11.8
91.05471	12.5
93.07047	25.1
95.08607	100.0
97.06528	4.6
97.10160	5.0
100.07533	2.8
105.07040	20.1
107.08587	32.8
109.06506	5.2
109.10154	38.7
111.08084	5.8
113.12495	3.3
117.07004	3.8
119.08596	23.1
121.10139	25.6
123.08060	10.3
123.11740	19.6
131.08563	7.8
133.10130	17.6
135.08049	3.7
135.11699	19.0
137.13249	27.3
145.10143	7.4
147.11676	14.5
149.12244	3.5
149.13274	21.8
157.10118	4.2
159.11676	9.2
161.13223	11.7
163.14833	11.4
171.11700	5.9
173.13222	13.3
175.11177	7.8
175.14778	5.4
177.12679	16.7
177.16385	5.5
187.14792	6.1
189.12752	7.1
189.16307	3.7
191.14302	6.6
191.17949	5.2
201.16310	5.7
203.17824	3.7
205.19476	9.6
207.13766	23.4
257.22714	6.2
301.24802	3.4
383.32956	9.9
388.41019	3.1
395.33145	26.2
404.73813	3.6
413.34064	64.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.9
55.05510	4.3
57.07073	0.8
67.05498	3.8
69.03429	1.6
69.07064	9.1
71.04993	0.9
71.08627	1.4
71.29503	1.8
79.05506	6.0
80.33177	0.9
81.07051	1.6
83.04990	6.8
84.38856	0.9
89.06028	1.9
93.07040	7.9
95.08613	4.5
97.06531	2.1
97.23614	0.9
100.79707	0.8
105.07040	1.7
109.10126	1.0
111.04439	1.4
111.11787	0.9
119.08683	1.0
121.10148	3.2
125.09713	1.0
136.07727	0.8
139.03915	35.8
139.11192	12.2
139.12268	1.5
151.03912	1.1
163.03928	1.0
184.07358	1.8
277.14371	100.0
278.14615	1.5
317.13992	2.3
363.14325	1.6
377.15909	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	412.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	6.6
57.03436	2.8
57.07077	3.3
59.04998	4.2
65.70324	1.6
67.05495	7.2
69.03419	5.4
69.07073	7.8
69.99860	5.5
71.04996	2.7
71.08637	3.6
79.05502	11.4
81.03405	1.4
81.07047	4.8
81.09087	1.3
83.04980	27.6
83.08607	2.3
87.04475	2.4
89.06044	17.6
91.05457	2.9
93.07046	12.8
95.08623	8.4
97.06533	4.4
98.21488	2.9
101.09646	1.8
105.07014	2.5
107.08607	3.3
109.10224	1.5
121.10161	4.2
128.14616	1.2
128.69003	1.3
131.10669	3.2
139.03906	45.9
139.11186	100.0
145.12207	8.9
203.16429	7.2
277.14355	90.0
278.14667	1.8
279.16370	1.3
333.13309	3.1
363.14377	4.5
377.15982	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	413.1421
Annotation	t(6)a
Peak:m/z	Relative Intensity
56.05032	0.9
70.27056	1.1
70.27395	3.0
72.97233	0.9
74.06081	3.6
84.04472	1.0
94.90195	0.9
98.04242	0.9
98.20852	1.2
102.05514	1.1
119.03548	3.2
120.06600	7.7
136.06197	100.0
137.04613	1.9
148.48692	1.0
153.81300	1.0
162.04124	58.8
168.48871	0.9
174.09117	0.8
281.09961	47.9
282.10446	0.9
413.18204	1.2
414.11670	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17789	2.0
53.03946	5.8
55.05517	15.0
57.07064	9.3
67.05510	26.3
69.07065	26.4
69.50746	9.1
69.51147	3.3
79.05486	14.3
80.84190	2.0
81.06593	4.5
81.07062	69.5
81.07535	5.1
83.04956	2.6
83.08618	16.4
85.06534	2.8
85.24410	2.0
91.05493	14.1
93.07050	47.2
95.04964	10.8
95.08614	100.0
97.10161	9.0
97.24700	2.2
99.08104	5.0
105.07043	16.1
107.08598	52.2
109.06542	4.1
109.10165	61.9
109.10920	3.1
111.11749	4.3
119.08581	22.2
121.06514	36.9
121.10151	53.9
123.11715	49.4
125.09595	2.5
127.11179	4.1
128.15439	1.9
131.08575	6.5
133.10130	18.2
135.11702	45.2
137.13260	36.4
143.08615	2.7
145.10112	4.6
147.11717	16.4
149.12225	1.9
149.13269	41.5
151.14832	10.2
153.12701	4.9
157.10161	3.6
159.11748	5.2
161.13261	15.0
163.14830	13.4
165.12640	2.2
165.16425	3.2
173.13266	5.5
175.11279	3.1
175.14833	15.7
177.16403	11.9
185.13274	2.5
187.14880	3.9
189.16357	11.1
191.17915	12.2
199.14705	2.5
201.16589	3.2
203.17900	12.0
205.19518	44.1
215.18005	3.3
217.19531	6.6
219.20998	2.8
231.21065	5.1
243.21010	5.3
245.22597	3.6
257.22592	4.3
274.65289	2.3
276.95966	2.5
287.27405	2.8
327.30466	25.6
345.31577	33.6
377.31909	2.8
395.33194	9.7
413.34012	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	411.3622
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
53.17383	2.0
55.05511	12.1
57.07073	5.1
67.05177	2.7
67.05508	23.6
69.07069	28.7
71.08626	2.7
71.20621	4.0
72.08163	1.9
73.44017	2.0
75.34834	1.7
79.05499	16.9
81.06591	3.4
81.07058	53.5
81.07533	3.7
83.08616	9.9
85.06551	3.4
91.05479	14.3
93.07044	37.0
95.08608	68.6
97.06528	2.1
97.10175	8.8
99.08104	3.0
104.52385	1.8
105.07029	34.2
107.08599	54.1
109.10164	48.8
111.11720	2.8
117.07003	2.6
119.08580	27.6
121.10149	32.5
123.11709	21.5
128.22458	1.7
131.08589	8.8
133.10138	21.0
135.11697	32.8
137.13275	16.1
142.07719	1.9
143.08498	3.4
145.10106	19.1
147.11693	30.1
149.13269	48.0
151.11221	3.0
157.10080	3.0
159.11681	13.6
161.13246	29.6
163.14821	98.0
163.96745	2.1
165.16341	3.7
173.13237	7.9
175.14859	13.2
177.12738	3.5
177.16434	12.9
179.14352	4.4
179.18033	3.4
185.13145	2.8
187.14864	10.3
189.16386	10.8
191.14308	3.9
191.17953	27.4
193.15965	4.3
193.19569	3.4
199.14780	2.3
201.16368	14.5
203.17986	6.7
205.15939	5.6
205.19557	6.4
213.16344	3.1
215.17972	3.5
217.19511	13.8
219.17424	13.6
219.20984	2.3
229.19559	4.5
231.21101	6.3
243.21094	3.5
247.20596	2.5
257.22696	5.4
261.22223	3.4
271.24072	2.9
273.22021	3.8
287.23703	4.6
301.25153	3.1
353.32104	8.7
393.35208	10.0
411.36255	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3622
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
55.05509	17.7
57.07063	13.3
67.05508	26.2
69.07076	34.1
69.84436	8.5
71.05002	13.6
71.08660	3.8
79.05495	15.8
81.06596	4.0
81.07057	72.7
83.08609	12.8
84.12651	1.9
86.32972	1.8
89.91379	1.7
91.05460	14.3
93.07045	34.6
95.04189	1.7
95.08611	99.1
96.68396	1.9
97.06519	10.0
97.10158	7.1
99.04450	7.3
105.07034	73.6
107.08596	61.0
109.06513	3.3
109.10159	52.8
109.82471	2.1
111.08061	2.3
111.11723	3.1
117.07030	5.3
119.08588	55.4
121.10146	50.8
122.09676	16.8
123.11704	46.8
131.08569	9.0
131.64520	2.0
133.10130	60.5
135.11699	35.4
137.13258	34.6
139.11191	8.7
143.08562	4.8
145.10124	14.4
147.11687	61.9
149.13268	33.7
151.14859	3.5
153.12764	4.7
157.10144	5.7
159.11697	22.4
161.13251	28.2
161.14459	3.0
163.14825	82.0
164.15276	2.3
167.14301	6.6
169.09990	2.3
171.11693	4.3
173.13240	15.6
175.14828	70.1
177.16386	23.3
181.15849	8.0
183.11775	2.6
185.13272	4.4
187.14822	23.4
189.16380	30.1
191.17987	5.5
195.17407	6.8
199.14772	5.5
201.16438	9.7
203.17943	7.7
205.12346	2.3
213.16403	6.3
215.17944	16.6
217.19496	9.9
227.17972	4.2
229.19557	7.0
231.21071	8.9
241.19551	4.3
243.21173	4.3
249.22166	8.9
255.21086	24.4
256.21408	2.1
257.22678	14.5
259.20599	3.3
269.22607	21.0
271.24222	100.0
273.22031	4.1
287.23706	2.9
291.23053	2.2
295.24155	2.7
309.25784	2.8
393.35187	93.2
394.35486	3.7
411.31186	14.2
411.36798	37.8
412.32019	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	411.3623
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
53.03946	3.7
54.45292	2.5
55.05504	13.0
57.07064	10.0
62.67529	2.5
67.05509	23.5
69.07077	30.1
71.05000	7.2
71.08630	3.4
71.22331	2.2
71.26699	5.1
79.05490	15.8
79.61691	2.2
81.06604	3.2
81.07062	62.9
83.08634	12.5
85.06544	6.1
89.07139	2.4
91.05471	13.8
93.07044	32.8
95.08612	90.9
97.10177	14.0
99.08066	3.4
105.07037	29.2
107.08595	52.3
109.06504	2.7
109.10154	61.7
111.11719	5.8
117.06967	3.5
119.08584	32.8
121.10146	46.6
122.75117	2.3
123.11722	31.1
131.08566	9.1
133.10126	25.9
135.11708	29.1
137.13274	23.6
145.10109	17.8
147.11684	20.9
147.43192	2.2
149.13252	40.0
157.10214	2.5
159.11656	15.1
161.13274	17.5
163.11171	3.6
163.13467	3.5
163.14824	52.5
173.13271	9.5
175.14882	14.1
177.12769	4.5
177.16394	19.4
179.14342	3.7
185.13200	3.0
187.14825	11.5
189.16393	43.1
191.14223	2.7
191.17909	17.6
193.15897	5.0
193.19765	2.6
199.14886	3.3
201.16420	11.3
203.17996	17.7
205.15913	3.5
205.19521	5.1
213.16463	3.6
215.17992	9.8
217.19470	7.7
219.17485	4.0
229.19550	8.3
231.21082	8.5
232.25626	2.5
233.19113	4.2
241.19582	2.5
243.21085	4.0
245.22766	3.8
247.20534	3.9
255.20854	4.1
259.24261	3.2
269.22675	5.8
273.25635	2.7
287.23587	4.0
301.25137	2.3
383.36969	4.1
393.35181	26.0
411.36182	100.0
412.36755	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3622
Annotation	19-Norlanosta-5,24-dien-11-one
Peak:m/z	Relative Intensity
50.13839	1.5
53.03938	1.7
55.05506	5.7
57.07069	3.0
58.11175	1.7
67.05508	11.0
69.07064	10.5
69.25134	14.8
69.25542	3.9
74.70251	1.7
78.37630	2.0
79.05485	7.3
81.07053	35.6
83.08612	6.0
85.06545	5.1
88.71458	1.7
90.04312	1.6
91.05489	7.1
93.07059	13.6
95.08617	43.1
97.10175	5.8
105.07040	14.9
107.08608	17.1
109.10169	28.1
111.11738	3.7
117.07056	4.2
119.08581	11.4
121.10159	16.2
123.11716	16.0
125.13292	1.8
131.08582	7.5
133.10143	8.7
135.11705	14.7
137.13257	19.5
138.24612	1.5
143.08554	4.0
145.10135	18.2
145.25819	2.0
147.11719	7.2
149.13252	16.0
151.14894	2.5
159.11696	9.1
161.13286	10.0
163.14832	13.9
173.13300	8.0
175.14824	7.5
177.12755	4.3
177.16464	2.6
179.14421	3.3
179.17986	2.0
185.13342	3.4
187.14871	7.0
191.14304	2.3
191.18015	7.5
193.15796	2.5
193.19528	2.7
199.14951	2.9
201.16449	13.6
203.14317	1.8
203.17819	1.9
205.15994	2.8
205.19626	6.4
215.17917	3.6
217.19479	2.7
219.17435	10.3
219.21066	2.2
227.18027	2.0
229.19528	5.2
231.17461	2.1
233.19191	2.3
243.21259	2.3
245.22725	2.5
259.20395	2.0
269.22812	2.3
273.22217	6.1
287.23721	2.0
329.28369	2.0
393.35275	6.0
411.36249	100.0
412.36752	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	411.2745
Annotation	Sterol 3-beta-D-glucoside
Peak:m/z	Relative Intensity
53.03957	4.2
55.01868	7.6
55.05507	9.3
57.03431	9.7
57.07064	3.0
61.02923	8.4
62.67797	2.9
67.05505	15.1
69.03432	35.3
69.07074	18.2
70.28737	4.9
70.29118	5.0
71.04993	9.1
73.02921	5.8
79.05499	15.8
81.03425	18.2
81.07066	33.3
82.23753	2.5
83.04967	4.4
83.08607	6.5
85.02910	100.0
85.06551	55.5
87.04488	3.8
91.05473	14.3
93.07047	36.3
95.04980	5.6
95.08614	35.2
97.02898	31.4
97.06524	10.2
97.10122	3.1
99.04471	4.9
99.08088	6.1
105.07034	20.0
107.08607	30.7
109.02920	11.9
109.06500	3.9
109.10151	20.8
111.08022	4.0
117.06995	4.3
119.08573	15.3
121.06553	3.1
121.10144	22.7
123.11729	5.9
125.05998	2.4
125.09651	7.7
127.03936	19.5
128.04295	3.0
131.08563	7.0
133.06451	2.8
133.10133	11.3
135.11716	19.8
139.03871	2.4
139.07591	2.3
139.11192	6.4
141.06677	3.2
143.08577	5.2
145.04965	14.2
145.10133	8.0
147.11731	12.1
149.13258	56.1
155.42863	3.0
157.10167	5.8
159.11723	9.7
161.13269	9.3
163.03960	3.4
163.14833	7.6
171.11661	3.6
173.13310	5.5
174.16698	2.6
175.14832	4.8
189.16383	5.3
199.11250	3.6
201.09145	5.2
201.16461	2.9
226.73175	2.4
231.21092	8.5
247.20581	9.3
249.22157	52.1
261.22144	5.2
277.14471	3.4
288.43295	2.4
375.25589	5.5
411.17444	4.7
411.28119	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3624
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
53.71298	1.6
55.05510	8.6
57.07085	11.4
59.84857	1.7
60.81505	1.8
64.07055	1.8
67.05511	20.1
69.06736	2.2
69.07073	24.3
69.55074	12.7
71.04990	9.6
71.08623	7.2
73.54731	1.6
75.83369	1.7
79.05497	11.0
81.07057	63.6
83.08624	13.7
85.06539	9.0
91.05488	16.3
93.07044	26.6
95.07993	4.3
95.08608	81.5
97.10164	9.4
99.04446	2.7
99.08120	7.6
105.07036	26.5
107.08591	32.7
107.09296	2.0
109.10160	53.3
111.11721	5.8
117.07046	4.3
119.08576	31.3
121.10152	26.8
123.08125	2.0
123.11710	29.3
125.09650	2.5
125.13296	3.2
131.08546	12.8
131.38504	1.8
133.10144	18.2
135.11696	24.8
137.13255	27.8
143.08595	2.4
145.10130	24.0
147.11687	17.7
149.09639	3.0
149.13260	26.5
151.14899	3.4
157.10197	5.2
159.11708	15.3
161.09773	2.1
161.13254	15.9
163.11166	4.0
163.14828	20.3
165.12901	2.2
165.16394	3.1
171.11710	2.4
173.13283	13.7
175.11255	1.9
175.14868	12.1
177.12764	5.2
177.16428	7.5
179.14355	2.2
185.13309	2.9
187.14827	11.0
189.16371	8.9
191.14359	5.0
191.17953	11.7
193.15990	2.1
193.19557	2.3
197.13245	2.3
199.14815	5.1
201.16386	13.6
203.18059	5.7
205.15956	7.9
205.19585	8.2
213.16376	3.8
215.18018	5.0
217.19571	2.9
219.17493	10.7
219.21140	2.8
227.18028	3.6
229.19524	8.9
231.17410	2.7
231.21217	2.1
233.84267	2.3
238.86197	1.9
241.19649	2.9
243.21188	5.0
247.20712	2.1
255.21162	6.3
257.22681	3.0
269.22763	4.5
273.22189	4.0
273.47806	2.0
287.23764	2.4
294.34158	1.8
296.06473	1.7
393.35562	9.9
411.36395	100.0
412.36880	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	411.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.8
55.01868	8.2
57.03444	21.2
57.07087	13.0
61.02935	4.8
67.05497	7.6
68.86137	3.1
69.03101	3.3
69.03437	51.2
69.43354	16.5
71.04982	11.4
73.02909	4.5
81.03432	26.5
85.02910	100.0
85.06554	20.2
87.00841	61.3
90.99872	2.3
91.05463	2.9
95.05009	13.1
97.02901	26.4
97.06519	2.8
97.76843	2.5
99.04433	13.8
101.06041	3.3
103.05460	11.0
103.07591	74.7
105.01208	3.4
105.01875	44.5
108.89047	3.0
109.02888	30.9
113.05984	6.8
124.89269	2.3
127.02981	4.0
127.03925	80.7
127.07561	21.0
131.04922	13.1
131.07047	5.8
135.04393	3.0
137.05975	4.0
145.04944	15.1
145.06383	2.8
145.08615	7.7
159.02907	5.2
160.05115	3.3
161.05872	3.0
162.05476	3.0
163.03954	9.3
163.05867	2.8
163.07513	11.0
163.09666	20.1
173.08116	10.7
175.07564	19.2
176.35474	2.6
187.07542	3.5
189.03923	4.2
189.09035	3.0
191.07108	4.1
199.07471	3.5
201.09172	3.0
205.08665	3.9
213.03972	4.4
213.09116	4.2
229.08562	3.2
229.10744	7.1
231.05052	13.8
247.09621	2.6
253.10698	5.0
277.10687	12.1
357.11923	4.7
411.18823	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	411.15
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30112	2.1
53.03942	5.7
55.01856	7.7
57.03437	17.8
57.07080	13.2
61.02925	4.9
67.05502	7.0
68.99775	3.3
69.03433	47.1
69.43015	5.5
69.43417	15.2
71.05005	4.8
73.02912	3.4
81.03423	31.8
83.01321	2.1
85.02913	100.0
85.06554	16.1
85.16218	2.2
87.00387	3.4
87.00838	39.6
95.04980	9.4
97.02911	20.1
98.20773	4.7
99.04456	10.9
99.85168	2.4
101.06015	6.4
103.07589	73.3
105.01874	34.6
109.02888	30.5
113.06014	6.5
119.57482	2.4
127.03927	61.9
127.07561	17.0
131.04927	4.6
131.07071	3.3
137.05939	2.3
138.39896	2.2
145.04979	12.9
145.06534	2.1
145.08585	7.9
147.02844	2.5
154.15327	2.1
159.02937	3.3
161.05977	2.5
163.03876	8.2
163.05949	2.2
163.07503	6.1
163.09700	16.6
173.08121	11.9
175.07585	5.8
189.03976	5.0
203.03352	2.2
203.06931	2.5
213.03899	3.4
223.40878	2.3
229.10791	3.3
231.05028	14.4
277.10751	7.2
411.18542	10.5
412.19885	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	9.1
55.01881	7.0
57.03432	14.1
57.07083	9.0
61.02905	6.7
62.29273	3.0
67.05497	3.9
68.99815	7.8
69.03439	57.2
69.71060	3.3
70.06606	6.1
71.04983	6.6
73.02934	6.1
77.76056	3.3
81.02995	4.0
81.03428	41.1
85.02911	100.0
85.06548	9.9
86.09683	4.0
87.00832	50.8
91.05496	3.6
95.04987	11.3
97.02899	47.0
99.04464	12.9
101.06046	4.0
103.03951	8.3
103.05475	45.5
103.07587	49.7
105.01886	42.0
107.57024	3.3
109.02908	31.0
113.05925	3.0
115.03905	3.3
115.05517	9.9
117.07035	9.4
127.03931	72.7
127.07585	11.6
129.01830	4.0
129.07008	5.6
131.04945	92.8
135.04469	5.1
137.05971	6.2
145.04996	16.6
145.06505	14.7
145.08604	5.0
146.32939	3.2
147.08131	3.5
157.06485	3.5
159.02911	11.3
160.05212	12.9
161.06017	7.3
162.05478	13.1
162.06706	4.3
163.03928	7.3
163.05881	13.6
163.07558	34.8
163.09671	12.1
169.06523	3.9
170.38988	3.2
171.02798	3.7
173.06006	11.0
173.08130	5.7
175.05193	3.5
175.07581	89.2
177.09129	5.3
181.06445	4.6
183.08054	6.4
187.07552	12.4
189.04042	5.2
189.09167	7.5
199.07530	4.0
201.09175	6.3
203.07077	5.8
205.08626	19.4
211.07494	4.6
213.09146	4.8
215.10788	3.3
217.08557	10.1
225.09174	6.1
229.08630	8.6
229.10732	3.9
231.05061	13.3
231.10292	4.9
241.08586	4.9
243.10257	7.0
253.08607	10.2
259.09769	7.5
261.86554	3.6
271.09683	18.3
277.10663	9.7
289.10699	5.1
351.44879	2.9
375.10748	5.6
411.19629	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	410.0578
Annotation	Glucotropaeolin
Peak:m/z	Relative Intensity
55.01887	1.4
57.03448	2.1
69.03430	5.7
70.43336	4.6
71.05046	1.2
73.02913	2.9
79.05514	1.9
81.03429	2.5
85.02923	16.1
91.05489	100.0
91.25938	1.2
97.02893	1.9
99.04460	1.7
109.02917	3.2
121.06587	1.4
127.03915	5.7
134.06027	18.6
142.53261	1.4
145.02876	2.3
145.05005	4.3
168.04803	79.2
177.05531	3.9
410.51926	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	7.9
55.01871	9.8
55.05523	6.7
55.87003	5.3
57.03434	6.9
67.05491	17.8
69.03441	10.3
69.07063	8.9
70.06589	19.3
71.01351	11.2
71.04985	7.2
79.05495	14.0
81.03397	6.2
84.08135	8.4
85.02908	35.5
87.00820	13.8
91.05478	24.7
93.07039	10.4
95.04961	15.3
95.08649	5.8
97.02889	8.0
97.06538	53.3
105.07026	20.2
105.08110	6.1
109.02907	10.4
117.07014	9.1
119.08575	6.2
123.04411	6.5
127.03896	10.0
127.08717	5.8
129.07025	19.6
130.06532	12.4
131.04980	9.0
131.08568	10.9
132.08104	12.1
135.04398	7.9
137.06023	17.9
141.06950	7.8
143.07317	40.2
144.08105	100.0
145.12215	6.9
147.04463	9.8
147.11728	8.7
156.08127	21.2
157.06490	7.0
158.09648	96.2
159.08139	5.6
160.05206	18.6
160.07584	6.4
161.05983	51.1
162.09215	9.2
163.03891	34.0
167.08577	10.1
168.08101	27.5
170.09633	5.9
171.08095	6.3
173.02316	6.5
175.07523	15.5
175.11237	8.1
184.07605	27.5
185.06027	7.0
186.09158	95.1
187.07642	8.9
189.09068	60.6
193.12230	7.2
195.08202	10.2
203.10657	12.3
204.10193	80.9
213.09122	25.1
215.07022	59.9
217.08612	9.7
228.10124	5.8
231.10233	16.4
252.10170	15.9
259.09702	99.5
270.11304	14.2
275.08960	27.6
330.13434	5.9
337.95862	5.8
356.11508	7.1
359.21558	6.1
374.12164	33.9
392.13513	41.6
393.13278	11.5
409.26181	6.7
410.15573	9.0
411.19962	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	409.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77981	1.8
54.93015	1.8
55.05516	20.0
57.07068	8.5
57.33434	2.2
63.60874	1.8
67.05508	25.1
69.07072	50.0
69.45139	14.5
71.08644	2.8
79.05495	16.6
81.07063	70.5
83.08627	21.1
91.05476	11.7
93.07057	31.9
95.08616	90.1
96.08909	2.1
97.10188	11.0
101.07121	2.4
105.07041	32.2
107.08601	48.9
109.10170	58.0
111.11734	5.8
117.07053	3.7
119.08589	36.8
121.10154	41.5
123.08115	3.6
123.11706	32.6
131.08575	10.2
133.10141	39.8
135.11707	31.2
136.31244	2.0
137.13249	19.2
143.08522	2.4
144.09389	2.4
145.10138	19.1
147.11694	37.8
149.12202	3.5
149.13278	36.2
151.14848	3.2
157.10127	5.6
159.11732	19.3
161.13277	19.9
163.14812	16.7
165.16396	2.8
171.11684	4.3
173.13269	15.5
175.14836	22.3
177.16400	18.1
185.13268	5.0
187.14784	14.9
189.16440	16.8
191.17953	15.9
199.14848	2.5
201.16412	11.6
203.14331	29.9
203.17912	14.3
205.15855	12.0
205.19612	5.6
205.53114	1.8
213.16321	5.3
215.17975	10.3
217.19591	12.2
217.21443	1.9
227.18040	4.6
229.19508	3.5
231.21104	9.2
241.19435	2.6
243.17665	1.9
243.21136	6.9
245.22681	5.8
257.22662	8.9
259.24170	7.3
269.22586	3.0
271.24246	6.5
283.24258	3.4
285.25732	14.9
297.25583	2.4
299.27451	4.6
325.29041	4.8
327.30447	4.5
339.30435	4.4
353.31973	5.0
367.33337	2.5
399.81424	2.0
409.34384	23.2
409.38306	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3831
Annotation	4,4'-Diapophytoene
Peak:m/z	Relative Intensity
53.03968	4.1
55.05510	14.0
57.07091	8.6
66.95816	2.0
67.05501	25.3
69.07068	43.1
69.07410	2.8
70.97962	4.5
71.08625	2.3
79.05489	15.4
81.07056	83.9
83.08616	17.8
83.09010	1.7
86.42723	2.0
91.05474	14.5
91.66099	2.1
93.07034	35.3
95.08608	100.0
97.10161	11.1
97.50504	2.1
105.07024	28.6
107.08591	52.2
109.10157	64.4
111.11737	4.1
117.07026	4.1
119.08580	33.2
121.10141	45.1
121.10905	3.3
121.63593	2.9
123.11707	42.2
125.13325	2.6
131.08653	8.8
133.10143	36.4
135.11690	40.3
137.13243	25.0
145.10135	12.8
147.11696	40.3
147.12785	2.9
149.13274	36.8
149.14392	3.1
151.14850	5.7
159.11716	15.7
161.13269	21.6
163.14827	35.4
165.16504	2.6
171.11739	2.7
173.13297	10.9
175.14818	14.8
177.16382	15.1
185.13210	3.0
187.14876	11.2
189.16405	13.3
191.17921	31.1
201.16504	9.1
203.17926	16.8
205.19463	10.5
213.16345	3.3
215.17975	10.9
217.19505	26.7
219.21057	2.8
229.19542	12.6
231.21184	10.0
243.21307	6.9
245.22812	8.2
257.22662	12.1
259.24368	5.7
271.24213	13.4
285.25757	12.8
299.27344	2.4
327.30392	3.6
339.30603	3.3
409.38577	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	409.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	12.8
57.07070	10.9
65.16966	2.0
67.05514	15.9
69.07069	27.0
71.08620	6.4
71.22996	3.0
71.23328	3.1
77.11779	2.1
79.05489	10.8
81.06600	2.7
81.07060	43.0
82.07372	3.2
82.42339	2.2
83.08620	9.7
85.06532	8.6
85.10165	3.3
86.09695	2.6
86.56224	2.0
89.06001	3.4
90.64424	2.0
91.05477	13.8
93.07050	32.9
95.04945	2.8
95.08607	64.3
97.10168	7.9
105.07015	23.5
107.08595	39.7
109.10155	36.4
116.22835	2.0
117.07007	9.3
119.08586	25.8
121.10148	28.9
123.08116	2.2
123.11723	18.6
129.06990	3.9
131.08591	14.3
133.10109	19.4
135.11697	20.8
137.09637	3.4
137.13231	14.2
142.07674	2.8
143.08537	9.2
145.10118	19.4
147.11682	17.7
149.09598	2.5
149.13261	28.1
151.07539	7.3
155.08517	2.9
157.10104	7.7
159.11691	24.0
161.13243	16.8
163.11121	2.7
163.14833	50.1
165.16292	2.2
167.41553	2.2
169.10164	3.2
171.11667	10.5
173.13179	10.1
175.11238	3.5
175.14816	10.9
177.12814	3.9
177.16379	13.1
183.11781	3.4
185.13228	7.2
187.14815	10.2
189.12759	3.2
189.16380	10.9
191.10658	2.3
191.14380	2.4
191.17990	16.6
195.12218	2.2
197.13206	4.9
199.14841	5.9
201.12604	2.4
201.16353	9.5
203.10670	6.0
203.14334	6.4
203.17921	7.1
211.14699	2.6
213.16371	5.2
215.14243	3.2
215.17859	5.3
217.15913	12.4
217.19502	8.9
219.17398	3.2
225.16470	2.3
227.17902	3.8
229.19424	4.1
231.17487	3.0
231.21034	3.8
243.21017	4.4
245.19029	3.3
245.22591	2.7
247.20703	2.4
253.19543	3.3
255.21091	2.8
257.19061	3.7
257.22757	3.4
259.20709	2.4
261.21939	2.8
267.21075	3.8
271.20670	5.3
281.22748	3.8
283.24023	2.4
285.22128	5.7
313.25186	2.8
321.17856	2.2
367.29727	2.4
391.33655	11.7
409.34619	100.0
410.34839	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	409.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.8
55.05503	9.7
57.07068	5.2
59.39400	1.0
65.03926	1.9
67.05510	18.8
69.07063	13.4
69.51732	6.4
70.06601	1.2
71.04986	5.0
76.03587	1.0
77.03909	1.0
78.29433	1.1
79.05489	19.5
79.63033	0.9
81.07058	49.4
83.08625	6.5
85.06557	10.7
91.05483	28.9
93.07048	39.4
93.07642	1.9
95.04955	3.2
95.08613	71.1
97.06548	2.3
97.10175	3.9
99.08102	7.8
103.05452	1.9
105.07035	49.6
107.04915	1.3
107.08599	49.4
109.06528	1.2
109.10163	31.3
111.08128	2.1
111.11725	1.8
115.05482	1.6
117.07040	9.9
119.08589	48.1
121.10146	37.8
123.08071	2.7
123.11715	15.1
125.09599	1.5
129.07005	2.8
130.07823	1.5
131.08575	20.8
133.10136	33.4
135.08081	1.9
135.11700	31.3
137.05966	2.4
137.09615	1.9
137.13255	16.0
141.06903	1.1
143.08566	3.6
145.10124	40.6
147.11703	29.3
149.09644	2.0
149.13268	21.0
151.11163	2.4
151.14864	2.7
155.08549	2.0
157.10187	5.8
159.11710	34.8
161.13263	31.0
163.03883	2.0
163.11177	7.0
163.14822	10.0
164.04236	2.2
169.10265	1.5
171.11723	4.1
173.13269	14.6
175.14844	22.0
177.12769	4.3
177.16362	10.5
179.14372	2.5
183.11710	1.7
185.13318	4.6
187.14839	10.6
189.12778	1.2
189.16412	23.9
191.14275	3.6
191.17976	21.6
193.15952	1.6
199.14827	4.4
201.16400	34.4
203.14436	2.0
203.17975	18.7
205.15884	3.8
205.19569	3.5
207.06520	2.6
208.06839	1.8
211.14848	1.6
213.16386	3.1
215.14313	1.1
215.17860	6.9
217.16011	5.8
217.19464	14.2
219.17444	14.9
219.21017	1.7
227.17990	2.5
229.19606	3.5
229.23582	2.3
231.17406	3.0
231.21112	7.9
233.19031	4.6
241.19504	2.6
243.21071	1.8
245.19060	1.9
245.22630	1.7
253.19275	1.2
255.21097	1.4
257.19098	1.5
259.20508	3.6
269.22852	1.5
271.20590	3.1
271.24460	1.6
273.22098	1.8
285.22116	1.4
353.28546	1.7
391.33673	3.8
409.27106	4.7
409.34692	100.0
410.35147	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	409.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	1.1
53.03931	2.2
55.05516	10.1
57.07060	3.4
58.06601	2.2
65.03946	1.3
67.05510	26.1
67.84584	1.0
69.06732	1.3
69.07073	16.0
71.04989	1.9
71.08633	1.2
71.22357	1.2
71.22692	1.4
79.05498	34.7
81.03416	1.7
81.06594	1.8
81.07059	32.8
83.04970	2.3
83.08617	7.6
85.02273	0.9
85.06551	1.5
91.05481	21.8
93.07053	36.2
93.85738	0.9
95.04999	4.5
95.08613	86.9
97.06512	1.9
97.10166	3.7
104.97133	0.8
105.04494	1.2
105.07039	27.8
107.04971	1.1
107.08598	100.0
108.08910	0.9
109.06498	2.4
109.10164	35.3
111.08098	2.4
111.11719	1.5
117.06228	1.0
117.06946	4.6
119.08588	34.0
121.06493	3.0
121.10152	52.9
123.08088	3.4
123.11732	8.9
125.83344	0.8
129.07042	1.4
130.07805	1.1
131.08563	10.3
133.10138	30.5
135.08064	7.1
135.11696	22.4
137.05981	2.8
137.09622	1.6
137.13245	3.3
142.07779	1.0
143.08627	4.1
144.09286	1.6
144.10315	1.0
145.10126	19.0
147.08040	1.8
147.11700	17.9
149.09625	3.5
149.13261	21.8
151.11209	0.9
155.08575	1.2
156.09366	1.0
157.10127	6.4
158.10953	2.7
159.11691	12.4
161.05962	0.8
161.09633	2.6
161.13240	10.4
163.11194	13.6
163.14839	11.9
165.12842	1.0
169.10159	2.1
170.10861	1.3
171.11710	3.5
172.12434	1.9
173.13264	6.0
175.11241	5.1
175.14833	25.0
177.12767	3.7
177.16397	38.8
183.11697	2.0
184.12413	0.9
185.13220	2.7
187.11217	1.1
187.14830	18.6
189.12715	1.8
189.16400	12.5
191.17943	6.4
195.11716	1.3
197.13225	2.3
199.14867	2.3
201.16417	6.9
203.14337	3.9
203.17961	32.9
205.15891	74.4
206.16208	1.8
207.17455	1.1
211.14876	1.3
213.16431	3.4
215.14412	1.3
215.17967	5.2
217.15839	1.8
217.19466	3.0
219.17467	4.7
221.15408	3.2
225.16446	1.5
227.17894	1.4
229.15897	1.3
229.19545	2.9
231.17525	2.1
231.21094	2.1
233.19093	1.0
236.14960	3.8
239.17909	2.0
241.19478	2.1
243.17374	1.0
243.21135	2.5
245.19107	1.5
253.19537	1.0
255.21210	1.8
267.21133	1.3
271.20547	1.2
285.25699	10.5
291.17508	1.1
295.24216	15.9
313.25217	17.8
339.26898	4.7
372.14243	0.9
379.76407	1.1
381.34863	1.4
388.27475	1.8
391.26221	1.1
391.33679	5.0
401.77704	1.1
409.27158	2.1
409.28821	2.5
409.34705	38.5
410.34897	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.4
55.01866	1.7
55.05511	13.1
57.03428	2.5
57.07067	3.3
63.52622	1.2
65.03929	1.7
67.05183	2.0
67.05508	28.6
68.99794	1.3
69.03422	3.7
69.07076	21.2
71.01438	2.1
71.01767	1.9
71.05000	1.6
73.97695	1.1
77.03944	1.4
79.05502	30.2
81.03419	2.8
81.07059	75.9
83.08601	8.5
85.02885	5.8
85.06546	3.6
85.57861	1.2
86.57285	1.1
91.05483	40.1
93.07047	58.5
95.04951	3.0
95.08614	75.4
97.02908	1.7
97.06532	8.2
97.10172	5.6
97.62545	1.2
99.08071	1.4
105.07037	81.5
107.08595	56.2
108.08883	1.5
109.06535	1.7
109.10161	35.6
111.08083	2.1
111.11681	1.4
115.05428	1.6
115.40576	1.1
117.07014	14.2
119.08589	59.3
121.06539	1.5
121.10150	43.8
123.08057	2.6
123.11714	12.0
125.09642	2.2
128.06172	2.1
129.07019	3.4
130.07782	2.5
131.08569	30.2
133.10139	47.6
135.08060	2.7
135.11707	36.6
137.05943	1.7
137.13280	6.9
139.11147	1.3
142.07719	1.3
143.08554	6.1
144.09308	2.8
145.10135	55.0
145.72099	1.2
147.11691	47.1
149.09566	1.6
149.13263	21.8
151.11140	1.7
151.14719	1.1
155.08554	2.8
157.10153	7.2
159.11705	43.3
161.13263	100.0
162.13701	1.2
163.11200	2.6
163.14832	16.5
169.10085	1.8
170.10954	1.4
171.11745	7.2
172.12372	1.5
173.13261	16.1
175.14853	11.4
177.12808	2.0
177.16415	8.5
179.14380	7.3
183.11700	3.2
185.13290	10.0
187.14838	15.3
189.16382	25.6
191.14386	3.0
191.17958	56.8
197.13315	3.0
199.14809	6.4
201.16391	38.7
203.06987	1.5
203.14363	4.8
203.17953	18.5
205.15929	6.6
205.19499	2.2
207.17444	1.4
211.14818	3.4
213.16478	2.9
215.17953	9.9
217.15982	5.7
217.19542	8.7
219.17455	47.6
227.17975	4.5
229.15901	1.9
229.19508	9.7
231.21201	7.2
241.19550	2.4
243.17508	1.5
243.21162	4.1
245.19106	2.2
247.20639	5.4
253.19421	1.9
255.21069	7.9
257.22705	3.2
259.20660	1.5
267.21112	1.5
269.22678	4.0
271.20657	2.2
281.22705	1.9
299.23517	1.5
313.10822	2.1
321.26123	1.5
347.23276	3.0
349.29553	1.5
351.30573	5.0
365.13834	2.1
366.28946	1.4
391.33545	4.7
409.17184	6.7
409.21774	2.6
409.26202	3.6
409.34689	71.4
410.35150	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	12.8
57.03436	1.8
57.06797	2.1
57.07077	41.6
67.05511	17.1
69.07072	20.6
70.11035	1.6
71.08302	2.7
71.08638	33.4
71.49902	2.0
79.05498	13.2
81.07063	31.8
83.08625	11.7
84.22134	1.7
85.06548	4.2
85.10193	19.3
89.06023	2.5
91.05467	11.9
93.07044	24.6
95.04960	1.9
95.08613	48.9
97.10156	5.3
99.11695	1.8
103.05456	1.7
105.07030	22.5
107.04951	5.2
107.08597	30.9
109.10154	28.0
117.06970	5.5
119.08597	26.9
121.06502	3.5
121.10149	20.5
123.08054	1.9
123.11736	13.5
131.08566	10.8
133.06468	1.8
133.10152	20.9
135.08058	4.1
135.11690	17.7
137.13286	9.7
137.14134	1.6
143.08531	4.8
144.09334	2.0
145.10139	15.3
147.08023	3.6
147.11688	16.0
149.09604	2.5
149.13243	15.8
151.07556	19.9
151.14853	2.3
155.08534	2.2
157.10158	7.8
159.11688	17.6
161.09616	4.1
161.13307	9.9
163.07532	8.5
163.11168	2.8
163.14827	24.9
165.09137	14.5
169.10150	4.8
171.11671	7.5
173.09596	3.2
173.13255	12.0
175.11151	2.9
175.14806	12.3
176.03746	1.7
177.09099	13.2
177.12770	4.8
177.16437	5.2
179.10655	6.7
181.08553	2.5
183.11722	5.3
185.13245	3.3
187.11211	2.6
187.14758	4.8
189.12741	4.3
189.16408	6.1
191.10612	5.5
191.14276	3.7
191.17972	12.8
193.15898	2.7
197.13118	2.1
199.14804	5.0
201.12668	3.2
201.16360	4.9
203.14268	14.1
203.17947	2.4
205.12245	2.5
205.19417	2.6
209.11620	2.9
211.14824	2.2
213.16266	2.5
215.14285	4.8
215.17947	3.5
217.15854	5.4
217.19475	5.6
219.13683	2.9
219.17470	2.7
219.21068	1.8
227.17989	1.9
229.15807	3.7
229.19464	2.8
231.17445	2.7
231.21111	3.7
233.15346	4.5
243.21030	2.6
245.22658	2.3
255.21025	2.5
267.20975	2.7
271.24069	2.3
285.22159	3.3
299.24042	2.0
313.25247	6.5
339.26822	2.3
373.30518	2.4
391.33688	8.4
408.04105	1.7
409.34555	100.0
410.35016	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	409.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30957	2.6
53.03948	4.6
55.05284	2.1
55.05515	20.4
55.48989	2.3
57.03419	3.2
57.07064	3.8
64.66308	2.1
65.03930	5.7
67.05517	22.8
69.03425	6.7
69.07060	10.3
70.73856	5.3
70.74195	3.1
79.05488	29.0
81.07062	43.3
83.04957	6.1
83.08617	5.5
84.13785	3.0
88.52472	2.6
91.05482	42.9
93.06488	3.8
93.07041	50.1
95.04975	43.5
95.08616	28.6
97.06509	9.8
103.05498	3.6
105.07036	100.0
106.00552	2.4
107.08589	25.8
109.06509	12.1
109.10133	15.2
111.08067	4.0
115.05478	3.9
116.06194	3.0
117.07005	13.9
119.04932	4.5
119.08592	63.7
121.06519	15.6
121.10146	21.2
123.08048	11.4
128.06201	9.6
129.06975	10.1
130.07706	2.8
131.08562	25.0
133.06525	4.5
133.10130	20.3
135.08043	11.2
135.11668	8.6
137.05995	3.8
137.09637	5.2
141.06931	3.8
142.07761	11.3
143.08551	13.6
144.09357	4.5
145.06441	3.9
145.10117	37.5
145.96114	2.4
147.08057	13.0
147.11693	41.3
149.09625	10.9
151.07532	11.0
155.08595	6.8
156.09412	4.4
157.10153	21.7
158.10883	3.6
159.08105	3.1
159.11685	16.9
161.09633	3.6
161.13258	4.8
163.11156	4.5
165.09148	19.2
169.10109	8.0
170.10895	2.6
171.11707	10.4
173.09599	9.0
173.13289	8.5
175.11205	29.4
175.14902	4.2
177.09152	2.9
181.10236	5.0
182.10841	2.6
183.11687	7.9
185.13229	8.7
187.11104	5.7
187.14781	3.4
189.12711	4.0
193.10129	4.7
194.10841	2.7
195.11642	4.2
197.13313	3.9
201.12737	9.3
203.14293	10.8
206.62164	2.5
207.13847	5.9
209.13197	4.3
211.14865	6.8
213.12671	4.6
215.14240	3.7
217.12343	3.0
219.13670	4.8
221.13336	4.5
221.15335	38.5
223.14795	3.9
225.16394	2.4
229.15831	3.1
231.13841	4.6
233.15437	3.9
234.16142	18.3
235.94310	2.8
246.62131	2.9
249.16168	3.1
253.15866	3.3
287.19904	5.3
300.20764	6.4
329.20828	2.7
356.29480	2.6
372.21545	2.7
391.26328	4.6
409.27438	33.0
409.34811	4.6
430.83154	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	409.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11921	2.0
53.03933	6.5
55.05509	13.3
57.07051	4.0
59.04992	3.4
60.23055	2.1
64.82764	1.7
65.03941	3.5
67.05511	15.9
69.03416	8.6
69.07059	7.3
69.24080	5.6
69.24500	11.2
71.04956	3.2
73.99800	1.7
79.05493	21.2
81.06659	2.5
81.07060	27.1
82.52512	2.0
83.04974	4.2
85.06521	3.4
91.05475	32.3
93.07044	39.2
95.04964	46.3
95.08601	20.9
97.06504	7.7
98.20766	3.7
103.05457	4.2
105.07027	100.0
107.04974	2.2
107.08595	20.5
108.81567	1.9
109.06525	9.5
109.10149	7.2
117.07021	12.2
119.08580	61.3
121.06502	14.9
121.10158	12.1
123.08061	13.9
123.11662	2.7
128.06242	4.8
129.05516	2.1
129.06993	9.1
130.07741	6.3
131.08582	21.6
133.06490	5.4
133.10109	13.2
135.08072	13.1
135.11700	4.4
137.06027	2.8
137.09612	10.4
141.06964	2.2
142.07808	10.1
143.08553	10.6
144.09352	4.1
145.09067	2.6
145.10133	31.7
146.07196	1.9
147.08031	17.8
147.11679	41.4
149.09627	10.4
151.07521	16.5
153.09053	3.6
155.08499	8.4
156.09372	4.8
157.10152	15.2
159.08044	4.6
159.11679	11.5
161.09605	8.2
161.13261	3.7
163.11176	4.8
165.09120	29.3
168.09370	2.5
169.10149	8.0
171.11710	6.7
173.09570	6.2
173.13206	9.3
175.11168	30.3
177.09171	2.7
181.10092	4.0
183.11676	6.4
185.13278	3.9
187.11201	2.8
187.14890	2.2
189.12764	4.2
191.14240	2.3
195.11790	2.9
197.13272	2.8
201.12758	6.4
203.14339	16.3
207.13864	5.9
209.13370	2.7
211.14793	6.8
215.14404	2.2
219.13808	6.4
221.15376	55.5
229.15883	3.0
233.15265	2.6
234.16150	18.7
236.14755	2.3
243.14038	2.6
287.20047	8.3
300.20877	4.8
329.21024	4.4
391.26151	4.4
409.27328	35.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.6
55.01855	2.5
55.05508	15.2
55.54166	2.0
57.07067	6.6
58.79916	1.9
59.04988	4.9
67.05500	17.4
69.03418	8.4
69.07059	7.4
71.04988	3.4
79.05487	17.6
81.03418	3.3
81.07061	31.8
83.04976	5.0
83.08607	2.6
85.06539	3.0
91.04967	3.2
91.05482	30.8
91.24107	1.7
93.07043	35.9
95.04962	45.0
95.08603	30.0
97.06522	7.7
103.05473	4.3
105.07027	100.0
106.07335	2.5
107.04935	2.2
107.08601	24.6
109.06519	10.4
109.10154	7.1
111.08085	3.9
115.05441	3.2
117.06987	12.4
119.08580	61.8
121.06508	14.1
121.10151	16.8
123.08051	17.0
123.11701	3.3
125.06010	2.4
128.06218	5.8
129.06963	7.1
130.07773	3.9
131.08551	22.2
133.06500	5.3
133.10124	17.7
135.08031	12.1
135.11720	4.7
137.06027	2.5
137.09602	8.4
141.06975	5.2
142.07765	14.2
143.08548	15.7
144.09300	2.6
145.06516	2.2
145.10121	38.6
145.11172	3.6
147.08043	15.3
147.11685	29.9
149.09616	10.7
151.07533	22.7
153.06967	1.9
153.09048	2.9
155.08598	8.9
156.09363	3.1
157.10133	18.1
159.08051	5.0
159.11687	13.4
161.09570	9.8
161.13231	4.6
163.11159	7.6
165.09135	31.9
167.08549	2.2
168.09328	4.4
169.10135	10.7
171.11641	8.1
173.09628	5.6
173.13284	6.9
174.10396	2.0
175.11180	21.9
177.09174	4.6
181.10081	4.5
182.10875	2.6
183.11670	9.9
185.09590	2.4
185.13252	4.5
187.11253	2.5
187.14766	2.8
189.12740	4.7
191.14270	3.6
193.10056	2.9
197.13280	3.6
199.11211	5.0
199.14877	2.5
201.12761	7.9
201.16418	2.2
203.10574	2.0
203.14302	14.0
207.13800	6.9
209.13297	4.3
209.15344	2.4
211.14815	8.1
213.12688	2.7
213.16415	2.9
215.14285	3.0
215.17999	2.3
219.13800	6.1
221.15366	55.5
223.14792	2.5
229.15912	5.0
231.13768	3.7
233.15341	3.8
234.16164	14.3
283.49979	2.2
286.19171	5.2
287.19995	6.9
296.42212	1.9
300.16324	1.9
311.19980	2.4
329.21182	5.8
391.26239	5.3
409.27179	42.2
409.34943	2.9
410.27597	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	409.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.3
53.74963	1.6
55.05517	14.4
55.43175	1.7
57.03441	1.7
57.07071	6.0
59.04998	1.9
65.03963	1.9
67.05503	16.7
69.03416	7.9
69.07074	5.3
70.63895	3.7
73.22220	1.9
79.05499	22.3
81.07064	22.9
83.04981	4.5
85.06537	4.0
87.98550	2.1
91.05486	37.1
93.07047	37.6
95.04975	43.0
95.08611	21.9
97.06556	5.9
103.05445	3.7
105.04535	2.1
105.07037	100.0
107.04952	2.3
107.08588	20.3
109.06522	10.9
109.10178	4.6
111.08060	2.0
115.05431	2.8
117.07023	13.4
119.04897	2.3
119.08591	68.4
121.06510	13.7
121.10118	10.5
123.08065	14.6
128.06235	3.9
129.07022	6.5
130.07787	3.8
131.08588	16.5
133.06474	4.5
133.10132	14.7
135.08089	12.2
135.11749	3.3
137.09653	6.1
141.07036	4.1
142.07785	10.8
143.08578	10.6
144.09357	3.0
145.10126	33.0
147.08038	14.0
147.11696	42.7
149.09631	12.7
149.13228	1.7
151.07559	19.9
153.06960	2.3
155.08591	9.1
156.09309	4.6
157.10139	15.6
159.08080	4.7
159.11717	12.9
161.09636	5.1
161.13261	5.4
163.11171	3.7
165.07002	3.1
165.09122	27.4
167.08559	3.6
168.09448	2.3
169.10126	6.1
171.11691	6.2
173.09702	2.9
173.13313	5.9
175.11211	29.7
177.09192	2.6
178.09892	1.8
179.08574	3.0
181.10152	5.4
182.10953	2.0
183.11693	8.1
185.13225	3.9
187.11214	3.8
187.14915	2.2
189.12700	3.5
191.14288	2.2
195.11722	2.2
196.12556	1.9
197.09683	2.0
197.13248	3.3
201.12762	7.8
201.16406	2.0
203.14374	11.3
207.11887	2.5
207.13857	6.2
209.15324	2.5
211.14870	6.4
219.13847	4.9
221.13191	2.8
221.15376	56.9
229.15863	3.5
231.13799	2.9
233.13185	2.5
233.15375	3.9
234.16142	17.7
238.32524	1.8
269.19156	1.7
287.20093	6.0
299.20044	2.3
300.20786	5.4
325.61209	1.7
329.21060	3.9
379.71732	1.8
391.26401	4.5
393.26923	1.8
403.46225	2.0
409.27338	36.6
410.27954	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	6.8
56.05035	22.3
57.03446	0.6
58.99582	1.8
59.04999	4.7
61.01149	0.7
61.04042	2.8
67.05501	1.3
69.03420	1.4
69.69338	4.0
72.08157	22.5
82.06571	1.5
83.61835	0.6
84.04497	2.8
84.08144	21.6
85.02890	1.0
85.06532	0.7
86.09715	3.7
87.01964	0.8
88.02216	32.9
98.06044	2.3
98.20803	0.8
106.06567	4.3
115.08689	26.2
119.06063	2.7
127.03914	1.3
127.08678	73.9
128.09021	0.8
131.07045	3.9
132.04448	2.3
133.83636	0.7
134.02728	3.9
137.06004	1.3
141.06596	10.5
145.04924	0.7
148.44023	0.6
157.13361	100.0
158.13701	1.8
169.13365	33.4
178.98653	0.6
191.11821	1.5
212.51703	0.8
230.97433	0.7
246.10313	0.5
246.12387	26.5
276.17041	19.2
288.17059	51.3
289.17380	1.8
391.08197	0.8
409.19034	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	409.2737
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
51.21911	3.1
53.03943	7.7
53.05099	3.3
55.05507	16.5
55.13528	3.1
57.07072	8.8
65.03946	5.4
66.15997	3.0
67.05511	18.2
69.03442	5.5
69.07056	7.9
70.74400	6.7
70.74746	5.5
74.92465	3.1
77.03914	3.0
78.92361	4.0
79.05501	16.9
81.03387	3.2
81.07063	31.3
83.04992	9.5
85.06538	3.4
91.05486	34.2
93.07050	53.3
95.04980	49.9
95.08611	33.0
97.06525	10.5
103.05463	3.5
105.07038	100.0
107.08607	23.1
109.06509	9.9
109.10152	13.0
111.08073	5.2
115.05484	3.4
117.07001	14.3
119.08592	69.2
121.06541	17.6
121.10153	17.9
123.08060	22.2
128.06226	3.2
129.07033	7.8
130.07806	6.3
131.08568	24.4
133.06503	3.9
133.10152	16.9
135.08031	17.0
135.11655	4.0
135.81673	3.5
137.09621	6.5
141.07047	3.6
142.07765	11.2
143.08549	23.4
145.10114	43.5
147.08038	18.8
147.11707	37.1
149.09621	9.9
151.07541	27.9
155.08578	9.1
156.09370	7.5
157.10164	27.1
159.08113	7.5
159.11714	15.0
161.09691	9.7
161.13251	6.3
163.11143	4.2
165.09119	42.6
167.08662	4.3
169.10152	10.9
170.10898	3.6
170.82214	3.6
171.11717	13.0
172.08914	3.4
173.09650	5.9
173.13300	7.9
175.11177	17.2
177.09103	7.2
183.11665	16.8
185.13289	5.0
187.11098	6.5
187.14839	5.9
189.12787	7.7
195.11736	7.1
197.13211	3.7
201.12831	11.2
203.14282	13.0
207.11935	3.5
207.13892	9.6
209.13353	5.5
211.14862	9.0
219.13948	5.2
221.13348	5.6
221.15356	69.4
229.15880	7.8
231.13965	4.8
234.13646	3.6
234.16194	9.4
286.19336	5.3
287.20123	10.6
300.20755	3.8
391.26263	6.3
400.45547	3.6
409.27310	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	409.0903
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	13.9
67.26588	6.8
71.48952	9.4
74.16797	6.2
84.96040	10.1
89.10160	7.5
95.06114	17.0
97.06481	8.6
98.20900	6.3
98.97581	45.8
105.07047	8.8
107.07333	8.3
110.97578	11.8
112.99092	7.3
116.98607	12.6
122.09661	55.6
123.54475	6.9
136.07573	18.5
143.00139	8.1
145.12189	9.3
148.07628	11.9
150.09134	16.0
157.13341	14.6
157.93465	7.1
166.08676	7.6
179.03795	29.5
194.08095	18.3
219.01781	38.1
221.04816	29.2
237.02783	37.0
261.08615	10.6
323.07986	100.0
341.09106	63.9
365.09473	27.4
383.10300	9.1
409.09027	66.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.8
55.05515	37.1
56.05029	3.2
56.05853	11.9
58.99588	23.2
59.04576	1.2
59.99911	2.7
60.99152	2.4
61.01151	1.9
70.06593	2.3
71.48710	2.0
73.01134	2.4
76.02231	9.4
76.03992	3.8
78.01817	1.9
81.03424	1.4
81.07051	2.9
82.07401	2.1
83.06079	2.0
83.08622	42.4
84.04506	29.3
84.08958	20.6
85.01144	1.5
85.02895	2.5
85.04845	7.5
86.09702	2.3
86.99049	14.0
87.99394	3.1
88.02201	4.4
88.98611	1.6
99.05589	1.4
101.09618	1.8
105.00105	1.7
116.01682	63.3
117.02066	19.1
118.01268	3.7
121.02871	4.0
123.04387	1.8
124.81596	1.1
129.06578	2.6
130.04996	6.8
130.07710	1.8
131.05283	1.5
137.05963	3.8
139.59653	1.3
142.03212	4.2
142.07683	2.1
143.03526	2.0
144.01147	28.3
145.01503	13.0
145.06113	2.0
147.04459	2.2
156.74986	1.3
159.08386	33.5
160.08728	24.4
161.05893	1.6
162.02216	100.0
163.02577	47.2
163.03928	1.8
164.01711	7.0
171.02843	1.3
176.11053	2.5
177.05518	2.8
177.11359	4.0
185.05836	1.4
193.59804	1.2
213.08952	1.6
229.08598	1.7
247.06033	1.6
261.10815	3.9
262.11090	31.6
263.11423	52.4
279.13754	9.0
280.14050	17.1
295.06244	1.4
325.07114	1.9
333.14713	1.6
334.15244	10.3
370.04407	1.5
391.08142	3.1
391.19174	1.9
409.09650	3.3
409.18649	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	407.3673
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
53.03939	2.6
55.05511	13.4
57.07069	7.6
59.16475	1.6
67.05509	18.7
69.06738	1.9
69.07075	22.9
69.91138	7.0
71.08628	2.6
79.05510	11.7
81.06589	3.3
81.07057	50.6
83.08614	11.9
89.06039	2.5
91.05483	13.2
93.07049	45.1
94.45341	1.9
95.08608	75.9
97.10159	10.7
105.07038	28.2
107.08599	37.3
109.10161	37.5
111.11725	3.6
113.00039	11.3
117.07036	6.2
119.08580	26.5
120.03392	1.7
121.10160	28.7
121.40850	1.7
123.11716	20.8
129.07024	2.7
131.08571	13.1
133.10146	19.2
135.11702	20.9
137.13260	19.1
143.08588	4.8
145.10130	18.5
147.11708	21.6
149.13272	23.3
151.14799	2.5
157.10184	6.9
159.11700	25.3
161.13287	11.5
163.14818	14.9
169.02609	11.6
171.11761	6.5
173.13300	12.6
175.14833	8.3
177.16429	10.1
185.13304	5.4
187.14886	10.2
189.16397	8.8
191.17949	10.1
199.14896	6.7
201.16377	16.7
203.17952	23.3
203.19508	2.0
213.16447	4.7
215.17950	11.4
217.19527	10.9
227.18039	5.0
229.19591	5.6
231.21124	3.4
239.18073	1.7
239.20630	1.8
241.19492	4.1
243.21188	7.3
245.22728	6.0
255.21062	8.0
257.22742	7.0
269.19714	2.8
269.22583	15.0
271.24139	1.7
276.72360	1.8
283.24405	6.4
297.25934	6.8
309.25909	3.9
311.27145	2.1
323.27402	2.0
337.29373	1.9
349.61246	1.8
380.69507	1.8
389.31940	1.8
399.51471	1.9
407.31903	5.0
407.36887	100.0
408.36987	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	408.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.5
56.96577	0.6
59.00772	0.8
68.75756	0.6
69.03409	0.9
70.06573	0.9
70.49421	2.3
72.08134	1.9
85.07662	0.7
89.04272	5.9
91.05463	1.0
114.96239	0.7
120.08061	0.8
128.21609	0.6
131.05469	1.3
131.06398	19.0
135.04373	0.6
137.05957	2.0
138.06303	1.0
160.07574	1.6
173.11098	100.0
288.85596	0.6
380.52496	0.7
391.12167	0.9
408.17169	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.8
55.01870	7.9
55.05502	12.3
55.29781	2.0
57.03427	6.2
57.07084	4.0
61.02925	6.1
67.05495	3.0
68.99790	3.2
69.03436	30.0
69.07075	48.1
71.04980	3.8
71.38138	5.3
73.02911	6.3
74.24533	2.2
81.03432	25.5
81.07056	3.2
83.05003	2.1
83.08623	14.9
85.02912	100.0
87.00317	2.6
87.00834	42.2
90.49383	1.9
91.05499	3.7
97.02904	37.2
97.06571	10.0
99.04474	12.5
105.01878	73.0
108.04477	4.4
109.02888	29.2
111.01583	1.9
111.54368	1.9
117.01832	2.6
119.04926	2.4
127.03928	78.4
129.01833	2.8
137.05969	14.7
145.04973	41.7
147.02847	2.4
159.02942	14.7
189.03883	2.3
213.03964	2.8
231.05058	23.7
231.46049	2.0
233.11789	3.4
247.35336	2.4
249.06071	8.2
278.00400	2.1
316.73428	2.7
323.87045	2.1
346.23459	26.8
390.26141	3.8
408.26328	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	407.3673
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
55.05519	21.2
57.03437	3.5
57.07079	12.7
65.03951	2.6
67.05510	31.6
69.07070	58.4
69.58366	13.8
70.06593	3.4
71.08628	5.9
79.05503	18.8
81.07059	94.3
83.08631	19.2
86.52185	2.4
89.06048	7.3
91.05465	16.2
92.50047	2.6
93.07046	37.6
95.08614	89.3
97.10173	9.3
105.07025	37.2
107.08591	48.2
109.10161	61.8
111.11702	7.2
113.00021	45.5
117.07013	9.7
119.07828	3.0
119.08595	38.6
121.10152	39.1
123.11698	27.4
129.06989	4.9
131.08578	16.3
133.10115	25.4
135.11696	28.4
137.13281	13.8
141.10205	7.5
142.07724	3.3
143.08517	12.7
144.09402	4.5
145.10144	26.5
147.11711	24.6
149.13277	20.4
151.14783	3.9
155.08519	2.6
157.10121	15.9
158.10928	3.2
159.11691	33.8
159.12869	3.1
161.13261	24.4
163.14830	11.3
165.16406	2.8
169.02621	44.2
169.10187	7.8
171.11707	13.5
173.13258	34.5
175.14845	19.5
177.16388	11.6
183.11743	5.2
185.13220	16.3
187.14806	18.8
189.16364	14.9
191.18037	5.9
197.13376	3.5
199.14844	8.2
201.12782	9.7
201.16360	19.8
203.14268	5.8
203.17979	15.9
205.19525	3.2
211.14859	5.5
213.16357	15.2
215.17868	14.2
217.19450	7.2
225.16438	4.7
227.17976	17.1
229.19545	12.3
229.73384	2.9
231.21094	7.5
238.77840	2.7
241.19566	8.8
243.21042	3.6
255.21101	8.9
257.22723	5.7
259.24194	3.4
269.22586	12.6
271.24091	4.8
283.24173	8.4
297.25745	9.4
311.27271	3.3
323.27444	4.6
325.28882	4.1
337.28815	2.9
351.30496	5.5
379.33575	5.2
407.32825	21.2
407.37222	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.4
55.05515	16.4
57.03423	4.4
57.07078	15.8
67.05507	24.7
69.06731	3.3
69.07072	38.0
71.08634	9.1
71.49532	4.4
79.05501	17.4
81.06596	3.8
81.07059	66.9
83.08626	14.2
89.06002	4.3
91.05503	13.4
93.07045	35.1
95.08615	79.7
97.10167	7.9
105.07043	30.4
107.08604	40.2
109.10167	47.1
111.11719	3.6
113.00025	60.7
117.07023	4.7
119.08578	31.1
121.10153	34.4
121.10956	3.7
123.11701	30.3
125.11558	1.9
128.06256	2.1
129.06973	4.4
131.08577	16.4
133.08606	3.0
133.10146	26.5
135.11691	22.4
137.13263	15.1
143.08556	10.9
145.10132	24.9
147.11702	19.8
149.13277	21.3
151.14751	2.8
155.08531	3.2
157.09010	2.2
157.10133	13.0
159.11710	23.3
161.13277	17.8
163.14789	16.2
169.02614	61.8
171.11736	11.7
173.13286	18.0
174.50131	2.5
175.14801	13.4
177.16371	13.3
183.11670	2.8
185.13255	8.9
186.14024	2.9
187.14819	13.9
189.16399	15.9
191.17946	15.9
197.13322	4.0
199.14769	11.3
201.12772	2.3
201.16397	15.3
203.14272	3.4
203.17986	14.3
205.19521	2.6
211.14757	3.2
213.16322	11.7
215.17979	13.2
217.19528	8.0
225.16254	2.9
227.17964	7.5
229.19557	8.9
231.21014	4.0
239.18079	2.5
241.19406	5.7
243.21065	5.3
245.22650	3.9
253.19713	3.4
255.21100	11.4
257.22598	7.4
269.22620	8.5
271.24231	3.4
283.24173	6.3
297.25867	4.0
309.25800	3.4
311.27209	3.4
325.28970	3.9
337.28662	4.0
351.30597	3.8
389.32208	3.8
407.32791	21.3
407.36737	100.0
408.37128	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	407.352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53466	1.8
55.05499	5.0
57.07078	13.5
63.76202	1.4
65.03931	3.2
67.05500	35.1
69.07065	13.0
69.16097	1.5
70.94314	3.4
71.04980	1.9
71.08624	6.5
79.05485	4.4
81.07064	15.1
83.08626	6.5
85.10201	3.8
88.11704	1.5
89.06016	3.6
91.05461	3.2
93.07062	9.8
95.04972	12.1
95.08608	21.1
97.02840	1.6
97.10171	5.3
99.04456	9.1
105.07017	7.9
107.04961	2.3
107.08594	9.4
109.10177	12.5
111.11739	2.6
113.00011	16.4
113.05981	3.8
119.08572	10.1
121.10149	9.5
122.87523	1.5
123.04424	17.4
123.11701	7.8
125.06030	7.5
129.06918	2.2
131.08546	4.3
133.08650	1.9
133.10150	7.4
135.11670	5.8
137.09610	2.2
137.13255	5.3
139.07536	4.0
141.05464	100.0
143.08536	2.6
145.10135	6.0
147.01010	1.6
147.11626	4.6
149.13257	5.1
151.11142	1.8
159.11679	6.0
161.13278	3.9
163.14819	4.8
169.02589	13.9
169.56412	1.7
171.11743	1.8
173.13261	4.2
175.14792	3.5
177.16464	2.9
185.13263	3.0
185.30209	1.7
187.14793	2.8
189.16335	3.3
191.17932	2.6
199.14822	3.7
201.16418	5.6
203.14211	2.7
203.17897	2.7
213.16475	4.8
215.17899	4.5
227.17824	2.5
229.19463	2.4
231.15392	1.9
243.21078	2.6
255.21117	2.1
257.22601	2.4
269.22684	6.6
325.51025	1.6
347.32999	2.9
389.34100	10.1
407.36057	47.4
420.16296	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3671
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
55.05510	9.8
57.07066	6.3
61.64280	2.0
67.05521	10.5
69.07068	28.3
69.54672	15.6
79.05506	4.6
81.07066	39.7
83.08629	9.0
91.05493	7.2
93.07063	12.6
95.08609	52.9
95.09182	3.7
97.10166	5.9
105.07042	15.0
107.08596	21.6
109.10155	31.3
111.11771	3.8
113.00026	2.9
117.06992	2.6
119.08604	26.1
121.10147	18.2
123.11724	21.2
125.13280	3.1
131.08565	15.1
133.10147	18.6
135.11713	12.9
137.13274	15.7
142.07834	3.0
143.08560	7.3
145.10130	19.7
147.11679	14.5
149.13287	13.0
151.14832	3.1
157.10127	15.2
159.11716	16.2
161.13284	8.1
163.14856	8.8
171.11670	16.3
173.13271	14.2
175.14877	8.5
177.16417	6.5
184.12494	3.1
185.13271	13.1
187.14836	10.0
189.16399	6.5
191.17964	7.8
197.13307	8.5
199.14886	12.1
201.16466	6.8
203.18016	6.4
205.19646	3.1
211.14932	3.4
212.15611	19.6
213.16385	33.2
215.17995	8.0
217.19524	7.5
226.17189	3.9
227.17996	10.1
229.19464	11.4
241.19453	13.2
243.21066	15.9
244.43942	2.6
255.21117	66.9
257.22675	12.4
269.22638	42.4
271.24210	3.9
283.24213	14.7
309.25824	3.5
311.27319	2.5
337.29047	2.7
351.30679	3.7
407.36801	100.0
408.37329	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	407.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29349	0.4
55.05512	0.9
57.03440	4.5
57.07076	7.0
67.05504	2.1
69.07070	1.1
70.27537	1.3
71.08630	4.1
79.05492	0.5
81.07043	3.2
83.08616	1.8
85.10178	2.0
91.05467	0.5
93.07052	0.5
94.98978	0.6
95.08604	3.6
97.10160	0.5
105.07041	0.8
109.10159	2.0
113.00018	100.0
119.08569	0.6
123.11694	0.6
133.10103	0.3
137.13274	0.3
139.01553	0.7
151.01524	0.6
157.10172	0.4
159.11633	0.4
166.23868	0.3
169.02614	90.5
170.03041	0.6
231.38033	0.4
239.23795	0.5
269.76855	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29622	0.4
53.87354	0.4
55.86012	0.4
67.77085	0.5
69.35479	1.9
69.35905	2.0
73.54565	0.4
76.72684	0.6
79.05479	0.6
89.93801	0.4
98.20694	1.0
133.72723	0.5
138.44614	0.5
144.09109	0.4
147.06752	0.4
149.25153	0.4
153.12721	0.4
171.00548	4.9
185.04202	4.1
189.01634	0.7
191.09601	0.5
221.25230	0.6
245.07858	100.0
246.08192	1.3
344.22055	1.1
345.22507	5.8
362.23184	0.6
363.23560	1.8
389.25146	0.8
407.13135	35.0
407.26053	2.0
408.13406	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	15.5
55.01865	14.7
55.05512	29.8
57.03434	13.3
57.07071	16.2
59.04994	8.6
66.78793	5.1
67.05508	36.3
69.03435	90.9
69.07076	31.1
71.04659	5.1
71.04996	35.9
71.49978	9.9
79.05505	45.1
80.62744	5.1
81.03426	85.0
81.07067	87.3
83.04968	23.3
83.08626	6.5
85.02912	36.3
85.06529	8.9
85.59141	5.7
91.05498	55.8
93.07048	82.6
95.01323	17.3
95.04993	30.4
95.08615	72.8
97.02890	17.4
97.06535	21.5
99.04458	18.9
99.08089	18.0
105.07040	100.0
107.04979	10.1
107.08599	69.1
109.02850	5.9
109.06566	27.2
109.10151	31.6
111.04449	8.5
111.08066	12.3
115.03890	7.0
117.07008	18.8
119.04951	6.8
119.08594	75.0
121.06532	11.5
121.10161	62.0
123.08061	19.8
123.11697	21.8
125.09634	15.3
127.03932	15.4
127.07569	30.6
128.06236	6.8
129.07016	18.2
131.08586	30.6
133.06456	12.8
133.10130	64.2
135.08069	10.4
135.11697	23.5
137.05901	5.6
137.09628	21.9
139.11153	10.0
141.06950	8.7
142.07776	15.4
143.08585	19.9
145.04967	9.3
145.06464	15.4
145.10127	49.9
147.08078	7.9
147.11682	56.0
149.09563	6.4
149.13251	31.8
151.11165	6.0
153.09073	11.0
155.08543	12.0
156.09337	13.5
157.10152	46.8
159.08038	16.8
159.11717	41.9
161.09605	13.9
161.13293	16.0
165.09152	6.7
167.08530	5.8
169.10155	20.4
171.08069	14.5
171.11662	35.3
173.09619	12.6
173.13254	23.8
175.11198	36.6
177.11140	7.8
177.12773	10.8
182.10948	7.4
183.08014	7.3
183.11713	15.2
185.09619	9.2
185.13280	13.8
187.06097	30.8
187.07492	6.6
187.11195	20.2
187.14801	17.9
188.61917	6.0
188.80977	6.2
189.12772	7.9
189.16376	10.2
191.10686	7.0
191.14348	10.5
197.09656	6.7
197.13248	9.3
199.11223	11.9
199.14899	8.2
201.12776	8.4
201.16396	15.9
203.18015	14.3
205.15933	6.0
206.11235	7.1
207.11757	7.7
209.11684	7.1
210.10361	7.7
213.12833	6.6
213.16400	6.8
215.14328	7.3
215.17979	10.4
219.17380	7.1
221.18987	7.6
223.14801	6.7
225.12828	42.6
231.17384	10.9
233.18887	9.4
239.14304	11.4
241.10564	6.3
241.15695	7.3
243.13788	12.6
243.17439	9.3
257.15262	6.9
259.13339	7.6
261.18488	18.8
279.19519	8.9
287.20078	6.2
311.20142	20.8
329.21124	19.4
345.22464	42.2
389.23868	11.1
407.24753	54.6
408.25287	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	406.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52427	10.8
56.02315	8.4
57.03438	8.7
58.99582	9.2
59.98896	11.3
69.07046	14.4
71.17841	8.5
76.02197	10.3
81.07050	21.9
81.16270	9.1
84.08149	22.9
85.02897	22.1
86.47798	10.7
89.03918	11.9
91.05469	19.1
93.07034	10.1
95.04976	14.1
98.21553	16.5
105.07041	25.6
107.08598	38.0
116.01698	14.6
117.03360	11.3
117.07052	9.1
120.93544	9.8
121.06515	11.4
121.10139	12.6
122.06839	11.1
133.10109	100.0
135.04430	25.2
136.04723	10.3
137.05898	9.7
137.09602	25.1
145.02818	19.7
148.35345	11.1
158.00024	13.1
162.02202	20.4
163.03906	85.0
164.04251	52.9
173.13329	24.4
182.48087	9.5
189.03357	9.3
189.05421	8.9
191.14226	47.8
259.11182	30.8
344.13611	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.259
Annotation	Leuconine
Peak:m/z	Relative Intensity
55.05506	0.6
66.32355	0.3
67.05475	0.7
69.03411	0.5
69.07037	0.7
69.35241	2.5
69.35661	0.6
79.05464	0.8
81.07034	0.7
83.04988	0.5
87.27414	0.4
93.07000	0.9
95.08597	0.9
97.06549	1.9
101.47899	0.3
101.80166	0.4
110.09662	0.4
115.89074	0.4
118.06509	0.4
119.04942	0.4
129.06990	0.3
137.05956	0.5
139.11198	2.0
143.08556	0.4
145.06438	0.4
146.06009	1.4
147.06802	10.8
147.07881	0.4
148.07550	1.1
148.11205	0.5
158.09686	0.6
159.08058	0.9
160.11195	0.7
161.05911	0.5
162.05544	0.6
163.06287	0.5
164.07031	1.0
171.08138	0.4
173.09685	0.5
174.09117	0.4
175.07588	0.3
176.07086	4.9
176.10725	4.9
177.07864	5.0
177.09268	0.3
185.09650	0.4
187.07597	0.8
188.10641	0.7
190.08629	0.5
191.09430	0.6
202.12265	2.8
204.10176	3.0
205.10991	1.5
206.11777	1.2
216.10252	0.6
218.15404	5.9
219.16026	0.4
230.11684	0.6
244.17070	0.5
246.14890	1.6
246.30008	0.3
247.15605	1.8
260.12766	0.7
272.20059	0.5
273.13574	2.8
300.16452	0.5
300.19586	2.3
302.17593	0.9
315.18314	9.3
315.21973	0.6
330.60544	0.3
344.22226	100.0
345.22592	3.0
362.23203	4.4
388.24838	13.8
389.25049	0.6
406.25894	23.2
407.26346	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.4
55.01852	12.8
57.03445	8.7
60.04507	5.8
61.02917	6.5
69.03434	30.8
70.06595	7.8
71.04980	6.9
71.47973	3.6
71.48385	4.9
73.02904	9.4
73.30450	3.0
81.03418	33.2
81.07051	4.9
84.04509	3.7
85.02907	100.0
87.00842	34.5
90.37948	3.4
91.03909	3.6
97.02882	36.4
99.04469	15.6
103.03918	3.6
105.01868	22.2
105.07704	2.9
108.04474	7.3
109.02873	41.0
116.01653	5.4
117.01820	4.6
124.03928	3.4
126.05589	5.9
126.31876	3.1
127.03915	57.5
129.01782	4.1
137.05946	11.0
139.03929	5.7
140.10704	7.2
141.05510	5.4
145.04959	33.9
147.04431	3.9
158.08189	4.7
158.11751	9.0
159.02904	25.5
165.05466	14.4
169.39392	3.2
177.05400	4.4
189.03932	8.2
207.06509	9.8
231.04836	15.9
248.07396	4.1
249.07756	6.1
259.11047	7.5
301.09885	3.1
406.14560	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	406.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.1
55.05518	1.4
56.05035	5.9
57.03436	6.1
57.70051	1.0
58.99586	12.8
59.99569	1.0
68.05019	1.1
69.07072	2.2
69.65281	3.7
73.01151	1.7
74.00674	1.5
76.02233	22.9
76.04005	2.3
79.05492	3.5
80.05029	1.3
81.07058	21.2
81.07529	1.5
83.06118	2.0
84.04509	28.8
85.01146	3.6
86.00648	4.7
86.99062	6.7
87.02696	5.6
88.02239	2.3
94.06616	1.0
95.08614	3.9
96.04472	0.9
97.01105	2.1
97.06539	1.7
98.09689	11.7
98.21499	1.5
99.05585	1.1
99.08094	5.2
102.05547	6.0
110.09650	1.8
112.03968	3.2
113.04263	5.7
116.00901	1.7
116.01682	24.2
118.64083	0.9
120.83228	0.9
120.84364	0.9
129.06592	2.6
129.07422	1.1
130.04988	7.5
130.06894	4.4
130.08652	1.7
139.05789	1.5
142.03207	3.1
144.01117	6.6
156.08444	21.2
156.10217	10.3
157.06828	8.6
159.39255	0.9
162.02216	24.8
174.09502	17.0
179.04834	10.7
187.05338	1.3
189.03448	0.9
210.11281	1.9
216.06902	6.1
233.06056	2.0
242.08554	1.1
245.05872	1.4
259.11124	100.0
260.11697	2.0
277.12024	1.0
285.12720	1.6
308.09262	1.2
313.12244	4.2
331.13281	8.6
388.15189	1.4
389.13531	1.5
406.16489	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	8.1
56.96551	2.9
70.06576	6.1
71.47851	3.0
71.48238	2.6
81.03405	7.4
81.52381	2.4
83.72736	2.7
87.04440	2.5
97.02882	6.8
103.99857	2.6
107.04978	3.2
118.30023	2.8
123.04408	11.4
127.02934	2.9
131.88907	3.0
135.00719	2.7
136.06187	2.9
137.05905	2.7
138.78696	2.8
141.06987	10.0
147.04375	8.1
149.02455	3.1
149.05933	3.6
155.08543	8.3
163.03905	6.7
164.42870	3.0
165.07013	21.5
169.06487	11.1
175.03911	4.9
177.05460	4.1
181.06488	5.8
183.08080	8.5
187.03952	3.9
187.07500	9.2
193.06480	22.9
195.08037	5.7
197.05971	24.1
201.09215	3.3
209.06015	4.5
211.07556	38.2
213.05525	6.7
215.07024	11.6
221.05978	48.1
223.07516	4.9
225.05431	36.7
227.07066	3.3
229.08597	7.1
237.05434	7.8
239.07030	58.6
239.19173	2.7
241.04965	13.6
242.05733	3.6
243.06558	31.5
249.05505	42.7
253.04982	43.2
254.05525	3.3
255.06421	3.7
257.08145	14.3
265.04935	7.6
267.06537	86.8
268.07053	4.1
270.07675	9.3
271.03113	5.9
271.06027	100.0
277.04941	30.2
285.07648	27.3
295.06052	32.1
299.09192	3.8
303.08713	14.9
309.07571	12.7
311.05457	8.7
312.08670	10.7
313.07092	83.7
317.10153	5.2
319.11404	3.0
327.08633	80.0
344.11450	5.8
345.09662	57.5
357.06052	9.2
362.08051	4.8
362.12317	70.6
371.07706	6.5
406.11197	54.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2638
Annotation	7alpha,12alpha-Dihydroxy-3-oxochol-4-enoate
Peak:m/z	Relative Intensity
53.03941	10.0
55.01874	17.0
55.05513	38.9
57.03432	9.0
65.03919	4.3
67.05179	5.8
67.05508	70.5
69.03425	31.5
69.07074	34.2
69.75140	3.4
71.04977	9.5
79.05498	61.4
80.53424	3.6
81.03427	28.6
81.06595	5.7
81.07056	91.2
83.04989	18.1
83.08620	12.6
85.02891	12.2
85.06542	5.1
91.05487	77.0
93.06490	5.2
93.07047	74.7
95.04963	16.3
95.08608	65.0
97.02876	15.6
97.06538	14.4
97.10165	8.2
99.04472	6.1
102.84796	3.3
103.05441	4.4
105.07038	81.5
107.04962	8.7
107.08593	50.9
109.02838	3.5
109.06520	12.5
109.10162	25.2
111.04426	15.0
115.05482	6.8
115.45227	3.8
117.07011	42.4
117.07780	4.8
119.04972	3.7
119.08590	60.1
121.06517	10.0
121.10150	31.3
123.04448	6.5
123.08064	7.9
123.11715	10.9
128.06232	7.6
129.07010	32.1
131.04921	5.1
131.08572	51.2
133.06488	13.6
133.10132	41.7
135.08069	10.3
135.11699	20.5
137.05980	5.4
137.09641	5.9
139.11136	4.2
141.07005	9.6
142.07787	4.9
143.08553	30.6
145.06503	9.8
145.10117	49.0
146.07336	3.3
147.08070	5.9
147.11719	27.2
149.05908	4.1
149.09599	7.3
149.13226	9.7
151.07527	5.5
155.08542	11.5
157.06467	7.0
157.10132	20.3
159.08026	11.2
159.11702	33.8
161.09648	9.4
161.13257	12.8
162.26526	4.0
163.11186	10.7
163.14793	4.4
165.09117	5.1
169.10139	14.8
171.08066	6.4
171.11688	22.0
173.09593	5.8
173.13239	24.0
175.11235	4.4
175.14824	9.6
177.09050	5.2
177.12653	5.9
181.10168	4.4
181.12125	3.6
183.07983	4.7
183.11674	10.7
185.09650	6.3
185.13286	11.3
187.11214	8.0
187.14857	8.0
189.12730	6.6
195.11630	4.9
197.13229	10.8
199.11282	4.9
199.14774	8.7
201.12711	5.4
209.13298	7.1
211.11227	3.8
213.12808	5.3
271.20465	8.4
273.22110	8.4
275.20258	4.7
277.21561	9.1
285.22183	5.8
287.20233	4.0
289.21548	9.8
291.23322	5.2
299.20035	4.9
301.21634	15.4
303.23056	12.4
313.17648	3.4
313.21414	3.9
315.23242	17.5
319.22781	7.7
327.23135	9.9
331.22580	7.6
332.58783	3.9
341.24762	14.0
345.24231	10.3
351.23160	15.6
359.25803	7.1
369.24225	59.1
377.26706	4.3
387.25330	45.6
405.21304	5.2
405.26413	100.0
406.26578	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	405.2636
Annotation	Stolonoxide E
Peak:m/z	Relative Intensity
51.02382	2.5
53.03946	11.0
55.01873	13.5
55.05268	3.0
55.05515	36.0
57.03432	7.2
57.07059	3.9
65.03944	5.2
66.78948	1.8
67.05508	76.4
68.99868	1.6
69.03433	29.5
69.07072	25.0
69.32104	14.7
71.01361	3.6
71.05006	10.6
73.02922	3.8
75.14535	1.7
79.05027	2.9
79.05492	67.5
81.03416	25.5
81.07059	77.0
83.04972	14.5
83.08620	11.5
85.02895	8.4
85.06528	5.7
91.04905	3.8
91.05482	75.2
92.63304	1.7
93.07046	68.1
95.04985	15.0
95.08612	50.5
97.02890	9.7
97.06523	9.5
97.10176	5.6
98.21510	4.0
99.04462	7.5
103.05466	6.7
103.18314	1.8
105.04533	2.5
105.07034	91.0
106.97212	2.3
107.04980	8.6
107.08603	42.8
109.02888	6.2
109.06525	10.5
109.10153	22.8
111.04433	14.3
111.08096	4.2
112.25191	1.7
115.03876	1.9
115.05487	7.3
116.06255	3.9
117.07024	40.4
119.08580	60.5
121.06509	9.5
121.10139	29.9
123.04454	4.8
123.08087	6.2
123.11723	6.5
125.09673	3.3
127.03893	4.4
128.06224	11.2
129.05498	5.1
129.07013	23.8
130.07774	4.4
131.08577	47.5
133.06448	10.7
133.09137	3.0
133.10132	40.7
135.04393	3.2
135.08037	11.1
135.11699	20.7
135.93449	2.0
137.05984	2.2
137.09624	4.4
139.11217	3.9
141.06999	7.5
142.07817	5.2
143.08575	25.2
145.06500	7.3
145.10127	42.5
147.08017	10.9
147.11697	27.3
149.09644	6.6
149.13246	12.5
151.07516	2.9
153.09094	2.5
155.08562	10.7
156.09358	2.1
157.06525	4.6
157.10130	20.2
159.08081	6.6
159.11707	32.4
161.06085	2.9
161.09659	7.7
161.13257	9.6
163.07706	2.1
163.11174	4.8
163.14798	4.2
165.06975	2.7
165.09190	3.0
165.12758	2.5
167.08614	4.7
169.10118	12.1
171.08081	8.4
171.11691	19.1
173.09711	6.5
173.13274	21.0
175.11249	9.0
175.14864	5.2
177.12735	2.9
181.10074	4.3
183.08121	2.8
183.11688	10.3
185.09639	4.0
185.13214	13.9
187.11281	6.1
187.14838	9.2
189.12782	6.1
191.14366	2.8
193.10181	2.9
195.11787	6.0
197.09624	4.4
197.13297	6.9
199.11218	3.8
199.14804	10.9
201.12823	6.2
201.16412	3.6
203.14325	4.9
207.13817	2.1
209.13316	4.1
211.11266	2.5
211.14857	5.0
213.16426	4.3
215.14421	3.6
217.12404	2.1
217.15858	2.1
221.13200	3.7
227.14395	2.2
229.16019	1.9
231.17418	2.4
235.16786	2.4
239.14345	2.1
241.15822	3.4
241.19571	3.8
249.12662	4.8
255.21046	1.9
257.15289	1.9
257.19196	2.6
259.20706	9.1
261.22125	3.1
267.21268	2.3
271.17239	2.1
271.20657	5.7
273.18890	2.1
273.22208	6.9
275.19882	2.4
277.21707	9.4
283.20593	2.6
285.19110	1.8
285.22223	7.6
287.20090	2.0
287.23776	2.1
289.21576	11.8
291.23151	7.3
297.22189	3.2
299.20248	2.7
299.23566	1.9
301.18549	2.6
301.21588	15.4
303.23328	7.5
313.21719	6.9
315.23206	13.2
317.24710	3.4
319.22604	8.3
323.23691	2.8
327.17319	4.3
327.23187	8.3
331.22711	5.8
341.24756	15.7
345.24350	7.8
351.23178	15.3
356.18591	1.8
357.24539	2.6
359.26447	2.3
369.24246	53.4
387.25345	49.5
387.29309	1.3
405.22046	10.3
405.26477	100.0
406.27029	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	405.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
55.01872	5.4
55.05511	10.8
57.03434	6.0
57.07074	3.0
67.05511	6.1
69.06692	0.8
69.07069	10.8
70.99466	0.8
70.99801	1.2
71.08635	1.9
73.04698	0.6
79.05500	4.5
81.07050	6.9
83.08614	10.1
93.07048	4.8
95.08624	5.1
97.06538	2.1
97.10184	6.6
103.92625	0.7
105.07076	1.0
107.08581	3.2
109.10170	1.9
111.08078	1.4
111.11726	2.0
113.00020	100.0
121.10149	5.1
123.11704	1.0
135.11691	2.0
137.13290	1.0
140.43605	0.6
146.81256	0.6
149.13263	1.1
169.02615	94.8
219.21030	1.2
237.22142	6.7
330.86105	0.7
349.13574	1.1
405.20407	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	405.1689
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19381	2.3
56.94137	2.3
57.03405	2.4
58.99594	22.6
62.57957	2.4
67.05508	2.8
69.98100	10.5
69.98444	4.3
71.04991	5.1
75.26859	2.4
76.02243	4.8
78.21642	2.6
79.05491	12.1
81.07047	4.4
84.04524	4.5
86.99046	10.0
88.02219	3.6
91.05480	20.7
93.07056	12.2
95.04988	4.5
97.01109	2.6
105.07040	12.9
107.08634	5.7
115.05465	3.9
116.00888	2.3
116.01674	59.0
116.06212	3.0
117.07006	12.4
119.08585	5.9
121.06508	8.9
121.10152	4.4
129.06976	7.6
130.05049	4.0
130.07767	4.2
131.08565	90.5
131.09546	5.0
135.11726	3.3
137.05963	4.8
139.03894	7.9
139.07559	2.6
140.04266	4.8
143.08585	7.9
144.01143	23.6
145.02966	3.1
145.10124	57.1
147.07976	2.6
149.05943	2.6
149.09605	13.7
151.05771	3.3
162.02208	100.0
163.03934	6.6
163.11172	7.5
173.09625	5.4
191.10628	40.7
209.11778	6.2
215.57581	2.7
224.07434	8.3
225.07738	7.1
239.07376	2.9
241.08929	40.3
259.11224	5.7
266.12134	3.7
276.49017	2.7
284.13019	3.9
294.11618	11.0
352.12115	4.6
370.13290	22.9
387.15848	15.3
405.11981	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	405.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66703	4.0
56.21255	4.4
58.99590	20.4
60.04514	4.0
69.03426	8.7
69.85289	3.7
70.06575	6.3
71.05007	4.7
71.07149	5.8
71.07494	7.8
72.08158	7.1
76.02226	5.5
79.05502	8.7
81.03403	3.7
85.02899	4.3
86.99061	13.1
88.02202	4.7
91.05491	19.5
93.07047	12.5
95.04973	3.9
97.02930	5.0
99.02647	5.5
102.29799	3.8
105.07029	15.5
107.04962	4.5
107.08560	6.7
111.26028	3.8
116.01683	51.5
117.07023	7.0
119.08601	8.6
121.06519	11.7
127.04014	4.3
129.07027	6.4
130.07793	8.8
131.08577	92.9
132.89804	3.6
135.11729	4.2
137.06004	6.8
143.08620	9.3
144.01178	26.7
145.10120	55.6
149.06027	6.5
149.09587	9.7
157.08357	5.3
162.02206	100.0
163.03943	9.5
163.05667	3.9
163.11197	10.5
173.09793	4.7
185.07872	4.5
189.09138	3.9
191.10649	41.9
195.22829	4.2
209.11728	7.7
241.08968	35.5
241.32825	5.0
266.12158	5.7
286.10785	6.6
294.11627	10.4
318.13226	4.4
319.13620	13.1
344.93045	4.4
352.12250	5.7
361.10849	5.0
361.14548	42.7
370.13202	23.0
373.62341	4.1
387.15964	13.7
405.13501	82.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67356	2.3
53.28857	2.3
55.01871	3.1
55.05507	3.1
58.99594	17.7
65.07841	2.2
66.92426	2.8
67.05505	4.5
69.03417	6.6
70.06602	7.0
71.04984	16.4
71.48736	2.7
72.08156	5.7
73.01125	2.7
76.02239	12.3
76.04010	4.9
76.51271	2.4
79.05486	6.8
81.03423	3.1
81.07051	5.1
83.04974	3.4
85.02918	5.8
85.06540	4.8
86.09702	2.9
86.99061	14.5
91.05499	16.6
93.07028	11.4
95.04940	5.0
105.07063	14.2
107.04951	5.5
107.08571	7.6
116.01693	58.4
117.07020	10.3
119.08588	9.3
121.06512	8.1
121.10174	4.5
127.03913	3.3
129.07019	6.9
130.04996	2.5
130.07777	3.1
131.08577	82.1
133.10080	3.9
137.05978	4.7
139.03911	7.0
139.07544	4.8
141.07002	3.3
143.08592	5.6
144.01166	22.3
145.06378	3.3
145.10139	49.4
147.08064	3.7
147.11685	3.3
149.06018	3.3
149.09599	14.0
161.09590	2.8
162.02217	100.0
163.03925	12.3
163.11186	9.5
173.09671	13.5
177.07288	3.7
179.04893	6.9
189.09160	4.4
191.09026	3.9
191.10696	50.8
199.51788	2.9
209.11719	10.8
224.07520	3.8
225.07701	6.9
233.06093	2.7
241.09019	26.3
242.80370	2.4
259.11060	3.9
263.62350	2.7
266.12082	4.1
280.72278	2.6
289.50885	2.5
294.11655	7.2
319.13867	3.5
361.14694	13.1
370.13321	16.2
387.15997	9.7
405.13193	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.6
55.01881	2.2
55.81540	1.6
55.90496	2.2
57.03446	2.9
65.03933	3.1
67.05501	5.8
69.03425	7.5
70.11961	8.1
71.04961	2.2
71.55519	1.8
72.45363	1.9
79.05467	4.5
81.03428	19.0
81.07079	3.4
85.02442	3.3
85.02911	45.4
87.00838	11.2
89.03912	9.5
91.05478	3.3
93.07042	2.6
93.48602	1.9
95.04979	19.3
95.75678	1.9
97.02895	53.3
98.97614	2.4
99.04406	2.7
105.01878	5.0
108.08130	7.2
109.02907	12.2
115.38893	2.1
117.03416	10.3
121.02866	8.9
122.06044	5.7
126.05537	3.5
127.03934	14.4
133.06557	2.9
135.04434	20.4
136.07570	8.2
139.03917	7.1
140.07056	14.5
145.02853	15.2
145.04965	6.9
152.07074	30.2
154.08583	3.3
163.03909	100.0
164.07062	13.9
166.52716	1.7
171.02913	9.6
178.08655	5.7
179.93507	2.5
181.04958	3.9
181.71449	2.2
182.08131	57.1
188.07222	2.0
189.03941	31.5
192.10216	2.9
202.08691	2.4
205.79108	2.2
206.08191	5.7
218.08177	11.7
220.09686	4.6
220.27567	2.0
231.04936	4.4
236.09227	15.4
248.06876	3.7
248.09212	46.6
266.10245	6.4
343.13348	5.6
361.10968	7.2
405.08267	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.4
55.01869	2.1
63.37213	1.9
65.03935	2.3
67.05495	4.0
68.99780	2.2
69.03436	11.2
70.12889	6.4
71.03473	2.0
79.05500	6.1
81.03413	8.1
81.07055	2.8
83.08624	2.0
85.02911	25.8
87.00382	1.8
87.00832	9.6
89.03903	6.3
93.72466	1.8
95.04967	14.8
97.02887	2.3
98.10031	1.9
105.01862	5.0
108.08111	4.2
109.02856	7.8
117.03372	14.5
121.02851	11.7
125.05963	2.1
126.05547	2.8
127.03899	11.7
135.04439	19.8
136.07591	3.7
139.03888	8.9
140.07030	5.2
145.02879	15.4
145.04961	2.7
152.07066	31.9
154.08653	3.2
163.03906	100.0
164.07088	10.4
178.08661	6.0
181.05046	4.4
182.08102	45.6
189.03925	6.1
192.10175	3.8
206.08203	7.4
207.03059	2.3
208.71358	2.3
220.09648	6.2
231.04979	3.0
241.84039	2.7
248.09175	45.3
308.10922	3.0
334.09174	5.9
360.75833	2.3
405.08118	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	404.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.3
63.39326	0.3
65.25893	0.3
67.05498	0.8
69.07053	0.3
71.03298	0.8
79.05490	3.0
81.07047	0.9
86.09699	0.3
91.05524	1.4
93.07053	0.4
94.06568	0.3
95.04988	0.3
96.08134	4.2
97.06503	0.5
98.09677	0.8
100.11239	0.3
103.05466	0.3
105.03403	0.5
105.07038	1.4
105.20662	0.3
107.04951	2.9
115.05450	2.3
117.07023	6.1
122.06045	0.3
124.07584	1.0
128.06258	0.5
128.10762	0.6
129.07004	1.9
131.08530	0.7
141.06960	1.1
143.04924	0.4
143.08562	2.1
145.06491	8.5
153.06992	0.4
155.04967	0.4
155.08548	2.0
157.06496	0.9
158.09698	0.4
159.08073	0.7
161.09631	0.4
165.07010	0.6
167.08546	1.1
169.06500	0.9
169.10147	0.9
170.09744	0.5
171.04411	4.2
171.08076	4.1
172.07634	0.4
173.06039	1.5
179.08553	1.7
180.09407	0.4
181.10139	0.5
183.08054	1.2
183.11638	0.6
185.06032	0.3
186.09160	1.6
189.05519	1.2
192.09418	1.4
195.11726	1.1
197.05988	2.8
197.13284	1.1
198.09134	0.5
203.92194	0.3
205.10190	0.9
207.11684	2.7
210.10365	0.3
212.14452	0.3
214.08640	22.3
215.08971	0.7
216.52826	0.3
223.11125	2.0
225.12688	1.6
226.08705	0.6
227.09616	0.3
233.09653	0.8
240.13869	0.5
250.12305	0.7
251.10716	1.2
268.13345	17.2
269.13702	0.7
300.15952	100.0
301.16345	3.5
386.23251	0.4
404.24255	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	2.9
67.05481	2.1
69.07102	2.0
70.24796	6.4
70.47481	1.7
72.19369	1.8
79.05505	2.3
81.07037	5.3
91.05508	3.2
91.57772	1.7
93.51235	1.8
95.08652	1.9
97.06567	2.6
105.07052	3.4
109.10172	2.2
117.07043	6.0
119.04922	2.3
119.08613	4.0
121.98782	1.7
123.26643	1.7
131.08565	1.7
143.08559	3.5
145.10149	5.6
148.64961	1.7
155.08574	4.0
173.06003	4.2
183.11684	3.0
216.10216	63.1
218.07896	1.8
253.12248	3.0
270.14890	27.4
286.34509	1.8
302.17514	100.0
402.23538	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1388
Annotation	Nobiletin
Peak:m/z	Relative Intensity
59.07665	0.2
67.08150	0.2
68.99776	0.9
69.03397	1.1
69.71720	1.3
79.05504	0.3
90.58075	0.2
98.20787	0.3
99.04420	0.8
103.71543	0.3
105.07029	0.3
110.22468	0.2
122.03690	0.3
127.03911	2.9
137.02348	0.6
139.00290	0.3
148.05202	0.4
149.02287	0.3
162.06711	0.7
163.07568	3.2
165.01868	0.8
165.05466	3.6
168.00546	1.0
169.01302	0.7
175.07539	0.3
183.02895	13.9
186.01546	0.5
191.07021	0.3
193.01369	1.2
197.00763	0.3
208.17131	0.2
211.02394	7.7
213.05403	0.3
215.07065	0.3
225.05400	0.3
227.07062	0.3
229.03352	1.3
231.06607	1.0
241.04938	0.5
244.07330	1.4
246.08800	0.5
256.07397	0.4
257.08154	0.3
258.05222	3.3
259.05984	2.3
272.06677	0.5
273.07623	0.7
274.08304	0.7
277.07193	0.8
283.05914	0.7
284.06772	0.8
285.07501	0.3
287.05481	0.5
297.03900	0.6
297.07333	0.3
299.05908	0.4
299.09091	1.6
301.07047	6.4
302.07758	1.1
311.05481	0.7
312.06226	2.6
313.07025	3.9
314.07745	0.4
315.05051	2.8
315.08380	0.5
324.09985	0.5
325.03519	0.7
325.10553	0.4
327.05023	0.7
327.08624	8.8
328.05569	0.3
328.09100	0.4
329.06519	3.5
330.07333	5.8
331.07761	0.3
339.04977	0.6
341.06503	0.4
341.10306	0.4
342.10919	0.3
343.04526	1.6
343.08243	0.5
345.06201	0.4
345.09723	2.6
353.06689	0.4
355.08136	5.4
357.06064	2.2
357.09784	1.2
358.06812	5.8
359.11255	0.5
370.10800	0.3
373.09195	86.2
374.09637	2.7
387.10788	1.5
388.11554	11.8
389.11856	0.4
403.13889	100.0
404.14188	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	402.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	8.2
59.86067	5.7
67.05511	10.7
68.84831	5.5
69.07081	12.1
71.48558	10.6
79.05503	14.5
81.03407	7.3
85.02937	7.3
91.05484	6.9
97.06530	68.5
103.11032	5.2
119.08556	7.4
122.09647	10.5
123.04427	7.8
135.04543	7.0
137.05983	11.1
139.03885	28.5
149.02286	7.1
149.05942	13.7
151.03920	18.6
161.05939	6.5
163.07556	6.9
177.01851	11.5
177.05498	15.7
179.03424	22.7
183.07956	7.1
191.03395	27.7
191.07047	18.6
203.03511	14.2
205.01347	23.6
233.08084	20.9
235.09651	51.1
238.85242	6.3
249.11275	16.7
254.12592	11.4
265.10626	12.7
291.08511	8.4
298.15042	7.4
309.09738	100.0
367.13779	11.7
402.22458	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.5
55.05513	100.0
56.05429	1.0
59.36111	1.0
59.58123	1.0
59.99116	14.1
70.61243	1.5
70.61590	1.9
73.06560	7.2
79.05487	3.0
81.05800	3.9
95.04976	1.2
97.06528	3.9
106.06557	49.2
114.03747	5.6
132.04782	1.2
134.05934	1.1
153.02174	67.2
171.03226	17.8
194.04814	1.5
202.09456	1.6
208.05461	2.7
212.00468	64.2
227.89960	1.0
235.71524	0.9
280.11133	3.7
297.05762	28.5
298.15323	2.8
320.00128	1.3
402.09842	1.4
402.22546	2.4
410.35001	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	8.4
55.01862	15.6
57.03420	6.0
61.02921	11.6
68.99787	7.6
69.03435	41.1
70.08762	10.2
70.09168	15.2
70.95295	5.0
71.05017	8.3
73.02905	10.7
76.48753	4.7
79.49894	4.9
81.03419	41.8
85.02908	100.0
87.00828	45.2
87.80650	5.1
89.33282	4.6
91.05476	6.8
95.58916	5.1
97.02901	53.0
98.21391	5.9
99.04443	15.8
105.01876	58.2
105.06988	7.9
106.49252	5.3
108.04465	23.5
109.02874	45.1
117.01845	7.0
126.05541	9.0
127.03915	84.3
129.01831	6.7
137.05969	7.8
145.04980	50.0
147.02803	5.4
147.04399	5.9
159.02910	28.5
163.02312	6.4
167.58368	5.6
170.02791	5.5
176.82422	5.2
183.85907	6.4
231.04941	18.6
248.07712	8.2
314.75253	5.8
370.01559	5.1
385.18555	5.5
402.19586	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	402.176
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96318	0.3
57.07079	4.8
57.16256	0.3
60.53490	0.2
65.03934	0.7
67.97478	0.3
69.03459	0.3
69.17391	0.3
69.17976	2.4
85.02895	1.3
121.02893	2.3
128.13324	0.3
132.18732	0.3
142.53439	0.3
145.04961	0.4
147.99896	0.3
149.02350	100.0
150.02693	1.7
159.73094	0.3
167.03415	5.6
183.29776	0.2
194.24374	0.2
205.08572	1.3
223.09668	10.6
224.10031	0.4
252.54791	0.2
424.19473	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20753	6.3
55.01882	8.1
55.05505	9.8
57.03431	9.5
69.03443	6.0
69.07059	12.4
70.06593	6.4
77.67798	5.5
79.05505	13.1
81.03394	5.0
81.07069	11.0
85.07938	6.1
91.05505	7.7
93.07051	7.6
97.06520	62.9
98.06860	5.8
98.99179	6.3
101.18018	5.7
106.70890	6.1
107.04971	6.6
119.08600	6.5
122.09732	8.9
137.06036	8.8
139.03906	27.9
140.27620	5.6
149.05992	9.6
151.03929	23.5
157.68921	6.2
163.07614	6.8
168.34459	5.9
177.01831	5.9
177.05486	17.3
179.03387	8.2
191.03398	22.4
191.07031	18.9
203.03430	7.6
205.01353	13.4
217.08710	10.6
223.02362	6.6
231.06621	9.9
233.08092	18.5
235.09602	60.8
249.04057	7.9
249.11246	18.0
256.59576	5.9
265.10657	7.2
277.06961	6.1
298.15353	13.2
309.09683	100.0
335.11319	9.0
367.13925	16.0
402.22397	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	401.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50425	0.9
53.18206	0.8
55.05511	2.9
57.07067	1.5
67.05507	4.1
69.03419	1.3
69.07072	6.6
69.66679	5.6
72.15301	0.8
79.05482	2.9
81.07056	12.0
81.44440	0.8
83.08622	4.1
91.05502	1.7
93.07044	9.0
95.08614	20.7
97.10182	2.3
105.07040	1.9
107.08607	13.1
109.06517	1.4
109.10169	15.2
110.53062	0.8
119.08591	2.6
120.17055	1.0
121.10147	13.9
123.11725	9.1
133.10147	1.2
135.11710	17.7
137.13258	3.3
145.10074	1.1
147.11714	1.7
149.13257	11.4
151.11227	3.2
159.11670	1.4
160.44864	0.9
163.14859	2.2
167.14279	0.9
189.16399	1.1
191.17963	100.0
192.18301	2.9
195.13823	3.1
212.14961	0.8
289.41083	0.8
357.31610	8.0
401.34286	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42278	1.9
54.34426	2.4
55.05517	20.3
57.07087	12.0
63.96867	1.7
67.05510	33.9
69.03394	2.8
69.07067	30.1
71.04979	6.4
71.08637	3.3
71.19695	4.5
77.01672	2.3
79.05489	13.5
79.94846	2.2
81.07059	72.2
83.08623	27.1
85.06546	18.0
91.05492	3.9
93.07050	30.4
95.08610	100.0
97.06519	5.6
97.10191	14.2
99.08151	2.1
105.07021	10.5
107.08600	40.7
109.10165	72.8
111.08062	7.0
111.11678	3.7
119.08602	10.8
121.10145	43.0
123.10838	3.2
123.11716	40.8
125.13275	2.3
133.10121	9.5
135.11713	30.8
137.13260	42.4
147.11681	6.9
147.59685	2.0
149.13271	33.7
151.14848	4.9
161.13269	6.2
163.14799	22.2
165.16356	2.8
175.14819	4.5
177.16359	10.8
179.17957	2.5
189.16399	7.1
191.17995	17.9
203.17929	8.5
205.19479	14.9
207.17387	3.8
217.19489	6.0
219.21126	4.7
221.18974	11.2
235.20267	2.0
245.22586	2.3
249.22087	2.2
287.27243	4.1
291.26688	2.9
305.28500	2.8
344.99695	2.3
401.26385	2.6
401.37933	46.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	11.3
57.03393	3.8
57.07064	11.8
58.69701	4.0
67.05518	21.9
69.07064	25.3
71.49562	4.7
79.05472	11.7
81.07069	59.3
83.08621	17.2
88.07618	5.5
91.05521	5.0
93.07062	27.4
95.08613	100.0
97.10162	13.2
105.07034	13.2
106.08684	11.6
107.08576	33.1
109.10168	53.4
111.11715	5.9
119.08560	20.9
121.10177	36.9
123.11716	37.4
133.10117	8.4
135.11734	23.8
137.13257	32.7
139.07455	4.0
145.10162	5.3
147.11664	13.5
147.30617	3.9
149.13274	33.3
151.14853	7.1
161.13268	16.5
163.14819	18.8
165.16426	5.1
173.13423	4.6
175.14880	4.9
177.16389	13.0
181.12289	4.8
189.16455	7.7
191.17986	12.2
203.18034	5.9
205.19554	9.7
219.21106	5.0
221.15404	14.5
341.31934	7.1
362.37424	4.3
383.33096	7.2
386.14743	4.4
401.17963	35.2
401.34155	49.1
402.18329	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	20.2
57.07076	8.3
62.88276	3.8
67.05512	27.6
69.07066	24.6
69.53360	12.7
69.53789	12.3
71.04990	22.5
77.33688	3.3
78.84122	4.4
79.05482	17.1
81.06612	4.5
81.07062	82.8
82.21596	3.4
83.04964	5.9
83.08607	14.6
91.05460	12.6
93.06564	4.6
93.07053	46.9
95.08609	100.0
97.06517	4.3
97.10149	8.3
98.20738	4.1
99.04446	8.5
105.07014	16.3
107.08588	59.3
109.10155	56.8
111.08079	6.3
119.08553	18.3
121.10141	50.9
123.08062	4.5
123.11704	40.1
125.09557	3.8
127.07539	5.9
131.08583	9.8
133.10114	20.0
134.77538	3.7
135.11694	42.4
137.09627	4.5
137.13284	32.9
145.10104	12.5
147.11754	18.6
149.13251	37.5
151.14816	8.9
157.10214	5.7
159.11667	10.3
161.13210	12.5
163.14798	24.6
171.11681	4.8
173.13260	11.1
175.14806	6.8
177.16411	6.3
185.13321	4.5
187.14880	4.7
191.17969	13.8
192.68716	3.4
199.14708	6.4
201.16367	5.6
203.17923	6.0
205.19539	22.0
213.16307	7.4
219.21082	4.8
227.17999	4.7
231.17584	3.8
241.19298	3.7
245.18927	5.2
365.32230	4.7
383.33203	26.3
401.34100	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	401.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.1
55.01865	1.6
55.05514	17.5
57.03453	7.3
57.07079	100.0
61.02927	1.3
62.27721	1.0
65.03955	1.4
67.05509	36.5
69.03431	26.5
69.07071	24.0
69.52942	6.2
70.06577	1.4
71.04981	4.2
71.08636	80.3
73.02917	2.7
74.43707	1.1
79.05502	3.6
80.37196	1.0
81.03422	28.8
81.03867	1.8
81.07062	54.7
83.08624	35.0
83.57565	1.1
85.02908	29.3
85.06566	2.3
85.10187	43.6
88.07639	2.0
89.06042	1.4
91.05495	2.9
93.07056	3.3
93.65349	1.3
95.03395	0.9
95.08614	72.7
97.02891	17.4
97.10181	20.4
99.04478	8.4
99.11749	3.5
105.07052	1.5
107.08614	2.4
109.02898	11.8
109.06493	1.2
109.10165	36.3
111.11713	5.8
113.13256	1.6
119.08591	2.1
121.06560	1.1
121.10121	1.4
123.11715	17.8
125.13280	3.0
127.03926	24.7
135.11699	1.1
137.13268	9.4
139.14830	2.3
145.04945	8.8
151.14839	3.1
160.57846	1.2
165.16382	2.6
177.12695	1.7
179.17973	1.4
184.16585	1.1
221.22664	4.3
236.14876	1.2
239.23708	43.7
257.24777	4.3
301.08710	1.3
341.26855	3.0
355.90112	1.1
383.27957	8.2
401.28320	1.5
401.38062	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	401.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.2
55.05515	16.4
57.03427	5.8
57.07081	100.0
63.62399	1.8
67.05508	31.2
69.03435	23.8
69.07076	25.0
71.04984	3.8
71.08641	68.1
71.48785	2.0
73.00065	1.7
73.02921	1.8
79.05482	5.9
81.03429	27.1
81.07062	48.1
83.08158	2.6
83.08621	31.0
85.02917	30.7
85.09729	3.0
85.10193	39.0
91.05466	4.4
93.07030	5.6
95.08614	71.9
97.02908	14.9
97.10178	19.0
99.04460	10.7
99.11737	2.5
99.77442	1.8
105.07059	2.4
109.02889	12.8
109.10177	35.5
111.11732	6.9
113.13251	2.1
119.08611	4.4
121.10151	2.2
123.11742	13.1
125.13271	3.6
127.03923	22.8
131.08574	2.3
132.10193	3.4
133.10091	2.2
135.11700	2.4
137.13229	8.0
145.04955	9.8
151.14864	3.2
189.34270	1.9
190.19083	1.8
201.09126	2.0
202.22139	1.9
218.26895	2.0
221.22665	2.9
239.23724	49.7
257.24680	3.2
299.58890	2.1
383.27933	11.7
401.15982	3.1
401.28186	2.9
401.38245	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	401.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37997	1.7
53.03940	4.5
55.05507	18.7
57.03431	5.9
57.07079	100.0
59.07399	2.4
67.05506	42.2
69.03432	26.9
69.07063	25.2
70.06602	2.5
71.04974	5.9
71.08632	84.0
71.48673	3.0
73.02893	4.0
75.78204	1.8
79.05474	6.7
81.03425	27.7
81.06596	3.1
81.07055	50.3
83.08624	33.8
85.02449	2.3
85.02911	28.8
85.06534	1.9
85.10180	44.4
88.07635	2.9
91.05467	4.7
93.07030	5.1
95.08608	80.6
97.02880	20.5
97.10165	17.9
99.04466	9.9
99.11743	3.2
105.07014	6.1
107.08592	4.9
109.02882	11.4
109.09402	2.7
109.10152	43.8
111.11687	5.7
119.08581	4.9
123.11709	18.6
125.13280	4.0
127.03926	22.3
132.10204	2.7
137.13263	7.9
139.14819	3.4
145.04932	5.6
147.04611	2.0
151.14833	3.5
155.76859	1.9
165.16362	2.7
170.60193	2.1
173.06079	1.8
177.07834	2.7
177.85193	2.0
194.18039	2.1
213.10881	1.9
221.22678	3.7
239.23720	43.5
257.24774	4.8
282.62234	1.8
355.59579	2.2
359.69342	1.8
374.79370	2.3
381.41492	1.9
383.27991	10.5
390.39160	1.9
401.16019	3.5
401.28607	6.4
401.38226	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.4
55.01864	2.8
55.05513	17.9
57.07070	6.6
57.63624	3.1
65.03960	2.8
67.05224	2.7
67.05511	24.5
69.07074	17.9
69.84432	14.6
71.04985	12.0
71.08652	6.2
78.76881	2.6
79.05503	22.7
81.07069	37.9
82.74987	2.9
83.04968	2.9
83.08627	9.3
91.04980	4.5
91.05496	47.2
93.07054	47.3
95.04970	12.0
95.08623	29.6
97.02898	4.8
97.06544	3.0
103.05454	4.6
105.07043	100.0
107.08608	43.5
109.06522	62.9
109.10161	19.8
110.90811	2.9
111.08113	7.7
111.46281	3.3
115.05441	8.0
115.35874	2.8
116.06248	4.4
117.07044	23.7
119.08589	89.9
121.10162	17.7
123.08035	3.3
123.11748	3.2
128.06239	11.4
129.06979	24.3
129.07629	2.3
130.07779	10.8
131.08582	61.2
133.10153	68.6
134.61095	2.5
135.08055	16.5
135.11716	21.1
137.09627	4.8
141.06956	9.5
142.07794	26.0
143.08597	41.5
144.09375	14.3
145.10139	85.7
146.10490	3.1
147.08089	4.1
147.11694	20.1
149.09639	6.7
153.07043	4.2
154.07777	4.8
155.08562	14.1
156.09373	17.0
157.10141	63.2
158.10890	13.4
159.11716	40.3
161.09587	5.1
161.13281	5.4
165.06976	6.9
166.07835	3.7
167.08569	9.8
168.09348	7.4
169.10139	21.8
170.10867	9.7
171.11714	31.9
172.08849	3.3
172.12419	2.9
173.13275	40.7
175.14899	16.1
179.08562	13.1
180.09309	6.6
181.10095	16.3
182.10927	8.5
183.11731	24.9
185.13275	16.9
187.14844	35.4
189.12738	3.1
191.08611	3.2
192.09363	3.8
193.10106	10.7
194.10902	11.7
195.11771	21.0
196.12434	6.8
197.13316	21.2
199.14792	19.6
201.12766	4.9
201.16380	3.4
206.10921	12.1
207.11649	13.6
208.12401	3.5
209.13309	19.3
211.14868	8.7
213.12711	5.4
215.14600	3.1
219.11806	4.8
221.13281	18.3
223.14902	10.1
225.16374	3.7
227.14326	4.0
231.11595	4.5
233.13231	4.8
235.14735	4.7
236.15573	3.4
237.16240	6.2
247.14871	4.5
249.16463	4.8
251.17839	4.2
260.15625	3.2
263.17926	4.5
265.19507	5.6
277.19519	4.4
343.24283	9.6
358.26279	3.3
364.43594	3.4
387.54883	2.9
401.13446	6.6
401.18036	6.3
401.28299	29.3
401.38022	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	401.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	14.6
54.31080	5.0
55.01867	22.0
55.05496	18.3
57.03428	14.2
61.02925	10.6
67.05511	29.3
68.99796	15.6
69.03423	40.3
69.07052	13.2
69.31441	18.3
69.31876	27.6
70.06562	9.5
70.42522	5.4
71.04986	14.6
72.08160	9.9
73.02924	6.6
79.05508	43.7
81.03410	53.7
81.07059	90.2
83.04971	16.1
85.02908	44.9
85.06557	9.2
86.09705	7.8
87.00826	21.7
87.04476	13.3
91.05482	35.1
93.07045	38.3
95.01338	8.1
95.04958	38.6
95.08598	21.9
97.02867	16.9
97.06543	34.7
99.04441	21.0
103.03937	12.1
105.01871	9.0
105.07022	50.9
107.04932	7.7
107.08577	50.4
109.02890	11.7
109.06529	40.2
109.10154	21.4
111.04433	15.0
111.08052	11.1
113.06012	9.5
115.03939	7.0
117.07014	15.0
119.04945	6.6
119.08581	82.3
121.06520	10.8
121.10161	33.2
123.04427	100.0
123.08072	18.6
123.11749	7.1
125.06028	9.0
127.03955	11.8
129.01836	16.4
129.05461	9.3
131.04761	6.0
131.08557	20.2
133.10147	19.3
135.08058	11.8
135.11742	14.1
137.05972	21.3
137.09636	16.1
141.05453	6.4
142.07730	9.2
143.08617	13.7
145.06461	7.0
145.10124	45.9
147.02853	5.0
147.08035	8.4
147.11649	20.1
149.06033	9.2
149.09631	5.2
151.07587	28.0
151.11163	5.7
155.07230	4.7
155.08540	8.4
157.10092	26.3
159.08046	11.2
159.11705	23.8
163.11110	10.5
164.07050	5.8
165.09081	6.1
167.07063	12.3
167.08443	7.4
169.10072	13.3
171.11653	6.0
173.09634	6.3
175.11176	15.8
177.12831	8.0
179.07025	14.7
183.11708	10.5
189.03937	9.9
197.08090	6.9
201.12726	6.3
219.13808	9.1
221.18164	8.4
225.12820	9.5
241.54601	5.3
243.13779	11.4
248.12866	6.4
255.08691	7.0
261.14935	10.8
383.17062	8.1
384.17990	22.9
401.20947	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	401.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	22.9
55.05504	47.3
57.03461	14.3
57.07070	20.3
63.56366	11.2
67.05502	35.2
69.07069	42.2
71.04981	24.0
71.07059	11.1
71.34134	13.9
71.34454	11.9
73.02924	20.7
74.92110	10.6
79.05483	44.7
80.73750	9.7
81.03413	10.5
81.07061	100.0
83.05006	11.7
83.08607	38.2
85.02901	31.4
91.05476	23.3
93.07049	65.3
95.08608	80.6
97.02913	11.4
97.06514	39.7
97.10201	13.4
105.07030	36.5
107.08568	76.2
109.10149	59.7
117.07034	10.8
119.08565	31.8
121.10145	52.0
123.08105	17.8
123.11668	56.4
127.11198	17.5
129.07031	12.5
131.08548	15.0
133.10132	22.3
135.08167	12.0
135.10828	10.3
135.11703	56.6
137.09601	13.4
137.13275	27.9
143.08603	15.3
147.11684	31.8
149.13275	38.2
153.12735	19.0
157.06491	10.5
157.10110	14.0
159.11774	13.1
170.07304	10.9
171.11633	18.4
183.08102	17.2
185.09506	12.0
189.50330	10.8
201.09085	12.6
205.19527	36.1
213.09027	12.0
221.19083	30.3
253.12395	11.5
255.08377	12.3
297.11435	11.5
297.14838	25.9
329.21249	13.0
357.16840	60.7
357.55060	13.1
365.23486	13.3
401.16373	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	401.1146
Annotation	S-acetylphosphopantotheine
Peak:m/z	Relative Intensity
55.01864	1.4
57.07074	2.7
61.01139	3.2
67.05492	1.6
69.94455	3.7
69.94861	2.0
70.06594	5.6
70.07175	1.2
70.98817	1.1
72.04519	10.8
72.08143	2.0
73.02904	1.7
79.05539	1.1
80.18421	1.1
81.03437	1.9
83.04993	1.4
84.08135	1.5
85.02886	3.3
85.06536	4.2
86.09711	2.0
88.02208	12.4
91.05476	1.4
95.04953	3.7
97.02902	1.2
98.02402	1.8
98.21512	1.5
98.98483	1.5
99.05586	13.0
103.02156	10.0
103.05496	2.1
105.07028	2.7
107.04961	1.5
107.08624	1.5
109.01791	1.3
109.02827	1.8
112.07637	2.3
113.05993	5.6
114.03752	4.9
114.05562	1.4
119.08566	1.7
120.04802	2.6
120.08110	3.9
121.08449	1.7
124.07578	4.0
125.07117	2.1
127.03999	1.8
130.08649	2.5
132.04797	10.5
134.09653	9.9
135.04448	1.3
137.05975	2.0
142.08653	15.3
147.04338	2.0
150.31892	1.2
158.02733	1.8
159.05879	23.4
163.13600	6.9
174.05879	4.8
174.12823	1.6
175.05394	7.9
175.13120	2.1
183.04201	4.0
184.09639	7.2
191.08449	1.3
192.13863	1.5
201.06938	4.1
206.11844	1.7
217.06306	1.8
235.07564	3.0
238.14326	2.9
239.06987	2.9
239.14752	6.8
243.11598	1.6
251.07010	2.6
261.12634	4.3
263.06943	2.5
265.05075	2.2
279.06488	2.1
285.12766	1.8
294.05173	2.3
297.07535	3.6
303.13745	100.0
309.07510	1.7
311.05615	1.5
321.07651	2.4
337.07132	1.5
350.45023	1.4
357.05966	1.7
366.17133	2.4
383.19650	2.9
384.17966	4.7
401.04642	1.6
401.10516	4.5
401.20764	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	401.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11605	0.9
67.05502	2.3
69.07063	4.1
69.63588	3.1
69.64022	3.3
73.11864	0.9
73.80048	0.9
79.05488	6.6
81.07049	1.4
85.02897	1.4
91.05444	1.6
95.08601	1.3
97.06532	37.1
105.07054	1.2
109.10223	1.3
119.08582	1.2
121.10187	1.2
123.04435	1.4
141.06973	1.4
153.06985	1.3
155.08566	5.9
176.23332	1.1
183.08012	4.9
186.06827	1.1
191.03462	1.7
197.09653	3.2
199.07535	1.4
201.09114	14.1
206.55502	1.1
211.07541	1.0
215.10703	1.2
227.05316	1.0
241.08607	1.4
241.12245	1.5
253.12401	1.5
260.72131	1.0
271.04321	3.4
289.05374	1.7
297.14813	26.5
309.24191	1.0
311.12735	0.9
313.14417	1.1
313.99713	1.0
315.17923	2.4
357.13699	1.6
357.18884	19.7
365.13834	1.3
383.14813	5.4
400.76041	1.1
401.17813	100.0
422.12012	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.1
55.05503	3.2
56.06779	0.6
56.93029	0.6
57.03433	1.8
59.05002	5.9
61.02911	1.9
69.03426	5.6
70.06590	2.4
71.05003	0.8
71.07372	0.9
71.48386	0.7
72.08176	3.7
73.06558	1.7
79.05497	1.7
81.03411	2.5
81.28468	0.7
85.02438	1.0
85.02907	11.4
87.00855	0.7
89.02393	1.4
91.05482	2.2
97.02891	6.3
99.04479	1.1
103.05460	5.1
105.01863	1.2
105.07034	4.7
107.04948	2.2
109.02888	1.8
110.07198	0.8
115.05504	0.6
117.07005	4.8
117.09112	0.8
118.06543	0.7
120.08112	38.0
127.03931	3.1
129.06978	2.2
131.03403	1.6
131.04926	1.7
132.08089	0.7
134.09644	1.5
135.10149	1.2
145.04948	1.5
149.05933	0.8
152.01624	1.7
152.10693	1.6
157.10051	0.7
159.05823	0.7
163.03951	0.8
166.08650	2.9
174.12791	45.4
192.04851	0.9
192.13835	36.6
193.14233	0.8
212.25354	0.7
220.13321	14.3
238.14386	100.0
239.14757	1.2
303.13791	1.8
400.14566	1.2
400.19550	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.087
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.6
55.01850	3.0
55.05485	3.2
56.52151	2.9
57.03422	5.1
62.54747	2.9
67.05486	7.6
69.03420	10.9
70.06582	12.5
70.22107	5.7
72.08141	6.9
79.05479	11.1
81.03429	15.6
81.97015	2.8
84.04482	3.0
84.08115	3.5
85.02900	11.5
85.97104	2.9
86.09714	19.7
89.62502	3.4
91.05473	14.9
93.07027	9.7
95.04967	6.5
95.08597	5.6
97.02891	12.3
97.06515	5.6
98.20805	3.2
99.00775	3.2
100.45524	3.1
100.67642	3.0
102.18362	2.9
102.93933	2.9
103.03958	5.0
103.05500	4.8
105.07039	5.0
107.04966	5.6
109.02813	3.6
109.10073	3.4
116.07077	7.9
117.01883	2.9
119.08571	14.2
121.06476	6.5
123.04420	9.8
127.03919	9.5
131.04988	3.6
133.06503	3.3
135.04408	11.1
137.05946	10.0
137.09593	10.6
147.04398	9.8
149.05988	5.0
151.03925	30.2
151.05008	5.0
152.06206	4.2
161.05978	5.1
163.03958	3.2
164.07050	3.9
165.06993	5.3
165.09120	12.9
173.05978	3.5
175.03993	4.3
176.06226	3.7
177.05516	3.9
177.07013	4.4
177.09106	8.2
179.03395	8.5
179.08585	4.4
181.06465	5.5
183.10179	8.1
187.03812	6.8
189.07007	27.2
189.09042	10.7
191.04922	4.0
192.04616	4.0
193.05031	3.0
194.07112	3.3
195.43881	3.5
198.06833	4.2
205.06519	9.9
206.11774	7.1
207.08168	3.6
208.05099	4.4
209.06036	4.8
210.06628	3.4
211.07529	3.6
217.06483	7.8
218.07205	5.0
219.04333	3.1
219.08008	6.6
220.05191	3.0
221.05946	13.3
221.11441	3.0
222.06747	5.0
223.07614	5.8
226.06282	18.6
227.06970	5.4
230.11665	3.8
231.02811	3.8
233.06071	7.0
234.06750	8.8
235.07556	77.5
236.04684	21.1
237.05464	20.2
238.06371	3.5
239.07031	4.6
247.03894	5.4
247.07527	11.9
249.05467	11.4
250.06245	27.9
251.07082	49.0
252.07404	4.1
254.05762	12.5
257.13834	3.5
261.05518	5.0
262.06332	5.6
263.04205	5.2
263.07040	100.0
264.04190	8.1
265.05017	15.8
265.08572	6.8
266.05774	23.3
267.06448	7.1
269.04626	3.3
269.08130	11.1
275.07010	3.7
277.04993	12.7
277.07986	4.6
278.05725	27.8
279.06543	58.7
281.07867	3.0
282.05365	15.3
285.07568	5.4
289.04947	11.1
291.06253	4.6
293.05154	4.2
293.08047	25.0
294.05298	38.7
294.08661	5.4
295.06168	6.4
295.09656	15.0
297.07571	83.9
298.08023	3.4
302.66351	3.3
305.04022	3.0
306.05304	16.8
307.06021	28.9
309.07568	60.5
311.09088	11.9
315.04730	4.1
321.07581	78.7
323.05630	3.7
337.07065	58.0
339.08676	33.5
341.06598	5.2
352.12842	3.8
357.05893	6.7
357.09683	20.4
365.06540	25.4
367.15152	3.8
383.07776	7.7
383.19440	3.4
384.18100	31.1
401.04205	3.7
401.08902	7.4
401.13397	4.4
401.20255	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	399.3622
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	15.7
57.07057	10.5
67.05512	21.2
69.07074	18.0
69.84315	15.7
69.84727	6.0
71.08630	6.2
79.05472	17.4
79.05909	3.8
80.97109	3.6
81.07059	68.6
81.82970	3.4
83.08617	13.1
85.06516	5.1
91.05458	9.7
93.07055	24.0
95.08612	100.0
97.10149	6.0
99.08067	4.3
105.07014	15.6
107.08593	39.9
109.10163	52.0
111.08088	5.9
111.11708	4.8
119.08565	14.2
121.10155	29.2
123.11706	34.6
131.08557	4.8
133.10103	12.3
135.11681	26.5
137.13254	37.1
147.11694	10.2
149.13293	23.7
149.14337	5.7
151.14822	6.9
159.11676	6.6
161.13187	10.7
163.14799	14.7
164.56273	3.9
173.13177	4.2
175.14839	6.4
177.16354	9.8
189.16322	6.4
191.17926	8.8
201.16399	7.6
203.17986	10.9
205.19501	7.5
215.17863	5.3
271.24298	4.6
299.27371	4.6
381.35037	8.5
399.30798	31.0
399.36185	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.0851
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17912	0.7
53.74023	0.6
54.07699	0.5
59.04998	1.1
69.83517	2.1
69.83938	1.8
70.06589	1.6
72.71411	0.6
76.04018	0.7
85.02884	1.4
97.02859	1.0
102.05574	0.7
103.07584	1.3
105.06987	0.6
121.06474	0.8
123.04421	1.7
127.03875	0.7
131.03395	0.8
131.07234	1.5
132.08151	0.7
135.10162	1.4
137.05965	1.9
152.01659	1.0
152.10695	0.7
159.06805	2.5
164.05310	2.9
171.06808	1.2
172.07478	1.4
173.08388	1.4
176.05281	2.3
177.06088	8.8
189.07832	1.2
191.04002	1.1
192.04782	100.0
193.05112	1.9
204.04826	3.0
205.05583	6.1
206.06357	30.8
220.04262	9.6
221.05101	3.3
222.05829	20.7
232.04442	0.7
240.50310	0.8
275.64209	0.7
280.07880	1.8
284.09091	0.8
295.26352	0.8
298.09039	0.8
354.08026	5.1
356.09485	21.9
357.09872	1.5
382.07455	21.2
383.07877	1.2
400.08502	97.5
400.19339	3.6
401.08932	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	399.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.5
54.35597	1.1
55.01883	5.8
55.05514	41.6
57.03422	4.2
57.06833	1.5
57.07079	18.4
59.04988	1.2
66.47949	1.1
67.05512	6.8
69.03439	9.5
69.07069	54.1
69.20212	11.4
71.04981	7.6
71.08637	15.6
73.02909	5.0
79.05489	3.8
79.22307	1.2
81.03428	11.9
81.07044	9.5
83.04998	2.3
83.08625	42.0
85.02898	4.5
85.10166	4.6
91.05468	1.9
93.07021	4.4
95.08609	5.9
97.02898	100.0
97.06519	2.4
97.09557	2.5
97.10172	43.3
98.20774	1.9
99.04456	35.4
101.05991	1.2
105.07055	2.6
107.08604	5.2
109.02145	1.4
109.02892	19.3
109.10158	3.6
111.08095	1.3
111.11720	15.1
115.98973	1.2
119.08549	2.1
121.10126	6.6
123.11734	1.3
125.09595	1.9
125.13272	5.5
127.03915	26.4
127.57811	1.0
131.08600	1.2
135.11732	5.3
145.04958	11.9
145.10130	1.4
146.10503	1.2
149.13251	1.7
157.10101	1.5
158.67076	1.1
159.11777	1.3
171.11632	1.3
219.21097	3.6
237.22134	3.0
314.27713	1.1
316.05716	1.0
381.27469	1.5
399.19751	1.4
399.28348	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.4
55.05514	17.2
57.07066	18.3
67.05502	28.0
69.07072	24.0
71.05003	6.4
71.08637	5.4
79.05495	15.1
81.07060	69.3
83.08620	13.7
85.06536	7.2
91.05457	8.5
93.07043	31.2
95.08609	100.0
97.10166	12.0
98.20731	6.8
105.07027	9.7
107.08600	39.0
109.10168	49.8
111.08083	5.0
119.08564	20.2
121.10139	40.5
123.11729	38.4
131.08536	7.8
133.10138	14.5
135.11681	25.7
137.13258	44.4
145.10086	5.5
147.11685	14.8
149.13263	25.9
151.14784	7.2
159.11723	8.6
161.13264	10.0
163.14819	15.2
175.14833	6.3
177.16423	9.5
181.15924	3.8
187.14838	3.8
189.16452	7.0
191.18053	6.4
201.16420	7.8
203.17967	10.0
205.19548	8.1
206.37923	3.7
217.19623	5.7
243.21231	5.0
273.52142	3.5
305.06110	3.4
316.22205	3.5
365.22980	3.3
381.35291	8.0
399.30817	15.6
399.36218	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	399.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.2
55.01869	6.4
55.05515	39.7
57.03435	5.1
57.07082	19.4
60.62170	1.4
67.05515	9.1
69.03421	7.7
69.07070	56.5
70.06577	3.2
71.04992	7.2
71.08632	11.0
73.02909	6.2
77.35596	1.5
79.05493	4.7
81.03432	10.9
81.07072	15.9
83.08620	39.7
85.02921	4.3
85.10210	7.1
91.05473	3.3
93.07043	8.2
95.08620	13.2
97.02897	100.0
97.06534	1.9
97.10172	40.1
99.04458	35.6
101.02410	1.5
105.07040	5.3
107.08588	10.9
109.02888	18.2
109.10169	7.8
111.11729	19.2
117.07063	1.8
119.08604	6.7
121.10145	8.4
123.11738	3.7
125.09650	2.0
125.13283	5.4
127.03926	28.0
129.07040	1.7
131.08589	2.3
133.10149	4.3
135.11714	5.8
137.09615	1.7
137.13330	1.8
137.19734	1.5
143.08562	2.2
145.04961	11.2
145.10165	4.4
147.11685	1.7
149.13278	3.2
150.82823	1.5
157.10173	2.3
159.11685	2.8
160.09750	4.0
161.13295	3.2
163.11197	2.9
163.14772	3.3
165.09137	2.1
171.11768	2.1
172.92755	1.4
175.14864	2.8
177.67419	1.5
187.14862	1.9
191.10680	5.1
199.14951	2.1
201.16350	2.2
219.21155	5.9
237.22226	2.3
292.31424	1.6
381.27518	5.0
399.32321	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	399.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	21.5
57.03439	13.7
57.07052	8.8
61.02926	9.7
63.62127	6.7
65.39655	6.9
67.05505	24.3
69.03431	72.5
69.07088	32.4
69.27837	38.1
69.28255	21.2
70.06577	9.5
71.04994	40.4
71.08620	6.1
73.02930	6.5
79.05514	32.3
81.03388	36.3
81.07067	85.0
83.04986	15.1
85.02908	83.6
85.06548	9.0
91.05480	35.9
93.07043	54.6
95.04967	18.2
95.08595	30.3
97.02869	30.4
97.06508	20.0
97.10176	7.6
97.35621	5.9
99.04445	14.9
99.08096	10.9
105.07040	95.3
107.08621	51.9
109.02877	19.2
109.06519	13.4
109.10161	56.6
113.02429	8.3
117.06995	16.2
119.08585	54.6
121.10153	48.5
123.08064	19.5
123.11715	16.1
125.09641	36.5
127.03910	38.9
127.07575	8.7
127.11192	12.8
129.05528	10.4
129.06984	9.1
131.08545	28.2
133.10136	100.0
135.08055	8.1
135.11691	27.5
137.06009	13.0
137.09615	20.7
143.10670	22.3
145.04958	14.9
145.10106	29.8
147.04405	7.6
147.11671	61.4
149.13304	7.1
150.09076	8.8
151.07535	7.0
151.11179	11.7
153.12776	9.7
157.10120	14.0
159.11697	44.9
161.06047	12.7
161.09631	9.2
161.13223	12.4
163.03870	13.0
173.04462	15.7
173.09549	6.5
175.11119	9.3
177.12743	11.4
181.08578	7.1
191.17868	14.7
201.16431	21.5
206.11855	7.4
219.13919	10.0
219.17389	57.2
237.14903	41.8
237.18471	11.7
337.13434	16.8
382.16379	25.6
399.19650	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	399.238
Annotation	Hypochoeroside K
Peak:m/z	Relative Intensity
53.03940	8.4
55.01886	5.7
55.05518	7.5
57.03447	8.3
57.07076	4.6
61.02909	5.0
64.52967	4.0
67.05527	20.1
69.03427	32.5
69.07079	9.8
69.83705	13.6
69.84120	9.9
71.05003	35.5
79.05498	19.8
81.03415	20.1
81.07068	50.5
83.04975	9.1
83.08628	5.2
84.08111	5.1
85.02917	60.9
85.06539	4.5
91.05460	24.3
93.07057	29.1
95.04946	10.4
95.08634	21.6
97.02885	17.6
97.06536	16.4
98.20702	4.4
99.04455	11.4
99.08096	7.1
105.07033	70.4
107.08595	34.1
109.02873	9.3
109.06538	9.5
109.10159	35.2
115.05521	4.4
117.06995	8.0
119.08591	33.6
121.06428	4.2
121.10163	35.6
122.78216	4.5
123.11703	9.9
125.09632	20.8
127.03915	33.8
127.11194	11.2
131.08559	15.4
133.10138	100.0
135.11717	11.5
137.05959	4.8
137.09608	10.2
143.08617	4.4
143.10674	10.7
145.10104	29.0
147.11681	45.0
149.13333	7.5
151.11189	15.1
155.10710	4.7
157.10127	6.7
159.11742	24.1
161.13214	5.7
164.10387	5.6
173.04449	9.0
175.14825	5.4
193.15965	5.4
201.16367	20.7
210.06906	5.1
219.17442	47.5
237.18515	25.4
262.09308	4.9
305.18365	5.7
337.13324	13.4
381.22867	6.2
399.18607	15.5
399.24152	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	399.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.1
55.01871	3.2
55.05520	11.5
56.43612	2.1
57.03423	3.4
59.04989	2.9
67.05514	11.9
69.03434	11.4
69.07065	8.1
69.52778	8.8
69.53205	9.1
71.05000	11.9
79.05482	11.2
81.03407	8.4
81.07068	46.8
83.04990	5.9
85.02919	25.7
85.06554	3.1
85.61935	2.2
91.05474	17.8
91.46396	2.3
93.07044	17.9
95.04974	7.6
95.08619	15.2
97.02888	7.0
97.06536	12.2
97.10163	4.9
98.20768	4.7
98.59767	2.9
99.04494	2.7
105.07036	73.7
107.08610	22.5
109.02890	4.1
109.10143	12.0
117.06992	5.6
119.08590	40.3
121.06569	4.5
121.10163	15.9
123.11703	4.0
125.09650	29.9
127.03854	3.0
129.07056	2.7
130.07713	2.5
131.08582	9.4
133.10129	19.1
135.11693	3.4
137.06015	3.5
137.09615	13.6
139.11253	2.9
139.44853	2.3
143.08533	5.0
143.10674	34.4
145.04939	3.5
145.10136	19.8
147.11702	100.0
147.28294	2.8
155.08620	3.1
157.10132	8.2
159.11705	16.4
161.13283	7.0
167.10696	6.7
171.11676	5.1
172.10779	2.9
175.15057	2.3
191.10612	3.1
201.16408	11.5
209.11784	4.3
211.15065	2.6
219.17461	16.5
221.11656	4.3
242.97644	2.6
243.17525	3.5
262.09091	3.5
269.13809	3.1
286.98856	2.3
334.49332	2.9
399.15073	4.7
399.23657	65.6
399.31949	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	10.2
55.01874	10.3
55.05505	22.1
57.03418	17.3
57.07055	8.3
61.25669	7.6
67.05492	21.9
69.03436	60.5
69.07073	19.4
69.17798	35.4
69.18230	45.9
70.06595	12.7
71.04996	47.2
75.76620	7.2
79.05486	26.5
81.03426	28.9
81.07059	96.3
83.05000	9.7
85.02912	80.4
85.06522	7.0
91.05470	47.8
93.07039	50.7
95.04999	19.0
95.08607	44.5
97.02907	48.1
97.06539	22.2
97.35436	6.9
99.04424	16.6
99.08084	12.6
103.04002	10.4
105.07038	91.1
107.08599	64.7
107.95492	8.8
109.02870	22.2
109.06529	10.4
109.10154	52.4
116.60958	6.9
117.07042	13.0
119.08585	51.8
121.10142	36.7
123.08103	10.5
123.11725	18.2
125.09632	32.0
127.03931	41.1
127.11176	11.1
127.93852	7.6
131.03413	9.1
131.08620	17.2
133.10130	100.0
135.08070	12.5
135.11705	30.6
137.05963	15.8
137.09596	11.7
143.08470	8.9
143.10686	26.7
145.10150	38.5
147.11685	87.2
149.09669	9.7
149.13257	9.2
150.09026	11.5
151.11157	19.5
157.10077	9.1
159.11697	42.7
161.06026	21.7
161.09677	9.6
161.13223	15.3
163.03854	12.5
163.07568	11.6
167.10696	14.2
173.04565	12.4
177.12796	12.1
191.14351	10.0
201.16408	23.9
219.13817	9.9
219.17438	54.7
237.14868	45.1
237.18475	26.1
249.08960	8.1
304.78793	8.5
337.13449	10.3
382.16226	25.1
399.18921	34.9
416.01013	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	399.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	7.1
58.94995	1.2
69.03421	6.3
69.50188	9.5
70.06586	3.4
70.98118	1.3
70.99861	1.7
81.03407	3.1
84.96013	1.4
85.02906	5.4
86.28045	1.3
89.03893	3.1
97.02886	13.0
98.20847	2.2
98.97586	9.4
101.00896	11.6
102.05560	2.4
105.00385	1.8
109.02871	3.7
110.97588	2.8
112.07613	2.3
112.99107	1.4
113.00874	4.2
115.02434	2.7
116.98597	3.4
117.03438	1.6
119.01920	14.0
127.02432	3.3
127.03931	2.8
128.98592	1.9
129.05489	1.5
131.01878	7.9
135.04402	2.7
136.06219	6.7
137.02327	22.7
137.03267	1.8
137.05943	2.9
143.01907	4.2
145.03494	13.0
149.01180	1.6
155.01889	9.3
157.03473	3.4
158.06548	2.3
158.99557	3.2
161.01218	1.8
161.02975	6.1
163.03876	13.3
167.01924	2.2
169.03470	3.7
170.00583	2.3
173.02969	10.3
175.04468	1.4
177.00342	7.3
183.04939	1.6
185.02989	6.0
187.04521	1.8
188.07729	1.5
192.08200	1.4
193.03487	1.6
195.01382	40.1
197.02971	3.0
198.98483	2.2
203.04068	5.6
205.03540	1.8
207.05305	2.2
211.04424	3.3
213.02434	17.1
219.01498	12.2
221.02983	3.5
221.05093	4.7
228.05676	4.2
229.05563	2.7
231.01381	4.7
231.03471	25.6
233.03011	4.3
237.02635	11.5
237.06195	2.6
239.04074	2.1
245.02844	3.9
245.05130	9.9
247.04587	2.9
249.02477	4.1
250.09369	6.0
251.04054	5.3
255.01616	9.4
255.03967	13.6
255.07269	3.3
255.71300	1.3
257.05209	2.4
261.02408	3.3
263.04001	5.5
269.05173	5.6
273.02579	11.2
273.08221	2.9
279.03641	10.3
281.05109	5.7
291.03497	23.5
297.02820	5.8
297.07947	7.3
299.06271	2.1
301.01514	1.4
309.04568	4.8
310.64172	1.6
321.04587	9.2
339.05615	100.0
340.05566	3.4
357.06644	65.8
358.06665	3.1
361.88806	1.5
380.08121	1.8
399.08191	4.7
399.23236	4.2
415.09091	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.3
56.96561	2.6
57.07063	1.5
63.84361	1.3
69.82876	7.2
70.06601	2.1
71.06116	20.2
72.04520	3.5
74.02444	16.8
74.02818	2.2
76.02230	2.1
77.00624	12.4
78.03796	1.6
82.32902	1.2
86.06055	1.8
88.97598	1.3
91.05470	1.8
95.04988	1.7
95.06084	2.6
99.05548	1.5
100.07529	1.3
102.03787	2.2
113.06006	2.1
118.03239	37.7
120.04796	2.0
124.07603	2.4
130.03224	8.9
132.04805	2.3
135.04372	1.5
142.08655	5.3
147.02231	4.0
147.05870	81.9
149.07425	15.9
151.23415	1.5
151.98347	26.8
163.03911	2.4
170.09639	1.4
176.01947	1.9
181.04610	2.3
182.01553	1.6
184.09773	1.4
197.04124	4.0
205.04602	3.0
222.07323	2.2
229.05573	2.1
236.12842	1.8
239.05542	1.4
251.05132	3.9
259.11206	1.4
268.07840	100.0
295.16754	1.2
344.49197	1.4
354.23853	2.2
363.09320	1.4
363.61984	1.4
380.13013	33.0
398.18658	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	397.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	13.6
57.07074	18.5
65.03967	1.7
67.05510	29.4
69.07069	30.5
69.84610	8.9
71.08627	16.9
74.15994	1.8
79.05492	15.6
81.06593	3.3
81.07058	57.8
83.08611	13.7
85.10181	12.0
91.05484	15.9
93.07047	25.2
95.08612	55.2
97.10174	13.2
98.20829	2.5
99.11764	1.7
105.07030	32.6
107.08591	27.7
109.10157	38.3
111.11726	9.3
117.06998	3.2
119.08582	27.0
121.10130	16.6
123.11734	14.7
125.13247	3.4
131.08542	3.7
133.10124	20.9
135.11693	40.4
137.13277	6.4
139.14859	1.8
141.58604	1.8
145.10110	8.2
147.11697	59.1
149.13268	19.0
151.14778	3.5
159.11717	5.1
161.13257	44.3
163.14830	6.8
165.16408	3.6
173.13306	4.9
175.14845	21.5
175.39513	1.9
177.16444	2.9
187.14893	3.7
189.16351	9.1
201.16409	7.0
201.64830	1.9
203.17995	6.6
215.18005	9.6
217.19572	4.2
229.19571	7.3
235.56717	1.9
243.21059	8.4
247.24127	2.1
257.22665	6.9
261.25870	3.2
275.27390	3.9
285.23120	1.7
287.27350	3.7
301.29034	2.2
315.30569	3.4
397.38330	100.0
398.38431	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.2
55.05511	2.1
59.02640	1.2
59.42095	1.1
67.05492	1.4
69.03436	1.9
69.13741	14.7
79.05493	2.8
81.07053	1.9
83.30257	1.2
90.35609	1.2
91.05484	7.1
93.07045	3.0
97.02880	1.4
103.05459	1.6
105.07053	5.3
107.04978	1.6
107.08604	2.1
112.26535	1.2
115.05411	1.7
117.07043	2.8
119.08585	2.4
121.06543	2.5
123.04441	2.7
128.06255	1.8
129.07002	2.0
131.04918	1.7
131.08554	4.7
133.10184	2.2
137.06029	2.0
141.06982	2.0
143.08562	2.6
144.05699	1.6
145.06529	2.8
147.04472	1.9
149.05974	3.3
151.07527	2.3
153.06984	1.8
155.04906	2.2
157.06552	2.6
161.06032	2.2
163.03935	2.1
164.27747	1.3
165.05638	1.4
165.07037	4.6
166.07732	1.5
167.08562	2.6
171.07878	1.7
173.05984	1.6
175.07445	2.1
176.10645	2.1
178.07761	3.0
179.08611	3.8
180.09317	1.3
181.06461	2.4
181.10039	2.6
185.05959	2.1
187.07600	1.8
189.05470	1.7
189.07037	1.7
190.07762	2.9
191.08557	9.5
192.09442	1.6
193.10095	2.6
195.08118	4.6
195.10086	2.2
198.29762	1.3
199.07605	2.5
202.07799	1.8
203.03439	2.5
203.08629	4.6
204.09303	2.9
205.06500	3.2
205.10210	3.8
206.07242	1.9
206.10950	1.7
207.08055	4.0
208.08807	1.7
209.09633	3.6
211.07523	2.8
213.05522	3.6
215.08606	2.1
217.10139	3.4
218.07297	3.2
218.10866	4.6
219.08061	10.6
219.11655	1.5
220.08801	2.5
221.06200	1.7
221.09651	2.5
222.10320	2.1
223.07568	4.9
223.11285	1.5
225.05661	2.3
225.09196	2.6
228.09386	1.8
231.08147	6.3
232.08823	7.5
233.09727	6.4
233.13342	3.5
234.06876	1.8
235.07558	4.2
236.08267	3.4
237.05534	3.6
237.09180	9.7
239.07066	2.2
243.11705	2.8
245.09630	2.8
246.10487	5.1
247.07565	5.9
247.11224	2.5
249.05594	2.4
249.09164	3.8
249.12788	1.6
250.06183	1.6
250.09935	4.8
251.07091	7.7
251.10747	2.5
251.14293	2.6
252.04514	1.5
252.07768	2.4
253.08488	2.3
260.08383	5.6
261.09131	3.8
261.12790	11.1
262.09930	1.6
262.38223	1.4
263.06992	6.1
264.07870	3.6
264.11353	1.4
265.05008	6.6
265.08649	16.0
265.12228	3.7
267.06503	1.9
274.10046	2.8
275.10840	2.5
277.05237	1.4
277.08652	3.3
278.05911	4.2
278.09381	7.1
279.06610	8.9
279.10132	3.3
279.13788	13.6
280.07367	12.9
281.08200	6.4
281.11627	1.3
288.07721	1.7
289.12259	8.7
291.06485	1.9
291.10052	1.7
291.13901	1.6
292.07288	5.1
292.10672	1.6
293.08145	13.5
293.11536	3.1
295.13364	3.0
305.07947	1.7
305.11435	1.7
306.08972	2.9
307.09857	2.4
307.13248	32.3
317.11786	5.9
323.12689	8.9
324.15948	2.7
335.12790	100.0
336.12991	2.0
352.15427	21.0
362.13843	2.6
379.15762	1.4
380.14969	32.0
381.15338	1.5
397.17596	88.7
398.17731	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.2
55.05511	2.1
59.02640	1.2
59.42095	1.1
67.05492	1.4
69.03436	1.9
69.13741	14.7
79.05493	2.8
81.07053	1.9
83.30257	1.2
90.35609	1.2
91.05484	7.1
93.07045	3.0
97.02880	1.4
103.05459	1.6
105.07053	5.3
107.04978	1.6
107.08604	2.1
112.26535	1.2
115.05411	1.7
117.07043	2.8
119.08585	2.4
121.06543	2.5
123.04441	2.7
128.06255	1.8
129.07002	2.0
131.04918	1.7
131.08554	4.7
133.10184	2.2
137.06029	2.0
141.06982	2.0
143.08562	2.6
144.05699	1.6
145.06529	2.8
147.04472	1.9
149.05974	3.3
151.07527	2.3
153.06984	1.8
155.04906	2.2
157.06552	2.6
161.06032	2.2
163.03935	2.1
164.27747	1.3
165.05638	1.4
165.07037	4.6
166.07732	1.5
167.08562	2.6
171.07878	1.7
173.05984	1.6
175.07445	2.1
176.10645	2.1
178.07761	3.0
179.08611	3.8
180.09317	1.3
181.06461	2.4
181.10039	2.6
185.05959	2.1
187.07600	1.8
189.05470	1.7
189.07037	1.7
190.07762	2.9
191.08557	9.5
192.09442	1.6
193.10095	2.6
195.08118	4.6
195.10086	2.2
198.29762	1.3
199.07605	2.5
202.07799	1.8
203.03439	2.5
203.08629	4.6
204.09303	2.9
205.06500	3.2
205.10210	3.8
206.07242	1.9
206.10950	1.7
207.08055	4.0
208.08807	1.7
209.09633	3.6
211.07523	2.8
213.05522	3.6
215.08606	2.1
217.10139	3.4
218.07297	3.2
218.10866	4.6
219.08061	10.6
219.11655	1.5
220.08801	2.5
221.06200	1.7
221.09651	2.5
222.10320	2.1
223.07568	4.9
223.11285	1.5
225.05661	2.3
225.09196	2.6
228.09386	1.8
231.08147	6.3
232.08823	7.5
233.09727	6.4
233.13342	3.5
234.06876	1.8
235.07558	4.2
236.08267	3.4
237.05534	3.6
237.09180	9.7
239.07066	2.2
243.11705	2.8
245.09630	2.8
246.10487	5.1
247.07565	5.9
247.11224	2.5
249.05594	2.4
249.09164	3.8
249.12788	1.6
250.06183	1.6
250.09935	4.8
251.07091	7.7
251.10747	2.5
251.14293	2.6
252.04514	1.5
252.07768	2.4
253.08488	2.3
260.08383	5.6
261.09131	3.8
261.12790	11.1
262.09930	1.6
262.38223	1.4
263.06992	6.1
264.07870	3.6
264.11353	1.4
265.05008	6.6
265.08649	16.0
265.12228	3.7
267.06503	1.9
274.10046	2.8
275.10840	2.5
277.05237	1.4
277.08652	3.3
278.05911	4.2
278.09381	7.1
279.06610	8.9
279.10132	3.3
279.13788	13.6
280.07367	12.9
281.08200	6.4
281.11627	1.3
288.07721	1.7
289.12259	8.7
291.06485	1.9
291.10052	1.7
291.13901	1.6
292.07288	5.1
292.10672	1.6
293.08145	13.5
293.11536	3.1
295.13364	3.0
305.07947	1.7
305.11435	1.7
306.08972	2.9
307.09857	2.4
307.13248	32.3
317.11786	5.9
323.12689	8.9
324.15948	2.7
335.12790	100.0
336.12991	2.0
352.15427	21.0
362.13843	2.6
379.15762	1.4
380.14969	32.0
381.15338	1.5
397.17596	88.7
398.17731	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01816	0.7
57.03382	1.2
69.03365	0.9
70.06550	1.1
77.77662	0.5
81.03355	1.1
81.07001	1.6
82.77763	0.6
85.02839	0.9
91.05411	1.2
96.08133	3.3
97.06470	1.2
112.20207	0.6
113.09624	1.2
119.04906	0.8
127.03861	1.3
131.04897	0.7
133.06433	1.0
137.05954	1.5
143.08528	1.2
145.06413	1.5
147.07982	1.1
149.96384	0.7
159.08020	1.6
161.09512	0.7
164.06938	1.0
173.09570	1.5
175.07501	2.3
175.11153	0.8
176.06984	1.7
185.09572	1.2
186.09076	1.0
187.07582	1.1
187.11096	0.8
189.09064	1.5
197.05896	0.7
199.07495	0.8
201.09030	1.9
201.11319	3.3
202.12120	1.2
202.15919	1.4
203.10590	2.2
204.10129	1.7
212.08379	1.4
212.10448	0.8
213.09074	1.7
213.12807	1.5
214.08574	2.1
216.10168	2.6
225.09006	0.9
228.10190	1.0
228.98654	0.7
229.10852	16.3
230.11920	3.1
230.15390	10.4
231.13805	3.1
240.10155	1.0
240.13907	1.2
241.12254	3.5
242.11789	1.2
245.14200	1.2
255.12627	0.8
258.14886	38.4
259.15222	0.8
260.12811	1.7
273.10757	1.3
273.13599	20.0
287.15012	0.8
301.16248	0.6
302.17511	67.6
303.17899	1.7
305.16183	8.1
316.18948	0.7
320.18701	1.2
334.20120	100.0
335.20413	3.3
346.20117	2.0
364.21332	0.7
378.15063	1.3
378.22745	30.1
379.23468	0.7
396.23843	56.4
397.24182	1.7
399.28763	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07413	0.6
52.54516	0.7
56.15894	0.7
57.03404	0.8
63.60134	0.6
64.29694	0.6
69.07017	2.1
71.98717	0.6
79.05433	1.2
91.05468	0.7
97.06537	8.1
98.21538	1.5
100.47303	0.8
129.06993	1.0
131.08443	0.8
131.90538	0.7
133.06447	0.9
143.08554	1.4
147.06798	8.6
150.90773	0.7
157.10034	0.7
159.07997	1.6
160.11238	1.2
161.05933	0.7
164.07002	1.4
171.07918	0.7
172.11177	1.2
173.09558	1.0
176.07018	2.4
176.10687	6.1
177.07852	10.1
177.09241	0.6
185.09578	1.9
187.07448	1.1
188.10619	1.7
189.09068	1.8
199.07500	1.4
201.09186	1.1
201.11353	1.2
202.12283	10.1
203.10658	1.2
204.10217	5.3
205.10930	2.2
206.11696	2.7
211.14755	0.7
213.12740	1.1
214.08549	1.1
216.10153	3.0
216.13791	0.9
229.10861	4.3
230.11748	0.6
230.15376	4.6
231.13741	4.1
258.14917	16.2
260.12753	2.3
273.10724	1.4
273.13602	18.5
274.13824	1.0
275.16281	0.9
284.16400	1.3
285.36337	0.8
302.17505	88.5
303.17859	1.7
305.16196	7.3
316.18982	4.9
328.19000	2.7
334.20123	100.0
335.20645	1.4
346.20267	2.1
360.21765	9.5
378.22754	25.9
383.52158	0.7
396.23831	47.0
397.23837	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	1.0
64.33025	0.8
69.07059	2.5
70.78177	1.3
70.78510	1.0
79.05488	2.3
80.93714	0.8
83.71101	0.8
95.46079	0.8
97.06535	10.0
104.06127	0.8
113.47758	0.7
129.07018	1.1
131.04884	1.3
136.27470	0.8
137.06026	0.9
143.08609	1.3
145.06491	1.1
147.06802	9.0
151.07628	0.8
157.10121	1.0
159.08060	2.4
160.11240	1.6
161.05969	0.7
161.09610	1.2
163.07545	1.1
173.09677	1.6
176.07068	3.0
176.10719	6.7
177.07848	7.0
177.09175	1.5
179.10640	1.1
185.09650	1.0
187.07581	1.5
189.09045	2.1
201.09245	1.1
202.12276	10.1
203.10782	1.0
204.10182	5.2
205.10942	1.3
206.11784	2.1
213.12802	2.9
216.10193	2.5
218.09148	0.9
222.44925	0.8
229.10812	4.3
230.15413	4.1
231.13792	7.9
233.15268	1.0
241.12332	0.9
257.15369	1.4
258.14890	21.5
260.12744	2.5
273.13608	21.5
274.17474	0.8
275.16733	1.1
284.16446	0.9
300.19629	1.3
302.17508	100.0
303.17841	3.2
305.16177	8.2
310.17975	1.1
316.19055	13.4
328.19040	5.2
332.22253	1.1
334.20120	88.6
335.20380	2.9
346.20135	3.8
360.21674	18.7
378.22757	20.7
379.23056	1.3
396.23843	38.3
397.24307	1.4
403.11349	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.6
55.01873	5.6
56.10489	1.7
57.03439	4.7
61.02925	7.1
68.99780	2.1
69.03433	41.6
70.94773	4.9
71.04989	3.7
73.02915	5.6
75.38487	1.6
78.57301	1.8
81.03417	23.8
85.02911	100.0
87.00833	56.7
97.02892	33.4
99.04457	12.4
105.01875	76.7
108.50815	1.8
109.02883	31.0
116.40424	1.7
117.01874	2.2
126.05543	2.2
127.03928	66.4
129.01857	4.1
145.04968	38.3
147.02902	2.9
159.02933	9.8
189.03990	3.8
231.05005	23.6
238.70827	1.7
249.05994	8.1
277.35556	1.7
396.13568	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78601	0.6
57.03423	1.3
61.58720	0.6
69.07043	3.3
70.03131	1.5
70.03512	1.8
79.05473	1.0
81.07017	0.9
87.06001	0.6
91.05458	0.9
93.74765	0.7
97.05944	0.9
97.06532	10.0
107.41151	0.6
121.06540	0.7
123.06661	0.7
123.77538	0.6
131.08549	0.8
133.06445	0.7
137.05920	0.7
143.08508	1.3
147.06827	5.2
147.07845	1.1
158.09657	0.8
159.08044	1.7
160.11227	0.9
164.07043	1.1
172.11221	1.1
176.07025	2.2
176.10657	3.9
177.07857	16.3
179.10684	0.9
185.09671	1.0
187.07520	1.3
188.10713	2.1
189.09056	1.3
199.07503	1.5
201.09177	1.1
201.11362	0.9
202.12283	8.5
204.10228	5.3
205.10954	2.3
206.11769	2.1
214.08662	1.9
214.56401	0.7
216.10181	2.5
216.98979	0.7
229.10890	4.9
230.15376	4.8
231.13794	2.2
241.12257	1.1
258.14905	14.6
260.12741	1.6
273.13589	13.4
291.95343	0.7
302.17520	83.4
303.17853	2.2
305.16156	5.2
316.19226	3.2
316.58438	0.7
319.84686	0.7
328.19241	3.8
334.20142	100.0
335.12827	2.0
335.20386	2.3
346.20078	2.0
360.21671	6.6
378.22763	26.9
396.23849	53.4
397.17834	1.9
397.24399	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06401	1.4
53.03937	4.1
55.01867	6.4
55.05497	3.4
57.03428	4.5
57.07072	3.4
61.02927	6.9
63.23991	1.6
67.05507	2.7
67.32908	1.2
68.99765	2.8
69.03430	36.2
69.07056	5.7
69.86824	7.2
70.06571	1.7
71.04987	3.5
71.08549	1.4
73.02903	6.9
79.05480	1.6
81.03421	29.4
81.07047	3.3
83.08614	4.0
83.38681	1.6
85.02908	100.0
85.06544	3.2
86.09697	2.3
87.00829	44.8
91.05479	3.4
93.07047	3.6
95.04980	2.0
95.08588	2.0
97.02888	30.8
98.20808	1.4
99.04451	14.1
100.08612	1.6
100.11275	9.6
105.01864	54.8
105.07007	3.7
107.08560	2.5
108.04428	2.0
109.02882	28.9
109.10210	1.7
110.15271	1.4
111.04460	3.6
112.07548	1.9
117.01849	3.1
117.42421	1.5
119.08573	2.7
120.08928	1.6
121.10129	2.2
127.03916	64.9
129.01826	1.9
131.08563	2.9
133.10117	3.1
133.43056	1.5
137.05968	4.3
141.06578	3.0
145.04959	33.7
147.02824	1.9
147.11670	3.1
159.02921	11.0
159.11618	1.5
161.05882	2.4
168.13855	10.2
176.45210	1.6
182.15321	1.6
184.16963	6.1
187.14784	2.1
188.15002	2.3
189.03960	5.1
192.18332	1.9
193.12311	3.2
196.13330	8.1
201.16359	2.3
201.19566	2.0
210.14854	4.9
213.03725	1.9
231.04997	22.0
249.06035	3.5
311.23291	4.9
329.17438	2.3
361.20087	2.7
378.22690	5.6
380.96246	1.4
392.25589	1.5
396.23401	2.8
396.32501	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	395.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.7
55.05516	13.5
55.23585	2.4
57.07061	7.3
67.05508	27.9
69.07069	27.6
70.80356	7.0
71.08632	3.4
79.05502	12.6
81.03402	5.8
81.06599	4.8
81.07057	79.2
81.07533	4.0
83.04968	3.5
83.08637	12.3
84.08125	5.6
85.06506	3.6
91.05492	21.4
93.06507	3.3
93.07050	43.9
95.04975	47.8
95.08611	100.0
97.06507	3.4
97.10149	8.0
99.08083	6.9
102.35302	2.7
103.84542	2.7
105.07038	29.5
107.08602	46.7
108.00739	2.6
109.06542	11.9
109.10160	44.4
111.11750	3.7
117.07007	5.0
119.08586	28.3
121.06508	28.8
121.10141	39.6
123.08055	6.4
123.11716	38.9
123.22549	2.9
129.10240	12.0
131.08601	13.0
133.10155	24.5
135.08080	4.3
135.11687	27.3
137.12306	3.8
137.13272	40.3
143.08534	5.3
145.08379	2.8
145.10136	22.3
147.11682	22.9
149.09552	4.8
149.13271	21.1
151.11226	3.4
157.10132	7.0
159.11690	17.2
161.13283	11.6
163.14847	12.9
171.11681	7.5
173.13234	13.2
175.11157	3.3
175.14783	11.1
177.16364	7.3
179.17944	3.3
183.11667	5.7
185.13272	10.2
187.14833	16.4
189.12714	4.1
189.16380	6.1
191.14357	4.0
191.17976	17.3
195.12259	2.9
197.13225	3.8
199.14853	7.6
201.16454	8.1
203.14255	5.2
203.17921	11.1
205.19536	5.8
211.14815	5.7
213.16357	6.6
215.14256	3.0
217.15945	3.2
217.19490	8.2
225.16200	4.3
227.17894	4.4
229.15790	3.2
231.17390	2.8
239.17978	5.3
241.19450	4.5
243.17471	5.9
257.19019	7.2
257.22455	4.0
271.20413	3.2
287.27002	3.0
297.25815	3.3
351.30313	13.2
377.32019	13.1
395.33014	82.8
396.33447	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.9
55.01869	3.6
55.05489	4.0
57.03428	8.3
61.02918	11.6
62.71280	2.6
69.03105	2.4
69.03439	37.0
70.06602	23.2
70.83560	5.2
70.83926	3.6
71.05016	13.3
73.02913	2.5
73.06550	7.2
75.00189	5.1
77.01733	4.2
79.05509	3.2
81.03416	16.4
83.01318	2.6
85.02910	90.2
85.07668	3.3
87.01950	10.5
87.02717	21.2
87.04450	3.6
88.07637	96.8
91.03983	4.2
91.05456	3.6
97.02897	30.2
97.06533	4.2
99.04432	6.4
100.71949	2.4
105.03719	9.4
109.02866	10.0
118.99136	100.0
120.04816	45.8
127.03926	17.7
129.04852	7.0
131.23518	2.1
145.04956	18.4
147.05836	9.5
149.05952	2.6
149.50278	2.5
161.03804	15.7
189.10574	89.6
191.04861	46.3
202.33826	2.6
233.09578	96.2
357.65927	2.8
395.14969	14.9
395.29025	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	395.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	9.4
55.01872	10.0
55.05511	28.4
57.03421	13.5
57.07059	8.8
63.58912	4.5
65.03929	9.8
67.05176	7.0
67.05506	76.9
69.03426	31.6
69.07082	30.1
70.06582	7.6
70.52700	4.0
71.04999	10.8
71.49070	5.4
73.02914	5.3
77.74667	3.7
79.05076	7.0
79.05500	82.1
81.03420	47.2
81.07063	100.0
83.04974	14.0
83.08604	13.2
85.02903	17.4
85.06553	8.0
88.02861	3.9
91.05495	73.9
93.07047	92.9
95.04977	20.6
95.08614	56.3
97.02898	15.4
97.06527	8.6
98.26780	4.0
99.04433	5.9
99.08074	5.8
105.07044	60.0
107.04954	9.0
107.08611	46.1
109.02910	4.5
109.06504	5.3
109.10167	35.7
111.04443	6.8
111.08103	5.0
115.05431	5.3
115.08704	9.9
117.07032	26.2
119.08582	48.4
120.08154	4.7
121.06510	7.6
121.10149	51.2
123.08049	9.3
123.11681	11.4
127.03928	9.8
129.07027	23.5
131.08560	37.0
133.06505	6.0
133.10143	39.7
135.08060	11.5
135.11661	35.5
137.09584	7.0
143.08583	17.2
145.06509	5.1
145.10168	28.5
147.11694	29.1
149.09610	12.6
149.13248	13.7
151.11186	5.5
155.08600	10.4
157.10114	22.4
159.08003	6.4
159.11671	27.3
161.09605	12.8
161.13286	13.8
163.11176	10.3
165.09109	4.6
167.08621	6.5
169.10120	8.1
171.08105	6.6
171.11681	23.9
173.09592	4.9
173.13252	17.6
175.11206	8.5
175.14787	7.0
177.09030	6.0
177.12712	6.9
181.10165	6.0
183.11639	9.5
185.13248	8.0
187.11211	9.6
187.14917	8.2
195.11867	4.6
197.13257	6.5
205.12277	4.5
211.11057	5.2
211.14740	4.8
213.12860	6.3
213.16338	9.6
215.17973	18.6
227.17940	5.6
231.17426	20.8
233.19008	14.1
247.20598	7.2
249.18549	6.8
253.19659	4.5
257.19077	7.5
261.18604	4.7
275.20056	17.0
287.20200	5.2
291.19507	5.6
341.21075	21.5
359.22202	19.9
377.23343	23.1
395.24792	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	6.6
54.31138	1.4
55.01859	3.7
55.05516	2.6
57.03442	8.6
58.06600	1.9
61.02929	14.7
62.02443	2.3
69.03430	38.6
69.86447	6.9
70.06593	26.6
71.04996	14.5
73.02904	6.0
73.06544	6.5
73.73738	1.4
75.00176	5.6
77.01743	3.4
81.03425	17.4
84.29820	1.2
85.02909	79.7
85.07658	2.1
87.01514	1.8
87.01966	12.7
87.02690	18.8
87.04469	6.6
88.07634	97.6
90.03753	2.1
91.03943	6.0
97.02893	26.6
99.04442	5.7
101.02351	2.1
105.03718	6.6
109.02888	9.0
112.98725	1.3
115.03852	1.4
118.99130	100.0
119.06403	1.4
120.04812	42.0
121.00656	2.8
122.66387	1.1
127.03936	19.0
129.04842	9.4
129.06544	1.6
145.04962	17.5
147.05875	9.9
157.09096	1.3
161.03807	16.7
169.34195	1.6
172.90199	1.5
173.03844	3.6
189.10577	77.6
191.04852	45.5
192.86435	1.3
233.09555	97.0
294.65500	1.5
395.14841	14.2
412.11194	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.3104
Annotation	Verarine
Peak:m/z	Relative Intensity
55.05509	0.7
57.07069	0.6
67.05504	1.2
69.07073	1.5
69.84756	0.8
71.08634	0.3
79.05486	0.5
81.07059	2.5
83.08613	0.6
89.06015	1.1
93.07047	1.4
95.08606	3.6
96.08903	0.2
97.10157	0.3
98.21418	0.4
101.58553	0.2
105.07027	0.3
107.08588	1.5
109.10162	1.6
114.04350	0.3
118.06522	0.4
119.08592	0.4
120.08089	0.2
121.10161	1.4
122.06070	0.2
123.11695	0.9
130.06564	1.2
132.08096	1.2
133.08609	0.5
133.10068	0.3
135.11700	0.9
137.13268	0.9
144.08076	0.9
146.06046	0.6
146.09637	0.4
147.06808	0.4
148.07579	1.2
149.13293	0.7
156.08047	0.7
158.06042	0.8
158.09668	1.2
158.10843	0.3
159.06766	0.8
160.07605	0.9
163.14720	0.4
170.09700	0.3
172.07574	2.3
172.11224	1.5
173.08420	0.3
174.09160	0.6
184.11255	0.4
188.10645	0.3
195.12259	0.6
196.11278	0.4
198.12744	0.4
209.11980	0.2
210.12639	0.2
212.14297	0.2
214.12346	0.3
216.18379	0.2
240.17538	0.4
242.15567	0.2
266.19086	0.2
336.23257	0.5
364.26169	0.3
376.30121	0.5
394.31058	100.0
395.26642	0.3
395.31476	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	394.2491
Annotation	Cyenopyrafen
Peak:m/z	Relative Intensity
57.07082	26.9
69.35563	1.1
69.35974	2.9
82.05334	3.9
83.06093	1.2
87.47057	0.5
89.06041	2.0
94.05295	0.7
99.46581	0.5
109.04014	22.9
109.07641	1.5
110.08424	0.6
111.09189	2.5
116.04977	1.0
126.04215	0.6
127.05061	10.2
137.07126	4.8
144.04486	1.1
155.08209	1.1
156.04501	0.7
171.09216	1.0
183.09157	2.6
184.07594	6.4
184.11223	1.0
195.12273	2.1
199.08693	2.0
209.10745	0.9
211.08733	0.5
226.09773	4.6
236.11786	1.5
238.09749	2.3
252.11417	0.8
253.12100	2.7
254.12907	33.5
255.13120	0.9
292.18103	2.4
294.16055	11.3
309.18350	11.0
310.19159	54.8
311.19415	1.2
394.24936	100.0
395.25296	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	394.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82360	0.5
57.07080	24.9
57.35465	0.4
58.07384	0.5
64.59985	0.5
69.07063	0.8
69.39072	3.5
71.08635	2.9
75.89396	0.4
79.05489	0.6
81.07051	1.0
82.05347	2.8
82.57426	0.5
83.06098	1.1
85.10182	1.8
87.04413	0.5
89.06033	6.1
91.05484	0.8
98.98445	1.0
107.08614	0.5
109.04003	19.0
109.07632	1.7
111.09203	2.8
111.62531	0.5
116.04954	0.5
122.04781	0.9
126.04272	1.1
127.05048	12.1
131.08551	0.6
133.08624	2.9
137.07118	5.6
143.07199	0.6
144.04442	1.1
155.01076	1.0
155.08157	1.8
156.04454	0.7
171.09239	0.5
183.09174	2.5
184.07585	7.6
184.11252	1.0
195.12346	4.5
199.08594	2.3
208.08583	0.8
209.10629	0.8
211.08580	0.8
226.09715	4.7
236.11908	1.5
238.09691	2.5
252.11617	0.8
252.14497	0.5
253.12151	2.7
254.12898	29.5
255.13373	0.7
266.12863	0.8
292.18051	1.0
294.15985	14.3
309.18332	11.9
309.97458	0.5
310.19128	46.1
311.19553	1.1
377.32645	1.0
394.24911	100.0
395.25296	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	394.1647
Annotation	Lucidamine A
Peak:m/z	Relative Intensity
55.01876	12.9
56.05039	2.2
58.99586	12.7
61.01142	2.4
62.99075	12.0
65.36458	1.5
67.05499	5.6
69.07072	75.7
71.28193	3.2
74.00676	15.9
76.02229	2.1
76.04006	3.8
83.06105	5.4
84.04507	57.8
85.01105	2.0
85.02930	1.7
86.99038	7.8
88.02206	9.0
93.07048	7.6
97.02854	1.9
99.05577	2.9
101.04245	19.7
112.03977	15.4
116.01682	50.6
117.03712	19.8
119.05292	32.7
127.05768	11.4
129.06598	12.3
130.05003	47.5
130.05972	2.6
137.06033	1.6
144.01137	22.0
144.08392	3.2
145.06889	31.9
146.05997	6.0
147.04399	1.6
162.02209	84.7
162.09492	14.1
173.06374	1.7
174.02275	3.4
177.03355	3.3
191.07324	2.6
225.15373	1.6
230.08466	43.3
247.11084	5.6
248.09529	100.0
265.12204	37.4
265.14609	1.4
319.13235	26.5
376.15378	3.4
394.11975	1.8
394.16644	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.9
55.01865	11.4
55.05499	7.2
57.03426	5.6
61.02909	7.7
67.05500	2.8
69.03090	2.8
69.03435	36.0
69.07072	31.2
69.36796	2.1
69.79126	1.9
69.83998	10.7
71.04999	4.6
73.02896	6.2
73.18489	2.0
76.33651	2.1
79.05473	3.4
81.03417	22.7
81.07064	2.2
85.02906	100.0
87.00832	41.8
97.02894	31.7
99.04452	13.3
105.01870	73.9
108.04482	2.3
109.02885	22.8
111.11692	3.6
117.01856	3.9
127.03922	73.1
128.76009	2.3
129.01842	3.4
145.03809	2.7
145.04959	44.9
159.02922	14.5
173.48489	2.0
189.03896	2.8
213.03964	2.3
231.05029	21.5
240.42178	2.1
249.06004	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	394.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.5
55.01865	7.1
55.05516	9.1
57.03437	7.1
61.02922	4.7
65.52431	1.5
67.05511	2.0
68.99791	3.0
69.03435	42.3
69.07072	50.9
70.01020	6.4
71.04993	6.3
73.02917	6.0
81.03421	24.4
81.07048	2.8
83.05002	1.8
85.02911	100.0
87.00834	51.3
93.07059	1.7
96.29716	1.8
97.02898	43.9
97.83997	1.7
99.04465	17.3
102.78312	2.0
105.01875	90.8
108.04456	2.5
109.02886	25.0
109.10171	2.0
111.11718	7.4
115.03904	2.0
126.05537	2.6
127.03924	82.6
129.01845	5.0
145.04968	52.9
147.02873	2.8
151.11221	1.9
159.02837	10.5
189.03955	4.7
213.04027	2.5
218.84901	1.9
219.13760	2.4
231.05014	28.0
242.28824	1.7
248.07660	2.1
249.06113	12.1
322.31082	1.6
341.16193	1.9
344.04941	1.6
387.79495	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
57.03439	0.3
61.02921	0.3
65.14198	0.3
69.03436	2.1
69.66543	0.3
70.06581	0.9
71.48122	0.4
73.02901	0.5
81.03428	2.2
84.04485	0.4
85.02909	2.8
86.09643	0.3
87.00836	1.0
91.05470	1.0
95.04983	0.4
95.06068	0.4
97.02878	1.7
99.04480	0.5
104.05032	0.3
105.01855	0.9
105.51702	0.4
109.02882	1.8
113.96418	0.3
118.82736	0.3
119.04948	0.4
127.03915	2.5
128.04282	0.5
137.05994	0.6
143.32069	0.3
145.04968	0.4
146.06012	100.0
147.04401	1.2
147.06335	1.5
151.03935	0.3
151.07535	0.3
152.04266	0.5
159.02965	0.4
163.03867	0.4
165.85249	0.3
232.05983	0.5
255.01712	0.4
266.08527	0.3
278.06564	0.6
304.83383	0.3
350.24042	0.7
394.12244	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02629	1.1
55.05509	11.7
57.07070	11.2
67.05511	11.4
69.07072	19.1
70.80502	3.4
71.08618	4.8
79.05481	5.9
81.07053	21.6
83.04992	2.1
83.08625	9.9
89.06011	2.1
91.05466	6.8
93.07037	15.2
95.04975	1.4
95.08604	30.4
97.06566	2.3
97.10172	2.8
98.98441	2.0
105.07022	11.9
107.08594	25.1
109.06497	2.1
109.09470	2.5
109.10153	24.3
111.08080	27.2
111.08792	2.2
117.07027	2.4
119.08584	27.2
121.10136	26.0
123.08075	17.8
123.11706	11.6
125.09641	1.6
129.07011	1.6
131.08572	4.6
133.10139	21.4
135.11684	28.5
137.08553	2.1
137.09619	39.4
137.13255	10.3
138.10397	21.0
139.11137	1.9
143.08533	3.8
145.10190	6.6
147.11670	8.8
149.02254	1.7
149.13264	13.4
150.02783	1.6
151.11215	2.4
151.14790	2.5
155.01041	3.1
157.10129	4.6
159.11696	6.4
161.13295	2.4
162.90611	1.5
163.14835	21.3
164.61806	1.3
164.81488	1.3
165.12750	12.2
171.11681	4.6
173.13277	3.7
175.14819	19.6
177.16383	5.2
185.13248	4.8
187.14833	4.1
189.16396	2.7
191.17979	1.4
193.15892	59.8
197.13208	1.6
199.14845	2.4
201.16441	5.0
201.18538	7.1
203.17957	3.9
211.14867	2.9
212.15582	1.7
213.16406	5.4
215.18022	4.0
217.19548	4.8
221.46176	1.2
226.17081	1.8
227.17984	4.6
229.19469	2.4
231.21164	4.4
241.19563	2.3
243.21098	3.0
255.21017	15.5
257.22729	8.8
269.22614	21.0
283.24219	4.3
295.24261	1.6
337.29074	1.8
393.35165	100.0
394.35577	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	393.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	9.8
53.89074	3.4
55.05511	18.8
57.07085	24.5
65.03941	5.6
67.05505	47.1
69.03416	4.2
69.07084	26.7
69.38447	19.5
69.38872	14.2
71.08633	14.0
79.05494	45.3
81.07061	62.9
83.05016	6.7
83.08634	14.0
85.10193	11.0
85.77647	4.0
89.06046	43.2
91.05486	68.3
93.07055	81.1
95.04971	66.9
95.08060	5.9
95.08615	57.7
97.06532	12.4
98.98407	5.2
105.07037	98.8
107.04915	4.6
107.08604	53.8
109.06526	13.6
109.10168	29.9
112.99985	3.9
114.15068	4.3
115.05495	4.5
117.07027	26.6
119.08580	100.0
121.06483	24.8
121.10162	33.7
123.11717	12.1
128.06204	16.0
129.07018	17.7
130.07771	9.5
131.08575	47.5
131.34991	4.2
133.06526	5.4
133.07715	5.2
133.08595	21.5
133.10136	58.5
135.08061	6.5
135.11725	23.4
141.07008	6.1
142.07803	22.7
143.08580	38.1
144.09337	10.9
145.10133	79.4
147.08000	4.6
147.11690	22.3
149.09595	5.4
149.13245	5.9
155.01059	9.6
155.08565	16.9
156.09349	14.1
157.10133	65.0
159.11719	44.5
160.08893	3.8
161.09619	14.6
161.13234	9.9
163.11264	4.5
163.62196	4.8
167.08560	7.5
168.09367	9.5
169.02579	5.5
169.10135	26.7
170.10915	7.7
171.11685	22.7
173.09563	4.6
173.13260	29.8
173.68167	4.3
175.11212	17.1
175.14859	18.0
179.08557	9.7
181.10175	11.4
182.10841	5.1
183.11746	24.3
185.09741	4.8
185.13293	16.7
187.11176	9.5
187.14871	11.2
189.12766	4.3
191.14314	5.0
193.10129	7.9
194.10942	8.6
195.11798	10.1
197.13292	12.0
199.14893	7.1
201.16307	6.9
205.10049	4.7
209.13206	14.5
211.14847	8.6
213.16341	5.6
219.17676	4.1
221.13339	6.0
223.14806	7.2
239.14838	6.8
241.19560	5.0
265.19461	9.2
271.20370	4.2
285.22247	4.2
375.26910	4.9
393.27515	27.6
393.32141	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
55.05518	4.7
57.03442	5.1
57.07076	31.4
58.08559	0.8
67.05506	11.8
69.07064	6.6
69.34180	2.8
69.34624	3.9
71.08634	23.8
79.05491	1.7
81.07055	17.1
83.08620	10.8
85.10193	14.4
91.05444	0.9
93.07043	1.8
93.44831	0.7
95.08609	24.8
97.10165	5.7
98.98468	65.3
99.11732	1.4
105.07005	0.9
106.88567	0.7
107.08579	0.8
109.10160	11.6
111.11700	2.0
123.11703	5.2
127.06471	0.8
137.13257	2.4
150.23129	0.7
151.14760	1.5
155.01045	100.0
165.16527	1.2
172.66705	0.8
189.42014	0.8
201.06729	0.7
205.08443	0.9
221.22668	1.1
239.23680	8.6
255.62029	0.9
275.15054	0.8
317.43430	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	9.6
55.05511	22.1
57.03451	6.6
57.07079	34.8
59.05011	2.9
63.24659	2.2
65.03931	4.0
67.05511	38.3
68.50100	2.6
69.07073	22.9
70.03963	8.8
71.05000	3.0
71.08639	18.8
79.05498	40.9
80.07690	2.6
81.07063	76.1
83.05000	6.9
83.08643	13.6
85.06535	3.5
85.10184	9.6
89.63116	3.4
91.05492	55.5
93.07049	73.0
95.04984	49.2
95.08621	69.7
97.06538	10.0
97.10168	4.0
98.98475	51.4
103.05530	4.2
105.04556	3.0
105.07038	100.0
106.07323	4.1
107.08607	46.4
109.06518	14.6
109.10164	32.0
113.00016	9.9
115.05452	3.5
117.07018	22.4
119.08590	87.4
120.24699	2.6
121.06518	21.5
121.10142	31.8
123.08098	5.2
123.11717	13.8
125.07720	2.8
128.06250	12.6
128.07156	2.9
129.07048	18.1
130.07785	9.2
131.08586	39.1
132.09303	3.7
133.10144	41.5
135.08051	6.9
135.11685	18.4
137.09633	6.2
141.06975	8.9
142.07803	22.1
143.08571	34.9
144.09311	11.5
145.06599	2.8
145.10136	61.4
147.08040	4.1
147.11693	17.4
149.09543	3.5
149.13249	3.1
151.66278	2.6
155.01050	75.5
155.08531	8.9
156.09351	10.7
157.10158	53.7
158.10880	7.9
159.08098	3.3
159.11697	46.2
160.12364	3.3
161.09598	13.3
161.13292	6.3
163.11119	4.2
165.06935	4.0
167.08458	3.0
168.09380	4.2
169.02654	8.1
169.10143	21.2
170.10954	4.8
171.11707	22.1
173.13307	21.7
175.11198	9.2
175.14804	13.2
179.08539	6.6
180.09247	2.8
181.10146	12.1
182.10838	5.3
183.11717	16.0
185.13289	12.7
187.11206	6.5
187.14851	10.7
189.16389	3.3
193.10149	7.4
194.10857	4.0
195.11749	11.9
197.13263	11.4
199.11392	4.1
199.14845	10.2
201.16454	6.9
207.11702	5.2
208.12276	3.8
209.13315	14.4
210.13889	3.5
211.14842	8.8
213.16354	3.0
217.16000	4.1
223.14638	6.3
225.16414	4.3
227.18022	3.2
227.34047	3.8
239.23676	5.4
253.15924	3.1
253.19458	3.3
258.02979	3.4
265.19681	3.9
267.21170	4.3
375.26746	3.2
393.27887	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	393.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	16.5
57.06841	6.8
57.07078	80.7
59.99112	34.0
67.05478	6.4
69.07060	11.8
69.62910	25.6
71.08628	9.0
79.05495	7.3
81.07043	15.9
83.08603	14.1
87.30695	4.7
91.05502	8.6
93.07044	10.6
95.04991	5.9
95.08612	35.1
98.98470	6.1
105.07027	14.3
105.42934	4.9
107.08568	15.2
109.10167	9.3
116.05316	63.5
119.08572	13.0
121.10165	9.0
123.11673	10.0
127.99642	5.0
131.08553	9.8
133.10132	8.3
135.08124	5.6
135.11765	10.1
145.10129	12.6
147.11711	8.4
149.13255	5.9
155.01057	13.8
159.11711	5.6
169.10141	5.7
172.11555	100.0
187.11153	5.5
204.08751	22.6
205.15926	11.8
260.99338	5.4
367.84235	6.6
393.27332	11.6
393.35175	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	393.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	13.0
54.69342	2.8
55.01868	6.9
55.05510	8.4
55.88565	3.0
56.96552	3.2
57.03426	4.3
57.07064	3.8
67.05504	13.4
68.99794	4.6
69.03436	57.9
69.07064	8.3
69.36356	24.5
71.04980	10.7
79.05500	18.1
80.05814	3.0
81.03419	65.8
81.07046	17.4
83.04998	9.4
83.08580	2.8
85.02910	58.7
87.00839	16.5
91.05484	12.7
93.07043	8.8
95.04993	7.0
95.08588	9.8
96.07195	2.7
97.02883	27.3
97.06555	7.6
99.04472	21.9
105.01926	3.6
105.07032	11.8
107.08577	7.3
109.02890	46.0
109.06513	3.2
109.10166	7.8
111.04431	4.5
119.08575	9.3
121.10143	8.2
123.04414	4.2
123.11700	3.2
127.02985	5.1
127.03920	100.0
131.08604	5.2
133.10153	4.4
135.11717	5.8
137.05875	3.5
139.03954	3.0
143.08571	3.6
145.04996	3.5
145.10126	12.1
149.13203	2.9
150.02795	3.8
157.10139	4.7
159.11720	8.2
169.05124	4.1
173.13309	4.2
187.06116	3.2
203.18002	3.2
213.03963	3.7
215.98384	2.9
216.10419	3.2
231.05032	6.4
301.18161	6.6
327.07117	10.0
390.11432	3.3
393.22827	6.3
393.35135	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	393.1164
Annotation	Chemomicin A
Peak:m/z	Relative Intensity
50.85218	1.2
51.60636	1.1
67.05498	2.3
69.03424	1.3
69.07049	1.4
69.82569	5.5
73.02922	2.4
73.06567	1.3
79.05481	1.6
80.05483	1.3
87.04449	1.3
89.06029	11.1
91.05478	1.3
95.04966	6.5
96.32350	1.1
97.06539	9.6
105.07020	1.4
113.51521	1.1
123.04441	1.3
128.06137	1.5
129.07018	1.8
133.08597	5.3
133.10059	1.3
135.04431	2.3
137.05949	1.2
138.09154	3.6
143.08510	1.8
152.06268	5.7
157.06490	2.0
160.05179	3.3
161.05928	3.1
163.03906	4.8
165.05606	1.6
165.06995	2.7
167.08589	18.3
173.02396	1.6
173.05920	1.7
174.06790	2.7
175.07574	7.1
177.11307	1.8
187.07521	1.7
189.09077	6.8
195.08089	22.3
198.06752	5.8
203.07123	3.8
213.09117	37.8
215.07059	3.5
223.07541	1.7
231.10164	14.2
241.08696	7.8
259.09680	23.9
271.04135	1.7
307.11334	3.6
349.12601	32.4
393.11597	100.0
394.11853	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	393.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12631	2.1
53.03956	11.4
55.01872	3.1
57.03436	19.7
57.07084	18.5
59.04983	7.1
59.10041	2.0
67.05504	29.0
68.99785	2.6
69.03433	63.1
70.03747	1.9
70.15092	8.3
71.05000	17.1
81.03419	60.4
84.41846	2.2
85.02908	43.0
85.06541	11.6
87.00833	14.5
95.04974	38.2
97.02898	19.4
99.04462	22.7
99.08073	5.9
101.06016	5.6
103.07581	7.6
105.01847	4.9
109.02889	50.3
113.06009	12.2
125.02338	4.8
126.01070	3.3
127.03922	100.0
127.07547	35.8
128.00818	2.5
131.07056	4.9
143.07056	2.5
144.02161	4.7
145.02400	2.5
145.04953	4.4
145.08598	6.8
146.01802	2.4
173.08130	21.9
175.07492	5.6
181.08585	2.5
211.09644	3.0
213.03889	3.7
229.10654	4.7
231.04962	17.1
253.10741	4.8
271.11975	3.0
357.11975	6.0
375.13016	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	392.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.3
67.05463	9.5
69.94469	10.8
69.94878	20.4
73.02898	5.9
79.05493	16.1
81.07056	100.0
85.02921	8.9
91.05453	7.5
93.07032	19.2
95.08592	16.5
96.36497	5.1
97.02875	6.2
97.06522	13.2
107.08577	18.1
119.08611	7.3
120.08072	10.0
133.10159	7.5
134.13103	4.8
135.04445	4.6
135.11703	49.9
149.02330	9.1
149.13306	7.5
154.07915	5.2
159.11671	20.6
163.03906	9.0
165.06198	5.2
177.12709	26.0
195.13826	64.9
323.03079	5.7
361.01559	6.1
388.99759	5.9
392.24341	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	392.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.3
67.05463	9.5
69.94469	10.8
69.94878	20.4
73.02898	5.9
79.05493	16.1
81.07056	100.0
85.02921	8.9
91.05453	7.5
93.07032	19.2
95.08592	16.5
96.36497	5.1
97.02875	6.2
97.06522	13.2
107.08577	18.1
119.08611	7.3
120.08072	10.0
133.10159	7.5
134.13103	4.8
135.04445	4.6
135.11703	49.9
149.02330	9.1
149.13306	7.5
154.07915	5.2
159.11671	20.6
163.03906	9.0
165.06198	5.2
177.12709	26.0
195.13826	64.9
323.03079	5.7
361.01559	6.1
388.99759	5.9
392.24341	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	392.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03263	0.3
57.07080	17.9
58.07396	0.3
64.28046	0.3
66.38516	0.3
69.48580	2.1
69.48977	0.6
71.08594	1.5
72.08929	0.5
75.51155	0.3
85.10146	1.5
85.10609	0.3
86.10536	0.4
87.04455	0.3
87.14582	0.3
89.06030	5.1
90.06324	1.0
95.08575	0.4
96.59394	0.4
98.21432	0.6
100.35040	0.3
107.07046	0.6
133.08563	1.4
134.08942	0.8
149.02255	0.5
150.02684	0.4
151.09631	0.4
169.07597	1.4
170.40375	0.3
179.24921	0.4
180.41856	0.3
186.04546	0.3
188.91553	0.3
195.12280	0.7
196.12634	0.7
197.07036	1.0
224.08174	11.5
225.10260	0.4
236.08182	0.9
250.09647	1.1
251.46010	0.4
252.11331	6.9
264.11325	12.1
265.12115	1.7
279.13718	0.9
280.14447	14.6
281.16623	0.5
292.14450	0.5
293.15149	0.8
308.17563	100.0
309.17975	1.9
316.30728	0.3
376.08710	0.4
392.23325	67.6
393.23654	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87287	1.6
53.64952	1.4
55.01870	3.2
63.92514	1.5
67.05514	2.4
69.03411	4.4
70.06275	2.1
70.06602	31.3
70.73508	3.4
73.02898	4.9
74.03790	1.4
79.05472	1.9
80.05032	4.1
81.03423	3.4
84.04496	5.8
84.08141	3.9
85.02901	4.3
86.09715	3.4
91.05461	4.1
94.06550	3.2
95.04974	4.1
97.02866	2.6
99.04472	2.1
104.04990	3.6
105.05758	2.4
106.06567	55.7
107.04942	2.0
107.08592	1.6
108.04509	2.0
109.02901	2.0
116.07095	2.6
120.08110	1.8
122.06046	10.5
123.04433	4.7
123.06789	1.6
124.05223	2.6
125.09705	1.6
126.01070	5.7
127.03919	3.4
130.04971	2.0
130.06445	2.1
132.04460	7.3
133.02856	2.3
133.05273	8.2
134.03616	3.5
134.06020	5.4
135.04341	2.3
136.07542	4.1
137.05988	2.6
139.03854	1.6
144.02133	9.7
145.02840	2.3
149.02356	6.7
150.02693	2.8
150.05507	34.1
151.06300	100.0
160.93794	1.5
163.03912	5.9
163.07475	1.6
165.04236	3.4
165.07025	3.4
183.08102	3.0
185.05957	2.6
193.06468	2.4
197.06052	2.4
207.07965	2.4
209.11452	1.7
211.07591	10.4
213.05522	10.0
226.06323	1.9
227.07039	4.4
234.96832	3.4
236.98033	3.5
239.07053	44.7
240.07857	17.8
248.94661	2.0
252.97685	3.2
253.08641	5.5
256.09656	7.0
271.09631	4.5
281.08020	10.9
287.09003	2.1
298.10730	14.7
299.09131	36.5
316.11844	82.3
316.15573	4.0
317.12164	2.2
360.10806	51.7
361.10715	1.7
374.19775	2.2
392.12646	2.4
393.15564	3.5
393.20178	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.4
56.05038	1.5
57.03443	13.3
57.07086	1.7
58.99587	10.2
63.22239	1.0
65.03934	1.1
70.65112	2.7
71.05009	1.2
76.02237	48.2
83.06096	3.7
84.04511	23.1
84.05036	1.2
84.08170	4.8
85.06554	21.2
86.99050	2.6
88.02205	2.9
89.00627	2.7
89.04298	1.0
91.05495	1.7
99.02692	5.2
112.03945	1.7
113.90868	0.9
116.01687	11.1
117.03730	100.0
125.04238	3.9
126.01454	1.0
129.06612	4.2
130.05017	12.9
142.03255	2.1
142.06874	6.5
143.05266	1.9
144.01183	4.4
144.10132	1.0
145.06100	1.3
149.02405	3.1
160.07927	19.2
162.02232	28.4
170.02843	1.1
179.04880	18.7
187.05391	2.0
188.07109	5.9
189.07904	3.3
215.04881	1.2
216.06616	1.1
217.07361	13.2
218.08063	2.8
228.07043	1.3
233.05922	6.1
245.09584	80.4
246.07898	5.3
248.40579	1.0
263.10669	5.5
317.11700	14.7
392.09793	16.6
392.14789	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	391.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.7
55.05506	17.1
56.94334	4.7
57.07064	17.0
65.03915	7.4
67.05487	29.4
69.07058	15.6
71.08645	10.3
71.49621	4.4
72.33114	4.1
79.05487	31.1
79.52779	4.3
81.07057	46.2
83.04976	7.7
83.08606	12.6
85.02922	6.4
85.06549	7.2
91.05484	51.2
93.07049	51.5
95.04971	71.2
95.08608	31.6
97.06528	7.3
98.98480	9.4
102.78103	4.8
103.05496	6.3
105.04521	4.4
105.07033	78.8
106.81395	4.8
107.08592	36.3
109.06525	12.4
109.10163	18.2
109.92600	4.4
113.96363	7.7
117.07027	14.3
119.04917	4.5
119.08578	63.9
121.06497	13.4
121.10140	23.3
123.08041	5.8
123.11696	5.1
128.06229	13.1
129.06993	21.4
130.07793	7.2
131.08546	33.1
131.74258	4.6
133.06496	5.3
133.10159	28.9
135.08040	8.1
135.11687	11.9
140.74803	4.7
141.06989	11.8
142.07784	17.2
143.08569	33.1
144.09326	7.7
145.10110	39.8
147.08049	5.3
147.11662	12.3
149.02336	72.9
149.09641	6.8
154.07884	4.2
155.01031	6.0
155.08548	20.0
156.09315	15.2
157.10135	44.9
158.10802	7.2
159.08012	8.4
159.11707	28.2
161.09633	11.0
164.56573	4.3
165.07021	12.4
167.03406	7.7
167.08585	14.1
168.09355	6.3
169.10117	32.6
170.10849	9.4
171.11702	34.7
173.09612	6.7
173.13248	9.4
179.08565	9.1
180.09328	8.3
181.10130	20.4
182.10886	11.6
183.11662	33.7
184.12399	4.6
185.09663	6.2
185.13249	23.0
187.11137	8.0
187.14809	17.7
192.09290	8.7
193.10104	21.9
194.10913	16.9
195.11694	36.0
196.12515	10.6
197.13278	22.0
199.11139	10.8
199.14868	8.2
205.10046	7.3
205.15829	6.5
206.10829	9.3
207.11726	31.9
208.12486	12.0
209.13309	24.9
211.14813	16.5
217.10170	4.7
219.11700	9.5
220.12500	7.2
221.13303	27.7
222.13989	7.1
223.14864	21.7
224.15446	4.1
225.16313	5.2
233.13190	11.7
234.13986	6.5
235.14847	13.6
236.15567	5.3
237.16086	8.9
239.14325	8.0
239.17879	5.5
241.15862	5.0
245.13222	10.4
247.14868	13.6
249.16382	23.8
251.17932	11.9
253.19611	5.3
263.17908	6.2
264.18643	7.1
267.17520	11.5
269.18826	7.6
273.16400	5.7
275.17911	12.2
277.19534	8.1
282.19775	12.0
285.16379	5.5
289.19571	6.8
307.20605	6.1
324.58032	6.0
333.58563	5.7
335.20163	5.4
345.09485	7.8
349.58041	7.9
359.09055	8.5
362.26251	5.9
373.25070	23.9
386.70309	4.4
391.26315	100.0
392.26501	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	391.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	7.5
53.13751	2.6
54.55522	2.7
55.01862	5.1
55.05524	16.7
57.07058	5.3
58.75599	3.0
62.11335	3.5
62.95920	2.8
67.05515	22.3
69.03413	3.4
69.07059	14.4
69.28952	7.7
69.29360	22.3
70.50073	3.4
79.05492	34.1
79.63158	2.6
81.07063	43.9
83.04980	6.1
83.08617	7.1
85.06530	5.5
91.05489	40.3
92.05761	3.0
93.07050	56.8
95.04977	67.9
95.08615	29.5
97.06515	12.6
97.10172	4.7
98.98493	6.6
103.05472	3.9
105.07037	76.0
107.08595	35.5
109.06518	9.9
109.10168	19.8
111.08079	3.8
115.05453	4.4
117.07005	11.0
119.08579	62.3
121.06505	13.2
121.10129	21.7
123.08043	6.1
123.11683	7.1
123.12514	3.1
128.06213	11.5
129.07025	15.6
130.07785	6.0
131.08575	26.7
133.10158	32.1
133.94972	3.2
135.08032	5.0
135.11719	9.3
141.06984	11.0
142.07787	20.6
143.08582	41.8
144.09273	5.9
145.10129	39.9
147.07977	4.6
147.11676	9.4
149.02361	24.0
149.09589	5.6
153.06958	7.6
154.07805	4.7
155.01036	5.9
155.08533	18.6
156.09337	19.6
157.10138	50.6
158.10886	3.8
159.08070	5.3
159.11703	28.3
161.09610	9.0
161.13292	9.3
163.11203	4.1
165.06981	14.3
166.07803	7.1
167.08551	13.3
168.09378	5.4
169.10147	32.2
170.10849	9.3
171.11690	36.4
172.12445	6.8
173.09628	3.5
173.13281	12.1
179.08574	15.0
180.09286	7.7
181.10100	24.4
182.10928	10.2
183.11688	32.5
184.12454	6.3
185.09636	6.6
185.13260	26.3
187.11136	4.8
187.14845	15.7
189.12770	3.2
192.09354	7.9
193.10156	19.1
194.10938	11.5
195.11674	34.7
196.12415	11.9
197.13255	28.3
198.14050	4.6
199.11183	11.7
199.14839	9.5
201.12614	3.5
203.14429	5.8
205.10072	4.7
205.15863	7.2
206.10878	11.0
207.11708	25.6
208.12425	14.2
209.13280	28.3
210.14020	5.1
211.14825	14.5
213.12721	8.3
217.10127	3.7
217.15933	4.7
218.10881	4.8
219.11707	10.7
220.12541	7.1
221.13322	30.5
222.14070	6.4
223.14819	23.1
225.16397	13.6
227.14418	3.4
229.15706	3.7
231.11621	8.3
232.12633	3.5
233.13292	13.1
234.13972	7.5
235.14819	16.0
236.15489	5.5
237.12767	4.5
237.16403	17.7
239.14270	3.9
239.17912	5.4
241.15816	5.1
245.13182	5.6
246.14053	6.2
247.14851	15.0
248.15491	6.9
249.16391	21.5
251.14273	5.0
251.17975	21.4
253.15866	5.5
253.19414	5.2
257.13257	5.0
258.14276	3.4
259.14838	11.5
260.15692	5.0
261.16397	6.6
262.17252	4.0
263.17953	9.4
264.18747	7.4
265.19522	5.8
267.17426	9.2
269.19022	7.6
273.16336	7.1
275.14340	3.2
275.17972	10.9
277.19464	9.4
279.17487	4.2
281.19031	4.4
282.19818	14.0
289.19556	8.3
291.17410	4.3
299.17801	4.5
315.20966	3.6
317.19159	5.3
321.58231	3.3
345.25818	7.9
355.23816	4.5
359.73935	3.3
363.26788	5.2
373.25232	42.9
391.26303	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42854	2.1
53.03930	2.1
55.01854	1.8
55.05508	8.0
57.07064	7.9
67.05515	10.8
69.07069	3.6
71.08611	3.2
71.48721	2.6
74.02381	1.8
79.05504	12.8
81.07065	24.4
83.04985	3.7
83.08617	4.1
85.06528	2.5
86.79945	1.7
88.13416	2.2
91.05482	21.0
93.07048	26.4
95.04973	27.2
95.08600	13.0
97.06555	1.8
105.07034	38.3
107.04945	1.9
107.08611	15.1
109.06498	5.5
109.10188	5.5
115.05451	2.9
117.07005	8.5
119.08593	31.9
121.06502	8.3
121.10151	15.9
123.08078	2.5
128.06261	5.2
129.07019	11.0
130.07805	3.0
131.08545	14.6
133.06487	4.4
133.10149	12.8
135.08029	3.8
135.11754	2.9
141.06979	4.4
142.07779	8.4
143.08559	15.6
144.09387	2.6
145.10117	25.5
147.08073	4.9
147.11707	3.3
149.02344	31.2
149.09666	3.4
155.08571	9.2
156.09354	7.1
157.10161	20.8
159.08081	6.1
159.11708	6.8
161.09607	9.6
165.06996	4.4
166.07880	2.5
167.03488	2.7
167.08557	5.3
168.09366	3.5
169.10095	11.7
170.10902	3.1
171.11650	14.8
172.12410	2.1
173.09619	6.6
173.13240	5.8
175.11166	4.4
179.08572	7.3
180.09303	4.0
181.10130	6.3
182.11003	5.4
183.11705	12.4
184.07356	2.4
185.13283	5.7
187.11237	3.3
187.14809	3.4
189.12848	2.9
192.09306	2.3
193.10135	5.8
194.10895	3.7
195.11713	11.4
196.12515	2.9
197.09636	3.3
197.13324	13.5
199.11195	3.3
199.14775	3.1
205.10130	2.1
206.10890	4.6
207.11685	11.2
208.12434	3.1
209.13261	13.0
211.11267	3.1
211.14825	7.9
213.12764	2.3
213.16440	2.5
215.14427	3.0
217.09993	3.4
218.10880	2.4
219.11732	4.3
220.12439	2.1
221.13304	8.1
223.11389	2.9
223.14850	6.0
225.12886	3.0
227.14294	2.7
229.15997	2.0
232.12552	3.8
233.13278	7.7
234.14175	2.7
235.14842	6.8
237.16460	4.6
243.11639	3.2
243.14235	2.3
244.12459	2.2
245.13252	4.2
247.14865	3.3
249.16324	5.4
251.14400	3.1
251.17963	3.6
259.14914	3.1
261.16608	4.5
263.17969	4.0
267.17651	2.2
273.16354	3.3
275.18048	2.5
279.17487	3.6
282.19687	2.6
291.17456	3.8
293.18906	2.3
297.18561	5.5
303.17477	2.2
317.19083	2.9
329.32498	3.1
335.19983	5.7
355.24115	2.4
373.25159	12.9
391.25439	100.0
391.35791	3.1
395.82190	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	391.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.0
55.05511	11.5
57.07078	5.5
58.97577	2.5
59.04982	3.6
65.28972	2.7
65.82755	2.6
67.05518	13.7
69.03434	4.9
69.07057	9.0
69.65408	15.2
71.04970	3.0
77.03928	2.7
78.03268	2.4
79.05495	31.2
81.03426	5.3
81.07059	39.6
83.04964	5.0
83.08620	4.3
83.82465	2.4
84.33699	2.5
85.06571	5.3
91.05496	35.0
93.07044	42.3
95.04980	44.8
95.08614	21.1
97.06549	4.7
103.05482	3.0
105.07034	68.3
107.08591	24.6
109.06521	9.8
109.10156	8.8
111.08119	3.0
115.05435	5.1
116.06235	3.2
117.07027	18.1
119.08595	55.1
121.06496	10.9
121.10153	25.1
123.08086	3.5
123.11716	2.4
128.06230	13.5
129.06970	15.6
130.07809	5.5
131.08588	30.1
133.06522	3.5
133.10136	21.5
135.08070	7.7
135.11719	5.0
137.09637	3.0
141.06967	13.8
142.07805	17.4
143.08554	35.1
144.09325	4.9
145.10144	40.4
147.08090	6.0
147.11667	12.5
149.02347	20.1
149.09596	5.8
153.07016	4.2
154.07770	4.7
155.08601	13.1
156.09296	13.0
157.10164	38.9
158.07262	3.2
158.10912	3.6
159.08058	7.7
159.11726	21.0
161.09589	9.8
161.13214	4.8
165.07011	9.4
166.07706	3.0
167.08583	11.0
168.09418	3.3
169.10146	27.0
170.10828	6.0
171.11740	15.3
173.09601	6.3
173.13277	14.6
175.11224	5.5
175.14888	3.6
179.08562	14.9
180.09258	5.8
181.10129	13.6
182.10945	10.3
183.11697	19.9
185.09677	5.7
185.13341	12.7
187.11217	4.0
191.14330	5.8
192.09372	7.8
193.10107	15.3
194.10922	11.0
195.11766	17.6
196.12483	10.2
197.09564	4.8
197.13257	17.5
199.11177	6.5
199.14813	10.0
204.09329	3.2
205.10152	7.9
206.10883	8.1
207.11690	22.5
208.12442	5.2
209.09718	3.5
209.13251	22.3
211.11180	5.2
211.14796	11.1
213.12718	7.3
215.14377	3.1
217.10146	3.4
218.10927	6.1
219.11652	7.7
220.12456	8.2
221.13220	17.8
222.14035	5.7
223.11307	4.0
223.14833	9.7
225.12726	5.5
225.16391	3.7
227.14297	5.2
230.10873	3.5
231.11700	6.6
233.13261	13.9
233.15373	7.0
234.14020	4.8
235.14838	9.5
237.16534	4.6
239.14372	3.3
243.11728	4.1
244.12418	4.0
245.13345	6.4
246.14001	5.0
247.14774	9.3
249.16449	16.0
251.14278	3.0
251.17859	3.7
259.14767	5.3
260.15649	3.9
261.16367	7.0
263.17880	8.2
264.18726	3.5
267.17273	5.9
273.16315	5.7
274.17239	3.7
275.18005	5.8
277.19385	5.3
279.17520	4.2
281.19006	3.1
282.19754	10.4
285.16238	3.0
289.19559	4.4
291.17523	7.7
293.18900	6.9
295.20557	4.3
297.18503	7.6
305.23044	3.0
307.20468	3.6
317.18854	3.8
317.52844	3.4
335.20081	5.4
363.26828	4.8
373.25153	19.8
391.26297	100.0
391.35977	5.0
392.26627	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90857	4.2
55.01879	6.1
55.05509	11.2
57.07070	11.1
67.05499	13.9
69.03444	9.1
69.22097	16.4
69.22523	29.1
71.05007	26.1
71.08624	15.6
73.06570	6.8
79.05489	14.5
81.03416	5.8
81.07060	20.4
85.02897	11.3
85.06551	9.6
87.00809	5.3
91.05475	15.7
93.07030	12.7
95.04967	10.4
95.08604	13.5
97.02891	15.3
97.06549	8.0
97.10193	8.3
98.21555	9.0
105.07046	14.8
107.08611	41.7
109.06528	8.9
109.10157	9.8
117.07011	7.9
119.08595	13.0
121.10135	8.1
123.08121	4.3
124.11948	4.1
125.09637	50.8
125.10474	6.6
127.03944	10.5
131.08580	12.9
133.10104	7.1
137.06009	6.4
137.09660	8.4
143.08553	6.5
143.10678	51.4
144.09315	4.6
145.06468	5.7
145.10112	9.3
147.08087	5.1
149.02364	100.0
157.10161	6.8
167.03438	11.1
167.10666	9.5
171.11758	7.0
173.13275	4.4
195.91754	4.9
222.25977	5.0
242.99280	4.6
299.20111	4.9
391.25842	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	391.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	9.3
65.03931	5.2
67.05501	11.9
67.81772	4.6
69.03416	4.3
69.07066	9.5
69.94214	14.7
69.94626	8.6
71.08634	9.1
73.21904	4.4
79.05509	34.3
81.07059	16.1
86.91533	4.1
91.05478	29.1
93.07056	21.2
95.04955	10.0
95.08607	16.6
97.06517	24.9
98.20812	5.3
100.11253	9.3
105.07044	39.6
107.08590	100.0
108.08090	4.4
109.06521	6.1
109.10153	5.4
111.04497	4.7
117.07015	8.7
119.08578	19.3
121.10123	6.6
128.06248	7.4
129.07028	7.4
131.08534	37.8
133.10143	18.1
134.91939	4.7
135.08017	5.2
139.81563	5.2
141.06998	5.2
143.08571	15.5
145.10114	53.2
147.04425	5.2
147.11688	20.1
149.02350	58.5
149.09665	6.9
155.08563	5.5
157.10159	11.3
159.08105	9.0
159.11674	22.0
161.09636	10.1
162.99002	4.4
163.03966	10.9
163.11052	5.5
167.03391	6.1
171.11714	5.5
173.09633	36.0
175.11157	9.6
177.12881	5.0
183.11732	6.2
185.13316	5.7
187.11212	7.6
191.10686	15.7
197.13347	7.5
230.66115	4.6
253.19521	26.7
259.09790	9.8
271.20563	19.3
295.06119	13.7
319.20758	9.8
337.21661	33.6
355.22711	42.6
373.23679	22.9
391.11697	19.2
391.16202	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	391.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68100	0.6
55.01853	0.8
55.05501	0.9
58.20385	0.7
58.99580	1.1
64.42854	0.7
67.05507	1.5
69.43985	5.5
70.06594	1.4
72.97173	0.7
76.02225	2.0
77.84765	0.8
78.01796	2.6
79.05480	2.3
81.05787	1.5
81.07042	1.7
91.05470	3.0
93.07082	1.0
94.06565	1.7
95.04990	1.1
96.08137	9.7
98.21555	1.3
104.04976	1.5
105.07034	3.8
106.06554	1.8
107.07314	1.7
110.83875	0.8
118.01210	0.8
119.08577	1.6
120.08119	3.8
121.10137	1.0
122.09681	6.1
124.07591	2.3
131.08563	3.7
132.08910	0.9
133.10147	1.2
134.06038	15.7
136.07574	2.5
146.00671	0.9
148.07550	2.3
149.02330	5.1
150.05513	3.2
152.07071	88.2
153.07315	1.1
164.01721	1.6
164.07025	6.6
164.77522	0.7
166.08629	6.6
168.06573	52.9
169.06819	1.0
175.11180	2.0
177.22801	0.8
179.04825	1.2
180.05190	1.3
181.04370	3.8
182.08154	0.9
192.06567	8.0
193.12296	1.1
194.08133	100.0
195.08456	1.6
206.34915	0.7
210.07619	70.6
211.07851	1.1
213.05406	0.9
213.09920	0.8
225.10252	2.5
257.12936	1.2
285.12274	1.6
347.15955	1.3
373.13763	5.8
380.08301	0.8
391.14706	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	11.0
55.01872	10.5
55.05503	12.0
57.03430	6.9
57.07062	6.7
63.26339	4.4
67.05494	6.1
68.36008	4.1
68.69978	3.9
68.99791	6.7
69.03438	29.6
69.67002	24.1
71.04987	39.7
71.78992	3.9
73.06546	5.4
79.05486	8.4
81.03416	25.1
81.07069	6.7
83.04961	13.2
83.08636	6.4
85.02911	69.1
85.06538	12.0
87.00856	25.0
91.03931	4.7
91.05475	9.9
93.07053	6.5
95.04984	33.8
97.02905	14.8
97.10162	15.7
99.04466	10.9
105.01848	13.2
105.07028	4.5
107.08596	54.9
109.02880	23.3
109.06512	8.5
117.01860	5.6
119.08579	8.0
121.06516	4.6
121.10120	5.3
125.09641	81.4
127.03923	36.7
129.01817	7.5
131.08476	5.5
133.10162	5.0
137.09615	7.1
143.10680	100.0
145.04958	9.1
149.02382	23.3
149.09682	7.8
159.02858	14.3
159.08041	4.7
159.11678	7.6
167.10689	36.0
209.11708	8.0
233.11714	13.2
238.18385	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	390.249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	19.6
55.41197	7.8
57.03426	9.2
67.05490	13.8
69.07062	17.1
70.06625	11.8
70.19760	38.4
79.05486	32.1
81.07055	21.3
84.08169	10.3
91.05484	22.2
93.07038	28.6
95.08600	30.2
97.06550	42.2
100.11279	20.6
105.07021	67.9
106.01079	9.1
107.08571	32.5
119.08611	57.5
120.08115	12.7
121.10197	9.2
123.11762	14.4
133.10144	91.3
135.11702	39.5
136.97243	8.2
139.03841	10.4
147.11694	13.9
163.03792	11.9
173.13699	10.4
175.11330	14.7
175.14841	100.0
177.35286	9.4
182.15413	11.9
193.12152	10.7
193.16006	10.0
210.14903	14.6
276.72986	10.2
300.40494	11.4
320.87326	9.8
346.16483	10.1
363.19952	9.5
364.19803	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03912	1.8
61.02914	2.5
66.23227	2.1
69.03394	2.0
69.94736	8.2
70.99858	2.9
77.00895	3.8
81.07053	6.7
82.99844	6.0
85.02899	3.2
95.01906	2.1
97.02896	3.1
101.00890	56.3
103.35890	1.8
107.04944	2.2
113.00851	10.9
119.01931	63.5
131.01906	19.7
133.03448	4.0
137.02946	3.1
141.03940	2.8
143.01894	6.3
144.02672	2.4
145.03549	4.6
149.04445	4.3
153.03986	2.2
155.01875	6.0
157.03459	5.7
159.04964	2.9
161.02979	8.0
167.05586	8.7
169.03476	2.4
171.05051	2.9
173.02989	6.9
175.04659	2.9
183.05066	14.6
185.06615	23.0
193.03439	7.6
199.04503	4.7
201.06078	9.6
203.07697	14.8
209.06564	8.4
211.04526	32.7
215.04068	2.5
220.06874	14.4
220.56969	3.7
225.06113	8.8
227.07657	48.6
229.05597	34.8
229.07680	2.8
235.06630	8.9
247.06615	2.7
253.05573	46.3
253.08037	3.9
265.05695	3.8
269.08746	3.9
271.06650	100.0
272.06854	2.5
277.05270	2.0
283.06598	11.1
289.07547	2.5
291.05704	3.4
301.07672	14.7
301.10934	4.1
304.11908	2.8
313.07520	3.0
317.10645	2.6
329.10947	10.5
331.08719	4.8
345.10077	4.0
373.09750	14.2
391.11200	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	19.0
57.07093	10.0
63.53270	8.4
67.05513	9.9
69.07077	13.6
70.03360	31.4
79.05491	27.2
81.07061	18.9
83.08600	13.2
91.05470	28.3
93.07041	26.8
95.08601	37.8
97.06516	23.6
100.11274	22.6
102.51827	8.9
105.07044	63.6
107.08574	29.1
113.09662	9.0
119.08579	76.3
123.11729	8.8
131.08519	11.3
133.10138	99.1
135.11652	52.7
147.11679	17.4
149.02370	9.6
175.11281	10.8
175.14821	100.0
177.05313	7.4
182.15346	10.4
193.12230	14.1
193.15852	15.6
203.63550	7.9
210.14952	16.9
390.18677	9.0
390.26617	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94802	0.8
57.15541	0.7
57.29693	1.1
60.93690	0.7
67.05499	2.9
70.82230	1.2
70.82562	1.8
79.05157	0.8
79.05505	7.0
81.07051	3.1
91.05476	2.7
92.25297	0.7
93.07064	0.9
94.06584	1.0
95.04962	0.9
96.08131	10.0
97.06516	1.8
98.09697	1.0
103.05472	1.1
105.03370	1.6
105.07022	3.6
107.04967	5.7
111.08085	1.1
115.05454	6.8
117.07018	11.5
119.08569	1.0
122.20904	0.7
124.07616	2.3
128.06235	2.2
128.10695	1.6
129.07033	4.0
130.07848	1.0
130.10667	0.8
131.08578	2.8
136.12480	0.8
137.05986	1.8
141.07013	2.3
143.08563	7.7
144.05797	0.9
145.06485	13.0
145.10143	8.4
153.07036	1.6
155.08574	3.4
157.06487	1.3
157.10138	1.2
158.09645	1.6
159.08052	1.6
165.06995	1.4
167.08588	2.0
169.06517	1.4
169.10139	3.3
171.04413	6.3
171.08086	7.4
171.11719	1.4
173.05997	2.9
173.09624	5.0
178.07809	1.0
179.08600	4.3
180.09370	1.5
181.10123	1.6
183.08087	2.3
183.11710	1.5
186.09117	2.9
189.05469	3.2
191.08624	1.0
192.09358	2.4
195.11749	2.5
197.06010	4.8
197.09549	1.0
197.13342	2.3
198.09102	1.0
199.07634	1.5
200.07143	1.1
202.08595	2.8
205.10112	2.6
207.11769	4.8
212.07013	0.9
214.08632	38.5
214.11996	1.4
222.12782	1.0
223.11195	3.2
224.10742	1.0
225.12794	2.7
230.11783	2.9
233.09637	1.1
240.10432	1.0
242.11726	10.4
250.12328	1.7
251.10709	1.6
253.15874	1.9
266.11737	1.0
267.12531	1.3
268.13324	29.0
268.16196	1.6
296.16501	10.0
299.15140	1.6
300.15948	100.0
301.16367	2.1
316.19067	4.0
318.17084	2.0
328.19070	47.6
346.23132	6.1
361.09485	1.9
372.13748	1.5
372.18091	19.2
390.13269	2.3
390.19043	2.3
390.25735	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
65.17902	2.8
65.22556	2.7
67.05505	7.0
70.06579	2.7
71.08601	3.2
79.05512	4.2
81.07055	8.8
88.07648	2.7
91.05478	10.6
93.07030	8.0
95.08628	3.2
97.06530	2.6
98.21544	6.2
107.08610	3.3
117.06979	4.8
119.08600	18.0
120.25746	2.6
131.08557	12.7
133.10155	3.8
135.11716	3.4
143.08566	16.3
145.10147	10.1
147.11673	9.0
155.08510	5.0
157.10172	18.6
159.11655	5.9
171.11774	7.2
173.05867	2.8
185.13278	11.5
199.14842	13.7
209.13210	3.4
254.15506	3.8
255.13812	8.3
272.16464	100.0
300.19595	71.1
327.30737	2.9
328.32242	3.6
344.18594	41.9
368.57660	3.1
389.12613	3.3
389.23346	6.0
390.35855	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	390.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07080	5.9
58.06609	2.0
67.05516	2.5
70.06605	19.5
71.08630	2.1
71.22265	1.9
72.08153	1.6
73.25822	1.2
78.57514	1.2
81.07027	1.4
84.08153	1.8
85.05762	1.1
86.09727	2.8
88.07655	7.8
91.05501	2.2
93.07111	1.2
102.09195	4.0
105.07057	1.7
117.07043	3.1
127.13805	1.4
132.10214	8.8
143.08571	1.8
146.11789	7.9
158.23204	1.2
171.08069	1.9
179.19963	1.2
214.08649	18.5
239.14980	1.1
240.26843	2.1
268.13391	12.0
284.29492	14.1
300.15958	31.8
328.32150	34.8
390.35849	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1742
Annotation	Kanzonol E
Peak:m/z	Relative Intensity
53.03951	1.7
55.01867	1.0
55.05515	6.2
57.98785	1.1
58.99590	16.0
61.04181	0.6
67.05508	6.6
69.07084	1.5
69.15410	7.9
71.04993	2.5
76.02232	69.0
76.03977	3.6
77.03905	0.9
79.05501	16.3
81.07063	12.4
83.04990	4.2
85.02905	1.3
85.06536	0.8
86.99043	4.7
88.02233	1.3
91.04910	1.5
91.05485	28.5
93.07054	17.0
95.04967	2.1
95.08567	1.1
97.06538	1.5
99.38943	0.9
105.04505	0.9
105.07040	52.2
107.08607	10.5
109.06495	2.1
115.05469	1.5
116.01683	26.0
116.02509	1.4
116.06232	2.4
117.07037	1.7
119.04926	1.1
119.08598	16.9
121.06535	0.7
121.10158	14.0
128.06235	0.9
129.07010	8.6
131.08577	51.4
133.06454	1.2
133.10141	29.2
135.11676	5.7
142.07797	4.0
144.01151	13.5
145.10133	7.0
147.08061	2.2
147.11707	15.8
149.09619	5.3
157.10156	8.2
162.02216	57.0
163.11186	6.9
166.69777	0.9
167.10707	0.9
175.09630	0.9
175.11192	28.6
179.04868	100.0
180.05223	1.0
181.12230	7.6
193.12251	14.8
211.82401	0.8
389.17087	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	389.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50204	1.5
53.03960	2.9
54.03889	1.9
54.86477	1.7
55.01867	1.9
55.05506	4.0
58.99583	19.1
65.03957	3.4
67.05503	4.3
68.99799	2.1
69.03435	2.4
69.07063	5.0
71.05002	3.9
71.29934	1.7
71.48624	2.1
74.00663	3.6
76.02235	14.3
76.03999	3.0
79.05500	13.4
81.03423	2.1
81.07058	9.0
81.89019	1.7
83.04978	4.5
85.02917	2.4
86.99059	13.9
88.02241	3.1
91.05487	42.7
93.07053	12.9
94.78008	2.0
95.04973	16.1
95.08621	3.1
97.06528	2.6
99.08161	1.8
105.07038	46.0
105.07702	3.4
107.04977	9.9
107.08601	5.8
109.06525	6.0
109.10171	2.6
116.01687	51.6
119.04960	21.1
119.08596	15.7
121.02877	6.3
121.10125	2.9
123.04440	5.5
124.04759	2.1
125.06017	3.1
129.07043	4.1
131.08577	12.5
133.06487	3.1
133.10144	94.2
137.05991	7.2
139.03886	3.8
139.07552	3.9
144.01146	25.8
145.10149	4.1
147.04420	74.8
147.08150	1.7
147.11690	24.5
149.09747	1.7
151.03917	2.8
151.07545	3.3
151.11203	4.9
154.81749	1.8
155.64291	1.7
157.10139	2.3
162.02214	100.0
163.03922	2.6
165.05493	6.5
165.12637	1.7
169.06386	1.9
175.11215	13.2
179.04887	20.9
181.12152	1.9
191.10658	4.5
193.12268	37.9
211.13376	3.1
225.07693	3.3
253.53654	2.1
268.13660	5.8
287.27594	1.6
296.13232	8.1
304.04816	1.9
315.05148	1.7
354.13779	2.2
372.14725	12.8
389.08759	7.1
389.13107	3.0
389.17450	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	388.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96284	6.0
53.56877	6.0
54.50899	7.9
55.01860	9.0
67.05511	19.0
69.07062	18.8
69.36483	21.4
69.36906	40.4
71.04983	19.6
79.05492	41.9
81.03414	21.7
81.07084	11.0
83.04936	7.8
85.06544	17.3
91.05467	44.2
93.07033	28.4
95.04968	16.0
95.08601	16.0
97.06544	87.6
98.21490	14.3
105.07020	30.5
106.06567	7.9
107.04971	12.1
107.08588	27.7
109.06530	7.2
111.08037	8.9
117.07024	18.0
119.04907	13.8
119.08546	17.6
121.06474	19.2
121.10165	37.3
123.04433	19.9
129.06981	23.6
131.08562	15.8
133.10147	75.3
135.04469	10.3
135.08057	17.1
136.83995	7.3
137.05977	24.9
139.03914	45.4
147.11685	19.9
149.13298	14.4
161.05954	22.3
173.09616	7.0
173.13266	21.7
175.13399	7.3
191.14304	82.2
192.06699	6.9
203.07051	11.3
224.07423	26.6
235.09656	100.0
286.69019	7.7
300.19547	9.3
306.81213	8.7
327.16208	8.5
335.11102	8.5
344.22229	85.1
345.22519	9.0
353.17557	9.7
388.12286	8.9
388.20197	35.6
388.25598	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	389.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00265	0.2
50.88730	0.2
51.02383	0.3
53.03941	1.1
55.01863	0.3
55.05510	0.4
62.71653	0.2
65.03944	2.1
67.05501	0.5
68.27333	0.2
68.99793	1.4
69.03394	0.3
69.07054	0.3
71.49013	0.3
73.67795	0.2
77.03898	0.2
79.05509	0.5
85.02895	0.4
85.16941	0.2
87.00827	1.9
91.05488	12.9
93.03419	0.6
95.04974	14.5
97.02912	0.2
97.06516	0.3
105.04516	0.7
105.07039	0.8
106.07348	0.6
108.28976	0.2
110.06054	0.3
111.04424	0.7
119.04948	30.1
121.02877	11.8
123.04429	0.4
125.02367	0.7
128.06232	0.3
133.56863	0.3
136.03911	0.4
139.03897	6.1
140.74411	0.3
147.04417	100.0
148.04770	1.0
162.17262	0.3
165.05490	6.3
181.75813	0.3
187.07613	0.3
189.01826	0.8
189.05359	0.3
207.02914	0.4
211.07242	0.3
245.08063	1.1
257.07977	0.2
273.07590	1.0
285.07697	0.4
389.08688	7.0
389.13013	0.4
389.21634	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62854	2.6
53.03949	7.5
55.01862	8.1
57.03432	6.6
58.48563	2.7
61.02930	5.8
64.33157	2.7
69.03430	34.0
71.04986	4.4
73.02937	6.9
81.03425	25.9
85.02905	100.0
87.00838	42.7
91.03979	3.0
96.23723	2.7
97.02906	29.0
98.20726	5.4
98.69449	3.2
99.04464	9.3
105.01866	56.6
105.07034	8.3
108.04428	2.6
109.02892	29.3
117.01898	2.8
127.03917	66.8
129.01851	4.3
135.14206	2.8
145.04973	38.4
159.02864	15.5
166.23807	2.8
189.03961	5.0
231.05025	22.5
249.06010	4.2
399.66125	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	388.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	7.0
55.01869	10.4
55.46668	3.8
57.03438	6.5
60.64835	3.8
61.02909	5.5
65.75395	4.2
67.33581	3.2
69.03433	32.1
69.78204	6.9
69.78618	14.1
70.92059	3.4
71.04983	4.1
73.02908	8.3
76.00958	3.6
77.61379	4.2
81.03425	23.3
85.02910	100.0
87.00828	46.3
97.02900	28.5
98.20717	3.8
99.04447	9.5
105.01872	57.0
105.07027	15.7
109.02884	40.3
123.04419	4.0
127.03926	69.6
134.99925	3.6
138.12665	4.5
145.04977	48.2
159.02925	14.1
231.04932	26.7
249.05960	5.4
262.02881	3.7
270.07907	5.1
333.44568	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	388.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.5
67.05500	1.9
69.07079	1.4
69.85722	3.2
73.62189	0.8
79.05487	3.1
81.07037	1.7
83.04977	1.6
91.05482	7.0
93.07056	1.6
95.04947	1.1
95.08618	1.2
96.08142	4.0
97.06514	2.6
98.21432	0.9
103.05455	6.5
105.07056	7.0
106.06566	0.8
107.04977	1.0
110.84153	0.8
115.05432	1.2
116.06248	1.6
117.06999	2.0
119.04950	2.2
121.06542	0.9
123.04402	1.6
124.07578	1.9
128.06215	1.2
129.07028	6.4
131.04933	14.8
131.07387	1.2
131.08569	16.5
133.06488	3.5
133.10103	1.0
136.07658	1.1
139.11208	1.7
141.06985	3.9
143.08572	3.0
145.06519	1.3
146.05963	0.8
146.09657	2.5
147.06821	6.1
148.07596	4.2
148.11255	1.1
154.06602	0.9
155.08557	3.3
156.08105	1.4
157.06453	4.0
158.09729	0.9
159.04410	2.4
159.06831	1.6
159.08075	3.1
161.06004	1.6
164.07144	1.0
165.07033	1.1
167.08582	1.8
169.06445	1.5
169.10103	1.7
171.08032	1.0
174.09146	3.9
176.07089	17.7
176.10715	19.3
177.07823	3.1
177.11476	2.7
178.07811	2.3
181.10121	1.1
182.06029	0.9
183.11693	2.6
187.03926	8.2
187.07603	1.2
188.07208	0.9
188.10796	1.0
189.09081	1.1
190.08652	1.0
193.10155	2.7
197.09648	0.9
202.08641	66.4
204.10208	7.5
205.10994	13.4
206.11809	1.6
211.11104	1.9
214.08621	1.2
218.15413	4.1
224.07358	0.9
228.13849	1.7
230.08139	44.4
230.11496	5.2
238.12285	1.5
239.10661	1.8
242.08194	1.4
246.14807	1.0
247.15727	1.3
256.13434	6.4
258.11316	1.9
266.12079	1.6
267.10156	3.6
273.13498	1.0
284.12851	39.8
284.16327	3.2
285.13034	1.1
300.19601	1.2
312.15869	6.8
315.18210	4.0
316.15454	100.0
317.15768	3.9
344.18500	25.2
344.22232	89.9
388.24832	42.5
389.12164	0.9
391.22189	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.3
56.05029	3.4
58.90786	1.7
60.08377	1.8
69.03433	6.8
70.06588	6.2
71.01363	2.3
71.21379	1.7
79.90650	1.9
84.04491	3.4
85.02905	6.2
93.03438	3.6
95.01386	2.4
106.02923	2.6
107.01340	16.9
124.00393	1.9
135.00789	14.2
137.02391	2.6
148.02428	1.9
152.03369	3.8
153.01820	3.1
159.04359	2.7
164.02402	2.5
177.01868	3.1
179.03424	2.5
189.01846	7.5
192.06297	2.2
194.04575	2.6
195.12308	3.3
202.99777	5.0
205.01364	3.8
206.04366	4.2
207.02850	7.3
217.01357	4.8
220.02406	20.7
221.00815	27.2
223.02382	5.4
231.02936	4.1
234.03986	6.1
235.02271	10.8
238.03534	16.1
239.01929	4.5
243.02991	5.1
249.00385	15.1
253.03360	4.0
261.03818	3.7
263.01901	4.3
264.04993	2.1
266.02927	25.9
267.01389	56.0
271.02539	2.3
276.05069	13.0
276.07547	2.6
277.03409	3.2
279.01660	4.5
279.04999	4.2
280.04623	4.6
284.03940	5.4
288.05118	5.6
289.03226	2.7
304.04559	6.9
305.02972	13.6
306.05997	7.0
316.04312	2.6
317.02853	7.1
322.05588	34.4
324.07037	5.6
334.05585	12.7
335.03998	6.4
340.06683	6.5
352.06647	42.8
353.05219	6.6
370.07730	100.0
371.07919	2.4
388.13257	2.7
409.40402	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	10.6
55.01868	11.8
57.03426	8.8
61.02911	9.7
68.99779	5.8
69.03438	31.2
71.05004	6.6
73.02911	8.1
76.02232	8.8
77.23560	3.1
79.05489	3.9
81.03077	2.7
81.03428	31.2
85.02909	100.0
87.00827	39.7
91.05476	4.5
97.02306	3.9
97.02901	55.7
99.04475	16.1
105.01878	38.8
105.07001	5.4
108.04496	7.6
109.02892	36.3
115.03996	3.6
117.01885	2.9
119.08641	3.8
123.04443	14.4
125.59727	3.3
126.05537	4.6
127.03932	67.8
129.01794	5.7
131.08592	7.5
145.04955	39.5
147.02899	3.3
157.10059	3.2
159.02855	19.3
162.02132	3.8
163.03946	8.4
165.05536	2.9
179.04886	13.0
186.55254	3.0
190.08646	3.6
224.07323	16.7
231.04979	7.5
270.07648	5.5
316.38571	3.4
338.06845	6.2
388.11887	6.3
388.21417	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	388.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.4
55.01868	1.9
57.03430	5.0
61.07114	1.5
69.03431	42.5
70.06599	1.7
71.01340	1.7
71.04987	6.5
71.48549	1.8
81.03423	31.5
83.01329	2.8
85.02904	52.9
87.00832	30.8
87.04469	4.1
95.04988	3.2
97.02894	73.1
99.04459	24.0
101.02358	2.2
105.01869	21.5
105.07052	7.5
109.02873	8.4
115.03963	2.5
117.62486	1.4
119.04930	2.1
123.04404	8.4
124.42516	1.5
127.03920	100.0
133.06497	1.7
133.10168	1.8
145.04965	60.4
147.04414	6.8
158.54645	1.6
162.02187	1.8
163.03918	1.7
165.05438	1.9
213.03963	2.8
224.07426	5.4
226.08417	2.3
231.05005	51.6
236.07245	1.8
249.06052	20.9
254.08228	10.2
360.10699	2.1
374.67001	2.0
388.11890	1.8
407.55179	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.362
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	13.7
57.07064	18.5
63.20517	4.6
67.05491	24.2
69.07064	36.8
69.34458	47.0
75.57896	5.0
79.05492	10.9
80.95293	5.2
81.07054	76.2
83.08620	20.3
91.05470	12.2
93.07057	37.2
95.04993	5.4
95.08607	100.0
97.10147	16.0
107.08577	41.1
109.10140	62.9
119.08636	12.1
121.10147	35.3
123.11713	35.9
133.10097	6.8
135.11710	42.0
137.13245	26.2
149.13272	20.3
151.14807	8.7
159.11754	5.9
161.13278	7.6
163.14828	28.1
165.16391	8.7
167.03287	5.7
177.16373	27.8
191.17949	21.5
191.76706	5.3
231.21185	6.8
238.08563	6.3
247.24236	16.0
253.61304	5.5
278.28558	6.0
330.41827	5.3
369.35040	29.6
384.86984	5.7
387.25211	5.9
387.32285	15.2
387.36667	11.9
393.90732	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	387.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	18.2
57.07081	12.1
66.14331	2.1
67.05508	26.3
69.07071	37.8
69.84705	4.4
69.85098	6.5
71.08627	3.3
79.05502	10.9
81.07059	90.1
83.08616	21.2
85.06540	8.8
91.05472	6.8
93.07044	22.1
95.08611	100.0
97.06526	2.3
97.10162	9.6
97.32278	2.2
99.08084	5.7
105.07030	11.0
107.08589	36.1
109.10162	53.1
111.08057	2.3
111.11723	6.7
113.45454	2.2
119.08562	10.0
121.10148	31.8
123.11716	46.7
125.13313	3.9
127.11226	2.2
133.10133	8.3
135.11700	24.3
137.13263	45.4
139.11188	9.1
139.14853	3.6
139.93077	2.4
146.47137	2.4
147.11691	8.4
149.13264	27.7
151.14828	5.9
161.13240	6.3
163.14854	29.3
167.14314	4.3
175.14812	5.6
177.16379	6.2
179.17963	4.3
189.16402	2.7
191.17982	14.7
193.14265	2.2
193.15877	5.1
203.17932	3.3
205.19490	11.3
207.17458	11.5
208.25320	2.4
217.19498	3.4
219.21121	6.8
235.20515	2.3
287.27481	2.3
342.12344	2.4
343.33545	7.0
387.36237	54.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46526	0.2
51.02382	0.4
53.03953	1.1
55.05510	0.3
64.51342	0.2
65.03924	0.2
67.05520	0.2
69.03425	0.3
69.07069	0.2
70.67381	0.2
70.67716	0.4
78.68146	0.2
79.05496	5.1
79.56231	0.2
81.03415	0.7
81.07063	0.3
83.04971	0.3
86.26339	0.2
88.60150	0.2
91.05479	0.5
93.07061	0.6
95.04980	0.7
97.06544	0.2
103.05473	2.6
105.07037	100.0
106.07372	1.3
107.08565	0.3
119.04946	1.6
119.08563	0.2
121.06557	0.3
121.10109	0.2
127.03944	0.2
175.01593	0.3
331.13071	0.3
343.15179	0.2
351.49216	0.2
387.27307	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.253
Annotation	12alpha-Hydroxy-3-oxochola-4,6-dienoate
Peak:m/z	Relative Intensity
53.03934	6.4
54.40862	3.7
55.01861	5.1
55.05519	23.7
57.03421	5.0
58.28946	3.2
65.03947	3.0
65.05154	2.8
67.05516	32.7
69.03425	8.6
69.07076	19.7
70.06596	39.9
71.04983	6.4
79.05517	25.0
81.03416	12.8
81.07059	40.5
83.04972	10.5
83.08607	7.7
91.05494	30.9
93.07049	28.2
95.01311	5.4
95.04959	14.6
95.08624	25.3
97.02895	4.4
97.06505	11.1
98.21621	7.6
105.07051	37.4
107.04943	7.0
107.08585	20.9
109.06580	3.7
109.10139	14.8
111.04452	4.4
115.05441	5.5
115.08703	48.1
116.07085	5.1
117.07007	19.6
119.08573	26.8
121.06535	4.1
121.10131	11.3
123.04444	7.9
123.08054	7.7
128.06226	9.7
129.07028	23.6
131.08580	30.9
133.06534	5.8
133.10159	19.1
135.08047	5.4
141.06958	8.5
142.07776	4.4
143.08565	18.2
145.06493	7.2
145.10114	25.3
147.08060	4.2
147.11720	10.3
149.13245	3.8
151.07596	5.5
155.08545	8.1
157.06432	5.1
157.10100	14.0
159.07973	10.4
159.11679	12.4
161.05902	7.0
161.09575	6.7
161.13266	7.0
167.08559	6.7
169.10123	10.0
171.08009	9.2
171.11693	19.3
173.09579	4.6
173.13223	12.0
175.07500	4.0
179.08533	4.9
181.10098	6.9
183.11702	7.9
185.09532	7.9
185.13275	12.4
187.11124	4.6
187.14769	4.8
195.11687	5.2
197.09627	6.1
197.13251	7.3
199.11162	6.8
199.14781	6.4
201.08919	3.3
201.12653	4.4
211.11206	4.5
211.14861	5.1
213.12762	4.0
215.14345	4.0
217.12340	3.7
225.12767	5.0
231.13786	5.7
313.17932	4.6
313.21674	4.8
327.23117	9.0
333.22021	3.7
341.24951	9.0
351.23090	16.0
351.29868	7.1
369.24286	83.3
369.31088	5.6
387.25333	100.0
388.25366	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	386.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.9
55.01865	4.2
55.05503	14.6
59.40655	4.4
67.05505	23.1
69.07056	9.6
70.66209	3.9
75.04482	38.9
79.05499	32.9
81.03413	4.9
81.07056	63.5
83.04984	5.9
83.08632	5.6
91.05480	39.7
93.07046	49.0
95.04953	12.4
95.08613	43.1
97.06521	11.7
101.42567	3.6
105.07035	100.0
107.08603	57.3
109.06502	9.1
109.10133	12.1
117.07020	13.4
119.08590	46.9
121.06517	10.7
121.10136	8.1
123.08115	7.4
128.06194	9.0
129.06984	14.9
131.08540	33.1
133.06552	5.1
133.10104	22.7
135.08049	10.4
136.08894	3.9
137.06012	6.8
137.09671	5.9
139.11180	3.9
141.06992	7.4
142.07791	6.2
143.08566	30.6
145.10138	32.6
147.08029	5.7
147.11671	13.3
149.02380	4.6
149.09656	8.5
153.07004	4.7
154.07765	8.3
155.08542	56.3
157.10130	25.3
159.08043	5.6
159.11710	18.1
161.09619	9.6
161.13243	6.4
167.08444	6.3
169.10126	30.0
171.11710	10.9
173.09604	9.2
173.13235	10.1
175.11110	7.3
175.14774	8.2
177.12704	4.2
181.10173	5.6
182.11006	4.0
183.11722	7.1
185.13252	14.7
187.14787	14.4
196.12573	6.4
197.13284	7.4
199.14842	14.8
201.16455	10.7
203.14395	5.0
211.14862	11.8
213.16260	5.6
215.14249	10.7
228.95541	4.9
229.15878	8.8
241.16010	7.5
259.16873	16.6
265.21127	4.3
277.17987	6.5
351.57483	4.6
386.09973	5.2
386.23312	25.2
401.36261	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	386.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94533	0.5
53.03949	1.4
53.45445	0.6
55.01868	0.8
57.03430	1.3
58.06604	1.6
59.04985	1.2
61.02910	2.0
65.18349	0.6
66.20451	0.7
68.05025	0.7
69.03430	5.4
71.05833	1.6
73.02910	1.1
79.05498	1.6
81.03416	2.7
81.69573	0.5
85.02909	13.2
87.04464	1.3
91.05473	3.7
97.02883	5.1
99.04483	0.7
103.05463	4.7
105.07042	16.6
107.04948	1.9
109.02854	0.7
117.06976	0.7
118.06562	6.3
119.07302	0.7
120.08115	13.2
122.04253	0.6
127.03901	2.0
128.06238	1.6
130.06526	1.4
131.04910	2.1
131.07309	1.0
131.08586	0.8
132.08105	1.4
138.05489	0.6
143.08591	1.2
145.05013	2.1
149.06035	0.7
160.11232	59.6
161.11481	0.8
174.52634	0.7
178.12286	54.8
179.12639	1.0
188.10521	0.7
206.11819	9.0
215.95711	0.7
217.14046	0.6
224.12823	100.0
225.13126	1.8
248.12849	1.1
350.16217	1.1
368.17014	0.9
386.12988	0.8
386.18130	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	386.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.3
57.03442	14.4
59.05007	60.5
61.02932	7.8
69.03439	75.5
70.06593	10.5
71.48186	9.3
72.08147	7.9
73.02900	11.7
81.03421	18.9
84.04508	6.0
84.08140	7.0
85.02912	100.0
85.73196	5.2
86.09689	5.5
87.00822	7.4
87.04475	46.8
91.03998	6.2
91.05502	7.0
93.07017	6.5
97.02904	69.9
99.04445	7.6
103.07578	9.7
109.02895	11.5
110.06055	39.6
113.02389	5.5
115.03931	69.9
120.04485	6.3
127.03923	26.5
131.03392	7.9
131.07057	47.0
133.04979	87.5
138.05521	59.8
145.02855	5.7
145.04973	35.1
145.10190	6.3
147.04475	11.0
148.03114	6.6
150.07712	5.7
162.02258	10.8
163.03955	8.8
163.06012	20.1
197.05869	6.8
207.12312	14.7
217.05312	5.0
217.07300	8.6
218.08214	8.6
253.05048	6.1
271.91696	5.1
283.05939	7.6
324.08588	9.0
335.47363	5.8
336.11130	5.5
342.09781	17.8
343.30756	5.1
386.12311	7.5
387.07623	6.4
387.16409	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	385.3462
Annotation	Isoglaucanone
Peak:m/z	Relative Intensity
55.01868	15.2
55.05507	14.9
57.07061	8.4
67.05497	24.0
69.07067	22.2
71.04987	8.6
79.05497	15.0
81.07059	59.4
83.08609	12.0
85.06535	14.8
91.05473	12.4
93.07046	36.3
95.08611	96.6
97.06541	10.3
97.10160	6.8
105.07022	17.6
107.08591	35.1
109.10152	53.3
111.08075	75.1
117.07032	7.0
119.08559	21.3
121.10155	40.8
123.11695	26.8
131.08589	8.0
133.10123	22.4
135.11743	31.4
137.13260	39.3
144.81374	7.4
145.10071	10.8
147.11694	9.4
149.13280	33.4
151.14845	7.3
159.11621	17.7
161.13315	9.9
163.14748	13.3
165.12740	21.6
175.14771	9.6
177.16302	10.1
179.14323	9.2
187.14748	11.2
189.16418	10.7
203.18024	8.7
205.19536	25.0
217.19562	7.9
240.86667	6.2
247.20659	8.3
385.29642	16.7
385.34680	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.0
55.01863	4.1
56.81545	1.1
57.03434	2.4
60.04520	1.0
61.02918	2.0
69.03433	11.6
69.07088	1.3
70.05762	0.9
70.94065	2.0
71.05002	1.5
73.02921	3.4
81.03419	12.6
81.07016	1.0
83.57701	0.9
85.02908	31.6
87.00839	11.7
91.03987	1.1
91.05489	4.1
93.07056	3.8
97.02896	13.7
97.06530	3.1
99.04466	5.0
103.03937	1.1
103.05466	3.5
105.01876	9.5
105.07027	1.6
106.06547	1.6
107.04954	2.9
108.04497	3.2
109.02873	10.6
117.54048	0.8
119.08595	1.1
120.04483	1.4
121.06509	100.0
122.06969	0.9
122.09677	2.7
126.05518	1.1
127.03931	22.2
129.01857	1.7
137.06004	1.1
138.05457	1.8
145.04962	11.8
145.69875	1.0
159.02934	6.8
163.07619	1.0
169.04355	0.9
177.03979	1.0
183.08064	1.1
184.25450	1.0
189.03941	1.1
195.01016	6.0
210.03529	1.1
211.07497	1.0
228.04465	2.0
229.08540	2.0
230.06563	1.8
231.05028	4.0
265.08862	6.5
283.09912	12.1
306.11630	1.3
363.05585	7.7
369.13046	1.1
381.06897	2.3
386.07379	1.2
386.16016	1.5
386.23300	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.6
55.05502	14.5
57.07060	10.3
58.09445	3.5
59.04991	6.3
67.05495	14.8
68.58875	3.5
69.07051	7.6
69.83168	8.1
69.83580	11.9
71.04977	5.1
79.05485	22.8
81.07059	24.8
83.04987	7.4
83.08607	8.3
85.02888	3.9
85.06538	10.2
91.05484	25.0
93.07054	32.8
95.04961	14.8
95.08609	26.4
97.02908	5.3
97.06528	11.3
98.20914	5.2
99.04446	6.6
105.07036	41.1
107.08604	44.8
108.05749	3.4
109.06513	14.9
109.10137	7.7
111.04467	8.1
111.08087	19.4
112.98974	3.3
115.05441	4.4
117.06996	14.2
119.08578	45.1
121.06509	11.0
121.10135	10.1
123.08067	42.6
125.09662	4.4
129.06987	11.8
130.07777	5.4
131.08582	41.2
133.06541	7.4
133.10120	24.0
135.08054	15.5
135.11720	21.6
137.05978	29.4
137.09653	6.1
139.07530	4.5
143.08568	13.5
144.09274	10.1
145.06471	10.4
145.10132	39.7
147.08069	14.7
147.11705	11.6
149.09561	17.6
149.13307	4.4
151.07538	75.1
153.08998	4.7
155.10670	5.1
156.09259	5.1
157.10109	12.9
158.07292	4.6
159.08061	20.3
159.11693	46.0
161.09641	9.6
162.10434	4.3
163.07536	4.7
163.11218	32.5
165.09119	10.6
169.10091	5.9
171.11690	8.1
172.08841	7.6
173.09692	9.4
173.13290	6.5
177.09123	22.9
177.12737	28.1
181.10034	4.2
181.12300	4.9
183.11696	4.2
185.13289	5.4
187.11163	38.4
189.12737	11.3
190.02945	3.7
191.14377	6.2
193.05080	4.3
199.11179	6.8
203.14246	6.5
205.12250	49.2
207.13861	5.3
209.15439	4.9
213.12766	5.2
217.12242	9.0
221.15340	8.3
225.12764	4.0
227.23752	3.5
233.15381	7.3
243.13770	4.6
246.16228	5.1
247.16792	4.4
286.19238	20.7
329.13635	5.0
367.22687	12.0
385.09079	5.3
385.23712	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.8
55.01864	5.0
55.05512	13.3
56.34623	1.9
57.03422	3.0
57.07067	6.9
63.39519	2.1
67.05183	2.5
67.05505	26.1
69.03410	7.9
69.07067	11.4
69.80894	9.1
71.04958	3.1
71.08643	11.8
75.65656	2.6
79.05488	26.0
81.07056	35.0
83.04961	5.5
83.05412	2.4
83.08625	4.7
85.06531	5.5
91.05480	24.9
93.07046	42.0
95.04971	13.9
95.08606	23.7
96.05740	3.4
97.02898	14.2
97.06549	13.7
99.08082	8.4
101.90656	2.5
103.05479	2.0
105.07043	17.6
107.04955	2.6
107.08595	13.5
109.06536	19.8
109.10170	11.3
110.01353	1.8
111.04416	15.0
113.06001	4.5
116.06239	2.4
117.07024	3.0
119.08564	14.7
121.06519	15.1
121.10132	18.2
122.59438	1.9
123.04440	10.1
123.08061	8.1
123.11677	5.8
124.05170	5.9
125.05981	4.1
125.09633	3.4
129.06952	3.7
131.08565	17.5
133.06499	3.7
133.10143	5.6
135.08049	6.7
135.11668	2.8
137.05936	3.6
137.09592	3.6
139.11151	4.4
141.88808	2.2
143.08545	5.3
145.10081	5.5
147.08049	4.6
147.11697	4.1
149.02316	7.7
149.09642	12.7
151.07532	5.6
151.11197	4.9
157.10164	3.1
159.11748	4.8
161.09628	3.7
161.13255	5.5
163.11150	4.4
163.14903	2.2
165.12756	15.5
167.10672	4.9
169.10175	2.2
171.11746	3.8
175.11186	5.0
179.14220	4.2
181.12231	100.0
185.09741	2.5
187.14868	2.2
189.12703	5.5
191.14284	2.7
193.04976	3.9
200.75523	2.6
213.12640	2.7
229.57504	1.9
246.02446	2.4
258.65714	2.4
263.16318	3.2
273.79352	2.2
277.21640	4.3
287.20178	2.5
289.21625	17.4
293.20880	2.8
305.21103	24.3
333.24585	2.3
346.88013	2.2
351.25290	69.7
351.29617	3.6
385.09113	5.4
385.16336	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	383.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	21.3
57.07083	20.5
63.09174	3.7
67.05511	42.0
69.06788	3.5
69.07078	33.3
69.25281	26.5
69.25697	10.6
71.08627	14.3
79.05496	24.8
79.05898	4.1
81.07056	84.9
83.08624	23.3
85.10174	7.9
91.05472	23.9
93.06551	5.3
93.07060	46.6
95.04975	14.7
95.08611	100.0
97.06521	5.3
97.10159	15.8
98.20813	8.1
105.07040	40.7
107.08595	45.9
108.83699	3.7
109.10162	69.4
111.11668	5.4
117.06963	5.3
119.08587	35.9
121.10160	28.0
123.08083	38.6
123.11660	18.4
129.06894	3.9
131.08589	4.4
133.10156	33.6
135.11710	46.4
135.19621	3.6
137.13266	12.2
145.10138	9.4
147.11688	69.3
149.13272	26.4
151.14856	8.8
159.11702	12.8
161.13271	49.5
163.14857	10.8
165.16527	5.3
173.13182	6.9
175.14850	20.1
177.16347	7.0
187.14861	4.4
189.16418	16.8
201.16452	6.1
203.18019	10.8
205.19531	4.3
205.80789	4.0
215.17923	11.7
229.19542	5.5
236.07283	4.0
241.48401	4.1
243.21133	10.4
247.24210	4.0
257.22623	11.7
259.24005	4.3
273.25836	8.4
275.27380	5.6
287.27319	6.4
365.32007	7.5
382.84317	4.2
383.32858	34.7
383.36746	99.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2372
Annotation	Mutisicoumaranone D
Peak:m/z	Relative Intensity
55.01870	2.7
55.05509	6.8
57.03433	4.5
57.07072	8.6
61.02920	3.9
67.05511	10.4
69.03434	5.7
69.07066	5.9
71.05003	5.6
71.48575	2.7
71.48965	3.1
79.05492	8.8
81.07048	13.6
83.08633	9.3
84.08148	100.0
85.02921	3.8
85.06544	7.4
87.23804	2.6
89.17041	2.6
91.05486	17.7
93.07046	22.0
95.04959	8.5
95.08636	15.9
96.95108	2.9
97.06535	9.8
98.21618	2.6
99.04456	3.1
105.07030	25.6
107.08607	30.3
109.06516	8.9
109.10142	7.5
111.04435	3.3
111.08069	11.9
115.05474	3.4
117.07020	8.5
119.08598	28.4
121.06540	5.2
121.10141	13.9
123.08091	19.3
123.11739	3.1
125.09665	4.5
129.07013	5.5
130.07748	3.9
130.08638	7.5
131.08551	20.4
133.10104	9.4
135.08067	7.0
135.11693	20.1
135.59949	2.8
137.05994	13.9
137.09622	4.2
139.07623	3.4
142.07784	3.9
143.08568	8.9
144.09341	7.7
145.06532	4.1
145.10135	22.3
147.08086	10.0
147.11650	7.2
149.02394	4.5
149.09593	8.5
151.07555	55.1
153.09093	5.2
155.10654	3.4
156.09390	4.1
157.10162	10.2
159.08044	13.4
159.11679	30.7
161.09683	6.1
163.07608	3.5
163.11176	14.8
165.09161	7.1
169.10127	6.8
171.11670	6.9
173.13293	3.2
177.09129	6.7
177.12750	14.3
185.13269	3.6
187.11186	19.8
189.12755	8.7
191.14510	3.8
193.04985	4.1
195.11722	5.0
199.11230	3.5
201.12773	3.3
205.12221	28.4
207.13853	7.0
211.11092	4.3
217.04877	3.8
221.13354	3.3
221.15408	9.0
229.07434	3.6
247.17017	6.1
256.41351	3.2
286.19241	8.8
322.31042	7.6
367.22647	9.6
385.09854	3.4
385.23669	60.8
385.34338	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	383.3307
Annotation	Dendronesterone A
Peak:m/z	Relative Intensity
51.46321	0.5
53.03934	1.1
53.50963	0.6
55.05508	2.4
55.88308	0.4
57.07062	1.2
67.05508	11.5
68.46899	0.5
69.07068	1.6
69.53832	2.9
74.95416	0.4
79.05499	3.9
81.03412	0.7
81.07059	8.1
83.08609	1.1
91.05489	3.0
93.07048	16.7
95.04974	4.9
95.08613	22.7
97.10171	1.0
103.05469	1.0
105.07041	9.3
107.08591	3.6
109.06502	0.8
109.10175	4.1
117.26524	0.5
119.08607	1.8
119.36171	0.5
121.10149	3.5
123.08072	100.0
123.11707	2.1
124.08402	1.2
125.09662	0.6
131.08562	0.8
133.10162	1.4
135.11726	1.5
137.09647	0.7
137.13269	1.5
145.10152	1.4
147.11716	1.0
149.13269	2.1
157.10170	0.6
159.11739	1.7
161.13261	1.0
163.11237	0.7
163.14893	1.4
173.13258	0.6
175.14847	0.7
177.16444	1.0
187.14923	0.6
189.16345	0.6
191.14287	0.9
191.18005	0.8
200.57635	0.5
230.60828	0.6
240.40294	0.5
285.25513	0.6
327.07834	0.9
337.29120	0.7
365.32022	0.9
383.33099	41.8
384.33395	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77560	5.7
55.05504	20.9
57.07070	31.2
59.62080	4.5
67.05510	45.7
68.72625	4.8
68.74087	5.0
69.07070	30.8
71.08614	15.2
71.49597	6.4
72.89739	5.1
76.45181	5.4
79.05480	21.0
81.07056	64.6
83.08632	29.0
85.10184	9.9
85.85039	4.6
91.05469	25.1
93.07051	44.9
95.08614	76.5
95.47896	5.0
97.10158	22.2
99.99110	4.4
105.07045	47.9
107.08594	44.8
109.10162	58.0
111.11700	6.4
113.09554	4.5
119.08591	32.7
121.10138	23.9
123.11705	21.3
131.08578	8.9
133.10147	32.6
135.11700	48.5
137.13268	14.9
145.10107	11.8
147.11682	68.3
149.13235	22.5
151.14848	6.0
159.11687	8.8
161.13261	64.5
163.14836	11.4
175.14787	21.1
189.16389	12.4
201.16484	6.5
203.18033	11.2
207.33096	5.1
215.17848	7.2
217.19376	6.5
229.19556	6.2
243.21074	9.0
247.24216	10.3
257.22552	6.4
286.48923	6.0
383.32806	16.8
383.36893	100.0
398.48813	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	383.3308
Annotation	7-Dehydrodesmosterol
Peak:m/z	Relative Intensity
50.47439	2.0
52.50392	2.5
53.15630	1.8
55.05513	15.1
56.21171	1.9
57.07069	6.6
59.85267	2.2
67.05508	20.0
69.07077	23.4
69.54161	12.5
71.04994	4.8
71.08653	3.2
72.62363	1.9
79.05482	13.3
81.07059	42.8
83.08623	12.6
89.95139	2.1
91.05447	11.7
93.07045	19.7
95.08001	3.5
95.08606	54.6
95.85646	2.0
97.06525	4.7
97.10164	9.5
105.07038	18.6
107.08606	26.2
109.06567	2.3
109.10162	28.4
111.08080	3.0
111.11735	2.4
117.07125	3.8
119.08586	26.2
121.10160	28.0
123.11689	20.4
129.06953	3.6
131.08557	12.6
133.10130	21.2
135.11708	13.7
137.09587	2.2
137.13286	14.6
143.08586	6.9
145.10126	16.8
147.11717	14.8
149.09561	2.1
149.13269	13.7
151.14864	8.0
157.10147	8.0
159.11694	22.1
161.13298	11.8
163.14821	6.4
171.11707	8.2
173.13242	14.4
175.14851	11.1
177.12653	2.5
177.16388	5.5
183.11621	2.5
185.13281	6.5
187.14851	8.9
189.12737	2.4
189.16434	5.6
191.17996	6.5
199.14835	9.0
201.16437	7.6
203.18002	5.6
205.15871	5.1
205.19463	4.4
211.14941	3.5
213.16382	10.7
215.18022	6.7
217.19623	4.4
227.18015	6.5
229.19609	5.7
231.17410	6.5
231.21098	3.8
241.19449	3.3
243.21069	5.6
245.19034	6.4
255.21033	3.2
257.22858	2.5
259.20630	3.1
269.22632	5.0
271.20685	2.5
271.24280	2.4
273.22064	3.3
285.22031	3.0
286.31238	2.5
287.23749	7.1
295.24237	2.7
299.23633	3.2
301.25406	3.7
313.25320	5.0
327.07947	6.8
327.23413	2.3
327.27014	3.0
365.31958	21.6
383.33109	100.0
384.33469	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	383.2582
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
50.85372	3.1
53.03942	6.7
55.05510	13.8
57.07070	11.0
59.04993	6.3
62.46583	2.6
65.03921	3.8
66.90572	3.0
67.05502	23.8
69.03428	15.2
69.07065	10.7
70.61646	7.9
71.04983	8.1
79.05495	26.9
81.07067	33.6
82.65305	2.8
83.04979	9.4
83.08611	5.2
85.06546	4.7
91.05481	49.4
93.07045	100.0
95.04990	28.1
95.08620	29.2
97.06540	14.3
105.07036	82.7
107.04954	2.9
107.08605	45.7
109.06515	21.1
109.10165	19.6
111.08070	10.6
115.05379	4.7
117.07021	12.2
119.08591	48.6
120.09383	4.5
121.06519	12.5
121.10152	44.7
123.08094	32.7
123.11725	3.5
125.09664	2.6
128.06247	6.9
129.07001	12.2
130.07793	4.0
131.08569	31.8
133.06456	8.7
133.10147	28.6
135.08054	23.1
135.11687	5.5
137.09616	10.2
140.57156	2.4
141.06996	4.8
142.07800	22.0
143.08569	24.1
144.09317	4.0
145.06425	4.0
145.10141	36.0
147.08052	25.1
147.11745	14.6
148.08850	3.3
149.09653	28.7
151.07547	37.2
153.09102	6.1
155.08549	7.5
156.09354	9.7
157.10138	36.0
159.08049	7.7
159.11693	17.8
160.08797	3.5
161.09654	19.2
161.13304	6.5
163.11195	6.5
165.07002	3.7
165.09143	33.5
169.10130	7.6
170.10962	4.8
170.92815	2.6
171.08087	2.7
171.11664	10.6
173.09639	12.0
173.13266	10.2
175.11185	21.0
175.14859	11.0
177.09125	12.6
178.09695	3.1
181.10103	4.0
182.10780	2.5
183.11693	8.2
185.13295	20.6
187.11125	7.5
189.12767	11.4
194.10950	4.0
195.11627	6.3
197.13239	10.9
198.14085	3.4
199.11221	5.1
199.14752	5.9
201.12775	9.9
203.14336	29.7
207.11955	4.1
207.13702	13.6
209.13258	9.0
211.14864	6.1
215.14374	9.5
216.15005	3.3
219.13773	5.5
221.13306	3.8
221.15353	70.6
223.14778	5.0
224.21558	3.5
225.12851	2.6
225.16490	3.7
227.14403	5.9
233.15379	6.0
234.16115	11.4
241.15889	2.7
267.17502	2.8
271.16864	3.0
281.19000	5.7
286.19272	7.6
287.20013	12.1
299.20175	6.5
303.19495	7.3
309.18558	3.2
320.79333	2.9
327.19772	3.4
365.24710	14.8
383.25809	73.9
401.74573	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	383.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.4
55.01887	2.9
55.05523	17.7
57.03412	3.4
57.07070	10.4
57.07321	2.3
59.04991	6.9
64.89843	2.2
65.03932	3.0
67.05510	36.4
69.03432	18.3
69.07066	10.2
71.04991	7.3
79.05499	34.8
81.03405	4.0
81.07056	36.3
83.04978	9.1
83.08616	4.6
85.06556	6.0
91.05479	40.4
93.07051	100.0
95.04992	27.2
95.08067	3.8
95.08617	42.7
97.06541	12.4
97.29556	2.7
100.62158	2.3
103.05486	4.2
105.07038	85.7
107.04957	2.9
107.08616	36.7
109.06525	27.5
109.10163	33.3
110.10460	2.7
111.04480	2.6
111.08081	11.4
115.05441	2.9
117.07048	13.2
119.08589	65.9
120.09339	4.6
121.06499	15.4
121.10159	51.8
123.08084	29.4
124.21233	2.7
128.06235	9.7
129.07027	15.1
130.07753	4.4
131.08575	29.1
133.06487	9.8
133.10144	32.4
135.08064	21.6
135.11708	8.6
137.06010	3.0
137.09572	12.2
141.07033	5.0
142.07787	20.0
143.08591	29.2
144.09366	6.1
145.10152	38.5
146.07349	3.1
147.08057	26.8
147.11696	17.4
148.08797	4.5
149.09634	27.9
151.07538	44.3
153.09158	4.9
155.08525	6.9
155.10684	3.0
156.09352	9.1
157.10139	42.6
158.34033	2.5
159.08066	10.6
159.11659	16.3
160.08829	4.1
161.09610	22.7
161.13284	11.9
163.11203	8.8
165.09142	43.8
167.08617	3.7
168.09288	3.3
169.10146	5.1
170.10864	5.5
171.08093	3.7
171.11699	13.6
173.09669	14.8
173.13263	9.1
174.10425	2.8
175.11188	19.5
175.14851	9.4
177.09122	11.8
180.60204	3.2
181.10126	3.0
183.11717	6.6
185.09673	3.7
185.13277	25.1
187.11177	5.9
187.14870	6.3
188.11913	3.0
189.12784	11.6
195.11761	2.7
197.13318	7.1
199.11203	6.3
199.14827	4.2
201.12784	7.2
203.14320	30.4
207.13841	11.1
209.13330	4.9
209.15366	6.5
211.11278	2.7
211.14818	3.2
213.12737	6.5
215.14297	7.3
216.15080	3.2
219.13766	5.9
221.13509	3.7
221.15385	81.6
225.12755	4.8
227.14279	6.7
231.13927	3.1
234.16208	13.6
281.18982	4.8
285.18600	2.8
286.19238	4.4
287.19897	7.9
299.20193	5.3
303.19525	7.9
309.18613	4.0
347.23389	3.0
365.24820	9.8
383.20374	39.2
383.25757	73.4
384.25845	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	383.258
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03940	10.7
55.05511	15.5
57.03426	3.1
57.07061	9.1
59.04989	4.3
67.05508	26.1
68.43443	3.7
69.03413	13.7
69.07057	10.7
70.74014	4.1
70.74334	4.6
71.04980	6.7
79.05492	26.1
81.07069	36.5
83.04975	5.0
83.08595	4.3
87.68511	2.9
88.83372	3.6
91.05488	52.2
93.06490	5.5
93.07050	98.5
95.04964	24.5
95.08614	44.9
95.90499	3.0
97.06509	12.7
98.22548	3.1
104.45560	3.2
105.06324	4.2
105.07039	84.7
107.08598	47.4
109.06520	28.9
109.10166	20.6
111.08071	10.8
117.07020	13.1
119.07809	5.0
119.08588	54.8
120.09348	4.8
121.06499	14.2
121.10136	47.3
121.29173	3.1
123.08090	36.4
128.06242	10.6
129.06993	12.8
130.07784	7.0
131.08580	29.0
133.06491	7.5
133.10143	38.7
135.08064	21.4
135.11655	7.4
135.78400	2.9
137.06006	3.7
137.09607	13.5
141.07025	6.7
142.07779	23.8
143.08580	31.8
144.09351	4.4
145.10129	36.1
146.07259	3.8
147.08043	23.9
147.11739	17.1
149.09636	29.3
151.07555	41.5
153.09106	4.7
155.08528	6.6
156.09319	8.5
157.10156	44.1
159.08069	10.8
159.11729	19.5
160.08798	3.8
161.09636	25.5
161.13310	4.9
163.11186	10.4
165.09137	41.9
167.08568	4.6
169.10138	7.5
170.10884	6.5
171.11723	7.6
173.09628	8.5
173.13252	8.5
175.11198	27.3
175.14787	9.4
176.62357	3.2
177.09114	10.4
179.08559	4.3
181.10085	4.9
182.10896	5.2
183.11728	4.1
185.13303	27.3
187.11151	5.7
187.14836	6.6
189.12816	8.7
193.10175	3.2
195.11636	3.5
196.12605	2.9
197.13274	8.8
199.11234	7.3
201.12726	10.5
203.14325	36.0
207.11966	3.4
207.13837	13.3
209.15332	4.5
213.12775	3.3
215.14331	10.3
216.15222	3.3
219.13809	6.4
221.15379	76.2
227.14314	6.5
231.13828	6.7
233.15422	11.5
234.16199	11.0
237.14801	4.8
241.16039	3.3
243.13902	4.1
263.18124	3.7
271.16949	3.8
275.39874	3.0
286.19223	7.0
287.20047	15.6
299.20038	8.7
303.19562	6.4
309.18427	3.9
365.24918	13.4
378.78564	3.3
383.25803	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.1
55.05515	17.9
56.48739	2.6
57.03428	3.0
57.07074	14.0
59.05004	7.1
61.91033	2.5
62.12115	3.0
65.03940	3.3
66.36105	2.4
67.05508	37.7
67.45501	2.7
67.54063	2.8
69.03436	14.5
69.07063	11.9
71.04990	8.4
79.05494	29.3
81.03410	5.0
81.07053	42.6
83.04966	8.2
85.06538	7.9
91.05482	55.4
93.07046	100.0
95.04958	23.7
95.08606	43.7
97.06524	16.7
98.20645	5.1
105.07037	81.3
105.92278	2.7
107.08608	45.4
109.06513	23.1
109.10148	22.1
111.04455	4.7
111.08073	10.0
115.05488	5.3
117.07020	13.6
119.08585	59.8
119.09402	2.2
120.09364	3.9
121.02880	2.8
121.06515	20.8
121.10152	50.7
123.08075	29.3
123.11675	4.2
128.06261	7.7
129.06998	12.7
130.07790	6.2
131.08585	37.7
133.06465	12.0
133.10129	30.7
135.08061	29.5
135.11688	5.1
137.05972	8.5
137.09622	9.2
141.06976	5.2
142.07794	20.6
143.08594	24.9
144.09346	3.4
145.10114	44.0
147.08044	29.6
147.11661	19.6
148.08896	4.5
149.09631	34.2
151.07556	39.8
155.08525	8.1
156.09329	8.2
157.10118	40.0
159.08040	11.1
159.11719	16.7
161.09631	26.6
161.13269	12.6
163.11226	10.1
165.09122	52.6
166.09474	3.3
169.10143	8.3
170.10899	4.1
171.11650	9.1
173.09616	12.1
173.13260	10.5
175.11150	23.3
175.14848	10.4
177.09131	14.3
178.09874	3.1
179.14302	2.6
182.10892	3.8
183.11661	6.9
185.13318	20.5
187.11234	5.5
187.14929	5.2
189.12743	11.2
191.14352	3.8
193.10103	4.8
195.11726	8.0
196.12314	3.0
197.13222	4.1
199.11165	9.5
199.14868	3.1
201.12758	12.8
203.14326	31.5
207.11943	3.6
207.13652	14.4
209.13199	7.6
209.15305	4.5
211.11235	3.3
213.12723	5.7
215.14281	9.6
216.15137	5.2
219.13866	6.5
221.15370	91.3
222.15787	4.0
225.12671	4.1
225.16525	4.8
227.14333	4.6
231.13895	3.8
233.15338	8.0
234.16130	17.7
271.15280	3.0
281.19058	4.5
285.18484	3.3
286.19287	7.6
287.20071	8.5
299.20065	10.0
303.19601	10.2
365.24698	13.1
383.25696	83.8
383.33438	3.7
384.26422	3.1
393.85669	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.0
55.05508	15.8
57.07078	12.2
59.04986	6.7
65.03935	2.8
67.05506	29.3
69.03425	14.1
69.07059	10.4
69.51904	11.2
69.52320	5.2
71.04981	8.7
79.05495	32.6
81.03397	3.0
81.07061	32.7
83.04973	7.9
83.08611	5.8
85.06535	5.2
91.05479	52.8
93.07047	100.0
95.04977	28.0
95.08611	41.2
95.51995	2.2
97.06547	13.9
105.07038	82.3
107.04969	4.3
107.08592	46.5
109.06523	23.8
109.10154	19.0
111.08064	8.9
115.05437	4.6
117.07047	13.7
119.06104	2.5
119.08580	57.7
120.09360	3.7
121.06502	13.4
121.10141	42.4
123.08070	35.7
128.06195	7.5
128.83357	2.5
129.06982	11.2
130.07796	7.1
131.08568	30.5
133.06464	8.2
133.10136	31.3
135.08052	26.0
135.11708	3.3
137.05991	3.8
137.09616	12.6
141.06970	4.8
142.07793	23.5
143.08588	26.1
144.09344	2.8
145.06531	4.0
145.10117	43.9
147.08051	27.2
147.11659	16.0
149.09627	21.8
151.07536	44.1
155.08542	8.0
156.09338	7.5
157.10136	42.5
159.07994	7.8
159.11720	15.7
160.08867	4.1
161.09624	20.6
161.13243	8.1
163.11128	5.2
165.09142	35.6
169.10106	5.2
170.10881	4.4
171.11656	9.5
173.09573	10.1
173.13257	9.0
175.11194	21.0
175.14778	13.9
177.09108	10.3
183.11719	5.2
185.09718	3.5
185.13245	18.9
187.11145	6.9
187.14771	6.0
189.12746	11.0
191.14308	3.7
195.11710	5.3
196.12338	2.4
197.13275	6.9
199.14835	3.9
201.12726	5.4
203.14296	25.9
207.11974	4.0
207.13821	13.0
209.15292	4.3
211.11211	3.3
213.12648	4.7
215.14296	10.1
219.13867	2.9
221.13396	2.9
221.15363	67.8
223.14781	2.7
227.14264	5.6
231.13789	4.4
233.15363	8.1
234.16141	8.7
237.14648	3.2
243.13853	3.5
262.57227	2.4
281.18948	3.1
286.19336	4.1
287.20074	12.5
299.20132	8.1
303.19611	6.6
309.18469	3.1
365.24734	10.6
383.15073	4.4
383.20966	4.8
383.25775	70.6
383.30557	4.3
384.26138	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	383.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
58.46548	0.5
64.53411	0.6
68.05027	0.7
69.03429	0.8
69.89260	3.1
70.06589	100.0
71.06924	0.5
79.05475	0.8
81.30850	0.6
84.04491	0.6
84.08097	0.9
86.09705	21.6
91.05482	1.0
91.52953	0.6
93.07082	0.6
105.06999	0.9
107.08622	0.6
116.07092	22.2
118.92220	0.7
127.08674	85.6
127.48225	0.6
130.57301	0.6
137.06004	1.6
145.06544	0.7
145.72942	0.6
152.08344	0.5
155.08148	77.3
163.03865	3.0
183.14964	0.7
203.08263	1.3
221.09204	1.6
229.15456	3.5
230.11375	1.3
232.13226	0.9
238.05296	1.6
240.17056	15.4
258.15076	1.1
259.15109	2.1
268.16559	29.8
269.16986	1.2
274.13919	2.5
275.18124	0.7
292.14972	0.9
303.17880	7.5
320.18521	1.7
321.18869	10.0
365.21817	3.6
383.03867	1.1
383.23203	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	383.124
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96330	1.0
56.96566	9.3
57.12590	0.8
69.47351	6.5
72.93774	1.0
84.96005	1.3
88.03966	1.1
92.38106	1.1
100.99135	2.6
110.97570	2.2
123.04454	1.9
128.98630	2.1
130.06508	1.7
135.04420	1.5
136.06169	2.1
137.05876	0.9
144.98137	1.3
146.99631	2.0
162.07831	0.9
163.03926	4.5
165.00723	1.0
190.98581	2.5
204.07991	1.2
206.99602	1.1
208.99687	2.7
223.02831	5.0
223.46034	1.0
225.00601	1.0
228.08194	1.5
229.08749	0.9
230.09625	2.0
232.07561	6.0
241.03810	6.2
246.09116	3.0
248.07022	1.0
250.08649	2.5
252.07272	2.7
253.00278	2.0
256.07614	3.4
260.07150	2.4
262.08627	2.1
264.10278	1.3
271.01205	1.4
274.08627	3.2
275.09357	1.0
276.06970	1.7
276.10208	8.7
277.07095	1.8
278.08115	24.0
284.06970	2.2
285.02762	2.7
288.06592	2.2
290.08157	7.1
292.09802	2.3
301.09695	2.5
302.08124	51.5
303.03967	1.7
303.08368	1.6
319.10779	17.1
321.02924	1.2
337.11676	1.2
348.08585	0.9
365.11383	2.4
383.12384	100.0
384.12384	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	5.5
57.03421	2.4
67.05498	3.5
69.03438	2.2
69.07065	5.7
70.89066	4.2
71.05000	1.8
71.08636	2.2
79.05502	8.8
81.07077	2.8
83.04978	17.4
83.08595	1.6
89.88712	1.3
91.05486	3.0
93.07052	9.4
95.08614	5.3
97.06551	2.7
105.07016	1.6
109.00591	1.2
119.08582	1.6
121.10165	2.4
123.04432	22.1
135.35861	1.4
139.11186	100.0
154.77634	1.4
163.03972	2.2
177.09166	1.7
179.18056	1.6
261.12225	2.6
261.14871	35.6
302.17517	2.2
347.14948	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.9987
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98660	0.2
56.30531	0.2
56.96564	6.7
70.80988	0.8
71.95271	2.3
94.75424	0.2
98.97584	100.0
99.97913	0.5
115.81125	0.4
116.98622	42.3
118.44711	0.3
134.99657	8.9
140.00165	0.8
143.97844	0.3
153.00722	0.8
158.10445	0.2
158.12097	0.2
174.97632	0.5
177.00865	0.3
177.02246	0.3
177.19730	0.3
181.97409	0.3
198.97701	0.3
216.98715	1.2
234.73438	0.3
234.99864	0.9
240.98657	5.0
258.99771	66.9
259.99988	2.2
261.03116	0.5
263.02942	0.3
277.00815	64.1
278.01089	2.4
282.01416	0.6
282.99979	2.6
284.00034	0.5
284.99792	0.4
295.01974	0.5
300.02393	1.0
301.01019	2.2
302.01480	0.4
303.00775	0.3
317.98962	0.7
334.92770	0.3
358.92664	0.4
359.00464	0.9
359.99857	0.5
382.99768	2.2
400.93488	0.6
401.01105	5.9
402.01035	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73292	2.7
54.76099	2.6
55.01872	3.7
62.06081	4.5
63.99984	2.6
69.03433	9.4
69.86808	11.3
70.02959	4.8
70.06582	6.2
74.06060	3.3
81.03425	8.9
81.07091	2.8
81.53391	2.6
84.04498	3.1
84.08154	6.0
85.02905	19.7
87.00850	8.4
88.03995	98.3
91.05495	4.9
97.02908	5.6
98.20831	3.3
99.04462	5.8
99.08088	7.0
104.70374	2.6
105.01895	3.3
108.50374	2.3
109.02895	4.8
109.06535	2.9
115.47291	2.5
116.07121	16.0
118.79046	2.6
119.04929	3.5
120.08123	3.9
127.03954	13.4
131.08556	3.6
134.08138	100.0
136.06223	5.1
137.06000	10.4
145.05046	3.3
147.04422	6.7
159.02824	4.0
173.11165	3.8
174.11417	3.4
186.55063	2.9
214.08527	2.8
220.09727	39.6
225.14183	2.7
229.11047	4.4
230.11720	2.6
258.14883	5.3
283.06894	2.7
293.09146	12.5
302.17444	15.0
320.18649	11.3
339.09525	5.3
364.21222	7.3
382.15271	10.0
382.22156	14.4
383.08676	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	381.181
Annotation	Vomicine
Peak:m/z	Relative Intensity
54.90117	0.2
56.82170	0.2
57.03439	0.2
58.74345	0.2
67.51981	0.2
69.03415	0.2
69.53638	0.8
69.54046	0.5
70.53536	0.2
89.76827	0.2
91.05450	0.2
97.06552	0.2
98.21420	0.3
100.19216	0.2
104.04979	0.2
106.06549	1.8
121.05248	7.8
123.04391	0.2
129.06926	0.2
130.06532	0.9
132.04463	2.8
133.07613	0.7
134.06020	0.4
134.08386	0.5
134.65533	0.2
136.05225	0.3
137.06059	0.5
149.07114	2.9
158.06020	0.9
161.07111	15.4
162.07884	100.0
163.03880	0.3
163.06255	0.3
163.08363	1.0
178.04967	0.9
192.84666	0.2
197.04433	0.2
200.47487	0.2
202.04959	0.3
229.10979	0.3
255.11200	0.2
258.14789	0.3
266.41437	0.2
267.11612	0.2
283.10880	0.6
284.08524	0.4
284.11575	5.9
302.17523	1.0
319.17230	0.3
320.18643	0.5
335.10172	0.4
346.20126	0.4
356.98608	0.2
381.18082	52.6
382.18286	1.6
382.22290	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.9
59.48492	0.9
69.03446	1.4
70.06586	2.0
71.48303	1.7
72.08134	2.0
84.08137	8.5
85.02892	1.0
88.03957	1.4
89.04287	4.7
91.05489	1.6
105.07032	1.4
119.04936	2.8
120.08076	1.2
127.03906	1.7
127.12309	2.8
128.96333	1.2
130.68378	1.2
131.06387	17.0
131.80896	1.0
134.08098	3.3
136.06175	1.1
136.92517	0.9
138.05519	0.9
147.04419	7.4
163.03934	1.3
173.11096	100.0
230.63965	1.1
234.98955	2.1
237.00549	1.5
302.99332	1.0
363.01422	3.0
381.02609	2.4
381.11200	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	381.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.5
55.05516	21.3
57.03449	6.3
57.07067	7.8
65.25335	3.5
67.05512	94.2
69.07094	18.5
69.80437	9.1
69.80847	10.6
71.04970	4.8
71.08632	4.3
75.04472	3.3
79.05498	41.7
81.07065	100.0
83.08617	12.5
85.06525	4.7
91.05492	27.3
93.07059	61.5
95.04994	4.3
95.08620	87.4
97.06576	6.0
97.10160	6.7
99.08121	4.3
105.07025	27.8
107.08611	37.6
109.10173	37.3
117.07039	7.0
119.08601	20.4
121.10160	35.6
123.11701	11.6
131.08553	27.6
133.10110	11.7
135.11713	14.7
137.09595	4.2
141.12663	3.4
145.10141	19.7
147.11681	7.4
149.09526	4.3
149.13266	12.5
151.14833	7.7
159.11681	14.5
161.13290	7.0
163.14799	9.1
165.16376	4.5
173.13284	9.4
175.14845	7.7
177.16406	9.1
187.14847	11.6
188.69751	3.6
189.16455	4.1
191.17976	10.3
201.16530	4.8
205.19519	7.5
215.23685	4.0
271.24127	17.9
289.25281	60.1
363.29007	7.1
381.30450	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	381.0793
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06432	4.3
53.02321	3.5
55.48225	4.1
58.39629	3.9
70.52550	7.2
70.52884	9.2
84.40471	3.6
197.76704	4.2
281.69278	4.3
381.07898	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0795
Annotation	Unknow
Peak:m/z	Relative Intensity
70.17943	19.1
70.18294	5.3
73.60597	3.9
80.91434	4.7
91.77003	4.3
147.89047	5.4
185.60234	4.7
201.01665	5.2
216.10941	4.3
219.02634	6.5
354.46158	5.1
381.07990	100.0
382.08630	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	379.2845
Annotation	CHEMBL262560
Peak:m/z	Relative Intensity
53.03942	5.3
55.01890	5.3
55.05513	17.7
57.03439	11.1
57.07079	14.6
61.02920	6.8
61.40784	2.3
65.03933	4.6
67.05511	74.7
69.03419	3.2
69.07076	26.6
70.01032	4.7
70.01447	7.1
70.55958	2.2
71.04998	4.5
71.08626	6.6
72.93795	2.9
73.02927	3.1
79.05496	64.3
81.03408	3.8
81.06593	4.9
81.07061	70.8
83.04987	3.8
83.08625	14.3
85.02917	6.3
85.06544	15.0
85.10142	3.3
91.03934	3.1
91.05489	79.8
93.06490	4.7
93.07049	75.7
95.04964	5.7
95.08612	52.0
97.02892	3.1
97.06520	7.6
97.10145	4.2
98.07877	2.2
98.21434	3.8
99.08086	3.6
105.07036	65.3
107.08607	36.5
109.06553	2.3
109.10178	20.6
111.08067	5.7
111.11777	2.9
115.05413	2.7
117.07033	22.0
119.08591	72.1
121.06493	2.9
121.10148	55.8
123.08044	5.6
123.11707	6.9
128.06230	3.1
129.05478	8.9
129.07005	20.8
131.08582	36.7
133.06534	2.5
133.10149	53.7
135.08051	8.0
135.11720	20.9
137.09647	3.5
137.13272	5.7
141.07053	3.2
142.07860	2.6
143.08557	21.9
145.10121	23.7
147.11720	27.7
149.09628	12.6
149.13251	5.5
151.14841	3.2
157.10114	16.1
159.11696	12.0
161.09630	8.9
161.13292	18.8
163.14868	11.3
164.98601	2.8
171.11700	28.4
173.13257	9.1
175.11191	9.6
175.14815	20.7
177.16403	8.8
185.13254	28.3
187.14838	9.4
189.12738	11.4
189.16379	23.0
191.18015	5.2
199.14816	13.5
201.16422	8.5
203.14374	5.9
203.17990	45.6
205.15840	3.6
207.13745	3.1
211.38998	2.6
213.16449	9.6
215.17847	2.8
221.15495	5.5
231.17534	3.1
231.21295	3.0
241.19749	2.7
243.21083	6.8
245.22659	27.2
259.20627	8.1
259.24268	14.8
261.22250	2.4
269.22662	63.4
269.28683	2.4
287.23706	100.0
287.26932	5.0
305.24615	15.1
359.16882	2.9
361.27481	15.2
379.28479	72.7
380.28513	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2842
Annotation	CHEMBL262560
Peak:m/z	Relative Intensity
53.03936	4.0
55.01874	7.1
55.05511	18.5
57.03438	12.5
57.06832	1.6
57.07074	15.5
61.22177	1.3
65.03925	3.3
67.05505	68.6
69.07067	23.2
71.04985	5.2
71.08626	7.0
73.02906	1.6
75.04472	2.3
77.03900	2.5
79.05495	52.9
81.03422	2.6
81.07057	60.9
81.92443	1.4
83.04971	3.6
83.08624	12.8
85.06544	10.1
85.10159	5.0
87.04454	2.1
91.05484	76.0
93.07043	70.6
95.04967	3.8
95.08609	48.9
97.06532	4.8
97.10165	4.6
99.04430	2.0
99.08082	3.2
101.05945	1.5
103.03902	3.4
105.07031	55.7
107.07890	1.9
107.08598	36.9
109.06491	4.6
109.10154	14.0
111.08106	3.0
113.09641	3.6
115.05411	1.6
117.07014	20.4
119.08583	58.4
121.06538	1.9
121.10143	52.0
123.08049	2.6
123.11723	9.6
123.52885	1.2
125.09607	1.9
128.06190	3.6
129.05478	9.4
129.06982	16.6
130.07791	1.7
131.08575	33.9
131.09540	2.3
133.10135	48.2
135.08092	9.6
135.11681	15.6
137.09593	5.0
137.13251	5.3
143.08559	18.4
145.10129	22.2
147.08058	4.1
147.11687	31.7
149.09613	8.1
149.13213	7.9
151.14777	3.4
157.10117	18.7
159.11667	12.3
161.09628	7.9
161.13252	19.7
163.11168	2.4
163.14796	9.1
171.11682	27.9
173.13261	9.8
175.11200	9.8
175.14833	21.7
177.12741	2.3
177.16383	10.9
185.13261	26.8
187.14832	10.3
189.12761	9.8
189.16371	21.6
191.14337	1.7
191.17975	8.8
193.12209	1.9
199.14810	12.5
201.16408	6.5
203.14355	9.0
203.17969	46.7
205.15892	2.4
205.19516	3.7
207.13806	2.4
213.16420	6.0
215.17863	1.9
217.15981	2.3
219.17352	2.2
221.15388	3.7
227.18028	2.9
235.16731	1.4
241.19421	2.8
243.21101	6.2
245.22678	25.6
259.20493	8.2
259.24213	19.0
269.22653	62.2
271.24136	1.5
287.23688	100.0
288.24091	3.5
305.24725	17.3
330.11282	1.6
347.74045	1.8
358.49393	1.4
361.27426	12.1
379.28467	74.7
380.28732	3.4
400.21274	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.6
55.01868	5.9
55.05511	23.9
57.03431	4.5
57.07077	20.5
65.03930	3.1
67.05508	67.8
69.03426	2.5
69.07064	22.4
69.17764	19.6
71.04994	5.8
71.08620	11.0
75.55415	1.9
79.05495	54.7
81.07061	65.1
83.04989	4.8
83.08617	13.9
85.06557	11.4
85.10184	4.6
91.04910	4.1
91.05484	77.7
93.07048	67.0
95.04981	4.7
95.08604	47.5
97.06538	8.8
97.10168	4.9
99.08094	6.0
105.07032	63.2
107.08591	35.5
109.06538	3.2
109.10161	18.1
111.08103	2.9
113.09688	2.6
117.07030	26.2
119.08588	75.0
121.10145	47.5
123.08086	3.5
123.11697	9.5
125.05949	2.3
128.06194	4.9
129.05470	5.4
129.07001	21.1
131.08574	37.7
133.10139	53.2
135.08054	10.5
135.11702	16.9
137.09589	3.9
137.13274	4.4
142.07829	2.5
143.08572	28.1
145.10110	30.4
147.08061	4.3
147.11681	27.8
149.09613	8.6
149.13281	8.6
151.14845	3.0
157.10124	23.6
159.11711	14.5
161.09657	9.0
161.13240	18.7
163.11188	3.6
163.14832	6.3
171.11691	37.6
173.11981	2.1
173.13251	10.8
175.11182	10.4
175.14813	20.7
177.12766	2.7
177.16417	7.3
185.13232	30.4
187.14827	8.4
189.12791	11.8
189.16359	25.4
191.17973	5.2
199.14851	12.7
201.16394	4.9
203.14365	6.2
203.17955	44.7
205.15846	3.9
205.19478	2.5
213.16469	7.0
215.17986	4.2
227.17914	4.3
241.19537	2.9
243.21031	10.1
245.22679	17.5
259.20636	8.3
259.24173	17.0
269.19949	1.6
269.22638	61.8
287.23691	100.0
288.24057	4.3
305.24753	9.4
347.25995	5.3
347.73798	3.2
361.27441	6.7
379.23779	4.0
379.28482	67.2
400.21338	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	379.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.9
55.05510	15.8
57.03432	6.4
57.07087	12.3
65.03938	1.9
67.05506	54.2
69.07067	18.4
69.21969	16.2
71.05000	3.5
71.08624	5.9
79.05500	46.0
81.06594	3.8
81.07059	55.9
83.04987	3.0
83.08614	7.6
85.06551	12.8
85.10183	2.9
91.05485	69.4
93.07053	53.5
95.04958	5.2
95.08614	41.5
97.06525	4.8
97.10163	5.0
98.21494	2.6
99.08086	3.5
103.05450	2.2
105.07038	58.7
107.04946	1.7
107.08598	33.3
109.10169	16.7
111.08091	3.4
112.99995	8.7
113.09648	2.4
115.05456	2.0
117.07021	24.1
119.08585	53.2
121.06532	2.3
121.10149	41.4
121.24371	2.1
121.78366	1.6
123.08075	2.3
123.11686	4.7
128.06248	2.8
129.05504	3.9
129.07010	16.0
131.08572	29.8
133.10141	45.9
133.11110	3.1
135.08060	6.2
135.11685	15.8
137.13266	5.6
142.07782	3.1
143.08565	21.0
145.10143	19.0
147.08057	2.4
147.11691	25.7
149.09671	7.9
149.13332	3.3
151.14871	2.4
155.08510	1.8
157.10139	18.0
159.11691	12.1
161.09650	6.7
161.13286	16.3
163.11223	3.5
163.14867	6.4
169.02615	8.0
171.11697	29.1
173.13258	7.8
175.11206	7.2
175.14807	19.0
177.16411	7.0
185.13289	24.1
187.14841	11.7
189.12732	9.5
189.16385	20.1
191.18019	5.7
199.14790	16.2
201.16394	6.5
203.14378	6.4
203.17967	39.6
204.18420	2.2
205.15910	2.5
213.16441	5.5
215.18065	3.5
217.15863	3.3
227.17970	3.8
241.19611	2.7
243.21077	4.2
245.22687	17.1
259.20724	8.4
259.24164	15.7
269.22656	52.9
285.30734	1.8
287.23694	100.0
288.24121	2.5
305.24744	4.7
361.27313	5.0
379.28482	63.0
380.28424	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2843
Annotation	CHEMBL262560
Peak:m/z	Relative Intensity
50.72868	1.5
53.03958	3.8
55.01869	6.3
55.05509	22.3
57.03438	13.8
57.07079	14.1
65.03941	4.1
67.05508	65.0
69.06733	1.9
69.07072	21.9
69.65534	1.4
71.04990	6.1
71.08629	4.8
74.78540	1.6
75.04470	2.0
79.05496	47.9
81.07058	63.4
83.04967	3.6
83.08631	9.5
85.06550	10.7
85.10181	4.6
89.05991	1.6
91.05482	76.8
93.07047	73.2
94.07363	1.8
95.04956	6.8
95.08612	51.2
97.06544	5.6
97.10174	3.5
99.08103	3.9
101.05984	2.1
103.03960	2.3
103.05460	1.9
105.04545	1.7
105.07033	60.0
106.06541	3.0
107.08606	37.5
109.06511	2.8
109.10162	18.7
111.08061	2.7
113.09600	1.7
115.05483	2.7
117.07027	20.3
119.08587	65.7
121.06483	2.4
121.10149	51.4
123.08063	3.3
123.11694	9.3
125.09622	1.8
128.06250	2.0
129.05528	9.5
129.06998	18.9
131.08574	32.3
133.10130	49.6
135.08054	7.7
135.11702	20.0
137.09624	3.0
137.13264	4.4
141.06967	2.4
142.07755	1.7
143.08562	16.9
145.10118	24.9
147.08063	3.9
147.11702	29.7
149.09651	6.9
149.13272	6.8
151.14832	3.7
154.54213	1.5
155.14214	1.8
157.10130	19.9
159.11696	11.1
161.09674	8.8
161.13260	19.5
163.11174	3.2
163.14804	9.3
169.02711	2.1
171.11685	28.2
173.13254	11.4
175.11217	9.3
175.14835	23.7
177.12788	2.4
177.16423	10.7
177.95023	1.6
185.13271	26.3
187.14845	9.2
189.12794	8.9
189.16399	24.3
191.17967	7.3
199.14818	12.3
201.16379	7.1
203.14291	10.9
203.17978	42.2
205.15915	3.5
205.19514	3.4
213.16443	6.6
215.18031	2.7
217.15889	3.4
217.19327	2.0
219.17468	1.9
221.15436	3.3
227.17912	1.8
241.19635	2.2
243.21141	5.9
245.18970	2.1
245.22694	25.2
259.20560	10.5
259.24213	15.3
269.22629	53.7
270.22989	2.4
287.23706	100.0
288.24146	3.3
305.24762	15.6
361.27582	12.4
379.28485	63.9
380.28601	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	379.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	4.3
55.01853	3.8
55.05512	16.4
57.03425	5.8
59.99090	3.9
61.02925	11.0
62.71055	1.3
63.64785	1.2
67.05506	2.7
69.03431	28.9
70.68526	2.6
71.04987	4.1
72.08149	11.0
73.02907	4.1
73.06555	63.7
81.03421	13.0
81.07045	2.3
83.01327	1.6
83.05027	1.5
85.02905	100.0
86.06047	2.2
87.00835	3.4
87.04465	2.9
89.04252	2.9
91.03967	6.7
92.00806	1.4
93.07056	2.1
95.04946	2.6
95.08601	2.5
97.02892	29.2
99.04438	5.5
105.01865	1.9
105.07013	1.4
107.08569	1.8
109.02876	10.4
112.37153	1.2
115.03918	2.0
115.08690	8.4
116.07044	2.0
119.08617	1.5
121.06486	2.0
127.03926	19.8
132.04790	92.9
137.06018	2.6
141.06586	5.3
145.04970	25.0
157.13362	4.5
175.05296	6.9
217.10078	6.6
240.12357	1.3
310.23880	1.3
330.17639	2.1
379.23062	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1578
Annotation	Abafungin
Peak:m/z	Relative Intensity
55.47702	0.7
56.96556	2.0
62.87251	0.7
66.04089	0.7
69.45140	0.8
70.06574	0.7
71.28836	0.7
71.29158	0.8
77.67546	0.7
77.88278	0.6
86.09740	0.8
89.03871	0.8
98.97581	2.3
116.98614	0.8
117.03328	1.3
119.04993	0.8
128.73849	0.7
135.04431	1.8
147.04448	0.8
158.97392	0.8
163.03920	5.4
177.00729	1.5
187.53749	0.8
195.01772	1.0
210.01251	0.9
216.97937	1.2
217.10519	9.0
221.02998	7.8
222.03250	0.8
229.84573	0.7
234.96880	2.1
234.99049	2.2
237.02811	0.7
239.04079	1.1
247.01312	0.7
247.04562	2.1
252.97899	3.8
265.02158	0.7
275.04117	1.0
283.40579	0.8
378.99377	3.4
379.15778	100.0
380.16116	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	379.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.1
55.01864	3.3
55.05519	15.0
57.03443	5.5
59.99111	4.4
60.04858	1.1
60.55136	0.8
61.02930	11.3
69.03436	22.7
70.30885	2.3
71.04993	5.3
72.08163	12.2
72.12740	0.9
73.00315	0.8
73.02917	3.1
73.06561	66.2
81.03424	10.1
83.01344	1.7
85.02910	100.0
85.07648	1.1
86.03244	0.9
86.06077	2.5
87.04462	3.4
88.92736	0.9
89.04270	2.3
90.82537	0.9
91.03958	6.5
91.05492	1.7
97.02895	29.3
99.04461	4.9
102.00119	1.9
102.03720	1.1
109.02885	6.6
115.08710	8.0
127.03939	18.2
132.04799	90.8
138.06271	1.1
141.06502	1.8
141.30301	0.8
145.03981	1.5
145.04996	28.2
157.13361	4.4
163.05988	1.6
175.05403	6.1
217.10056	7.0
301.08627	0.9
379.22055	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1533
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64680	0.7
52.40652	0.7
53.03939	2.1
55.01870	1.6
55.05518	7.6
57.03439	2.0
59.99115	23.9
61.02930	4.5
67.05494	2.9
69.03431	9.0
69.07088	0.9
70.20428	1.5
70.20808	2.5
71.05005	1.4
72.08159	15.5
73.02927	1.4
73.06564	6.6
74.09710	2.4
79.05487	2.8
81.03432	7.6
81.07056	3.1
85.02911	31.9
86.02446	1.8
90.09191	0.9
91.03944	1.3
91.05482	2.7
92.05808	1.2
93.07056	2.1
93.45745	0.8
94.06573	1.3
94.07383	0.9
95.04938	1.6
95.08615	1.8
97.02893	11.1
97.06522	1.6
98.06078	1.0
99.04474	0.9
102.03775	8.6
105.07053	1.9
106.06530	1.1
107.04990	1.0
107.08594	1.5
108.08926	0.9
109.02884	3.2
111.08040	1.1
115.08636	1.1
116.07099	100.0
119.08572	1.2
120.08905	0.8
121.10126	1.6
122.06027	0.8
122.09683	2.4
127.03942	7.2
129.07076	0.9
131.08551	1.3
132.04785	5.1
133.10086	1.3
136.07533	0.9
137.05988	3.7
138.06293	1.5
145.05057	8.3
145.06116	1.3
150.09135	1.9
161.06013	1.3
162.06372	1.0
171.11546	0.8
175.07487	0.9
193.12239	1.0
194.12619	1.6
197.00121	0.8
217.10123	5.9
225.14764	0.9
226.15305	1.3
293.08344	0.8
312.17010	0.8
315.09598	1.0
318.17877	1.6
330.17719	1.7
362.20374	2.7
379.15469	1.5
379.23010	5.0
379.32904	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1533
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.1
51.56791	0.1
53.00291	0.1
53.03946	1.4
55.01870	3.5
55.05510	13.6
56.05033	0.2
56.05844	0.1
57.03437	6.3
57.05825	0.2
59.04998	0.5
59.05250	0.1
59.99111	4.7
60.04510	0.1
61.02927	10.8
61.04051	0.9
69.03429	23.6
70.06605	0.1
70.74420	0.2
71.01349	0.3
71.04993	3.1
72.08156	11.6
73.02501	0.2
73.02921	4.1
73.06554	66.8
74.06877	0.3
77.24827	0.1
78.00146	0.7
81.03417	11.0
82.03726	0.1
83.01337	1.0
83.04990	0.2
85.02904	100.0
85.07649	0.9
86.03226	0.6
86.06064	2.4
87.01974	0.2
87.04467	3.0
89.04259	2.6
91.03957	5.8
94.15686	0.1
97.02891	28.5
97.06533	0.2
98.03230	0.2
98.06046	0.2
99.04455	5.2
101.02357	0.6
102.00136	0.8
102.03738	0.8
102.99660	0.2
103.03941	0.4
109.02879	9.1
115.03928	1.0
115.08691	8.4
115.09528	0.2
116.07098	1.7
117.05475	0.2
127.03917	19.1
128.04327	0.1
132.04787	89.9
133.05157	0.8
141.06584	2.2
145.04967	28.0
146.05290	0.3
146.08757	0.1
150.05759	0.1
157.13358	5.1
163.06018	1.3
174.05821	0.2
175.05368	7.2
190.04405	0.1
196.66098	0.1
217.10051	7.5
218.10376	0.1
222.04294	0.3
234.13416	0.1
245.88457	0.1
278.59296	0.1
379.15216	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	11.3
57.03398	5.7
61.02919	26.8
63.37085	3.9
67.05480	4.3
68.99796	42.2
69.66501	23.9
79.05480	4.1
79.25229	4.0
81.03414	12.9
85.02888	16.6
87.00827	28.0
91.05466	5.7
95.01322	5.0
97.02863	11.9
103.05476	9.7
107.01297	7.8
109.02866	8.5
115.03960	4.9
115.05440	33.7
117.07010	14.3
118.15178	4.6
119.04945	4.3
121.02850	4.2
121.33969	4.0
122.06062	6.7
123.04342	3.7
124.05186	13.0
129.01836	35.9
129.06990	9.5
131.04871	26.5
133.02835	6.3
136.07541	5.6
137.05984	42.8
138.09140	10.7
141.06973	38.1
143.04955	38.6
144.05734	8.7
145.06477	16.1
146.03665	20.4
147.02872	10.3
148.05162	7.5
149.05939	12.8
151.03906	59.4
151.05019	8.4
151.07591	6.2
153.06952	4.3
155.04907	9.8
157.02940	4.0
157.06462	6.0
158.07269	4.6
160.05199	9.6
161.05975	64.4
162.06779	4.5
163.07524	21.7
164.07040	8.3
168.05745	5.2
169.06482	62.2
171.04422	35.1
173.05968	12.8
175.07539	46.7
176.04617	3.8
177.05472	13.7
177.09106	4.3
183.04402	5.2
185.05933	6.6
186.06805	8.6
187.07562	32.4
188.04671	19.1
189.05452	13.8
190.06299	9.3
191.07002	14.7
196.05142	5.1
197.05974	78.1
198.06531	4.8
199.16869	4.5
201.05406	8.7
201.09099	35.0
203.07036	100.0
205.05014	5.4
205.08624	36.1
211.07509	7.4
214.06210	16.8
215.06950	30.1
217.08569	7.5
217.58704	4.3
218.05710	5.7
219.10107	4.6
220.09602	5.9
225.05447	15.9
229.08601	88.7
231.06526	73.1
233.08105	57.0
239.02138	8.0
242.05678	5.5
247.09673	15.2
257.08072	74.8
261.08618	7.6
275.09137	86.7
289.10663	32.9
293.10284	21.4
295.13779	5.6
307.06085	5.5
309.63260	4.8
317.10178	6.1
351.08582	7.2
361.09073	8.0
379.09949	25.4
379.15247	9.0
388.22650	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	377.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	4.9
57.07077	99.5
67.05502	3.0
69.07076	8.1
71.08633	84.9
71.49384	1.6
73.06550	1.3
79.05473	1.3
79.16856	1.2
79.90849	1.2
81.07069	3.0
83.08611	3.6
85.09667	2.6
85.10184	55.6
89.06032	100.0
93.07023	1.5
95.08613	2.4
97.10164	3.9
99.11747	7.0
105.07015	1.8
107.07066	7.3
107.08591	1.7
111.11721	2.8
113.13276	4.7
115.08636	2.0
127.14800	2.1
130.08643	1.6
133.08601	36.7
145.10103	2.4
149.83554	1.2
151.09642	6.1
157.10110	1.4
177.11223	7.1
195.12279	36.1
196.12558	1.5
205.11098	1.4
251.27847	1.5
275.06595	1.4
377.32376	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	378.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.0
64.55140	0.7
67.05510	0.9
69.07076	3.3
69.20612	5.5
69.21021	1.7
70.06580	2.6
79.05506	2.4
79.39429	0.9
81.07074	0.9
93.07063	1.3
97.06545	10.5
102.42589	0.8
122.43746	0.8
129.07004	0.8
133.06531	1.8
137.05966	1.3
143.08572	1.6
147.06796	12.5
148.07603	1.2
152.36188	0.9
157.10129	1.3
159.08109	2.6
160.11253	1.5
164.07025	0.9
173.09636	1.3
176.07106	3.1
176.10754	6.8
177.07851	10.3
177.09169	1.0
179.10632	1.1
185.09712	1.5
186.09270	1.0
187.07619	1.1
187.11247	0.9
189.09172	2.2
190.08588	0.7
199.07640	2.2
202.12285	9.2
204.10240	5.6
205.10976	1.8
206.11812	3.3
213.12860	1.1
214.08722	1.2
216.10281	2.2
229.10715	4.0
230.15443	3.6
231.13898	3.0
241.12271	1.3
249.38899	0.9
258.14948	17.6
260.12802	1.9
273.13623	19.2
284.16415	1.7
302.17535	85.4
303.17877	3.2
305.16183	8.0
308.34720	0.9
316.15677	1.4
316.19061	8.6
328.19113	3.2
334.20148	100.0
335.20508	3.6
346.20346	1.7
360.21765	8.1
378.22812	48.6
379.22998	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2686
Annotation	2-eicosapentaenoyl-glycerol
Peak:m/z	Relative Intensity
55.01865	6.2
55.05519	18.6
55.65046	3.0
57.03438	8.9
57.07073	4.9
65.03932	3.6
67.05506	51.8
69.07073	16.4
69.19704	15.3
69.20135	16.8
71.04982	4.8
79.05498	45.9
81.07056	62.1
83.08616	9.1
85.06554	4.3
91.05479	69.5
93.07047	53.3
95.04948	6.7
95.08613	46.2
97.06535	4.3
97.10191	4.2
97.92716	3.3
105.07044	55.0
107.08595	30.7
109.06536	3.5
109.10138	18.3
111.08081	4.1
115.05439	5.7
117.07014	36.6
119.08598	51.2
121.10145	31.5
123.11692	12.9
125.09616	4.2
128.06210	3.6
129.05486	7.2
129.07039	16.0
131.08557	49.4
132.75101	2.9
133.10143	40.0
135.11705	27.4
141.07004	12.6
143.08586	12.8
145.09041	5.2
145.10115	42.0
147.08006	4.3
147.11682	20.9
149.09616	7.1
149.13269	7.4
155.08549	12.6
157.10143	17.9
159.11696	26.5
161.09644	4.8
161.13255	23.7
163.11177	6.7
166.67625	3.0
169.10141	9.7
171.11713	15.0
173.13275	27.4
175.11237	3.3
175.14812	19.4
183.11671	18.3
185.13242	17.9
187.14905	20.9
189.12770	3.4
189.16393	11.3
197.13251	11.5
199.14778	7.8
201.12730	8.8
201.16356	31.2
211.14792	8.7
213.16397	9.2
215.14388	6.3
225.16473	7.9
239.17896	4.7
243.21181	11.1
255.17992	3.1
257.19064	8.2
257.22723	5.9
267.21069	48.4
285.22119	79.3
303.23080	16.8
359.25647	10.4
377.18069	4.2
377.26959	100.0
377.31921	3.2
389.44315	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	377.2686
Annotation	2-eicosapentaenoyl-glycerol
Peak:m/z	Relative Intensity
52.49516	2.2
53.03924	4.3
55.01869	6.9
55.05513	12.1
57.03431	10.7
57.07069	5.9
65.16724	2.5
67.05510	46.1
69.07074	15.8
69.32438	7.3
69.32853	13.4
71.04980	3.8
77.91732	2.7
79.05496	36.9
81.07053	50.8
83.08636	6.1
85.06527	6.2
87.04517	2.6
91.05489	52.3
93.07043	37.1
95.04964	3.6
95.08610	36.9
97.06519	5.3
103.03892	2.8
105.07039	42.3
107.08600	25.4
109.10159	15.5
117.07021	30.4
119.08591	43.9
121.10114	19.1
123.11723	6.6
129.05481	7.9
129.07001	14.0
131.08572	50.5
133.10135	34.5
135.08112	4.7
135.11694	21.2
141.07008	10.7
142.07800	3.7
143.08562	12.7
145.10132	32.7
147.08118	3.1
147.11691	15.9
148.10451	2.3
149.09560	5.0
149.13266	7.7
155.08536	8.0
157.10147	11.1
159.11719	22.8
161.13283	18.5
163.11214	5.3
163.14865	5.5
169.10150	9.0
171.11711	17.0
173.13290	22.7
175.14862	13.3
183.11687	12.6
185.13297	13.2
187.14801	20.8
189.12822	4.6
189.16356	10.5
197.13252	9.5
199.14886	6.4
201.12817	8.1
201.16348	25.1
203.14293	4.7
211.14822	7.1
213.16269	4.7
215.14377	6.1
225.16270	4.8
229.15883	4.5
239.17880	5.5
241.19594	3.0
243.17516	3.5
243.21159	13.4
257.19040	7.1
257.22687	8.9
264.75232	2.7
267.21082	37.1
285.22131	65.5
303.23245	11.3
359.25754	5.1
377.26895	100.0
377.37195	5.2
378.27191	2.7
399.83011	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.269
Annotation	2-eicosapentaenoyl-glycerol
Peak:m/z	Relative Intensity
52.41124	1.5
53.03937	3.4
55.01879	11.4
55.05513	18.2
56.16703	1.3
56.96567	2.1
57.03438	16.6
57.07083	9.9
61.31222	1.3
65.03933	2.2
67.05509	46.9
69.07071	14.9
70.04501	3.0
70.04863	6.1
71.04996	10.2
71.08635	3.1
73.02917	6.0
75.04478	2.2
79.05501	33.2
81.07064	45.0
81.07536	3.4
83.04977	4.9
83.08629	5.8
85.02916	3.3
85.06549	5.0
87.04472	5.0
91.05489	74.7
93.07047	39.0
95.04989	4.8
95.08610	27.8
95.82775	1.7
97.06523	8.1
97.10189	1.8
99.04479	4.5
101.06043	1.9
103.05463	2.1
105.07038	49.3
105.90089	1.6
107.04977	3.6
107.08598	16.4
109.06516	3.1
109.10172	6.3
111.08063	2.4
115.05460	4.3
116.06238	1.8
117.07026	54.1
119.08584	30.5
121.06542	2.1
121.10156	15.3
123.08062	2.6
123.11719	4.7
128.06219	3.9
129.05501	28.0
129.07004	31.6
130.07828	2.3
131.08578	69.3
133.06516	2.5
133.10147	21.8
135.08081	6.4
135.11719	7.5
137.13312	4.2
141.07001	33.3
142.07777	3.0
143.08568	25.1
145.06493	2.5
145.10133	54.0
147.08064	6.0
147.11703	10.7
149.09621	11.7
149.13278	3.8
154.07814	3.0
155.08548	14.3
157.10135	23.8
159.08119	5.4
159.11716	26.6
161.09650	8.9
161.13300	8.5
163.11201	1.8
163.14809	2.6
167.08572	2.1
169.10147	39.4
171.11679	18.0
173.08212	2.7
173.09641	7.2
173.13284	18.6
175.11145	2.7
175.14836	7.1
183.11714	29.3
183.13252	3.0
185.13264	10.1
187.11208	16.4
187.14882	12.0
189.12770	2.8
189.16431	5.4
197.13284	13.7
199.14885	6.0
201.12767	18.3
201.16388	22.4
203.14374	3.5
203.18008	3.0
211.14818	10.3
213.16420	2.7
215.14365	7.1
215.17970	4.2
217.15881	2.6
225.16397	4.6
229.15826	2.3
239.18007	3.8
241.07568	2.5
241.19475	13.8
243.17413	2.1
243.21111	38.6
257.19089	9.4
257.22650	14.1
259.20557	4.1
267.09091	3.3
267.21091	47.9
285.10062	3.4
285.22147	100.0
289.14737	2.3
303.23212	12.8
307.22772	1.8
359.25821	4.8
377.26923	94.3
378.27087	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	377.1785
Annotation	Pro Phe Asn
Peak:m/z	Relative Intensity
50.84809	0.4
53.47153	0.4
54.44571	0.3
56.05049	0.4
56.96540	0.3
57.80329	0.4
62.88704	0.3
69.48789	1.1
69.49216	1.4
70.06593	1.1
71.32219	0.4
84.04484	0.5
85.02900	0.4
86.09709	0.6
96.47949	0.4
98.21586	0.7
102.42488	0.4
119.04949	0.5
130.15955	0.4
133.02866	0.5
147.04407	0.5
156.12102	0.4
174.34193	0.4
177.05417	0.6
178.05939	0.4
179.03499	0.5
180.03827	0.7
187.82742	0.4
191.09357	0.4
205.52809	0.4
215.10654	0.4
215.12543	5.6
230.28558	0.4
377.17847	100.0
378.18207	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.269
Annotation	2-eicosapentaenoyl-glycerol
Peak:m/z	Relative Intensity
50.76937	3.4
53.03928	4.6
55.01867	5.3
55.05506	18.6
56.81964	3.7
57.03432	9.1
57.07072	9.1
60.54078	3.3
63.96072	3.5
67.05508	58.1
69.07060	13.8
71.48531	6.4
79.05499	48.3
81.07069	59.8
83.05000	3.7
83.08625	11.0
85.06552	9.4
86.25138	3.5
91.05486	62.2
93.07047	45.4
95.04957	9.0
95.08618	42.1
97.06525	8.2
97.10165	5.5
103.32307	3.3
105.07037	51.4
106.07320	4.5
107.08605	28.0
109.10177	22.4
115.05454	4.6
117.07015	32.1
119.08579	45.7
121.06567	7.1
121.10149	28.5
123.08078	6.0
123.11689	6.0
129.07007	19.1
131.08580	47.9
133.10155	42.5
135.08128	5.7
135.11694	22.5
141.06989	13.1
143.08582	13.6
145.10118	36.8
147.08141	4.2
147.10664	3.5
147.11670	18.2
149.09578	7.0
149.13272	9.5
155.08578	10.1
157.10112	13.0
159.11679	26.2
161.09520	4.4
161.13251	16.9
163.14838	3.9
169.10179	13.2
171.11714	16.9
173.13223	24.3
175.11191	5.3
175.14821	15.9
177.12822	5.0
183.11710	15.2
185.13277	16.1
187.14845	25.1
189.12721	6.1
189.16396	9.7
197.13287	14.8
199.14847	13.6
201.12791	6.2
201.16408	20.3
211.14792	16.1
215.14307	6.6
225.16423	10.3
239.17996	7.5
243.21036	14.5
257.19104	7.7
257.22610	7.8
267.21054	46.8
285.22144	73.0
303.23138	10.9
359.25867	7.9
377.27005	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.6
61.02919	3.1
66.03020	1.3
69.03432	7.4
69.65311	3.6
69.65718	3.6
81.03410	3.3
85.02915	23.3
86.09728	1.3
91.05480	1.7
97.02888	5.1
98.21436	2.3
100.48698	1.2
109.02890	1.3
112.68167	1.4
122.03687	2.0
127.03918	3.6
128.91275	1.2
137.05991	100.0
145.05032	6.7
147.04445	1.9
151.03966	1.7
151.07651	1.5
177.05449	2.3
179.03394	1.2
179.07069	35.6
180.08638	2.0
191.08713	1.3
197.08170	4.7
214.04782	2.4
375.18375	1.3
377.13901	1.3
377.18011	9.3
379.31024	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.6
56.96561	1.1
61.04041	1.0
61.12328	1.1
70.98605	2.1
72.08160	11.9
79.02402	0.8
84.60591	0.9
101.47304	0.8
114.09305	0.9
115.08699	14.0
137.06017	2.0
157.13371	100.0
163.04016	1.1
186.41231	0.8
237.00658	1.4
255.01712	1.4
273.02850	1.1
303.13516	0.9
320.14447	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1456
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
53.03934	2.0
55.01863	0.7
57.03167	0.7
57.03438	8.4
61.02924	3.5
69.03432	17.2
70.06601	0.6
70.64680	2.1
71.01342	2.2
71.05004	4.4
73.02928	2.9
75.04466	2.1
81.03416	4.7
83.14530	0.7
85.02834	0.7
87.04433	0.6
93.07059	0.5
95.04951	0.8
97.02886	0.7
98.28274	0.6
99.04442	4.2
109.02879	0.6
117.05484	1.6
118.52058	0.6
127.07537	0.7
132.95807	0.8
137.05962	1.7
145.07562	3.1
157.06372	1.2
157.07623	0.5
158.97435	0.9
159.04530	0.7
170.07166	1.4
172.08694	37.7
174.10341	0.9
186.10399	0.7
190.09755	0.9
198.06610	8.4
200.08200	5.7
203.07010	0.7
216.07681	18.9
232.99425	0.9
234.99062	1.3
243.08777	75.0
244.07019	1.2
244.09326	0.9
258.15128	0.8
273.11053	0.6
285.08566	0.6
302.17441	1.5
334.20078	2.1
359.13416	3.7
377.14532	100.0
378.15045	3.3
378.22964	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.5
55.05502	19.0
57.07070	3.4
61.31505	3.2
61.82132	2.9
67.05507	29.8
69.07069	14.8
69.19287	2.2
69.19579	25.4
71.08600	2.8
79.05498	33.6
81.07059	53.0
83.08604	8.4
91.05492	51.9
93.06487	4.9
93.07051	73.0
95.04975	31.5
95.08606	39.4
97.06527	8.2
103.05466	6.5
105.07037	100.0
107.04934	3.2
107.08598	35.6
109.06504	13.7
109.10165	25.9
115.05422	2.9
116.06268	3.2
117.07018	23.0
119.05845	2.3
119.08586	68.7
121.06494	11.8
121.10139	57.4
123.08047	5.9
123.11697	3.7
128.06204	10.0
129.07022	12.2
130.07767	9.2
131.08574	49.0
133.10144	39.6
135.08023	4.6
135.11667	14.0
141.06944	5.9
142.07808	17.9
143.08578	27.1
144.09357	7.4
145.10124	56.5
147.08122	4.5
147.11687	21.6
152.06279	3.2
153.06978	3.7
154.07787	3.6
155.08519	9.9
156.09300	9.4
157.10149	35.9
158.10878	4.6
159.11717	28.6
161.09610	10.8
161.13258	4.3
165.07037	3.9
167.08562	5.2
168.87239	2.5
169.10158	19.0
170.10921	6.1
171.11682	16.3
173.13300	15.4
175.11151	3.9
175.14848	6.3
179.08531	4.4
181.10098	7.6
182.10948	4.5
183.11703	12.5
185.13281	8.8
187.11244	3.1
187.14835	15.3
193.10135	7.4
194.10835	3.9
195.11668	12.2
197.13193	10.7
198.13864	2.8
199.14777	5.8
201.16454	3.0
205.10080	2.7
207.11682	6.2
209.13272	10.3
211.14833	8.9
216.10112	10.1
217.10539	15.1
221.13354	3.5
223.14767	5.6
225.16284	3.6
233.13295	3.0
235.14813	6.2
239.17601	3.7
245.13754	3.8
253.15753	3.1
271.15109	6.1
291.21085	2.7
299.18201	4.3
302.17538	4.7
303.18005	15.3
319.20596	3.0
331.20853	14.9
347.27487	3.2
375.26859	27.6
375.30917	3.7
375.36560	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	376.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.6
61.02919	3.1
66.03020	1.3
69.03432	7.4
69.65311	3.6
69.65718	3.6
81.03410	3.3
85.02915	23.3
86.09728	1.3
91.05480	1.7
97.02888	5.1
98.21436	2.3
100.48698	1.2
109.02890	1.3
112.68167	1.4
122.03687	2.0
127.03918	3.6
128.91275	1.2
137.05991	100.0
145.05032	6.7
147.04445	1.9
151.03966	1.7
151.07651	1.5
177.05449	2.3
179.03394	1.2
179.07069	35.6
180.08638	2.0
191.08713	1.3
197.08170	4.7
214.04782	2.4
375.18375	1.3
377.13901	1.3
377.18011	9.3
379.31024	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	2.4
51.71125	1.8
53.03941	8.4
54.92118	2.0
55.05510	15.4
57.07085	3.2
58.11002	2.0
65.03936	4.2
67.05509	30.2
68.61023	1.8
69.07067	16.4
69.84119	4.4
69.84525	9.0
70.40366	1.7
71.04993	2.9
76.97446	2.0
79.05496	39.3
81.07057	50.1
82.56257	1.9
83.04986	3.2
83.08618	4.4
91.05482	60.7
91.11243	2.0
93.07045	74.5
95.04965	33.6
95.08609	33.2
97.06546	10.7
103.05490	8.3
105.04531	4.0
105.07031	100.0
106.07343	2.7
107.08589	37.8
109.06541	10.1
109.10167	18.8
110.23659	2.4
115.05470	3.8
117.07028	21.4
119.08587	79.1
121.06506	16.9
121.10143	62.4
123.08102	6.1
123.11703	7.2
128.06190	10.5
129.07014	15.9
130.07811	10.4
131.08569	45.6
132.09210	2.4
133.10150	34.1
135.08008	3.6
135.11670	10.8
141.06976	6.6
142.07774	21.2
143.08557	29.2
144.09329	6.3
145.06424	3.6
145.10124	57.4
146.10670	2.7
147.08037	3.5
147.11693	18.3
153.07045	3.3
154.07793	2.6
155.08589	11.3
156.09256	4.2
157.10143	41.5
158.10956	3.4
159.08046	4.0
159.11699	29.7
161.09628	13.0
161.13312	4.6
165.07054	3.1
167.08594	4.9
169.10106	17.2
170.10898	4.6
171.11687	18.5
173.13203	15.5
175.11218	3.8
175.14836	7.4
179.08583	6.8
180.09395	2.5
181.10135	9.5
182.10976	4.7
183.11746	13.0
185.13289	8.1
187.11168	4.7
187.14819	14.6
187.72060	2.2
193.10162	8.6
194.10922	5.5
195.11638	13.0
196.12427	4.4
197.13289	11.5
199.11238	4.1
199.14874	5.8
201.16429	4.5
206.10887	2.9
207.11719	7.8
209.13229	13.0
209.47719	2.3
211.14784	5.7
213.16327	3.4
216.10185	10.4
217.10541	13.4
221.13242	2.9
223.14821	5.7
225.16400	4.8
227.02075	2.1
235.14780	5.1
237.16304	3.0
241.19789	2.4
245.13617	3.8
247.14792	2.2
249.16457	2.5
253.15791	2.9
253.19678	4.0
265.19562	5.2
270.20065	2.4
271.15256	5.5
298.10898	2.2
299.18292	5.1
303.17780	14.3
319.20642	3.2
331.20804	11.8
347.27332	3.3
357.25641	3.9
375.26733	35.4
375.36655	5.7
376.27402	3.8
377.39362	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.6
55.01865	8.2
55.05511	9.4
56.96571	1.7
57.03444	12.1
57.07075	3.5
65.03926	1.8
67.05183	2.3
67.05505	27.5
69.07058	5.9
69.32533	4.8
69.32970	6.9
71.04987	3.1
71.08633	100.0
73.02899	2.9
75.92027	1.3
79.05077	2.4
79.05495	31.2
81.03404	5.3
81.07061	15.1
83.04978	9.4
85.06537	3.0
91.05486	51.8
92.29064	1.5
93.07044	17.5
95.04979	7.4
95.08620	8.7
97.03484	1.4
97.06558	7.0
99.08096	63.6
103.05471	3.3
105.07034	22.0
107.04971	2.0
107.08587	6.2
109.06504	4.3
109.10158	4.7
115.05450	6.1
117.07019	38.8
119.08588	26.5
121.06504	6.8
121.10154	3.2
123.08080	6.8
127.11182	4.0
128.06233	6.6
129.05486	6.0
129.07011	17.2
131.08575	12.8
133.06525	2.7
133.10132	8.0
135.08035	4.5
135.11731	1.6
137.09616	4.8
141.06961	9.6
141.12724	2.9
142.07765	1.9
143.08577	17.7
145.06461	2.0
145.10144	9.8
147.08049	4.8
147.11656	1.6
149.09645	2.5
151.11195	33.6
153.12790	5.6
154.07841	1.6
155.08566	4.2
157.10118	8.3
159.11665	5.9
161.09647	8.2
163.11206	1.5
169.10120	12.0
171.11740	3.4
173.11870	1.6
175.14792	1.5
177.12733	2.4
178.65796	1.4
179.14369	2.2
181.10139	2.6
183.11737	3.3
185.09700	1.3
185.13263	12.7
187.11189	8.8
187.14833	1.5
191.14200	2.1
195.11728	1.9
199.14786	2.9
201.12614	1.8
203.14360	5.2
209.13405	2.1
216.10213	5.9
217.10535	8.7
217.15842	13.9
235.16949	5.0
245.13692	2.2
271.15118	3.0
283.20706	3.2
299.18344	3.7
301.21518	2.5
303.17841	9.3
331.20929	6.6
375.25290	12.6
375.36478	4.9
386.19281	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29982	2.0
56.96554	7.1
81.03406	2.9
84.04469	4.0
85.02901	6.6
86.09675	6.1
89.06037	52.0
97.02869	2.9
98.97583	2.5
104.11676	2.4
107.04942	2.2
107.07086	3.4
109.02855	2.6
124.03849	2.7
126.05560	11.3
127.03867	2.9
128.81955	2.4
133.08612	17.1
135.42764	2.2
137.05966	3.7
145.11565	2.5
151.03444	2.5
151.09683	3.5
177.05391	2.9
177.11336	2.9
195.12294	100.0
216.10153	3.9
224.07088	2.8
226.00551	2.8
227.02242	3.9
239.94360	2.3
253.00208	6.3
302.17551	2.9
330.20926	2.9
356.07645	2.8
358.06918	3.4
371.78940	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	375.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87705	2.1
53.38183	2.4
56.96555	7.9
64.26010	2.4
70.06596	3.2
70.80424	5.2
70.80765	2.4
71.56255	2.3
73.72892	2.0
84.04450	2.5
85.02921	2.5
91.38833	2.1
103.05472	8.4
108.69264	2.1
109.70413	2.9
120.07262	5.1
120.08113	100.0
123.37816	2.1
125.02500	2.3
127.03926	10.8
128.04944	3.5
131.04921	4.5
146.06032	45.5
163.03960	5.3
164.07022	3.9
166.08653	36.0
171.15149	2.3
176.22379	2.3
192.06613	15.2
237.00819	3.9
255.01776	4.2
304.95825	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	375.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.6
55.01865	8.2
55.05511	9.4
56.96571	1.7
57.03444	12.1
57.07075	3.5
65.03926	1.8
67.05183	2.3
67.05505	27.5
69.07058	5.9
69.32533	4.8
69.32970	6.9
71.04987	3.1
71.08633	100.0
73.02899	2.9
75.92027	1.3
79.05077	2.4
79.05495	31.2
81.03404	5.3
81.07061	15.1
83.04978	9.4
85.06537	3.0
91.05486	51.8
92.29064	1.5
93.07044	17.5
95.04979	7.4
95.08620	8.7
97.03484	1.4
97.06558	7.0
99.08096	63.6
103.05471	3.3
105.07034	22.0
107.04971	2.0
107.08587	6.2
109.06504	4.3
109.10158	4.7
115.05450	6.1
117.07019	38.8
119.08588	26.5
121.06504	6.8
121.10154	3.2
123.08080	6.8
127.11182	4.0
128.06233	6.6
129.05486	6.0
129.07011	17.2
131.08575	12.8
133.06525	2.7
133.10132	8.0
135.08035	4.5
135.11731	1.6
137.09616	4.8
141.06961	9.6
141.12724	2.9
142.07765	1.9
143.08577	17.7
145.06461	2.0
145.10144	9.8
147.08049	4.8
147.11656	1.6
149.09645	2.5
151.11195	33.6
153.12790	5.6
154.07841	1.6
155.08566	4.2
157.10118	8.3
159.11665	5.9
161.09647	8.2
163.11206	1.5
169.10120	12.0
171.11740	3.4
173.11870	1.6
175.14792	1.5
177.12733	2.4
178.65796	1.4
179.14369	2.2
181.10139	2.6
183.11737	3.3
185.09700	1.3
185.13263	12.7
187.11189	8.8
187.14833	1.5
191.14200	2.1
195.11728	1.9
199.14786	2.9
201.12614	1.8
203.14360	5.2
209.13405	2.1
216.10213	5.9
217.10535	8.7
217.15842	13.9
235.16949	5.0
245.13692	2.2
271.15118	3.0
283.20706	3.2
299.18344	3.7
301.21518	2.5
303.17841	9.3
331.20929	6.6
375.25290	12.6
375.36478	4.9
386.19281	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1963
Annotation	Spirotetramat
Peak:m/z	Relative Intensity
67.05514	9.2
69.07054	3.6
69.42931	20.4
76.81154	3.3
79.05505	8.9
81.07069	6.0
91.05479	5.9
93.07041	6.9
95.08602	5.1
96.08132	13.2
97.06544	8.5
105.07050	7.5
111.04417	3.4
117.06905	4.1
129.07034	27.8
143.08580	5.9
145.10196	3.7
155.08546	21.4
157.06480	10.8
181.10181	5.7
198.09149	11.6
207.11871	3.8
209.13335	9.7
224.14368	4.4
252.13858	19.2
284.16486	100.0
374.24060	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	374.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
69.86254	1.1
69.86655	1.6
77.67660	0.5
78.04702	0.7
85.02929	0.6
86.09695	1.4
87.11654	0.6
89.03919	9.2
91.05466	1.7
103.05453	0.7
106.04168	1.0
108.41161	0.6
117.03381	29.0
134.03636	2.0
135.04456	0.9
137.05960	0.7
145.02847	57.7
146.03142	0.7
149.05984	10.6
163.03972	0.6
164.63026	0.6
177.05473	100.0
178.05843	1.4
186.05498	0.7
195.10136	0.7
356.12701	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.2
59.59039	0.8
61.02918	2.3
69.03425	2.9
69.76176	3.5
69.76587	1.6
78.69392	0.8
81.03431	1.2
82.02617	0.9
85.02907	13.5
89.03915	4.2
91.03946	0.9
97.02895	4.4
114.63702	0.8
117.03380	15.0
127.03915	3.1
134.03740	1.2
135.04445	1.4
141.65460	0.8
144.35747	0.8
145.02846	41.9
145.04970	3.5
149.05986	5.3
149.33643	1.0
157.98500	1.0
162.03133	1.3
163.03932	2.5
177.05473	100.0
195.06532	46.8
196.06927	1.2
218.89401	0.9
224.84740	0.9
234.00359	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05515	1.4
69.65032	0.9
69.65498	1.0
79.05479	1.0
81.07034	0.8
91.05480	3.3
93.07008	0.4
96.08129	1.9
98.20813	0.3
103.05413	0.4
105.03336	0.3
105.07041	2.8
106.20859	0.3
107.04906	0.4
110.79350	0.3
115.05447	1.8
117.07023	13.9
119.08588	8.4
124.03953	0.6
124.07588	1.3
128.06221	1.0
129.06984	1.1
130.07774	2.0
131.08572	2.5
133.06483	1.1
133.10103	0.7
136.07570	1.3
141.07048	0.3
142.07768	0.5
143.08574	5.8
145.06529	2.0
145.08907	2.0
145.10117	16.2
147.08069	2.7
147.09132	0.5
147.11734	1.4
149.96313	0.3
153.07076	0.4
155.08566	7.0
156.09303	0.6
157.08942	0.4
157.10124	1.4
158.07288	1.7
159.08060	0.6
159.11644	0.6
160.11217	2.6
167.08559	0.7
168.09337	0.5
169.10104	1.8
170.09613	0.5
171.08023	0.8
171.11720	1.5
172.11195	0.5
173.06006	6.2
173.08327	1.1
173.09624	4.2
179.08560	1.1
181.10120	1.5
182.10957	1.4
183.06729	0.4
183.11714	2.7
185.09695	0.4
188.10741	3.9
190.08621	0.4
192.09315	1.3
194.10907	0.6
195.08047	0.3
195.11678	0.5
196.07591	1.0
196.12611	0.5
197.13278	4.0
198.09178	0.6
199.07602	0.4
199.14885	0.4
200.10664	0.5
201.09116	1.3
201.38396	0.3
207.11693	1.7
209.13271	0.5
211.07532	0.4
214.08752	1.5
214.15919	1.0
216.10208	100.0
217.10504	0.9
224.14417	0.3
225.12730	2.4
225.16301	0.7
228.10153	0.9
242.15405	0.8
242.19115	0.5
244.13348	24.8
252.13887	1.9
253.12239	4.3
253.15823	1.1
268.13297	0.5
270.14902	39.3
271.15192	0.5
281.15347	1.9
286.14371	0.5
298.18033	26.4
299.18439	0.5
300.16049	0.4
301.16617	0.4
302.17514	84.4
303.17853	0.9
330.20645	60.4
331.21045	1.3
374.19666	7.0
376.33838	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62120	1.5
53.03937	2.5
55.01880	1.5
55.05508	3.0
56.66323	1.3
64.05322	1.1
65.03931	2.4
66.18602	1.1
67.05504	11.5
69.03457	3.1
69.07072	3.3
69.78212	6.6
71.86787	1.2
77.03945	1.6
77.15443	1.3
79.05026	2.0
79.05493	35.8
81.03407	2.1
81.07056	16.1
83.04986	2.8
83.08637	2.5
85.06546	3.2
91.05479	26.1
93.07043	18.2
95.04964	4.1
95.08613	11.8
97.06534	7.8
98.21436	1.4
103.05499	1.8
105.07034	50.3
107.04937	2.5
107.08599	100.0
109.06512	4.4
109.10151	4.9
110.39397	1.3
111.04421	1.6
111.08057	1.7
115.05418	2.2
116.06226	1.5
117.07018	16.4
119.05998	1.5
119.08584	18.5
121.06490	4.5
121.10149	11.5
123.04418	2.2
128.06219	5.1
129.07014	9.8
130.07794	6.1
131.08577	47.7
133.06490	1.9
133.10123	15.8
134.33813	1.4
135.08064	3.7
135.10716	1.1
135.11676	6.9
137.06021	2.1
137.09663	1.9
141.07014	2.5
141.40198	1.2
142.07774	2.8
142.48622	1.2
143.08569	17.2
144.09329	1.4
144.92802	1.3
145.06459	3.1
145.10126	69.0
147.08057	4.2
147.11690	20.5
148.62236	1.4
149.05992	1.5
149.09605	11.2
149.13260	2.0
155.08585	5.6
157.10094	9.8
158.07315	2.0
159.08080	5.4
159.11702	21.1
161.05960	1.6
161.09602	9.1
161.13269	4.9
163.03940	2.0
163.07434	1.6
163.11177	3.6
165.12753	3.3
167.08569	1.6
169.10130	7.1
171.11665	6.7
173.05980	2.1
173.09631	44.9
173.11041	2.6
173.13297	5.3
175.07564	1.3
175.11182	12.7
177.09125	1.5
177.12791	5.7
179.08568	1.6
181.10188	2.9
183.11742	4.7
185.09697	1.9
185.13220	4.5
187.11197	10.1
189.12788	3.2
189.16206	1.5
191.10669	27.6
191.14360	5.4
195.11745	2.3
197.13306	2.9
197.93832	1.1
199.11009	2.1
199.14854	2.8
201.12726	1.8
205.12148	1.9
209.13254	2.2
209.15305	2.7
211.11223	1.9
211.14720	1.9
215.10732	5.1
229.12296	3.4
253.19547	22.6
271.20563	18.0
277.19351	2.8
285.22574	1.4
289.21655	3.6
291.21158	4.1
301.19662	2.0
309.22235	4.7
311.23538	1.6
319.20499	13.8
337.21652	44.1
355.22702	38.5
355.26993	2.8
373.24091	13.9
391.98572	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26339	0.7
55.01856	0.7
55.14647	0.6
55.77159	0.6
56.63125	0.6
57.37761	0.6
58.87226	0.6
68.40534	0.6
69.03402	2.6
71.49196	1.1
71.63536	0.7
73.02885	1.0
74.04131	0.7
74.78450	0.7
77.03921	0.7
79.05482	1.0
81.03407	1.5
85.02905	7.4
86.09697	3.5
87.00809	2.9
89.03922	10.4
91.05486	17.8
91.63656	0.7
97.02883	3.0
99.04442	1.9
105.01863	4.6
105.07005	1.1
106.04118	0.9
107.31467	0.7
109.02875	2.7
112.78955	0.6
117.03381	32.4
127.03922	4.9
129.07068	0.9
131.05005	0.6
134.03607	2.7
135.04471	1.0
137.05963	2.1
145.02846	57.1
145.04956	2.4
149.05974	10.1
151.03905	3.9
159.02913	1.9
163.03848	1.1
177.05470	100.0
178.05812	1.9
215.14105	0.8
229.02855	0.7
231.04961	1.4
356.08157	1.0
374.19855	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2373
Annotation	Xysmalogenin
Peak:m/z	Relative Intensity
53.03944	5.5
55.05495	8.9
65.03929	5.2
67.05519	24.9
69.03428	2.8
69.07069	7.4
69.39285	13.7
69.39709	4.7
79.05498	34.2
81.06598	3.1
81.07056	46.1
83.08611	7.0
88.43233	2.2
91.05487	33.6
93.06489	4.0
93.07046	50.4
95.04964	8.5
95.08609	33.0
95.61832	2.2
97.06531	6.7
105.04546	3.5
105.07036	58.5
107.04948	6.1
107.08598	48.3
109.06543	13.7
109.10162	13.1
111.04427	9.8
111.08070	2.9
117.07009	12.9
118.69460	2.0
119.08583	36.3
121.06506	6.2
121.10146	40.6
123.08131	2.6
125.05999	76.5
125.09627	7.0
128.06238	3.3
129.07005	16.5
131.08569	32.7
133.06479	6.4
133.10144	30.3
135.08023	6.1
135.11693	14.7
137.05968	2.6
137.09593	7.5
139.03902	6.4
141.07011	5.5
142.07782	4.4
143.08540	21.8
145.10132	35.2
147.08090	5.1
147.11690	27.5
149.06032	4.4
149.13269	6.1
153.05472	56.5
155.07011	31.6
155.08521	11.0
157.10165	20.1
159.11708	44.0
161.06039	3.2
161.09537	4.4
161.13284	16.8
163.07634	5.3
163.11227	2.0
163.14835	2.5
165.07014	3.0
166.07611	2.6
167.07213	4.6
167.08578	4.4
169.10147	9.2
171.11690	18.7
173.13280	13.1
175.07552	3.6
175.11084	3.3
175.14827	19.7
177.09033	2.9
179.07011	2.4
179.08548	4.2
179.10593	2.7
181.08627	4.3
181.10127	8.7
183.11699	8.7
185.13248	14.4
187.11147	4.4
187.14833	11.6
187.27757	2.2
189.09062	3.8
189.16396	11.4
191.10690	4.4
193.08572	2.4
193.10159	2.8
195.11653	10.9
197.13261	11.0
199.11263	2.5
199.14828	15.0
201.12686	3.8
201.16365	30.7
203.10709	4.4
203.17973	4.1
207.11674	3.5
209.09535	2.7
209.11546	3.0
209.13228	10.8
211.11241	2.7
211.14813	8.5
213.16351	8.6
214.28111	2.1
215.17934	8.9
215.42078	2.7
217.12276	9.6
219.11798	2.3
221.13370	4.8
222.13870	3.4
223.11156	2.7
223.14822	6.8
225.16431	5.1
227.10651	3.7
227.14455	2.6
227.17896	5.0
229.12117	5.0
233.11537	4.0
235.14778	7.6
237.16429	3.6
241.12234	5.1
243.13799	6.1
249.16318	3.2
251.17993	4.1
253.19670	2.6
255.13795	6.4
257.15390	3.2
269.18912	2.7
273.14822	6.6
277.19562	11.2
281.15259	7.3
281.22620	3.6
291.21027	14.2
295.17014	3.7
295.20306	4.6
301.19403	3.3
309.18704	2.8
309.22070	10.3
319.20514	13.9
327.23227	4.8
337.21637	81.8
338.22058	4.0
355.22684	100.0
356.22931	6.0
373.08847	3.5
373.23792	48.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07475	4.8
52.05109	6.2
55.05517	9.0
63.61652	5.3
67.05500	11.9
69.03428	11.7
69.07054	10.3
71.04996	6.6
71.48555	6.7
79.05504	13.0
81.07053	19.3
84.05712	5.8
85.02896	18.7
90.91531	6.3
91.05444	11.4
93.07056	14.1
95.08607	23.5
97.02917	9.1
97.06518	18.8
97.42101	6.1
105.07034	11.5
107.08602	18.0
109.02858	9.3
109.10156	39.9
119.08586	25.4
121.10170	13.5
123.08049	10.9
123.11737	7.7
133.10091	9.7
135.11697	13.7
137.05984	9.1
137.09625	36.1
140.88251	6.1
147.11755	9.1
151.11223	7.5
151.14943	6.0
163.03979	8.5
165.06773	6.0
165.12848	6.3
166.08807	5.5
173.02502	7.0
175.14786	28.4
193.15897	20.4
195.08028	5.7
211.16943	100.0
253.05135	5.8
259.09723	6.6
286.59735	6.5
299.05579	6.8
329.18417	7.4
355.12015	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	373.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	22.9
55.05517	16.1
55.60848	2.5
57.07078	6.0
58.99582	8.1
62.99080	14.6
65.03925	3.7
67.05515	15.5
68.05042	4.6
69.03429	3.4
69.07069	100.0
69.73629	8.8
69.74043	5.5
73.01094	3.3
76.04009	6.5
79.05489	8.8
80.05022	5.9
81.03413	4.7
81.07056	7.9
83.08623	5.5
84.04512	26.8
85.01109	4.9
85.02943	2.5
86.06059	11.6
86.99065	6.7
87.02695	23.5
88.02193	4.3
88.66314	2.6
91.05477	13.9
93.07023	7.2
95.04967	4.2
95.08606	7.3
96.04490	6.2
97.06544	15.3
99.02667	7.0
103.05495	4.4
105.07021	9.3
107.04932	4.2
107.08584	10.4
108.04522	4.0
109.10193	6.2
110.06085	4.0
111.04419	3.6
111.11729	7.6
112.03971	17.2
113.00610	3.7
113.04244	3.5
114.03742	5.9
116.01687	34.1
117.03403	3.3
117.07037	5.0
119.04935	6.4
119.08544	4.4
121.10107	4.3
122.03625	4.2
122.09662	3.2
125.09560	3.3
129.07014	18.2
130.05003	50.6
131.04913	3.6
131.08621	5.9
133.06462	2.6
135.04408	2.7
135.08049	4.0
135.11697	4.2
136.03934	11.6
136.05003	2.6
137.05986	65.8
137.07063	3.5
140.01622	6.6
142.03244	32.9
142.05005	5.5
143.08914	16.7
144.01161	9.7
144.04761	25.0
145.10127	5.8
147.11717	3.5
151.07558	37.6
157.06506	11.1
159.08176	2.6
159.11734	5.0
161.05966	8.5
161.09927	18.8
162.02196	26.7
163.03880	20.9
163.07558	6.8
165.06958	10.9
169.10484	22.5
170.02711	16.9
172.04236	7.9
173.05980	3.4
173.09695	3.8
173.13286	3.8
174.06787	5.3
175.07593	6.7
179.08542	4.1
180.21141	2.9
181.06468	4.6
188.03908	3.2
189.09105	37.9
192.09453	3.9
193.06393	7.5
193.10153	8.2
195.07965	3.5
198.05760	5.5
210.06754	7.2
211.07182	23.3
213.05447	2.8
217.05176	3.5
221.05984	11.8
221.09573	12.5
224.08281	4.4
225.09093	9.0
227.04811	5.9
237.09100	3.6
243.04414	4.2
243.92686	2.6
245.05923	9.1
249.09132	7.7
252.14195	30.5
253.08563	10.6
253.12282	20.8
259.09647	9.1
266.57932	2.6
267.10104	7.5
269.08051	4.2
270.15231	5.6
272.10394	4.0
272.13135	28.1
280.13626	3.8
281.11560	5.9
285.11209	26.8
290.14252	24.4
313.14337	20.0
337.15271	3.8
354.53323	3.1
355.16556	9.4
355.22537	5.5
373.09128	6.6
373.17059	4.2
373.21146	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	373.222
Annotation	Byzantionoside B
Peak:m/z	Relative Intensity
55.05515	15.5
55.63392	7.9
67.05500	22.7
69.03419	13.4
69.07071	21.2
70.90356	8.4
70.96438	9.1
71.48854	13.3
78.36467	7.4
79.05476	11.0
81.07053	23.8
83.04983	12.8
85.02889	21.4
91.05475	13.4
93.07067	14.9
95.08609	39.9
97.06527	10.4
105.07036	11.4
107.08591	32.2
109.06512	11.9
109.10172	77.0
119.08587	46.4
121.10145	13.1
122.09657	25.1
123.08116	9.0
123.11719	13.0
125.09707	9.9
133.10110	20.7
135.11700	100.0
137.09552	12.7
147.82704	9.8
171.11691	9.0
175.14790	42.8
193.03551	8.7
193.15868	48.2
211.07460	10.1
211.17058	46.2
262.10199	10.4
322.48041	9.4
351.05081	9.7
354.67487	8.4
364.71841	21.8
373.21506	19.6
374.91562	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	373.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	27.7
55.05519	17.5
57.07069	6.9
58.99583	6.7
62.99080	20.1
63.63106	2.4
67.05511	12.0
68.05018	4.1
69.07071	100.0
71.49181	3.1
73.01145	3.3
73.06572	2.6
76.04007	7.3
79.05501	3.1
80.05020	3.8
83.08610	6.0
84.04508	32.1
85.01123	3.3
86.06071	17.3
86.99062	6.2
87.02708	38.2
88.02214	3.3
93.07051	6.3
95.08655	2.6
96.04494	9.9
97.06516	4.2
99.02689	9.0
101.04250	3.4
107.08614	3.2
108.04497	11.6
109.10182	5.7
110.06042	7.0
111.11719	10.9
112.03975	21.5
113.00587	3.6
113.04252	3.9
114.03763	7.5
114.05559	4.4
116.01674	32.1
126.05520	3.9
130.04054	3.9
130.05008	59.7
132.08774	3.0
135.11688	5.0
136.03944	13.3
140.01637	6.3
142.03241	40.1
142.04994	6.1
143.08894	19.7
144.01138	11.7
144.04797	33.7
154.04991	3.7
161.09956	17.9
162.02237	31.1
169.10503	25.7
170.02684	18.6
172.04294	5.4
187.11494	3.1
198.05840	4.6
211.07133	23.5
217.34486	2.4
243.04367	9.1
245.06004	9.9
252.14200	38.2
270.15274	7.0
272.13150	35.0
280.13702	3.2
290.14249	28.1
305.96320	2.6
325.66946	2.4
337.15775	4.0
355.16879	11.5
374.14990	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	373.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.5
55.01874	11.8
55.05505	5.3
57.03437	4.9
57.07687	1.5
59.04996	2.1
59.21392	1.5
60.59926	1.7
61.02915	4.1
65.03938	2.0
67.05505	20.6
68.99789	5.1
69.03430	12.7
69.07063	5.2
70.03760	1.8
70.35537	3.8
70.35946	3.5
71.01351	3.2
71.04995	28.1
72.19096	1.7
73.02906	2.8
79.05500	15.3
81.03420	23.8
81.07061	16.5
83.04977	11.9
85.02908	35.3
85.06548	3.4
87.00844	10.8
87.04485	3.0
91.05479	21.6
93.07047	21.1
95.04967	29.7
95.08604	17.8
97.02876	14.4
97.06535	46.1
99.04476	9.0
99.08039	2.0
103.05463	2.3
105.01864	3.7
105.07041	15.7
107.04961	6.1
107.08597	38.6
109.02891	17.0
109.05802	3.5
109.06528	54.5
109.10154	13.4
110.06947	1.7
111.04456	7.3
111.08083	4.0
115.03905	9.5
115.05450	2.6
117.01845	2.2
117.07041	8.6
119.04964	4.1
119.06116	2.4
119.08574	19.9
121.06506	23.6
121.10152	7.4
123.04448	11.6
123.08079	20.2
123.11727	2.2
125.05978	2.4
125.09648	21.0
127.03933	11.7
129.01866	6.7
131.04932	1.8
131.08580	6.6
133.06531	3.2
133.10100	3.7
135.04436	2.0
135.08060	7.6
135.11667	3.2
135.64140	1.5
137.06001	12.9
137.09621	100.0
139.11217	1.8
141.09149	10.9
143.08591	4.1
145.04955	2.8
145.06505	4.5
145.10129	8.4
147.08078	3.9
149.06004	4.4
149.09647	6.9
149.13416	1.5
151.07562	3.5
151.11130	2.2
153.09071	2.2
155.08609	2.0
157.10168	2.6
159.02948	3.7
159.11716	6.1
161.06006	4.6
161.09650	4.9
163.07542	17.0
163.11191	6.0
165.05521	12.1
165.09146	7.0
167.10672	21.9
171.02893	2.5
171.08144	2.2
173.09656	10.9
175.07539	2.6
177.09090	3.1
177.12878	3.1
179.06996	2.7
179.10721	11.2
181.08708	2.2
185.13219	3.7
187.11290	2.2
189.03947	4.5
189.09149	3.8
191.07089	1.9
191.10674	26.0
197.13321	2.4
205.12262	9.6
207.10107	2.1
209.11687	24.9
212.05539	1.6
213.04033	1.7
215.10680	5.4
231.04950	2.9
233.11736	54.3
234.12027	2.3
251.12714	14.8
307.40811	1.6
319.24167	2.2
337.12866	4.2
337.25287	4.5
355.13843	12.0
355.26318	7.3
373.27518	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
67.62124	1.8
69.70941	9.1
84.08182	1.8
89.25929	1.8
91.05492	9.5
98.06042	1.7
103.05498	2.1
111.59751	2.0
115.05467	5.0
117.07007	2.7
119.04929	10.8
122.03660	4.1
137.05988	37.7
143.04874	2.5
145.02777	2.1
145.06494	6.7
147.04428	8.2
149.06004	4.1
150.06770	2.6
151.03978	2.2
151.07501	1.7
158.03651	9.6
160.05202	2.2
161.05995	2.6
163.03877	3.3
173.06024	18.8
175.03905	5.4
175.07591	4.7
177.05475	3.8
179.06960	2.4
186.03110	6.8
189.06958	2.9
190.46150	1.8
201.05482	100.0
202.05766	2.2
203.07109	2.1
205.06494	5.7
206.07297	2.3
209.05811	1.8
219.06438	11.0
221.06038	3.0
222.06758	5.1
223.07440	3.2
233.06004	6.2
234.06801	4.9
237.09102	5.7
250.06305	5.4
251.06995	5.6
264.07843	2.5
265.08691	14.4
267.06229	1.7
271.37262	1.7
273.05536	2.0
277.05331	1.8
277.08572	4.5
278.05704	2.7
290.05783	1.8
292.07294	5.9
293.08090	12.1
294.08701	2.2
295.09616	2.7
297.11194	5.7
305.08032	5.6
307.09631	15.1
310.08157	3.7
313.10706	3.3
323.09183	1.9
325.10706	31.2
337.10818	5.2
350.75107	2.0
355.11841	9.4
373.10498	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	373.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25098	1.6
65.03960	2.4
67.05489	2.2
69.03400	1.7
70.54465	3.0
70.54804	3.0
77.19293	2.1
79.05492	2.5
81.07054	2.2
83.08634	2.0
86.09728	2.5
91.05495	9.9
103.05511	2.3
105.03430	2.2
115.05471	3.7
117.07012	2.8
119.04934	7.2
122.03683	3.7
124.05241	2.2
130.04149	3.7
131.04941	3.4
135.04436	2.8
137.05994	44.1
143.04955	3.1
145.06503	8.5
147.04425	6.8
149.05989	4.2
150.06778	4.6
158.03645	6.8
160.05185	2.6
161.05969	4.9
173.05994	18.9
175.04022	3.2
175.07574	2.5
177.05547	3.9
177.07069	2.6
179.07129	2.6
183.15768	2.4
186.03130	7.4
194.07269	2.6
201.05490	100.0
202.05869	2.8
203.07120	2.5
205.06482	7.3
206.07230	2.9
211.15271	2.3
219.06607	8.3
222.06801	5.7
225.09206	2.2
228.18204	2.1
233.06003	7.8
234.06812	4.8
235.07533	3.2
237.09117	6.3
239.07056	2.2
247.07718	2.0
249.05566	2.2
250.06273	7.5
261.05499	2.5
262.06207	4.9
265.08630	15.2
277.08472	3.8
278.05777	3.5
279.06589	2.6
290.05737	2.4
292.07318	4.6
292.61691	1.9
293.08176	14.2
297.11185	3.5
305.08157	5.7
307.09662	14.0
308.19794	2.0
310.08237	2.1
325.10718	30.3
337.10703	3.9
343.11578	2.9
355.11792	8.4
373.18359	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	373.1283
Annotation	Tangeritin
Peak:m/z	Relative Intensity
67.05482	0.4
68.99772	0.8
69.03413	1.0
70.00446	1.9
80.35291	0.4
86.28799	0.4
93.07011	0.6
97.02872	0.5
98.21437	0.5
99.04441	0.7
105.07028	0.7
111.08067	0.5
127.03895	2.1
129.97269	0.4
132.05637	0.5
133.06508	2.9
135.04434	4.7
137.02309	0.7
138.06857	0.4
165.01811	0.5
168.00528	1.6
183.01379	0.9
183.02899	12.9
183.04509	0.7
186.01613	0.6
193.01311	1.6
197.08224	0.4
200.92743	0.4
209.38397	0.4
211.02391	9.8
214.06183	1.3
216.10109	0.9
227.07005	0.7
228.04213	2.4
229.03365	1.5
229.05148	1.1
242.05768	0.8
243.06587	0.7
244.07237	1.1
247.06000	0.9
254.05724	1.0
265.08679	0.5
269.08054	1.6
270.14810	0.6
271.06039	7.5
272.06647	1.4
282.05215	2.7
282.08124	0.5
283.05997	3.7
283.08920	0.7
285.04108	2.3
294.09106	0.5
297.07614	10.7
299.05542	4.0
300.06268	8.8
300.09430	0.7
302.17700	0.6
311.09122	1.0
313.07123	0.8
315.05127	0.8
315.08542	4.5
323.05472	0.8
325.07071	7.4
327.08557	1.3
328.05817	6.8
329.10382	1.0
339.08740	0.5
343.08130	91.7
344.08499	2.8
358.10495	14.7
359.10709	0.5
373.12830	100.0
374.13254	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05476	0.7
56.96553	0.8
70.06577	2.4
71.47616	1.1
73.04748	2.4
107.08567	0.8
117.03400	0.9
124.03954	10.8
129.07027	0.7
141.06975	1.0
145.02843	1.0
147.04428	0.9
149.05992	2.8
157.08890	4.3
158.09656	1.4
159.08035	1.6
163.03964	0.7
170.09633	14.1
171.10449	1.4
172.11151	2.1
177.05511	1.9
183.10410	1.5
184.11195	4.3
185.05904	0.7
185.11981	17.6
186.09033	0.8
186.12769	16.0
187.07509	1.9
187.13495	1.0
195.08032	1.0
196.11220	1.6
197.11955	1.7
198.09102	1.2
198.12804	3.1
199.09920	1.8
199.13538	1.2
200.10522	0.7
201.07767	2.7
208.11273	1.9
210.09099	1.7
212.10686	1.2
213.09244	0.7
214.15938	2.4
223.09892	0.8
224.10738	2.4
225.11565	1.6
226.08621	1.6
226.12238	2.9
227.09373	3.8
227.12848	0.7
228.10172	0.7
228.13808	4.5
235.09668	0.9
236.10612	1.0
236.14377	1.3
237.11392	1.0
238.12299	2.5
238.15916	0.8
240.10205	1.6
241.11089	1.0
242.56720	0.7
252.10176	1.4
253.10954	1.9
254.11766	2.4
254.15419	3.0
255.12465	0.8
256.13327	44.7
263.09268	1.8
264.13824	6.1
266.11783	0.9
266.15341	1.5
267.12427	1.1
276.41769	0.8
280.09424	0.8
281.10464	1.8
282.11755	1.3
282.14871	8.1
284.16479	2.7
292.13254	3.1
309.14767	1.3
310.14352	100.0
311.14719	2.5
328.15414	82.6
329.15674	2.9
331.33121	0.7
337.14178	1.3
354.13278	2.3
355.15527	2.5
356.07135	1.4
372.14264	14.2
372.18109	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.4
55.05519	1.3
56.03949	1.1
62.67733	1.2
63.49495	1.1
69.15002	7.3
69.15425	5.0
70.06591	1.2
79.05491	1.4
86.09715	2.0
91.05462	6.7
94.04195	1.7
98.20789	2.0
100.11232	1.8
102.04682	1.6
103.05482	1.2
105.07030	1.5
109.06531	1.2
111.04430	3.5
115.05495	3.4
117.07039	2.4
119.04936	8.8
122.03665	2.5
128.07123	1.4
130.04152	2.1
131.04935	1.4
133.02846	1.7
135.04427	1.9
137.05981	27.2
137.06963	2.2
138.06360	1.7
143.04965	2.9
145.06468	5.7
147.04437	6.2
149.06009	2.8
150.05522	1.5
150.06747	4.5
151.03944	2.1
158.03638	9.7
160.05144	1.5
161.06021	1.5
162.06770	1.5
173.05989	19.3
174.05544	2.2
175.03917	5.3
175.07570	2.7
176.06468	1.6
177.05516	2.3
177.07091	3.3
178.04912	1.5
179.05475	1.3
179.06996	1.6
183.15808	1.7
186.03143	4.8
189.05421	2.5
189.06926	1.3
194.07266	3.2
201.05472	100.0
202.05862	2.6
205.06519	10.0
206.07202	2.1
207.06578	1.6
210.14961	1.6
211.07555	1.8
211.15248	3.8
213.05562	2.2
219.06487	9.0
221.05969	3.2
222.06734	5.6
223.07339	1.9
231.06476	2.1
233.05954	7.0
234.06726	5.6
235.07600	1.5
236.07904	1.8
237.09099	4.8
239.07018	2.7
247.07431	1.7
249.05350	3.0
249.09271	1.7
250.06137	6.6
251.06903	3.2
252.07431	1.6
253.08577	2.5
254.08977	1.3
261.05511	2.7
262.06216	2.1
263.07083	1.4
264.07565	2.6
265.08624	11.2
266.07913	2.0
267.06229	2.3
269.04398	1.7
275.07169	1.5
277.08578	2.0
278.05612	3.5
279.06305	1.9
282.08673	2.0
283.08221	1.2
284.09552	1.9
290.05899	2.2
292.07248	4.7
293.08060	11.1
295.05765	2.1
297.11337	3.5
305.08163	3.7
307.09668	15.2
309.09421	3.9
310.08011	9.6
312.09091	1.7
325.10727	32.2
327.10507	4.4
329.06561	1.7
337.10684	3.7
338.21652	2.4
343.11658	1.5
345.11572	2.0
355.12009	6.3
356.22482	1.7
373.10858	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	372.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21977	0.2
53.03945	0.3
69.03410	0.4
70.37771	0.9
77.11986	0.3
78.03487	1.2
80.05022	2.7
81.03407	0.3
85.02903	0.6
96.04491	1.3
97.02891	0.4
99.04477	0.3
105.01853	0.4
109.02867	0.4
124.03959	100.0
125.04314	0.8
127.03926	0.5
127.68965	0.2
137.05956	0.5
144.21452	0.2
354.06250	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.108
Annotation	Nedocromil
Peak:m/z	Relative Intensity
64.11589	2.4
68.39015	2.2
70.43201	4.9
70.43604	4.6
79.74773	2.5
89.92905	2.1
103.05495	3.3
111.04357	2.3
119.04923	2.8
122.03613	4.0
126.86615	2.7
128.04967	9.2
131.04933	3.8
137.05991	50.5
147.04478	3.2
149.05933	3.8
150.05499	4.1
151.03914	4.1
156.04413	12.8
158.05994	3.7
162.05499	11.0
164.07129	3.3
174.05513	32.5
175.06216	3.7
176.03317	2.3
176.07053	19.0
177.05542	2.8
177.07024	4.4
178.05017	28.3
186.05492	4.3
201.05522	11.9
202.05005	7.3
205.06430	13.3
206.04462	12.1
208.06062	8.5
210.06819	4.3
210.14928	5.7
219.06499	2.7
220.05354	6.6
220.07614	3.1
221.05965	22.9
223.07523	15.5
226.08574	3.1
233.06094	4.8
234.06689	3.4
235.07576	15.2
237.05522	2.6
237.09381	2.6
238.06264	8.1
238.08531	4.9
239.09506	2.8
248.07219	5.9
249.05539	31.6
249.07857	5.0
250.06271	8.7
250.08717	8.1
251.06975	20.2
253.08725	11.1
254.08197	4.5
254.44244	2.7
263.07013	20.2
264.10483	2.9
265.07535	17.0
266.05865	16.4
266.08170	20.9
268.07278	4.2
276.06522	3.2
277.04929	35.4
277.07654	3.0
278.05893	3.9
278.08154	15.4
279.06516	7.0
281.08252	14.5
282.07632	15.9
283.08878	19.3
284.09323	4.9
291.06537	11.7
292.06720	2.7
293.06732	30.4
294.05133	30.6
294.07895	4.3
294.88696	2.9
295.08606	4.3
296.06607	3.1
297.07733	2.7
298.10748	25.9
308.09164	51.1
309.07535	96.4
310.07745	3.3
310.10800	17.4
311.09058	19.6
326.10226	59.9
329.09143	3.6
337.06976	2.9
337.21194	2.7
344.11304	27.6
354.09747	45.3
372.10825	100.0
372.15512	5.4
373.10983	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	371.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	8.1
55.01871	4.8
55.05519	24.9
57.07067	8.9
67.05504	30.2
69.07071	20.7
71.04983	6.3
71.08624	5.0
71.49308	7.3
79.05502	31.0
81.07047	40.0
83.04971	14.2
83.08600	14.2
91.05452	42.9
93.07047	100.0
95.04974	10.6
95.08608	50.2
97.06524	27.4
101.06030	15.1
103.05461	6.1
105.07032	65.8
107.08590	39.4
109.06506	8.3
109.10153	30.6
111.04435	6.6
117.06993	13.1
118.32632	4.5
119.08584	72.3
121.06506	8.8
121.10129	42.1
123.08083	10.7
123.11694	10.6
128.06184	11.4
129.05447	6.9
129.06973	6.4
130.07674	4.4
131.08566	31.1
133.10124	46.7
135.08022	10.2
135.11699	18.7
137.09544	6.1
137.13261	7.2
137.71590	4.1
139.07553	57.3
142.07808	10.6
143.08588	29.9
145.10149	46.4
147.06525	10.5
147.11682	16.1
149.09602	7.6
155.08528	7.5
156.09366	7.0
157.10153	40.8
159.11694	31.3
161.09628	8.5
161.13223	8.9
163.11241	4.8
165.07068	6.2
167.10641	5.4
169.10094	13.6
171.11688	17.9
173.13240	21.5
175.14787	23.7
179.10655	8.6
181.10124	7.2
183.11630	9.9
185.13208	15.7
187.14828	11.8
195.11717	13.2
197.13246	11.0
201.16322	7.9
209.13327	11.1
211.14833	5.8
213.12819	8.1
213.16402	6.3
223.14867	5.1
225.16391	7.9
237.16257	4.9
239.17885	5.9
265.19513	7.9
268.26367	7.5
281.22778	4.6
285.00897	6.2
301.10400	4.6
317.31741	4.6
353.24567	9.5
371.25687	17.0
371.29938	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	371.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	11.2
55.05510	8.9
57.07071	6.2
59.71693	1.4
60.72429	1.3
66.50549	1.5
67.05506	14.3
68.53088	1.3
69.06699	1.9
69.07065	11.9
71.04995	10.1
79.05498	7.0
81.07059	35.6
82.15912	1.4
83.04968	2.5
83.08633	8.5
85.06543	4.8
89.06041	2.9
91.05486	4.5
91.25793	1.4
93.07044	23.2
95.08612	51.2
97.06533	100.0
97.10172	5.7
101.06024	2.5
105.07014	7.4
107.08595	26.8
109.10161	30.2
111.04411	1.9
111.08065	2.4
111.11704	3.8
119.08604	7.6
121.10146	23.3
123.11723	16.4
127.09599	1.5
131.08545	3.7
133.08672	1.8
133.10130	7.8
135.11694	18.3
137.13263	18.7
145.10098	3.6
146.76160	1.4
147.06586	1.6
147.11644	5.3
149.13266	24.2
151.11168	13.0
151.14867	3.7
155.14255	1.8
159.11722	3.6
161.13298	3.3
163.14828	8.6
165.12790	5.6
170.03778	1.4
173.13303	3.0
175.14839	3.3
177.16403	5.8
179.14276	2.4
187.14951	2.1
189.16379	4.3
191.18031	4.1
201.16440	3.3
203.17902	5.0
205.19534	19.3
217.19473	3.4
219.17476	4.0
219.20949	1.8
233.18970	4.6
244.46942	1.5
257.22589	2.2
268.26385	1.7
287.27325	4.2
353.32062	2.3
371.33096	55.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32293	0.5
54.91653	0.4
55.05511	1.2
55.92424	0.4
57.03455	0.7
65.00387	0.4
67.87179	0.4
69.03430	1.8
70.06595	0.6
71.49201	0.6
73.02912	0.5
73.04752	0.8
73.06553	1.4
81.03415	2.0
81.07051	0.5
83.04993	1.3
85.02901	3.2
86.09724	0.5
87.00797	0.6
87.04463	5.4
89.06034	100.0
90.23286	0.4
91.05798	0.7
93.07025	0.5
97.02895	0.5
97.06532	1.3
99.04388	0.8
101.06017	1.0
107.07086	1.7
109.02879	1.4
111.04462	0.6
127.03937	1.6
129.05478	1.2
130.08646	0.5
131.07068	1.1
133.08614	48.1
154.08676	0.6
172.09738	0.8
177.11238	10.4
177.12712	0.7
189.04042	0.7
189.05580	0.6
195.12355	0.6
209.15417	0.7
210.11343	0.6
217.05066	1.2
250.10806	1.6
265.16589	0.6
268.97913	0.6
283.17606	1.1
285.01044	0.5
308.09439	0.9
327.20236	0.9
371.16672	0.7
371.22723	2.9
372.11008	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94042	0.9
55.05504	4.6
57.03432	4.8
57.07075	1.4
58.99575	1.8
61.01157	4.5
62.99067	2.8
65.84833	0.9
67.05507	14.0
68.05019	2.7
69.07059	3.8
69.23235	7.6
69.23632	1.9
71.04978	1.3
71.08638	7.4
72.61779	1.0
76.03993	2.9
77.00616	1.6
77.30256	0.9
79.05483	3.1
80.05028	8.8
81.03391	1.1
81.05795	1.7
81.07044	4.0
83.04948	1.8
83.08618	1.4
85.06560	1.2
86.00651	1.2
86.06043	1.3
87.02708	1.5
89.00616	13.6
91.05488	1.1
95.04943	1.5
95.08617	1.3
96.04506	5.4
97.01105	0.9
97.06525	1.6
97.10175	4.1
99.08105	2.6
101.06020	1.1
102.65726	0.9
105.07016	2.2
107.08585	3.3
108.04491	4.4
109.10170	10.0
112.03918	0.9
114.03761	15.4
116.01694	2.1
119.08608	1.2
124.02199	2.2
126.86553	0.9
127.11183	18.1
127.12044	1.7
130.04987	1.9
136.03961	7.4
139.03938	1.2
142.03227	100.0
159.08398	78.7
160.08736	1.5
161.13306	1.1
162.02208	3.3
170.02715	35.9
170.06242	1.0
180.20029	1.0
193.06133	1.8
199.05330	2.4
202.12546	0.9
211.07129	1.0
227.04848	7.9
245.05910	16.0
268.13644	8.2
327.16006	3.0
371.15573	0.9
385.73285	1.1
392.57275	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	3.3
56.96556	5.4
57.03419	4.7
68.71897	2.9
69.03443	14.3
69.03747	2.9
70.29115	2.9
70.30547	11.1
73.04771	15.4
74.02431	11.7
81.03393	7.2
84.04510	4.8
84.08166	3.8
85.02908	43.8
91.05833	17.8
94.06573	100.0
97.02916	18.7
97.66882	3.0
98.97578	8.5
99.00807	9.7
104.04989	6.8
107.04948	3.4
111.04447	5.0
112.07566	4.9
113.60116	2.8
118.06548	31.0
119.01841	4.6
120.04479	35.9
124.03938	6.7
127.03931	10.6
129.05521	3.9
130.06584	3.3
132.04471	6.6
132.08067	5.1
135.04445	3.1
136.06142	3.9
136.06433	4.2
136.07573	49.5
137.05965	11.3
145.03561	2.9
145.04878	3.9
146.06009	70.0
150.05524	21.0
156.04510	3.1
160.07552	7.3
163.03871	10.2
163.08652	7.5
164.07088	6.0
170.05988	6.2
174.05519	24.8
184.07558	5.7
188.07292	3.5
190.05003	7.2
191.03841	3.4
192.06561	96.1
192.74277	2.9
196.07495	4.3
209.09215	77.0
214.08536	3.4
221.02965	3.8
226.08536	4.0
234.07643	3.2
242.03061	3.3
244.09700	4.2
251.04356	3.4
262.10684	5.1
268.97849	5.1
270.07574	11.3
285.00912	12.4
298.12848	5.4
318.09723	13.0
327.05054	6.6
355.06824	9.6
371.16565	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	370.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	4.2
55.05506	9.7
56.79541	3.9
66.80510	3.6
67.05497	11.7
69.07049	8.5
69.49989	10.4
69.50394	15.0
71.04994	9.8
75.04488	8.2
77.57964	4.0
79.05502	12.5
81.07058	28.7
83.05006	6.6
86.79818	4.6
91.05494	23.4
93.07039	37.5
94.24681	3.8
95.04982	6.8
95.08620	25.6
97.06555	4.5
99.04465	32.5
105.07035	44.8
107.08607	33.6
109.10172	8.7
109.67606	3.5
111.08070	12.2
117.07017	8.1
119.08596	34.7
119.52551	3.6
121.10123	9.9
129.06999	9.7
131.00266	4.1
131.08591	27.3
133.10136	100.0
133.11110	6.8
135.11703	17.5
139.07550	5.0
142.07803	6.3
143.08554	18.6
145.10152	21.5
147.11699	7.3
151.11150	5.2
156.09306	6.1
157.10120	18.3
158.79527	3.8
159.11641	19.1
161.13318	5.3
171.11711	15.6
173.13275	51.4
175.11232	6.7
183.11847	4.3
185.13286	5.6
187.14798	7.7
188.89651	3.6
191.14348	5.2
199.14964	4.3
213.16418	14.2
231.17381	3.9
243.17357	3.9
277.47964	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	370.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06624	0.9
55.01883	1.6
65.95036	0.9
69.03411	1.1
69.07075	10.3
69.18261	8.5
79.05495	6.6
79.98930	0.7
81.07077	0.9
83.04981	0.9
97.06538	42.7
98.21545	1.9
111.04457	0.8
122.09650	0.9
122.19305	0.8
130.74065	0.7
139.03911	40.3
149.96631	0.8
166.08621	1.5
179.03447	1.6
181.68620	1.0
217.08667	0.9
235.09662	100.0
236.10054	1.8
259.09717	1.0
275.09161	1.1
291.12305	2.3
321.09677	3.1
322.62054	1.0
335.11234	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	2.9
53.03944	3.3
57.03442	6.1
58.99593	18.8
59.05001	8.2
67.05492	2.7
69.03426	11.0
70.06586	7.5
71.04996	4.1
71.48825	6.0
72.08166	3.9
73.04759	3.6
79.05493	13.8
81.03419	6.6
81.07061	5.5
83.04985	4.2
84.08183	3.1
85.02911	12.9
86.99062	13.8
87.00800	3.6
88.02236	4.2
91.05458	27.9
93.07056	19.3
94.06572	4.0
95.04967	5.1
97.02908	4.5
98.97633	3.4
99.02697	4.0
99.04482	3.1
103.07629	4.4
105.07049	22.0
107.04991	4.9
107.08604	7.6
109.02832	4.1
115.05449	3.7
115.07578	6.0
116.01689	45.4
116.08582	2.7
117.06990	16.5
118.06558	4.0
119.08589	12.1
120.04468	6.0
121.06492	9.4
121.10130	5.7
122.06074	3.8
124.07566	4.7
127.03911	5.1
129.07005	9.5
130.07799	8.1
131.08583	100.0
132.08069	6.1
135.08035	2.9
136.07614	6.3
137.06000	12.6
139.07579	4.9
143.08563	9.5
144.01172	22.7
145.09056	5.3
145.10149	68.2
145.11296	3.7
146.06035	9.3
147.08093	2.9
149.06039	5.3
149.09598	9.0
160.07622	3.6
162.02225	38.3
163.05830	5.1
163.07512	3.0
163.11201	9.0
164.07001	3.5
173.09595	7.1
184.22043	3.0
188.06998	3.1
191.10666	35.2
191.12720	4.3
208.09787	6.5
214.08830	2.9
241.08954	17.2
281.23141	2.9
370.12582	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	370.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	5.1
55.05505	5.3
55.81543	4.4
60.95867	5.8
65.53261	5.3
67.05500	18.8
69.07076	6.5
70.62154	17.1
71.04979	6.7
71.30486	4.8
75.04491	25.8
79.05491	14.6
81.07061	37.8
91.05482	19.2
93.07050	41.8
95.04971	10.1
95.08604	51.7
97.30797	4.6
105.07039	100.0
107.08596	46.2
109.10146	16.8
109.23495	5.4
117.07031	6.3
119.08617	29.3
121.06507	5.6
121.10133	11.2
125.09624	7.8
129.07034	6.5
131.08578	9.2
133.10144	13.8
136.08824	7.3
137.09622	5.7
137.13208	5.1
141.06871	7.5
142.07806	8.9
143.08585	18.8
145.10136	17.7
147.11719	10.8
149.13152	9.0
155.08438	6.7
156.09328	5.8
157.10117	37.7
159.11713	17.5
163.15048	6.0
171.11681	17.6
173.13261	12.3
181.43648	5.1
187.14868	7.2
198.20261	4.9
199.14813	12.1
213.16417	12.8
217.15907	6.4
233.53061	5.7
243.17453	8.0
258.32721	5.2
339.99652	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	370.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.3
55.05273	0.4
55.05512	4.6
56.05034	4.2
57.03420	0.4
69.00912	0.7
69.03413	0.2
69.69308	1.3
69.99304	2.7
70.06594	0.5
71.04986	0.5
72.08151	1.1
73.06541	0.8
73.70786	0.2
79.05511	0.3
84.04495	0.3
84.08149	2.6
86.09695	0.5
87.01952	6.0
94.47160	0.2
98.06052	5.9
99.01935	0.6
99.04451	1.4
106.06551	3.6
115.08683	0.9
127.08672	9.3
128.94624	0.2
131.06062	2.3
139.79697	0.2
141.06586	100.0
142.06918	0.8
148.11243	0.5
152.07054	0.5
157.13367	3.3
169.13365	5.0
169.14752	0.4
196.64491	0.2
213.03296	0.6
246.12387	4.8
248.09261	0.3
255.07976	0.4
288.17047	8.1
289.17328	0.3
316.27557	0.2
328.09647	0.7
370.14310	11.2
371.14133	0.3
392.44720	0.2
394.47797	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.8
67.05485	2.3
69.07069	31.2
70.23901	5.2
78.68206	1.2
79.05505	4.3
83.04980	2.2
96.87786	1.4
97.06531	21.7
98.26355	1.1
101.23201	1.7
103.77048	1.3
111.04459	3.1
136.07686	1.2
139.03908	100.0
140.04219	1.5
142.50565	1.3
151.03938	2.3
175.03908	1.9
179.03416	5.3
180.65569	1.2
205.01543	1.4
217.05000	6.0
217.08583	4.5
231.06105	1.3
235.09653	71.6
236.09955	2.0
259.09625	3.9
291.12259	8.1
315.99274	1.2
335.11258	20.6
360.16711	1.4
366.42993	1.2
370.23938	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	9.6
55.01873	3.6
56.87381	1.5
57.03438	2.7
59.35118	1.5
60.80600	1.5
67.05508	9.5
68.99780	4.5
69.03089	2.6
69.03435	32.0
69.68814	6.7
71.05003	1.9
79.05495	2.5
81.03422	38.2
85.02908	30.0
87.00826	10.6
94.06535	3.0
95.04966	7.0
97.02906	4.6
103.03928	2.0
108.08139	1.8
109.02905	17.5
112.07594	1.6
122.06027	7.2
122.09696	2.6
124.07555	2.5
127.03915	10.7
140.07072	15.6
150.09164	3.5
152.07069	100.0
156.57175	1.7
164.10786	1.8
171.02849	3.7
174.09109	1.8
178.08565	7.9
182.08061	2.3
189.03981	5.0
191.07175	1.5
192.10187	11.6
199.46292	1.5
202.08682	3.0
206.08142	7.3
220.09691	18.2
235.09520	1.8
236.09325	1.7
248.09192	72.3
249.09732	1.8
252.56818	1.7
260.30243	1.9
334.09213	4.9
360.61273	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.7
57.07074	1.5
57.36050	0.9
67.05495	2.3
70.06582	1.1
70.53024	3.0
71.04994	1.1
71.08641	1.0
78.92028	0.9
79.05480	1.7
81.07063	2.1
85.06569	1.0
91.05476	2.3
93.07081	2.2
95.04977	2.3
95.08611	2.3
97.06526	1.9
99.08089	1.2
105.07030	3.7
107.08594	2.3
109.06554	1.2
109.10139	1.6
113.05997	1.0
115.08723	1.7
119.08582	2.5
121.06538	1.2
121.10137	1.2
123.08140	1.0
129.06995	1.4
131.08603	2.5
133.10179	1.2
143.08546	1.4
145.10135	3.5
146.71518	1.1
147.11716	1.4
159.11691	1.4
161.09641	1.4
165.74261	1.0
169.10130	1.4
171.11757	1.2
189.12827	2.3
251.14256	1.0
313.21909	1.0
369.26187	100.0
369.31317	4.5
370.26633	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2788
Annotation	Chemanox 22
Peak:m/z	Relative Intensity
50.94606	0.2
52.52902	0.2
53.03929	0.3
55.01850	0.2
55.05506	2.7
57.06838	0.2
57.07078	2.8
60.08146	0.3
65.03930	0.4
67.05504	3.5
69.03419	0.7
69.07068	8.6
70.82693	0.5
70.83032	0.2
71.08629	0.3
79.05492	3.9
81.07052	11.9
83.08620	2.5
91.05484	3.2
93.07042	4.4
95.04951	0.5
95.08607	13.5
97.06527	1.6
97.10181	1.0
102.87655	0.2
105.07034	5.1
107.07887	0.5
107.08593	6.7
109.06503	1.0
109.09476	0.2
109.10155	5.2
111.08096	1.8
111.71536	0.2
114.62003	0.2
115.05431	0.4
117.07021	0.9
119.06017	0.2
119.08582	5.4
121.06509	0.9
121.10143	5.2
123.08053	1.4
123.11706	3.5
123.12568	0.3
125.05981	0.5
125.09617	0.3
125.13264	1.4
128.06210	1.2
129.07019	1.4
130.07835	0.3
131.08543	1.7
132.14238	0.2
133.06453	0.3
133.10133	6.1
135.08060	2.5
135.11673	2.9
137.09604	0.8
137.13254	5.7
139.07510	1.2
141.06969	0.8
142.07787	2.7
143.08560	4.0
144.09320	0.6
145.06488	0.3
145.09059	0.3
145.10127	3.2
146.07236	0.3
147.08015	1.3
147.11678	2.9
148.08772	0.2
149.05954	0.2
149.09622	2.4
149.12236	0.2
149.13277	1.3
151.07565	0.2
151.11151	0.4
151.14799	0.2
155.08546	1.8
156.09367	2.0
157.10120	6.4
158.10938	0.6
159.08031	0.8
159.11681	2.6
160.08841	0.5
161.09613	3.2
161.13248	1.5
163.07541	12.1
163.11157	0.5
163.14836	1.0
164.08311	0.8
165.09125	2.0
167.08647	0.2
169.10129	0.6
170.10892	4.1
171.11687	1.9
173.09662	1.2
173.13242	1.6
175.07657	0.4
175.11168	3.2
175.14818	2.3
177.09123	2.1
177.12701	0.5
177.16399	0.8
179.10715	0.3
183.11688	0.6
184.12482	0.5
185.09703	0.3
185.13249	5.5
187.11143	0.7
187.14796	2.4
188.11949	0.4
189.09024	0.2
189.12703	1.3
189.16368	0.7
191.10712	0.3
191.14328	0.6
191.17947	4.3
195.11670	0.2
197.13318	0.3
198.10367	0.3
199.14784	2.2
201.12694	0.5
201.16388	0.8
203.14310	4.3
205.15837	1.0
205.19490	0.3
209.13235	0.5
211.14862	0.6
212.27264	0.2
213.12749	0.8
213.16327	0.5
215.14322	0.7
215.17958	0.2
217.12262	0.6
217.15884	0.9
217.19597	0.3
218.13040	0.4
219.13866	1.3
227.14294	0.7
227.18031	0.6
229.19478	0.3
231.13799	6.5
233.15350	2.5
239.18071	0.4
241.19441	0.7
243.17419	0.2
245.15317	2.0
245.19104	0.3
247.16898	0.2
251.63664	0.2
253.19189	0.2
271.20654	0.2
287.20120	0.3
288.37006	0.3
313.81686	0.3
317.25964	0.3
323.27216	1.3
327.26791	0.2
341.28412	0.5
351.26617	1.1
369.27869	100.0
370.28198	2.9
371.46832	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2426
Annotation	5-Methyl-3-farnesyl-3-hydroxycoumarane
Peak:m/z	Relative Intensity
55.05504	23.1
56.74371	7.2
57.07075	14.9
61.36434	7.3
65.03918	11.8
67.05512	54.0
69.07049	31.5
79.05477	32.6
81.03391	7.6
81.07062	50.8
83.04986	10.0
83.08609	19.0
91.05476	45.1
93.07032	44.2
95.04968	28.8
95.08617	73.7
97.06532	15.6
105.07025	84.2
107.04917	10.3
107.08610	55.9
109.06510	16.9
109.10173	42.2
111.08092	34.5
115.05516	7.2
115.08693	14.4
117.07024	22.7
119.08600	100.0
121.06490	10.4
121.10166	55.1
123.08063	13.7
123.11719	8.0
128.06241	11.4
129.07021	13.4
130.07797	8.7
131.08572	47.0
133.10136	56.1
135.08046	23.5
135.11687	20.1
137.05994	64.6
139.07465	8.6
141.06938	8.2
142.07779	12.4
143.08595	33.8
144.09363	10.6
145.10141	57.1
147.08121	18.0
147.11678	19.4
149.09595	21.9
155.08537	10.8
156.09407	12.7
157.10103	34.5
158.10876	9.6
159.08052	25.4
159.11737	51.2
161.09695	11.1
161.87502	6.9
165.06990	8.0
168.09355	11.5
169.10069	12.7
170.10899	16.4
171.11688	35.2
173.09642	9.2
173.13251	27.6
175.11186	9.2
175.14819	26.8
177.09016	8.4
179.08525	11.3
181.10144	16.3
183.11708	27.8
185.13281	25.9
187.11165	10.9
187.14819	17.7
194.10934	9.0
195.11711	15.4
197.13246	22.5
199.11105	8.3
199.14833	10.3
201.12845	9.7
209.13249	18.7
211.11142	16.3
211.14774	14.5
213.16103	12.9
217.15884	10.6
239.14223	8.0
239.17754	10.1
252.18921	11.0
265.19470	12.2
269.15204	8.5
283.20697	10.8
285.10117	12.8
351.23111	20.7
367.38205	7.5
369.24118	56.0
369.28070	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	368.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.3
55.05511	4.1
56.05038	6.0
57.03426	0.5
67.05496	0.4
69.00909	0.6
69.99310	2.5
70.06594	0.3
71.04990	0.5
72.08137	0.2
73.06562	0.8
82.06574	0.2
84.04499	0.4
84.08146	4.1
84.44137	0.2
86.09702	0.6
87.01954	5.8
97.07697	0.2
98.06061	6.5
99.01945	0.4
99.04451	1.2
104.04981	0.7
105.05780	2.1
106.06561	5.0
107.96151	0.2
108.47674	0.1
115.08691	0.5
127.08683	14.7
131.06024	0.3
132.97325	0.2
141.06589	100.0
142.06999	1.0
148.11266	0.4
154.67024	0.2
157.13354	2.0
169.13376	7.5
246.12405	7.7
247.12694	0.3
253.10190	0.3
260.78983	0.2
288.17075	14.1
289.17490	0.3
368.16397	16.1
369.16653	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.4
53.03942	1.2
55.05515	2.9
58.06602	13.8
62.99081	1.6
63.78719	0.2
65.00648	0.4
67.05506	0.4
70.39812	0.7
70.40202	0.4
71.04993	5.0
72.05769	0.5
73.04038	3.4
73.06557	2.8
77.03912	0.6
78.04727	0.4
78.98129	0.2
79.05495	3.7
81.07047	0.3
82.38003	0.2
85.07662	0.6
86.06055	0.4
91.05475	0.3
93.07064	0.4
95.04973	1.0
97.02893	0.8
97.06461	0.3
105.04516	0.6
106.06559	100.0
107.06902	1.1
108.08150	0.3
110.02311	0.3
115.08684	1.4
120.04463	1.1
127.03920	0.3
127.08678	0.3
134.06023	7.9
135.04759	15.7
141.06619	1.1
149.07126	0.5
152.07462	1.1
153.05779	0.3
157.83118	0.2
159.63525	0.3
163.05064	0.3
164.07408	12.6
178.05348	3.0
182.84526	0.3
191.11771	1.6
192.07686	5.4
209.80748	0.2
219.11702	0.8
225.49355	0.2
234.12384	15.5
235.12621	0.5
244.34303	0.3
286.08371	0.3
326.11792	0.7
350.23175	0.5
368.16412	6.0
368.24124	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22671	0.6
50.83601	0.6
52.44437	0.6
55.93530	0.8
56.96568	100.0
61.72409	0.6
70.06602	0.6
71.48102	1.3
71.95280	2.1
72.96057	4.5
73.02908	0.5
73.14842	0.6
74.97616	1.0
79.05479	0.9
83.97630	4.0
84.96073	0.9
86.05965	0.6
88.21681	0.6
90.63418	0.5
91.05503	0.8
97.02874	0.8
98.97604	1.3
100.99159	0.8
107.04989	0.8
110.97587	0.9
120.08115	1.7
123.04454	1.3
128.98639	1.1
135.04454	1.4
137.05960	0.9
139.00729	0.6
143.15642	0.6
144.96867	1.6
144.98022	0.8
145.88297	0.6
146.99666	1.4
149.02753	1.4
160.99063	0.8
162.99194	0.7
163.00687	1.3
163.03886	3.6
165.02295	2.5
167.02353	0.6
167.03830	1.3
169.01749	1.0
176.03856	12.9
177.02174	0.8
178.05411	8.6
178.98860	0.6
179.00220	2.7
181.01770	2.1
183.03290	7.1
186.02257	1.0
190.01842	1.4
190.98688	1.3
192.03346	2.8
194.04918	6.5
194.97522	0.7
195.03384	0.7
196.06502	6.2
197.01198	4.2
201.04361	5.1
203.00241	1.0
204.03320	8.1
204.05147	0.7
208.02834	7.9
208.99644	0.7
210.04456	2.3
211.02849	0.7
215.02377	0.9
221.01283	2.7
222.04385	62.0
223.01413	0.9
223.04750	1.2
225.00896	0.7
226.03831	5.1
238.01614	0.9
239.02304	5.9
240.05444	50.7
241.05827	0.8
245.06003	2.0
253.03909	4.0
257.03354	4.2
263.07220	0.8
271.04904	6.5
310.04831	0.7
324.09128	1.4
351.03543	0.7
351.10199	5.5
369.11252	52.3
370.10416	1.1
387.12369	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	367.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.6
55.05512	20.2
57.03150	2.5
57.03432	5.2
57.07068	6.7
64.60797	2.3
65.03919	5.5
67.05191	2.9
67.05513	38.9
69.03421	6.2
69.07075	18.9
71.04979	7.8
71.22259	3.6
79.05504	36.9
79.90316	2.4
80.42751	2.8
81.03423	6.3
81.06609	2.5
81.07063	46.9
83.04996	4.0
83.08614	9.9
85.06551	5.1
86.90524	2.5
91.05489	57.7
93.06490	5.1
93.07050	76.8
95.04974	34.0
95.08612	52.8
97.06521	12.0
103.05465	6.0
105.04538	3.0
105.06326	3.7
105.07034	73.5
107.08592	55.8
109.06516	12.0
109.10160	33.4
110.20743	2.6
111.08037	3.9
115.05451	8.1
117.07045	18.6
119.06108	3.6
119.08585	100.0
121.06497	10.0
121.10147	38.6
123.08044	6.2
123.11732	13.2
125.16225	2.8
128.06207	10.1
129.06995	16.8
130.07787	11.1
131.08574	55.4
133.06548	3.8
133.10132	52.8
135.08037	13.0
135.11684	16.0
137.09601	6.6
141.07007	9.0
142.07782	21.5
143.08569	39.5
144.09352	9.8
145.06487	4.7
145.10126	55.8
146.07262	7.6
147.08040	9.6
147.11694	19.2
149.09624	12.9
149.13220	5.2
154.07726	4.1
155.08546	11.4
156.09366	15.8
156.19514	2.6
157.10144	45.9
158.10966	6.0
159.08035	3.7
159.11690	33.3
161.09633	37.2
161.13217	7.7
163.11172	7.9
165.07005	4.1
167.08597	6.8
168.09344	5.7
169.10129	15.9
170.10904	6.5
171.11690	27.5
173.09590	5.3
173.13303	23.4
175.11194	7.9
175.14784	13.5
179.08554	7.0
180.09302	3.9
181.10126	9.2
182.10866	5.6
183.11661	21.8
184.12531	4.9
185.13167	13.2
187.11372	3.0
187.14861	14.5
189.12852	2.7
189.19498	3.0
193.10103	7.1
193.11951	3.1
194.10904	7.8
195.11745	13.4
196.12355	3.1
197.13255	14.7
199.14822	12.3
200.15637	3.3
201.12796	4.7
201.16333	9.2
205.15796	3.2
207.11635	5.0
209.13254	19.7
211.14796	9.9
213.12746	5.4
213.16360	6.4
217.10223	2.9
223.14832	5.7
225.12764	3.2
225.16347	5.9
227.14392	15.3
237.16357	4.2
239.17972	7.5
249.25746	3.0
255.17320	4.8
257.18921	3.7
265.19516	3.2
267.17505	3.4
271.20322	3.3
283.20438	3.2
305.11975	6.3
349.25504	9.5
353.84851	2.9
367.26416	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77364	2.6
55.05513	17.6
57.07069	7.7
59.05013	3.3
67.05502	34.5
69.07071	40.1
71.08610	5.3
71.49635	4.4
79.05495	21.9
81.06596	4.5
81.07061	85.8
83.08616	14.1
91.05488	27.8
93.07048	47.8
95.04987	4.0
95.08613	87.4
97.10170	10.7
104.37933	2.7
105.07043	53.5
107.08597	54.6
109.09464	4.6
109.10158	44.5
109.10849	4.1
110.22256	3.1
111.11712	3.2
117.07059	2.3
119.08591	45.7
119.09400	4.7
121.10149	44.7
123.11718	20.1
131.08600	7.1
133.10118	29.4
135.11710	39.4
137.13292	13.2
145.10118	11.8
147.11717	23.2
149.13260	37.1
157.10182	3.4
159.11743	13.5
161.13263	100.0
163.14832	85.4
173.13289	11.3
175.14815	36.9
177.16351	8.5
185.13300	3.1
187.14848	7.8
189.08131	3.1
189.16403	11.0
191.17975	16.0
201.16470	4.2
203.17924	7.8
205.19569	2.5
215.17970	6.7
217.19536	10.8
229.19585	11.3
231.21031	7.6
243.20998	12.2
257.22791	6.2
259.10196	3.0
259.24203	4.3
271.24243	4.3
285.25702	5.4
292.64383	2.9
367.29709	7.4
367.33640	88.6
368.34100	3.3
368.42789	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	367.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.7
55.01869	3.2
55.05511	24.9
57.07080	11.5
65.03963	3.5
67.05182	3.4
67.05512	41.8
69.03419	10.8
69.07069	22.0
69.74435	4.6
69.74842	10.7
71.04984	6.8
79.05499	39.3
81.07061	52.8
83.04970	6.9
83.08622	10.9
85.06553	5.0
91.05486	57.9
93.07051	75.9
95.04974	28.4
95.08611	58.3
97.06544	14.6
103.05434	4.3
105.07037	95.4
107.08596	66.6
109.06500	16.7
109.10167	40.7
111.08099	4.7
115.05466	7.7
116.06237	3.6
117.07024	25.0
119.08590	100.0
121.06483	11.4
121.10150	48.2
123.08086	6.0
123.11687	15.3
128.06212	12.4
129.07014	18.8
130.07780	9.7
131.08580	56.8
133.10143	59.6
135.08054	19.4
135.11700	19.5
137.09613	8.1
141.07057	7.2
142.07796	23.4
143.08569	35.0
144.09308	12.6
145.10133	63.8
145.11279	3.5
146.07277	8.0
146.10663	2.3
147.08070	10.8
147.11719	21.6
149.09593	13.7
149.13257	7.5
153.07005	2.5
155.08595	12.9
156.09351	14.4
157.10138	50.9
158.10872	4.3
159.08049	6.0
159.11687	38.0
160.12395	3.9
161.09639	42.6
161.13301	10.7
163.11136	5.1
166.07744	2.4
167.08559	8.7
168.09335	4.5
169.10146	21.7
170.10934	6.5
171.11714	28.6
171.81943	2.5
172.12459	5.7
173.09619	10.6
173.13271	25.0
175.11194	10.7
175.14804	21.3
179.08569	10.3
180.09453	2.3
181.10118	12.3
182.10947	5.7
183.11693	30.2
184.12462	4.8
185.09602	5.5
185.13293	18.1
187.11194	2.9
187.14807	18.3
189.12610	3.0
191.14209	2.5
194.10928	7.5
195.11723	15.0
196.12457	6.9
197.13286	18.7
199.11243	4.1
199.14856	10.4
201.12733	7.5
201.16411	4.2
207.11751	5.5
209.13275	22.6
210.13971	2.9
211.14876	9.0
213.12852	5.5
213.16356	3.9
215.14307	3.6
219.11703	2.5
221.13379	2.9
223.14819	7.4
225.16412	4.4
227.14351	16.5
229.15993	2.5
237.16364	3.3
239.18013	8.4
241.19586	2.8
247.14861	3.3
249.16246	4.5
251.17957	3.9
253.19316	2.5
255.17549	3.7
257.19098	4.7
265.19479	5.1
267.17511	5.8
293.19089	3.8
341.08136	2.8
349.25333	12.2
367.26193	14.4
373.22781	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.3
55.01870	4.2
55.05507	2.9
57.03434	6.6
59.05005	15.9
59.14695	0.9
65.03928	1.4
67.05505	2.4
68.99802	2.7
69.03423	1.3
69.07086	1.6
70.84595	2.6
71.04999	2.3
79.05493	7.6
81.03416	0.9
81.07066	3.8
84.20345	0.9
89.03917	2.0
91.05492	5.3
93.07043	1.8
95.04967	2.9
95.08622	2.2
97.06538	9.5
98.06873	1.4
105.07050	2.3
107.01300	1.1
107.04949	4.2
109.02883	3.7
111.08088	2.0
117.03374	3.4
117.05586	1.0
117.09144	2.7
121.02856	3.2
121.06529	2.4
123.04435	2.4
129.06981	1.6
131.08530	1.0
133.02858	1.8
133.06491	1.8
133.10097	0.9
135.04411	10.3
135.08038	2.1
137.02341	2.0
137.05991	4.0
138.06369	1.5
139.03937	5.2
145.02846	2.7
145.06506	1.3
146.05975	1.4
147.04413	3.8
147.08069	1.2
147.11720	1.1
149.02350	11.8
149.05983	17.4
151.03902	35.4
151.07610	1.0
153.05444	2.8
159.08089	1.1
161.05988	3.9
163.03909	26.4
163.07552	11.2
163.11111	1.0
164.07033	2.0
175.03937	10.3
175.07518	1.2
176.04747	1.5
176.10678	1.9
177.01848	16.8
177.05478	23.6
177.07182	2.0
177.08928	1.2
177.11072	4.1
178.07582	1.3
178.11382	1.8
179.00911	1.0
179.03409	15.7
179.07867	1.2
179.11836	1.2
188.07057	3.5
189.05511	1.1
189.09013	1.8
191.03398	32.2
191.07025	26.4
191.08784	1.1
192.07300	1.3
193.05089	1.1
195.02863	5.5
201.05663	1.6
203.03427	12.3
203.07014	3.7
203.08685	1.2
204.04190	1.0
205.01337	24.3
205.04655	1.3
205.08601	3.8
206.11319	1.6
207.06543	2.6
207.11543	2.1
209.08054	2.9
217.01270	7.2
217.08548	4.7
221.04443	2.0
223.02406	6.5
223.05977	4.9
231.06532	5.1
233.08084	26.2
235.06073	4.3
235.09697	4.2
237.04135	1.9
247.09572	1.0
249.04007	9.3
249.11212	19.2
253.07176	1.8
259.06018	3.1
259.09534	1.3
265.10757	15.2
276.14572	1.0
277.07101	6.6
280.66830	0.9
291.08609	8.7
291.11835	2.0
303.17877	6.5
304.18213	4.6
305.18433	13.4
309.09680	100.0
320.85129	1.0
335.11264	2.1
349.13107	1.2
349.20886	4.3
367.21985	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	367.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.8
55.01866	6.1
55.05501	2.6
57.03424	5.8
60.49572	1.4
60.68256	1.2
67.01842	1.4
68.99788	3.2
69.03439	1.4
69.07037	1.4
69.77641	1.2
69.86116	3.8
69.86517	2.5
71.04972	3.0
79.05499	23.7
81.03395	1.6
81.07043	5.8
85.94865	1.5
89.03918	8.0
91.05471	3.2
93.07034	2.8
95.04935	3.1
97.06511	3.8
105.07021	2.9
107.04934	4.3
109.02904	2.3
111.08055	2.0
117.03403	11.3
118.06538	2.0
119.08582	2.3
121.02847	2.9
121.06530	1.4
123.04414	4.0
133.02783	1.8
133.06505	3.0
135.04425	27.3
136.16290	1.2
137.06012	2.8
139.03906	20.8
145.02850	12.2
146.06010	6.4
147.04381	3.2
149.02347	12.3
149.06006	12.6
151.03911	32.8
159.09195	4.0
161.05930	6.5
163.03917	100.0
163.07500	10.3
171.08037	1.5
175.03946	7.9
175.07570	3.7
176.04747	1.8
177.01875	17.0
177.05461	20.5
179.03432	17.5
186.77083	1.5
188.07123	12.7
189.05464	1.7
189.09033	1.7
190.51840	1.4
191.03424	30.6
191.07037	26.1
195.02908	3.7
199.07585	1.8
203.03406	9.5
203.07108	1.6
205.01344	21.9
205.08315	2.2
205.09886	4.8
206.11238	1.9
207.06583	2.8
209.08107	2.1
215.06900	1.6
217.01315	4.9
217.08606	17.8
223.02356	3.4
223.06027	4.6
231.06587	6.8
233.08069	18.6
234.12166	1.6
235.02403	1.5
235.06021	2.8
235.09732	8.7
237.03986	2.7
249.04083	7.4
249.11232	68.2
253.06921	2.2
259.06076	3.6
259.09702	5.4
265.10693	13.6
272.88745	1.5
277.07043	6.8
285.07379	2.2
291.09161	7.3
291.12006	8.2
303.18164	2.3
305.10126	1.5
305.18771	5.1
309.09692	82.4
317.10226	3.1
324.92947	1.4
335.11246	6.1
367.22015	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	367.129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.3
55.01877	0.4
55.05498	0.3
59.05017	1.5
70.80807	0.3
71.22164	0.5
79.05506	2.0
81.07043	0.6
89.03917	7.7
90.41695	0.3
91.05470	0.7
97.06524	1.1
100.11259	0.3
105.03310	0.3
107.04945	2.4
117.03381	13.0
117.05547	0.4
117.09119	0.5
118.06543	2.1
119.04938	0.3
130.06540	0.8
132.08073	1.0
135.04417	22.2
139.03896	0.7
144.08092	1.3
145.02846	14.9
145.03662	0.5
146.04845	0.4
146.06013	6.7
147.04437	0.3
149.02333	1.1
149.05988	1.1
151.03932	1.7
159.09193	4.5
161.06010	0.4
163.03905	100.0
164.04257	1.5
170.06017	0.7
175.03903	0.6
175.07497	0.4
176.10733	0.4
177.01830	1.3
177.05478	1.6
177.07086	0.3
177.11021	0.4
178.07579	0.3
179.03418	1.0
181.94490	0.3
185.07109	0.5
188.07068	16.0
189.05363	0.3
191.03380	2.4
191.07051	2.3
203.03377	0.7
205.01350	1.8
205.09749	8.1
217.01250	0.6
223.05969	0.4
231.06520	0.4
233.08110	1.9
235.06012	0.5
235.09688	1.0
237.03967	0.3
249.03790	0.3
249.11182	0.8
259.05933	0.6
265.10660	0.8
265.13593	0.3
291.08661	0.7
303.17874	0.6
305.18417	2.0
309.09708	6.9
349.21042	0.9
367.13394	0.3
367.21814	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.6
59.04994	2.1
61.28137	0.6
70.77962	1.0
70.78302	0.8
79.05499	3.1
89.03432	0.7
89.03933	9.4
93.07082	0.6
97.06529	1.4
107.04969	2.6
117.03391	11.2
117.09124	0.6
118.06532	1.5
132.08115	1.3
135.04430	19.7
144.08121	1.9
145.02869	14.2
145.03998	0.8
146.06029	7.0
151.03894	1.9
159.09184	3.1
163.03923	100.0
164.04242	1.1
170.06053	0.7
175.03870	1.0
177.05469	1.2
179.03477	0.8
188.07066	17.3
191.03387	1.7
191.07108	1.4
205.01260	1.4
205.09785	8.2
220.61871	0.7
221.52394	0.8
233.08171	1.2
249.11238	1.3
259.06168	0.7
291.08646	1.0
303.18036	0.7
305.18439	2.9
309.09644	5.6
367.21988	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.4
55.05521	18.8
57.03447	6.0
65.03918	4.3
65.40855	3.8
67.05518	30.3
69.03423	9.5
69.07072	18.3
69.76903	18.9
79.05505	24.9
81.07059	32.4
82.17114	4.0
83.04982	8.2
83.08614	8.3
84.12826	3.4
85.06547	5.2
91.05486	29.9
93.07053	34.1
95.04990	42.2
95.08611	29.3
97.06499	8.1
97.10152	5.1
105.07046	45.5
107.08612	31.2
109.06512	7.3
109.10163	16.8
111.08043	4.0
117.07011	14.7
118.67019	3.9
119.08591	49.9
121.06515	4.4
121.10135	31.0
123.08109	4.6
128.06253	10.7
129.07028	15.9
130.07735	5.2
130.93892	3.8
131.08580	21.7
133.10129	22.5
135.08075	11.2
135.11745	6.2
137.09624	7.9
141.06953	8.0
142.07790	10.2
143.08560	28.5
145.10114	23.6
147.08057	13.0
147.11697	9.2
151.11122	5.8
153.07051	4.8
155.08585	16.4
156.09343	15.7
157.10124	30.9
159.08060	7.7
159.11710	16.7
167.08539	8.5
168.09279	4.6
169.06396	3.7
169.10132	19.8
170.10901	7.5
171.11699	27.1
173.09645	6.5
173.13292	16.4
175.11169	5.4
175.14845	4.0
177.12851	5.0
178.05006	8.8
179.08578	8.7
180.09328	6.1
181.10136	14.4
182.10953	6.7
183.11731	21.0
185.04172	5.1
185.13268	11.7
188.06964	4.1
189.12755	4.2
191.08572	4.5
191.14348	7.4
192.09378	5.9
193.10159	15.2
194.10907	11.0
194.60855	3.8
195.11725	18.6
196.12500	7.7
197.13261	12.3
199.11165	6.7
199.14798	9.7
203.05258	8.0
206.10956	6.9
207.11729	20.2
208.12505	12.7
209.13290	17.1
211.14917	4.9
218.99503	3.8
219.11624	5.5
220.12416	7.7
221.13309	15.3
222.13904	4.3
223.14993	8.0
225.12755	10.4
225.16389	6.3
227.14268	5.8
231.11697	4.8
233.13260	10.8
234.13919	7.6
235.14835	11.4
237.16483	9.6
239.14410	4.8
239.17950	5.2
247.14862	9.2
249.16389	14.9
253.15860	7.2
258.14056	7.7
259.15070	5.3
263.17978	12.1
265.15833	5.1
267.17386	7.7
273.16299	5.2
276.41901	3.9
277.15903	7.0
277.19547	4.5
281.19040	9.1
291.17136	6.8
291.19879	8.5
303.17856	9.1
309.18698	4.8
329.22528	4.1
335.87195	3.8
337.25250	7.9
347.23630	29.3
365.10822	12.5
365.14893	4.4
365.24768	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	6.3
55.05520	21.1
56.55344	3.4
57.07068	5.2
59.04986	6.6
61.02907	4.3
65.03926	4.1
67.05500	33.7
67.64568	3.7
69.03414	6.3
69.07066	14.4
69.21989	3.3
69.64664	18.4
71.04993	4.2
72.93818	4.0
74.19090	3.6
79.05496	30.1
81.03415	4.3
81.07066	32.4
83.04963	5.2
83.08616	9.9
91.05476	36.6
93.07042	42.2
95.04958	28.0
95.08596	33.6
96.69300	3.4
97.06515	7.7
105.07032	58.6
107.08601	27.6
109.06501	7.3
109.10135	26.0
112.89169	3.6
115.05423	5.6
115.64669	4.1
117.06990	17.1
119.08574	55.0
121.06512	5.0
121.10129	38.4
123.08067	8.9
125.08761	3.7
128.06186	8.3
129.06998	14.9
130.07816	4.7
131.08554	33.4
133.10126	20.2
135.08063	10.4
135.11646	8.0
137.09637	5.1
138.81465	3.7
141.07008	6.1
142.07774	14.6
143.08591	26.1
144.09286	4.1
145.10123	29.0
147.08055	6.2
147.11699	12.5
149.09619	9.6
149.13327	4.3
151.07574	4.3
153.06955	5.7
153.82661	3.7
155.08545	12.4
156.09364	12.5
157.10107	38.5
158.10934	8.6
159.08060	8.3
159.11713	15.5
161.09628	11.8
161.13292	8.5
163.11172	5.6
164.73625	4.0
165.07037	9.2
166.07796	4.5
167.08495	4.3
168.09389	4.3
169.10155	25.0
170.11015	8.5
171.11707	16.0
173.09645	9.9
173.13252	42.1
175.11244	6.0
175.14835	5.9
179.08563	7.4
181.10112	15.9
182.10960	4.8
183.11685	23.1
184.12509	4.4
185.09669	6.2
185.13251	9.7
186.96950	4.1
187.11232	8.3
191.14279	19.4
192.09367	7.1
193.10153	11.3
194.11003	4.7
195.11667	21.5
196.12494	7.3
197.13278	11.5
199.11183	4.6
199.14853	7.6
201.12764	12.6
203.05264	4.4
203.14363	5.7
205.10156	3.9
206.10854	4.9
207.11710	18.9
208.12523	5.9
209.13304	20.5
211.11343	4.2
211.14775	9.1
213.12773	4.2
217.09918	3.9
218.11009	5.4
219.11769	4.7
220.12529	6.9
221.13295	16.6
222.13982	4.9
223.14844	12.3
225.12775	7.4
225.16399	5.1
227.14261	4.1
229.15950	7.0
233.13278	8.7
234.14034	5.6
235.14850	5.1
237.16357	6.9
241.15814	5.7
243.11737	5.2
245.13268	7.2
247.14822	6.1
249.16389	11.5
251.18059	5.7
255.17314	5.7
263.14920	4.4
263.17984	14.0
264.18701	5.2
265.15906	5.9
267.17520	6.9
281.19113	4.0
287.17935	4.7
297.18439	7.2
303.17691	7.3
309.02505	4.5
347.23776	23.1
365.24771	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.3
55.05507	26.1
59.04998	4.7
62.35419	3.9
63.65836	4.0
67.05504	30.2
69.03410	12.5
69.07054	19.1
71.49131	5.2
79.05495	25.6
81.07050	30.6
83.04987	7.1
83.08637	5.4
84.84934	4.2
85.06545	6.3
91.05488	41.9
93.07056	38.0
95.04964	32.4
95.08630	21.2
97.06538	8.2
97.91444	3.8
100.18223	4.5
103.05463	4.8
105.07031	54.4
107.08604	32.8
109.06516	8.4
109.10156	18.7
117.06998	17.5
119.08603	40.0
121.06481	6.8
121.10133	31.9
123.08080	6.9
123.11632	4.5
128.06250	10.9
129.07025	17.3
130.07852	6.4
131.08566	38.2
133.10143	32.6
135.08041	9.8
135.11681	6.9
142.07777	11.5
143.08571	28.1
145.10143	35.1
147.08116	6.8
147.11691	12.7
149.09595	12.9
153.06973	4.6
154.07664	4.6
155.08556	20.3
156.09328	8.9
157.10161	27.4
158.10918	5.5
159.11681	18.1
161.09607	12.4
165.07033	9.2
167.08560	5.1
167.10693	8.5
168.09277	7.0
169.10152	23.3
170.40697	5.6
171.11717	19.8
173.09604	4.7
173.13268	22.8
175.11224	7.3
179.08607	10.3
181.10088	14.3
182.10959	10.9
183.11711	23.4
185.04179	6.8
185.13248	12.2
187.11133	9.2
187.14870	6.2
191.14319	11.1
193.10159	9.2
194.10843	10.1
195.11676	17.3
197.09610	4.8
197.13203	12.3
199.11113	6.5
203.05373	8.4
207.11685	20.0
208.12341	4.5
209.13229	15.5
211.14844	12.0
219.11774	6.3
221.13271	14.8
223.14803	16.8
225.12706	12.6
233.13300	11.3
235.14824	11.6
237.16431	10.9
247.14673	6.2
249.16386	13.7
251.18004	6.2
253.15784	6.1
263.18140	6.8
267.17642	5.1
281.18823	8.7
291.19708	8.7
297.18375	7.5
303.17783	6.5
347.23480	23.7
365.10593	10.6
365.24762	100.0
366.25342	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	365.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.7
55.01874	3.0
55.05516	17.4
57.03428	3.5
57.07077	3.3
57.73234	2.3
62.25956	2.0
65.03940	2.9
67.05508	31.5
69.03432	6.7
69.07072	20.7
74.30920	2.0
79.05501	23.4
81.07061	26.5
83.04989	2.4
83.08627	5.8
85.06542	7.4
91.05483	27.2
93.07052	35.1
95.04972	46.3
95.08605	36.2
97.02888	3.7
97.06528	6.2
98.21526	5.9
105.07042	40.7
107.04980	4.1
107.08596	26.7
109.06522	8.6
109.10157	19.3
116.06236	2.9
117.07017	15.4
119.08594	47.8
121.06516	5.4
121.10157	18.8
123.08023	4.4
123.11745	3.3
125.09601	3.6
128.06218	6.6
129.07018	14.3
130.07774	5.7
131.08598	26.7
131.67947	2.3
133.10153	22.9
135.08067	13.2
135.11661	11.4
141.07019	9.5
142.07793	16.7
143.08572	31.1
144.09331	12.2
145.10135	28.6
147.08080	6.8
147.11691	5.5
149.09648	4.4
153.06985	3.7
154.07805	4.2
155.08571	16.0
156.09349	12.1
157.10143	33.2
158.10884	3.2
159.08054	4.7
159.11703	31.0
161.09645	8.5
161.13287	7.0
165.07042	8.1
165.87300	2.3
167.08591	7.6
168.09309	5.3
169.10138	21.5
170.10976	10.7
171.11707	26.1
173.09637	9.8
173.13309	11.1
175.11159	3.0
178.07738	2.8
179.08618	9.8
180.09386	6.6
181.10109	19.3
182.10918	6.1
183.11691	27.2
184.12476	3.4
185.09642	3.3
185.13278	21.9
187.11208	15.2
187.14842	14.6
189.12729	5.7
191.14268	3.1
192.09383	8.5
193.10106	18.4
194.10959	7.8
195.11713	32.3
196.12511	12.2
197.09653	2.8
197.13269	25.2
198.14064	3.6
199.11261	4.1
199.14859	5.2
201.12778	5.6
203.14325	5.1
205.10150	5.5
205.15877	5.9
206.10922	8.0
207.11711	20.0
208.12547	14.8
209.13251	30.9
210.14038	6.2
211.11235	6.5
211.14868	9.6
213.10294	2.0
213.12744	14.5
213.16463	3.0
217.10086	3.6
217.15753	3.1
219.11742	5.7
220.12401	5.2
221.13274	23.4
222.14070	7.1
223.11295	3.3
223.13094	2.1
223.14934	19.2
224.15616	5.4
225.12833	7.7
225.16316	4.4
227.14441	2.7
231.11664	3.2
232.12599	3.2
233.13324	9.7
234.14159	3.1
235.14729	13.4
236.15681	5.2
237.16382	15.1
238.17242	6.0
239.14302	3.0
239.17960	5.7
241.15884	8.9
243.11533	2.5
247.11086	2.8
247.14845	8.1
248.15569	6.3
249.16432	16.1
250.17229	4.1
251.18068	12.7
253.15950	3.4
255.17508	4.3
258.14133	5.2
259.14774	4.6
261.16443	4.2
263.14233	4.5
263.17896	11.1
264.18762	3.8
265.15985	3.8
265.19650	7.3
267.17422	6.5
269.19061	5.2
273.16232	5.4
274.17014	2.6
275.17996	5.9
277.16000	3.2
277.19507	3.9
279.22073	2.5
281.19043	7.2
289.19427	4.4
291.16986	3.7
291.19849	19.9
299.17981	3.3
303.17963	2.6
305.19089	2.8
307.20621	3.5
319.24207	3.1
329.22644	6.5
347.23700	32.2
365.10834	4.9
365.24741	100.0
366.25189	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	365.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26911	2.8
53.57514	3.0
55.01868	11.1
55.05520	39.2
57.03428	10.3
65.03960	3.2
67.05512	43.5
69.03439	15.0
69.07077	42.8
71.05009	3.5
71.48345	4.4
71.48727	4.0
76.73870	2.7
79.05493	39.1
81.03408	9.8
81.07055	33.8
83.04971	8.5
83.08611	12.1
91.05481	28.1
93.07053	25.8
95.04973	14.6
95.08611	22.5
95.50938	2.8
97.02898	17.8
97.06537	8.7
97.10162	15.9
105.07050	23.3
107.04958	9.4
107.08595	16.6
109.02879	3.0
109.10143	14.9
111.08061	3.3
117.07021	7.1
119.08584	22.5
121.06495	4.8
121.10143	14.0
123.08100	5.6
125.09618	16.0
128.06197	3.3
129.07063	5.7
131.08574	8.2
133.06499	6.0
133.10130	8.6
135.08061	5.4
135.11696	6.4
137.06020	5.4
137.09578	3.0
143.08536	6.0
145.10132	15.4
147.08083	5.7
147.11740	4.7
157.10110	4.7
159.11687	5.4
161.09616	4.8
165.09119	5.9
171.11693	4.3
175.11221	5.0
177.12746	3.5
178.04936	4.0
185.13217	3.3
189.11234	6.7
203.05235	5.4
203.14395	3.4
223.13333	34.5
230.79375	3.2
273.18494	15.0
291.19528	100.0
303.17798	12.0
317.70306	3.1
341.84607	3.0
347.13031	9.3
365.10699	16.4
365.23441	45.5
366.23929	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47296	1.9
53.03935	5.0
53.11912	1.8
55.01889	10.5
55.05513	37.5
56.91514	1.9
57.03442	15.2
57.07091	2.4
58.88219	1.7
63.31498	1.9
64.71391	1.9
65.03945	2.5
67.05508	47.0
69.03438	15.3
69.07075	46.8
70.04245	1.8
71.04969	2.7
71.48737	2.3
79.05493	37.3
79.07932	1.8
81.03436	10.6
81.07060	44.1
83.04973	8.6
83.08617	10.6
85.06523	2.5
91.05476	26.8
93.06490	2.7
93.07049	31.8
95.04974	14.3
95.08607	18.8
97.02894	19.1
97.06551	4.9
97.10182	18.3
105.07027	25.2
107.04968	13.6
107.08594	26.7
109.06514	6.4
109.10146	15.1
111.04401	2.3
111.08087	4.6
115.05400	2.0
117.06985	11.4
119.08588	20.0
121.06506	5.5
121.10157	10.4
123.08054	5.4
123.11705	2.8
125.09651	12.6
128.06186	2.3
129.06982	4.6
131.08580	12.1
133.06535	5.2
133.10156	15.9
135.08099	10.2
135.11682	6.3
137.05940	2.4
137.09608	4.0
142.07736	2.3
143.08525	5.2
145.10124	14.8
147.08064	9.9
147.11679	4.5
149.09641	4.6
149.13231	5.0
151.11145	5.4
155.08528	3.1
157.10162	7.0
159.11668	5.2
161.09627	5.1
161.13235	2.3
163.11182	2.7
165.09087	3.5
167.10690	2.7
171.11699	5.1
173.13208	2.5
175.11214	2.4
177.09209	2.0
177.12820	2.8
178.04999	3.5
179.10660	2.1
185.04163	2.3
185.13336	3.3
189.11235	5.0
195.13789	2.5
203.05321	3.6
205.12346	2.0
223.13249	31.8
227.12643	2.4
245.19012	4.8
255.17509	3.0
273.18549	20.4
291.19550	100.0
303.17841	7.0
365.10776	10.5
365.23279	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	365.2324
Annotation	Galbonolide C
Peak:m/z	Relative Intensity
50.32702	3.3
53.03938	9.1
55.01865	13.0
55.05517	24.2
57.03428	13.3
57.07066	10.0
60.23464	3.9
61.02919	13.8
67.05508	34.0
68.63860	3.6
69.03429	41.5
69.07077	24.9
71.01324	7.4
71.01644	4.6
71.04990	22.8
71.35297	4.0
73.02911	14.2
79.05480	30.8
81.03403	17.7
81.07062	53.0
83.04979	20.1
83.08613	14.6
85.02912	49.2
85.06503	3.9
87.04452	5.4
91.05493	37.4
93.07044	48.9
94.07432	4.2
95.04969	13.2
95.08616	53.4
97.02898	18.4
97.06527	15.1
97.10183	6.1
99.04441	9.3
103.03981	9.3
105.07041	72.4
107.04916	6.0
107.08595	52.0
109.06525	14.9
109.10161	27.7
111.04433	11.3
111.08110	4.2
115.03935	6.5
115.05518	4.0
117.06984	22.5
119.04955	5.1
119.08578	59.3
120.37744	5.3
121.06506	13.0
121.10151	38.4
123.04433	6.1
123.08051	12.8
123.11741	22.2
125.05976	4.9
125.09612	8.9
127.03961	6.6
128.06264	7.3
129.05528	9.2
129.07004	14.3
130.07712	6.6
131.08600	44.8
133.06496	6.2
133.10144	45.3
135.08046	14.2
135.11667	20.1
137.06024	4.9
137.09627	12.8
139.11180	7.1
141.07010	5.9
142.07785	10.8
143.08606	25.2
144.09256	4.8
145.06528	6.3
145.10126	60.3
146.05849	4.0
147.08061	11.0
147.11691	36.4
149.09579	8.9
149.13228	14.8
151.07544	5.4
151.11208	6.4
155.08556	9.6
156.09340	10.6
157.10109	31.8
159.08075	9.4
159.11693	59.7
161.09593	11.6
161.13310	15.2
163.07550	6.8
163.11157	8.9
163.14793	5.1
165.12766	4.0
166.25221	4.2
167.08527	5.2
168.09435	5.4
169.10123	18.0
171.08026	7.9
171.11751	30.1
173.09570	9.7
173.13300	28.3
175.11145	7.9
175.14851	7.5
177.09128	5.6
177.12718	6.6
183.11707	11.6
185.13252	21.0
187.11218	6.6
187.14845	29.1
189.09109	7.7
189.12704	8.7
189.16402	49.6
191.10707	4.8
195.11671	9.0
197.13245	10.3
199.11163	5.3
199.14882	11.0
201.12720	6.0
201.16351	26.3
203.14098	4.3
203.17970	19.1
207.10094	6.4
207.11832	4.6
209.13298	6.5
211.14780	7.1
213.16357	16.2
215.14413	5.2
215.17880	21.3
219.17432	6.4
225.12804	9.1
227.14340	5.8
227.17929	11.2
231.17438	11.8
233.18887	5.5
239.14182	5.4
243.13840	9.5
245.19060	15.9
257.18991	8.2
261.14758	8.9
273.18616	5.7
275.87555	4.0
279.15961	5.4
287.20013	8.2
291.19574	5.2
299.19888	4.7
303.17847	12.4
311.20090	11.0
329.21008	29.3
347.22299	35.6
365.10330	7.8
365.18115	7.5
365.23285	100.0
365.31857	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	365.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.6
55.01872	11.9
55.05508	36.1
56.96571	3.6
57.03428	10.6
59.04982	6.8
64.29066	2.9
67.05505	39.1
69.03435	15.6
69.07076	44.4
71.04996	5.5
71.48624	3.1
71.48984	2.7
79.05494	36.0
81.03403	5.8
81.07057	37.8
83.04974	13.1
83.08629	12.0
85.02919	3.3
85.06532	3.0
91.05482	27.5
93.07056	33.3
95.04978	11.6
95.08613	22.0
97.02895	18.7
97.06513	6.0
97.10201	15.4
105.07045	25.9
107.04951	11.3
107.08610	23.9
109.06479	6.3
109.10178	15.5
110.75016	2.1
111.08064	4.4
115.05489	3.4
117.07028	10.8
119.08598	17.1
121.06496	5.5
121.10138	8.1
123.04418	4.3
123.08042	6.7
125.09650	15.5
129.07022	6.2
131.08553	9.9
133.06464	4.6
133.10127	12.1
135.08090	4.1
135.11685	9.2
137.09641	4.8
139.11157	7.7
143.08604	8.9
145.06464	3.8
145.10153	15.1
147.08047	6.2
147.11674	6.3
149.09654	3.3
149.13251	2.5
151.11150	3.8
157.10138	4.4
159.11707	8.4
161.05946	2.7
161.09621	6.8
161.13268	5.4
163.03865	3.5
163.11145	4.5
171.11749	3.5
173.09625	3.2
173.13272	3.7
174.96346	2.5
175.11203	3.9
177.12727	3.5
178.05016	5.8
185.13220	3.5
189.11227	8.0
193.12094	2.8
203.05191	4.8
209.13300	3.4
213.52998	2.5
223.13301	31.7
227.18228	3.0
239.25356	3.1
240.27388	3.3
245.19083	4.4
261.14746	3.2
273.15607	3.1
273.18491	21.7
284.12756	3.8
291.19562	100.0
303.17841	10.5
365.10815	12.3
365.23282	44.8
365.33011	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	365.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.8
53.70593	1.6
55.01867	6.0
55.05517	23.8
57.03444	10.8
57.07061	1.9
65.03935	2.6
67.05505	30.0
69.03431	12.2
69.07072	43.1
69.31949	15.9
72.77526	1.6
79.05495	24.2
81.03435	3.6
81.07054	24.0
83.04974	3.6
83.08616	7.9
84.26518	1.7
85.06534	2.0
91.05484	14.1
93.07046	18.1
95.04967	8.1
95.08611	12.9
97.02909	14.0
97.06555	2.1
97.10173	12.7
105.07048	10.5
107.04972	5.4
107.08577	13.0
109.06503	4.5
109.10197	10.1
113.06030	2.2
117.07023	5.4
119.08595	10.7
121.06510	4.3
121.10153	5.2
123.08065	4.7
125.09613	12.5
129.06960	2.3
131.08600	6.2
133.06677	2.5
133.10101	4.1
135.08069	5.5
135.11710	3.7
137.09636	3.4
143.08542	3.1
145.10089	4.2
147.08043	5.5
147.11682	3.9
149.09694	2.2
149.13278	3.8
157.10168	4.7
159.11705	4.6
161.09665	5.1
173.13272	1.9
177.12679	2.3
179.08459	1.9
185.04227	2.4
185.13306	2.9
189.11249	4.5
195.13847	3.8
203.05309	5.3
206.40175	2.1
223.13316	30.8
240.13791	1.9
255.17668	2.7
263.19931	1.8
273.18515	10.4
291.19556	100.0
292.19925	2.2
321.68652	2.2
334.87558	1.8
338.72125	1.7
365.10492	8.3
365.23227	32.7
365.31680	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	365.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55000	4.6
53.03939	11.0
55.01872	25.5
55.05511	37.8
57.03437	25.2
57.07072	8.0
66.26795	5.0
67.05193	4.8
67.05509	79.0
69.03435	14.2
69.07053	20.2
71.08625	4.5
71.49480	5.6
71.49838	5.4
79.05077	5.8
79.05499	72.7
81.03419	14.8
81.07055	84.2
83.04977	23.5
83.08602	15.3
85.02867	4.7
85.06536	5.6
85.30144	5.1
89.76838	4.4
91.05477	100.0
93.06503	5.0
93.07054	79.9
95.04958	20.6
95.08622	35.3
97.06519	15.4
97.10166	4.9
105.07024	66.8
107.04945	29.0
107.08614	47.6
109.06503	19.3
109.10171	37.7
111.08090	14.2
117.07001	20.4
119.01764	6.3
119.08574	35.9
121.06487	17.7
121.10142	28.4
123.08041	10.3
123.11698	7.6
125.09621	6.5
129.06979	10.9
131.08582	29.4
133.06516	23.6
133.10126	70.0
135.08075	26.9
135.11693	14.9
137.05946	6.0
137.09593	5.2
139.07526	6.8
139.11160	6.8
143.08559	21.5
145.10112	20.3
147.08031	16.9
147.11674	5.7
149.09630	39.3
149.13295	7.8
151.11165	31.4
153.03600	4.9
153.09087	5.7
155.08612	7.8
157.10146	11.5
159.08099	11.0
159.11696	9.6
161.09616	15.9
169.10124	6.4
171.11674	9.6
173.09544	6.0
175.11200	10.8
177.09109	11.8
178.04939	7.3
185.13237	7.1
189.12816	6.9
203.18159	5.2
215.14311	5.8
227.17940	5.1
245.19072	15.3
248.73645	5.9
253.14403	14.3
255.17534	5.3
263.20078	19.2
269.13962	8.6
269.87405	4.6
273.18475	49.8
291.19495	38.4
303.17673	18.6
365.10458	11.7
365.23367	90.7
365.33221	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	365.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.3
55.01873	8.6
55.05272	2.2
55.05513	27.6
57.03442	13.1
57.07061	1.8
66.52059	1.4
67.05506	40.1
69.03432	11.6
69.07070	42.9
69.21704	10.4
70.27940	1.5
71.04992	3.7
72.56731	1.3
73.19971	1.3
79.05070	2.2
79.05495	27.4
81.03408	6.6
81.07060	24.8
83.04974	5.6
83.08620	10.7
85.06547	1.4
91.05480	17.9
93.07042	22.8
95.04957	9.8
95.08611	17.6
97.02901	13.2
97.06525	4.4
97.10175	19.0
105.07027	15.3
107.04946	9.3
107.08597	16.2
109.02892	1.4
109.06519	4.3
109.10162	12.8
111.08054	2.6
112.41841	1.5
117.06999	5.7
119.08602	14.5
121.06528	3.0
121.10104	5.7
123.04449	1.9
123.08055	4.9
123.11682	2.1
125.09649	13.9
128.06235	1.7
129.06998	2.9
131.08580	8.4
133.06485	4.7
133.10143	6.4
135.08066	5.9
135.11684	3.7
137.09676	2.0
139.11185	4.0
143.08556	3.8
145.10112	7.8
147.08018	5.2
147.11691	4.8
149.13232	3.3
155.08524	1.6
157.10112	4.5
159.08009	1.5
159.11710	3.9
161.09656	4.2
161.13336	2.1
163.11211	3.0
165.09093	3.7
168.47838	1.4
169.10094	1.6
170.06798	1.5
171.10201	1.8
171.11671	2.4
175.11189	3.4
177.12752	2.4
184.56947	1.5
189.11221	7.8
189.12718	1.7
195.13809	1.6
205.12265	4.1
223.13275	28.3
226.20866	1.4
227.12784	1.8
245.18991	3.7
249.14906	1.7
255.17551	2.2
263.19986	1.9
273.18588	16.5
291.19547	100.0
303.17853	3.6
347.22086	2.0
365.10770	2.8
365.23230	59.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.5
56.96570	10.0
57.03437	4.0
60.04526	4.0
61.01158	32.8
62.97180	3.5
64.43023	3.0
67.05514	5.6
70.06596	8.0
71.48480	3.4
72.04519	25.2
72.08152	3.9
73.02903	5.3
76.35371	3.2
78.03787	22.2
84.04495	3.1
84.08150	3.1
85.02901	7.4
85.06512	3.4
86.06094	7.4
87.00835	23.9
88.02213	4.3
91.05492	8.9
95.04951	4.9
97.02906	6.0
98.06027	4.3
99.05578	8.6
101.02575	2.8
102.03782	20.1
103.02180	31.3
107.04981	4.0
108.04499	14.4
113.05997	5.8
114.03777	13.6
114.05543	53.4
116.98634	3.6
120.04820	41.1
120.08116	4.4
122.06076	3.3
123.04479	3.5
124.07616	4.9
126.05476	4.4
127.03910	4.9
128.06198	3.1
129.00079	6.1
131.04933	5.4
131.06386	5.9
131.08566	5.2
132.04790	15.1
137.06050	6.6
142.08704	7.9
146.02756	16.6
147.01143	19.3
147.04443	3.5
149.07436	33.0
151.06274	9.6
152.06593	6.1
159.04512	6.0
159.05870	13.1
159.08107	5.9
160.08377	3.5
161.06021	6.7
164.03758	6.8
173.05994	3.9
174.05885	4.4
176.07149	4.6
177.05435	3.1
185.04247	7.4
187.07552	6.0
191.06953	4.8
191.08519	49.7
199.07584	3.1
201.07021	4.0
203.03474	4.0
203.05284	14.4
203.10548	3.1
206.11800	13.7
215.07027	6.2
217.06544	7.7
219.06461	3.7
230.06750	5.8
233.08141	9.5
234.99039	7.1
235.07492	100.0
237.02887	3.5
243.06618	4.2
248.07707	6.9
249.13281	14.1
252.97838	3.3
259.15195	4.2
261.07574	29.2
297.04056	5.1
303.08569	3.3
303.13806	23.7
303.17807	9.4
305.06644	6.1
321.09665	3.8
325.50391	3.6
347.12579	17.5
347.20450	10.8
365.05664	9.0
365.10614	16.9
365.14761	3.9
365.21408	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	365.1133
Annotation	10-Hydroxycamptothecin
Peak:m/z	Relative Intensity
55.05511	1.8
57.03427	0.6
69.03430	4.7
70.84963	1.1
70.85292	0.8
83.75847	0.6
85.02921	1.5
86.43633	0.7
89.03944	0.7
91.05463	1.0
97.02898	1.0
108.04468	2.2
111.04465	0.6
113.87582	0.9
115.05476	1.3
117.07018	1.8
118.06549	25.8
125.02411	0.8
127.03881	3.5
130.06543	3.9
130.92361	0.7
142.06548	2.4
143.07318	2.4
144.08089	10.7
145.02852	1.4
146.06018	41.4
147.04434	1.7
149.02353	7.6
150.05545	0.9
159.09270	1.0
163.03929	2.3
164.06963	0.9
170.06026	2.7
174.05469	0.9
175.07584	1.4
177.05467	2.9
178.05006	100.0
179.05342	1.0
179.95927	0.8
181.07712	0.8
188.07068	19.6
190.04996	4.5
192.06541	2.3
203.06973	1.5
230.11327	1.4
234.03989	1.3
236.05542	5.5
252.97839	0.7
259.15326	2.4
273.13672	0.7
274.14011	0.8
292.09723	0.8
302.17529	2.1
303.17850	14.9
319.10779	11.5
321.18808	5.6
347.20450	4.9
348.79224	0.8
365.11331	58.8
365.21106	6.2
366.11737	1.6
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
54.29082	0.3
56.10035	0.3
57.36376	0.3
59.42046	0.3
69.98918	0.8
69.99310	0.7
101.00810	0.4
173.52031	0.3
185.04222	24.6
203.05269	51.6
204.05746	0.4
245.05118	0.5
248.14923	0.3
365.10562	100.0
366.10989	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16899	0.7
69.99088	1.6
69.99484	1.2
85.12955	0.8
98.21547	0.9
110.64005	0.7
131.01845	0.8
136.25357	0.7
143.01913	1.9
171.30818	0.7
173.02896	1.1
181.48785	0.8
185.04256	21.8
195.34467	0.7
203.05287	51.4
237.84988	0.8
245.05069	2.1
245.99573	0.8
365.10580	100.0
366.10883	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
57.25586	0.4
69.07050	0.9
70.03706	1.5
79.05484	0.8
96.08157	0.4
97.06538	7.1
123.96074	0.3
127.99441	0.4
131.08548	0.5
137.05991	0.4
143.08553	0.6
146.05997	0.5
147.06796	7.9
148.07571	0.4
158.09627	0.5
159.08031	0.6
160.11197	0.7
161.05984	0.4
162.05513	0.6
164.07103	0.8
171.08070	0.4
173.09669	0.5
176.07092	2.9
176.10724	6.0
177.07851	6.9
177.09323	0.6
186.09116	0.5
187.07535	0.8
188.10707	0.7
189.09132	0.5
190.08580	0.4
199.07573	0.7
202.12288	2.9
204.10220	3.6
205.10980	2.2
206.11826	1.6
213.42648	0.4
216.10051	0.5
224.78030	0.4
229.10982	1.5
230.15448	1.2
241.12265	0.4
258.11227	0.6
258.14954	2.6
260.12912	1.7
273.13583	14.3
274.13959	0.4
302.17508	100.0
303.17929	2.2
320.18546	6.5
346.20139	12.3
364.21173	22.9
365.21548	0.4
386.64249	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	0.5
69.07063	0.9
70.39305	0.7
70.39691	0.8
79.05484	0.8
81.03404	0.7
81.07021	0.4
82.64442	0.3
93.07034	0.6
97.06542	1.9
103.44671	0.3
105.07016	0.5
108.65735	0.4
119.08523	0.5
120.30339	0.4
126.71278	0.3
130.67981	0.4
131.04884	0.5
131.08545	0.6
137.05956	1.3
138.37053	0.4
147.06766	0.5
148.07607	3.6
148.11168	2.0
149.05920	0.5
149.12053	0.6
151.47736	0.4
159.08032	0.7
160.11234	1.0
161.05995	0.9
163.06320	0.5
163.07544	0.4
175.07498	0.4
176.07089	20.5
176.10701	28.8
176.82851	0.3
177.07744	1.5
177.11494	4.7
187.07539	0.4
188.10696	0.9
189.09100	0.9
190.08586	1.6
193.12094	0.4
204.08432	0.2
204.10194	11.7
205.10989	21.8
206.11717	1.6
211.13223	0.4
212.92807	0.4
260.12869	0.4
273.13617	3.5
284.16513	0.6
302.17511	100.0
303.18054	2.0
311.00397	0.4
320.18619	0.9
328.19043	0.7
329.17456	0.4
346.20139	20.5
347.18719	0.6
360.89490	0.4
364.21185	36.9
365.21555	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58216	0.9
55.01893	1.4
55.05503	4.0
56.85293	0.9
57.03435	1.6
57.07079	8.2
59.05019	1.1
67.05520	8.4
69.07074	7.2
71.08633	7.6
72.08163	0.9
79.05474	5.3
81.07059	13.3
82.47509	0.9
83.04978	1.6
83.08610	3.0
85.06549	2.8
89.01820	0.9
89.06023	4.4
91.01667	0.9
91.05481	3.5
91.62585	0.9
93.07041	7.5
95.04958	1.0
95.08615	9.3
97.06495	1.3
97.10193	0.9
97.90331	0.9
99.08109	3.4
100.99626	1.0
105.07053	4.6
107.08590	4.3
109.06516	20.3
109.10149	4.3
119.08589	3.1
121.10159	3.7
122.07236	1.1
123.07214	2.0
123.08080	35.7
123.11663	1.6
125.09589	1.2
131.08583	1.2
133.10069	2.0
135.08087	4.1
135.11687	2.7
137.09647	2.5
147.11690	3.0
159.11708	1.6
161.13297	1.3
165.12834	1.7
167.14214	1.1
173.13298	1.1
179.14320	84.4
193.15891	3.5
228.87009	1.1
251.04651	1.5
274.61459	1.2
289.18027	1.6
307.22690	2.7
331.26352	5.0
363.28949	100.0
364.29306	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	10.3
56.29488	4.8
62.42936	5.0
69.03416	4.9
69.83646	26.0
70.07497	5.4
73.02924	40.3
74.03303	4.6
88.27883	4.7
96.22972	5.3
98.97587	13.0
104.39315	5.6
130.07355	5.9
145.06406	7.6
158.99710	7.2
163.49449	5.1
211.07535	6.1
212.07872	9.6
219.01886	5.1
226.06255	25.1
227.06639	90.0
237.02956	7.5
241.08571	22.6
242.08943	100.0
302.11075	68.5
302.17270	8.0
319.13522	6.8
346.09958	47.1
363.10687	94.5
363.16418	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	362.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.5
57.07078	6.1
59.99112	8.5
67.05499	0.4
69.82014	0.3
70.06596	0.4
71.08613	0.4
71.49606	0.5
72.08163	2.4
79.05492	1.1
85.07662	0.6
86.06072	11.4
102.03775	1.7
102.99685	0.6
106.06558	100.0
107.06897	0.8
134.06052	0.7
145.04314	16.3
173.27303	0.4
174.18559	0.4
176.84241	0.4
191.11821	0.7
208.05426	4.4
250.10117	20.9
257.16803	2.9
285.43253	0.4
362.22626	1.6
362.32874	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03895	0.9
55.01814	0.9
67.05405	2.5
69.03333	0.9
69.06966	1.9
69.07316	0.9
70.03664	2.3
74.29951	0.6
79.05383	14.7
79.05878	1.4
79.67808	0.7
81.03309	7.3
81.06981	1.6
83.04891	0.8
91.05369	6.7
93.06924	4.5
95.04855	6.5
97.06415	2.9
97.49290	0.7
105.07033	5.8
107.04865	1.3
107.08586	10.7
116.06060	0.8
117.07018	4.6
119.04884	1.1
119.08438	3.0
121.02744	3.1
121.06510	5.4
127.15293	0.7
128.06104	1.3
129.06934	1.3
131.04886	1.1
131.08566	5.2
133.06372	2.0
133.10172	4.6
135.04398	0.8
137.06007	3.6
141.06895	0.9
143.08557	4.1
145.06358	2.3
145.10023	2.4
147.04321	1.0
147.07912	1.1
147.79384	0.7
149.05846	2.9
149.09528	1.9
151.07497	1.2
155.08453	1.1
157.06430	0.9
157.10027	3.2
159.08076	5.7
159.11624	1.9
160.07523	0.7
161.06007	15.6
161.09628	22.3
162.05421	2.0
167.08554	4.0
167.09668	0.8
169.10034	1.8
171.07974	2.0
173.09491	1.4
175.07500	1.2
176.06938	0.9
177.08997	2.2
181.10104	1.3
183.07903	0.9
183.11646	1.1
185.09680	4.8
187.11028	1.4
187.84010	0.7
190.04910	1.9
191.10614	0.8
193.09991	1.0
195.07982	1.3
197.09572	1.1
197.13213	1.3
203.10597	1.1
205.08467	1.2
207.11571	2.6
208.16878	0.7
209.09579	1.3
209.13318	0.9
211.11038	2.0
213.09149	1.1
217.08441	1.0
225.12706	5.5
227.10521	0.8
227.14246	0.9
231.10162	1.7
235.11200	4.9
237.12691	2.0
249.11212	5.8
253.12218	6.2
255.13791	1.7
271.13309	13.8
281.11737	4.6
299.12775	16.4
300.16006	1.8
317.13846	100.0
318.14105	2.3
327.15897	2.6
344.18512	3.1
344.22284	2.4
345.13367	1.9
362.15997	23.5
362.19556	2.0
362.22815	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	362.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01635	0.8
55.01876	9.5
70.92830	1.3
70.93157	0.7
72.70106	0.5
73.02922	28.2
85.02917	0.9
91.05492	3.9
103.05469	0.8
107.04970	4.3
115.05459	1.0
117.07022	4.0
119.04898	0.8
123.04439	6.0
128.06226	1.5
129.07004	7.0
130.07765	2.3
130.69945	0.6
135.04417	3.0
136.05154	1.0
137.05997	0.7
139.03925	1.1
141.06958	0.7
143.08559	2.2
145.06509	6.1
149.16190	0.6
153.06985	1.5
155.08521	1.1
161.05952	1.8
163.07515	2.8
165.06966	2.5
167.08571	2.1
168.05667	1.7
171.08054	3.2
172.08792	0.9
175.32147	0.7
179.07047	2.0
183.08057	4.1
185.09613	1.3
193.06476	0.8
195.08041	2.1
196.05231	3.7
199.07497	1.4
211.07542	11.6
211.74315	0.6
213.09116	2.0
223.07616	1.4
225.05415	1.0
226.06256	89.5
227.06871	1.4
229.08708	2.8
237.09149	0.9
241.08606	100.0
242.08885	1.8
247.28387	0.6
253.04994	1.1
255.10101	0.7
258.05301	0.6
259.09650	1.1
263.06894	0.9
265.08615	1.6
271.06021	1.3
281.08011	1.4
283.09592	2.0
285.07532	0.7
301.10715	53.6
302.10968	1.0
318.13388	8.2
327.08490	1.5
345.09720	37.3
346.09937	0.8
362.12329	22.7
363.10480	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2734
Annotation	O-Arachidonoyl Glycidol
Peak:m/z	Relative Intensity
50.05768	1.7
53.03942	8.1
53.28811	1.5
55.01868	9.8
55.05508	24.1
57.03439	28.0
57.07084	11.4
65.03935	4.2
66.61021	1.8
67.05505	70.1
68.99786	4.8
69.07066	23.4
71.04987	3.0
71.08622	5.8
71.49580	2.0
73.02927	4.7
78.21831	1.5
79.05492	60.3
81.03417	3.6
81.07056	64.1
83.04980	4.1
83.08614	9.0
84.76910	1.5
85.06552	3.9
85.10183	3.2
91.05479	72.5
93.07046	52.7
93.07648	2.7
95.04972	5.4
95.08606	50.3
97.06522	9.4
97.10159	5.8
103.03958	4.0
104.41344	1.7
105.04521	2.3
105.07034	72.9
107.04948	2.3
107.08597	27.0
109.06579	2.0
109.10143	14.7
111.08071	2.5
111.11723	1.7
116.58407	1.8
117.07008	19.5
119.08584	42.4
121.10137	26.1
121.10941	2.7
123.08061	6.7
123.11707	5.1
128.06258	4.0
129.01843	15.5
129.05490	23.0
129.06982	13.4
131.08554	28.0
133.10120	27.0
135.08043	4.7
135.11688	11.3
137.13304	2.1
142.07751	1.7
143.08562	10.8
145.10124	18.3
147.08006	2.6
147.11679	15.7
149.09653	3.9
149.13275	3.7
155.07063	2.6
157.10132	12.6
159.11684	7.2
161.09622	4.1
161.13263	11.7
163.14818	4.7
171.11665	11.8
173.13304	4.8
174.50600	1.6
175.11220	4.0
175.14828	10.1
177.16403	3.4
183.11612	2.0
185.08095	12.2
185.13242	12.3
187.14836	7.2
189.16357	8.4
193.04985	3.4
199.14827	7.6
201.16353	5.3
203.17949	15.5
213.16415	5.1
215.17952	3.3
221.96196	1.8
227.17850	2.5
241.19385	2.7
243.21118	9.4
245.22627	2.8
259.24387	1.7
267.03598	2.4
269.22684	30.8
287.20847	3.0
287.23697	15.3
325.25592	1.9
338.07275	2.0
361.27423	100.0
361.37631	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2738
Annotation	O-Arachidonoyl Glycidol
Peak:m/z	Relative Intensity
51.39811	1.8
53.03936	9.3
55.01876	12.5
55.05516	32.9
57.03165	2.5
57.03438	34.0
57.07088	9.4
59.99092	2.5
65.03926	5.4
67.05505	100.0
69.07070	27.9
71.08621	5.6
73.02920	5.2
77.00568	2.0
79.05495	82.3
81.03409	4.7
81.07056	76.4
83.04968	3.8
83.08609	12.4
85.06521	2.7
88.02191	5.9
91.04908	4.7
91.05483	98.9
93.07043	72.7
95.04954	8.2
95.08607	61.4
97.06541	11.5
97.10160	4.2
103.03953	3.4
105.04498	2.8
105.07030	74.1
107.04904	1.9
107.08594	35.1
109.06508	3.8
109.10159	19.0
111.08096	2.7
116.05293	8.5
116.06081	1.9
117.07017	23.2
119.08580	47.4
121.06489	2.6
121.10152	29.2
123.08063	7.4
123.11709	4.4
128.06245	3.1
129.01811	4.1
129.05499	32.8
129.06969	17.4
131.08585	33.2
133.10141	36.7
135.08049	5.1
135.11697	13.0
142.07787	2.7
143.08577	13.9
145.10114	20.1
147.08064	4.0
147.11662	17.4
149.09558	4.4
149.13245	5.0
157.10133	12.6
159.11719	9.8
161.09616	4.9
161.13278	13.7
163.14790	4.8
171.11688	18.3
173.13264	7.4
175.11150	3.8
175.14783	12.2
177.16399	4.2
185.13258	11.3
187.14830	6.4
189.16399	10.8
191.17868	2.6
199.14830	10.5
201.16380	7.9
203.17938	18.5
213.16333	5.4
215.17865	2.4
236.63037	1.9
241.19701	2.1
243.21056	9.1
245.22610	5.5
259.23978	2.0
269.22659	38.3
271.24255	3.8
287.23660	13.2
360.97952	3.2
361.27368	95.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14369	1.1
52.89784	0.9
55.01866	1.8
55.05509	3.9
57.03159	2.1
57.03440	43.7
61.02932	10.3
63.12815	1.0
66.24898	1.0
67.05508	20.1
69.07077	5.1
71.04976	1.8
71.48956	1.3
71.49322	1.5
79.05499	7.8
81.07061	16.2
83.04954	1.2
83.08612	3.0
85.06541	1.7
91.05482	3.2
93.07033	5.1
94.06545	0.9
95.08607	20.4
97.06527	2.7
97.10168	2.7
99.36478	1.1
107.08590	3.2
109.10160	16.2
117.05499	100.0
118.05837	1.0
119.08588	2.2
121.10178	9.5
123.04359	1.0
123.11693	3.1
132.95840	3.4
133.10106	1.6
135.11693	7.0
137.06062	1.3
144.95758	1.4
149.13211	2.5
149.93828	1.1
158.09688	1.1
170.08453	2.6
174.96925	4.1
178.08603	4.2
182.09625	2.1
184.09940	2.6
185.10773	4.6
191.18015	3.2
197.10733	1.5
198.07782	1.4
199.08716	8.8
199.12323	10.0
200.09491	11.7
200.94754	1.3
209.10794	1.2
209.19063	4.3
211.08730	1.2
212.09383	2.6
213.10245	13.6
214.10925	3.0
215.18054	1.9
227.08139	3.0
227.11769	9.4
227.20114	2.6
228.08936	2.8
233.18922	2.4
239.08176	2.5
240.08974	2.7
241.09721	5.1
242.10310	1.6
245.13092	0.9
251.20035	1.3
253.09691	1.8
255.11304	17.8
271.10815	4.9
273.12338	39.4
276.61346	1.2
283.10791	15.6
284.19647	1.2
297.12299	1.3
301.11847	22.2
302.11993	1.2
302.17520	4.0
304.60669	1.2
315.13437	4.4
318.17133	3.8
325.11728	1.7
333.14462	9.8
343.12827	7.8
343.24802	3.2
361.14148	18.7
361.21729	1.8
362.19574	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	360.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.6
63.51491	0.6
65.63302	0.6
67.05497	1.5
69.22153	1.3
69.22553	4.6
72.89753	0.5
75.28881	0.5
79.83614	0.6
81.07047	1.2
91.05456	2.7
95.04960	1.2
96.08139	2.1
96.37302	0.6
96.92843	0.6
103.05502	0.6
105.07034	3.9
111.04483	0.6
115.05444	1.4
117.07021	13.8
119.08582	10.9
122.98502	0.5
124.03910	1.2
124.07578	1.1
128.06207	0.6
129.06993	1.3
130.07788	2.2
131.08575	2.8
133.10130	0.9
136.07571	0.6
142.93227	0.6
143.08572	5.0
145.06500	2.2
145.08907	2.1
145.10115	15.0
147.08032	2.3
147.11691	1.3
155.07396	0.7
155.08569	6.6
157.08952	0.6
157.10074	1.3
158.07297	1.1
159.11803	0.6
160.11232	2.3
165.71718	0.7
168.09331	0.7
169.10136	2.2
171.11641	1.4
173.06029	5.5
173.08394	1.0
173.09651	3.5
179.08461	1.0
181.09987	1.0
182.10928	0.7
183.11737	2.1
188.10715	4.5
192.09312	1.2
197.13295	3.1
199.07558	0.6
201.09131	1.3
207.11697	1.7
214.08565	1.5
214.15852	0.9
216.10204	100.0
217.10524	2.3
221.15431	1.0
225.12756	2.3
225.16396	1.0
228.10197	1.0
237.89838	0.6
242.15643	0.6
244.13350	21.7
252.13701	0.8
253.12273	2.9
253.16104	0.7
261.83545	0.6
270.14899	39.4
271.15265	0.7
271.20297	0.6
281.15271	0.7
286.14349	0.6
288.15936	65.0
289.16550	1.1
298.18018	24.8
299.18378	0.9
316.19086	49.6
317.19522	0.6
360.18069	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	360.1804
Annotation	Prometaphanine
Peak:m/z	Relative Intensity
65.47089	0.5
67.05487	1.9
67.61214	0.5
69.41711	4.3
79.05483	1.6
89.80846	0.6
91.05486	4.2
96.08134	1.2
105.07006	2.1
107.07296	0.9
107.08606	1.3
110.06066	0.6
115.05438	2.4
116.06255	0.8
117.07003	2.0
118.07773	0.6
119.08595	4.6
123.08114	0.6
124.03954	2.3
128.06212	1.4
129.07037	3.3
130.07767	0.8
131.08568	13.9
132.07921	0.6
133.10138	8.0
138.05533	0.6
141.06964	0.7
142.07791	1.3
143.08569	3.2
144.08218	0.6
144.09349	3.6
145.06487	1.3
145.10120	2.4
146.05991	2.8
146.07251	2.1
147.08105	0.7
154.20599	0.5
155.08531	1.4
156.09320	1.1
157.08969	0.8
157.10129	6.5
159.08063	6.4
159.10460	2.0
159.11687	6.3
161.09598	2.1
167.08536	0.6
169.10136	4.8
170.09592	1.0
171.08081	1.2
172.08833	2.8
173.05965	1.1
173.09532	0.9
174.06699	1.0
174.12782	0.6
179.08417	1.3
181.10120	1.7
183.11638	0.7
185.09677	0.6
187.07550	3.2
187.09911	1.7
187.11189	1.6
192.09288	3.4
193.10043	1.1
195.11630	1.0
196.11082	1.2
196.12605	1.0
197.13239	1.1
198.06715	0.8
198.09163	4.4
200.06992	1.5
200.10747	2.2
202.12276	1.7
206.10954	0.6
207.11739	2.8
209.11879	0.9
210.09039	0.6
211.14801	2.1
213.83850	0.5
214.08551	1.1
214.12215	0.7
215.09436	6.2
216.10197	2.2
218.09657	0.8
219.10493	2.1
221.13319	0.7
224.14384	2.1
228.17485	0.9
230.11766	100.0
231.12064	1.4
232.11043	0.8
234.12747	2.1
236.10837	1.1
237.11458	2.0
239.14238	2.1
240.13872	1.1
242.08138	4.9
250.12332	1.2
252.13861	22.6
253.12151	0.8
254.08163	3.1
267.13803	1.6
268.13266	2.1
269.14041	0.8
270.14920	1.5
284.16446	28.6
285.16745	1.0
286.14441	1.4
296.12772	5.0
300.16043	0.7
316.19086	11.2
328.15430	13.9
360.18057	95.7
361.18454	3.4
383.34781	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92938	1.8
55.01861	1.3
56.05042	1.7
56.96556	1.9
57.03440	4.0
61.02910	2.4
69.03443	9.2
70.90520	3.2
81.03412	5.1
85.02441	2.0
85.02910	22.3
86.09721	7.2
93.03398	5.4
97.02902	9.8
98.97602	4.9
99.04471	3.3
100.11032	1.6
106.06572	1.9
107.04952	15.6
109.02878	2.7
110.97539	1.6
111.04452	11.8
119.01891	1.4
119.46449	1.4
127.02425	1.6
127.03922	4.6
128.98610	1.7
134.05983	1.4
135.03412	2.2
135.04428	33.3
137.05981	1.9
139.03918	44.5
145.04959	4.0
152.07076	90.0
158.52155	1.6
163.03918	9.8
172.08174	1.9
181.04956	45.9
194.08081	2.9
198.07631	100.0
198.97594	2.0
214.09210	3.5
216.98749	5.9
219.01697	1.4
232.10266	2.4
258.99707	3.1
261.02835	1.6
270.99823	3.8
277.01022	1.6
286.07645	2.5
288.09323	1.8
300.09140	2.1
318.05533	2.0
330.10370	1.8
352.75571	1.4
360.12656	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.8
61.02919	1.0
69.03417	1.2
71.00039	0.7
73.02907	1.4
79.05486	0.8
81.03414	0.4
85.02911	5.3
85.94907	0.4
86.09709	0.5
87.04469	0.7
89.03923	6.4
94.14315	0.4
97.02885	1.9
107.04977	2.1
109.02892	0.4
111.04470	0.6
117.03390	10.3
122.06007	0.5
126.34212	0.5
127.03881	0.8
135.04428	16.7
139.03914	1.1
145.02859	15.1
145.03989	0.8
145.04977	1.8
150.05498	1.2
152.07080	1.8
163.03915	100.0
164.04234	0.9
165.05519	0.7
181.04971	19.7
198.07632	1.5
226.06375	0.8
227.07057	7.0
316.11871	0.6
360.10724	1.1
360.18283	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89756	0.3
51.10165	0.3
63.02372	0.4
69.48229	1.8
69.48645	0.8
71.93902	0.3
72.08139	0.5
79.05512	1.6
89.03923	9.0
98.21558	0.6
105.14247	0.3
107.04968	2.9
117.03386	13.7
118.24169	0.3
133.42786	0.3
135.04427	20.4
139.03900	0.8
145.02859	16.1
145.03894	0.6
152.05960	0.4
152.07065	2.3
163.03914	100.0
164.04247	1.3
181.04964	1.1
198.07669	2.9
227.07033	0.4
253.37923	0.3
298.15659	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95216	0.3
63.02369	0.6
70.78048	0.8
76.73451	0.3
77.46022	0.3
79.05482	1.6
89.03916	9.1
95.04935	0.4
107.04948	3.4
110.78419	0.3
117.02544	0.4
117.03384	12.1
135.04414	21.1
139.03822	0.5
145.02846	14.8
152.07053	2.9
163.03902	100.0
164.04231	1.1
180.10954	0.3
181.04973	1.0
198.07620	1.8
198.11986	0.4
232.45836	0.3
252.76625	0.4
321.02185	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2944
Annotation	24:5 (n-3)
Peak:m/z	Relative Intensity
50.35604	2.6
55.01871	3.6
55.05515	17.5
57.03442	2.9
57.07077	10.6
67.05510	25.4
69.07072	30.3
71.49679	4.8
79.05495	9.9
81.07060	62.2
82.48161	2.7
83.08633	19.0
91.05479	12.3
93.07047	29.2
95.08609	100.0
97.06533	4.7
97.10168	8.3
101.06009	3.3
105.07029	20.4
107.08611	35.9
109.10159	48.9
109.44682	2.7
111.08077	6.6
111.11825	2.9
116.05353	3.7
117.07005	5.3
119.08574	27.8
121.10147	36.8
123.11729	34.9
127.07526	2.9
128.08293	2.4
131.08586	5.8
133.10149	24.1
135.11668	24.6
137.13261	41.9
145.10138	8.4
147.11714	23.3
149.13243	19.5
151.14832	9.3
159.11743	7.8
161.13271	15.8
163.14830	10.9
165.16382	3.0
173.13300	3.7
175.14844	11.0
177.12776	4.3
177.16382	7.5
181.12228	5.4
189.16399	5.0
191.17961	7.5
193.12216	3.3
195.13788	5.6
203.17908	9.5
205.19501	6.1
207.13814	3.1
209.15430	4.9
215.17944	2.9
217.19514	16.9
221.15324	8.8
223.17041	3.2
231.21100	19.7
235.16901	6.7
245.22775	3.4
249.18588	5.3
263.20026	3.9
275.20099	4.0
285.22128	3.1
303.23145	5.5
317.24908	3.7
359.26242	4.4
359.29523	70.7
359.36481	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	359.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.1
55.05516	1.2
57.03431	1.5
63.40049	0.6
67.05502	3.3
69.07076	1.3
70.73308	2.3
79.05484	3.3
81.07054	2.5
91.05488	2.9
93.07052	2.4
95.08599	2.2
105.07047	2.6
107.08594	1.5
108.81938	0.7
109.10173	0.8
117.07018	2.5
119.08589	2.6
121.10128	1.5
123.04173	1.3
129.07002	1.5
131.08562	2.5
133.10165	2.0
135.08153	0.9
135.11687	1.1
139.70042	0.8
143.08536	1.0
145.10104	1.8
147.11714	1.1
159.11714	1.7
160.81961	0.7
169.10126	1.2
173.13193	1.0
197.13277	0.9
197.99622	1.2
199.67155	0.7
201.16400	1.4
259.16653	1.8
267.21017	1.5
267.68829	0.8
272.00372	1.8
285.18268	100.0
286.18710	2.6
359.22238	4.6
359.25848	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	359.2192
Annotation	Bengamide E
Peak:m/z	Relative Intensity
55.01853	1.2
55.05504	1.9
57.07069	1.9
64.19150	1.1
67.05492	4.9
68.73445	1.3
71.03291	1.0
71.08651	1.3
71.49178	2.2
79.05478	4.6
81.07050	3.2
83.08632	1.3
91.05479	3.9
92.07655	1.2
93.07030	2.7
95.08578	2.3
97.06493	3.4
104.07108	1.7
104.97608	1.1
105.07014	2.8
107.08595	2.4
109.06541	2.6
109.10176	1.3
117.07051	1.2
119.08573	2.8
121.10127	2.3
123.08002	1.7
129.06976	1.2
129.09126	1.9
131.08556	3.0
133.10152	2.1
135.04416	1.6
145.10135	1.9
173.13193	1.3
201.16333	1.5
262.52780	1.1
277.63980	1.4
329.06528	4.1
359.11819	2.4
359.21899	100.0
359.29453	2.5
359.33615	2.8
360.22076	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	7.8
54.39725	2.4
55.01871	4.8
55.05502	9.9
57.03422	11.0
58.21685	2.7
59.04988	3.2
60.46081	2.2
60.46353	2.4
61.02929	17.0
67.05518	18.9
69.03085	3.5
69.03431	43.8
69.07071	29.7
71.00236	3.2
71.00555	4.5
71.05001	30.4
71.18421	2.3
73.02905	4.5
79.05489	16.2
81.03427	15.4
81.06597	4.4
81.07059	85.5
83.04956	2.9
85.02910	83.7
85.06542	6.0
87.04456	7.1
91.03947	3.4
91.05477	10.2
93.07040	36.6
95.05038	2.8
95.08617	69.5
97.02905	26.0
97.06532	13.4
98.06830	3.1
99.04445	7.6
101.06016	2.9
105.07034	26.2
107.08606	25.2
109.02868	8.2
109.06555	2.9
109.10153	17.2
111.11707	3.4
117.07016	2.7
119.08591	23.8
121.06437	2.7
121.10155	24.5
123.08064	7.9
123.11676	3.6
125.09644	20.3
127.03905	22.0
131.08560	4.1
133.10110	11.2
135.11688	28.9
135.80206	2.5
137.05977	3.9
137.09598	11.5
137.13234	18.6
145.04944	14.4
145.10170	3.2
151.14867	3.2
153.12749	4.5
154.32930	2.2
155.11055	2.1
159.11667	3.1
161.13274	48.2
179.12747	5.3
179.14317	100.0
197.15370	99.8
220.10423	3.4
359.20468	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.5
69.03416	0.4
70.06574	0.6
71.49077	0.6
72.08165	1.8
73.02904	0.5
79.05511	0.4
81.03400	0.4
81.84405	0.4
85.02936	0.8
86.09693	0.9
89.03915	1.0
103.03931	0.4
103.05491	0.4
107.04976	0.4
111.65205	0.3
115.08691	0.9
117.03416	1.7
117.79824	0.3
121.08286	0.3
122.06022	0.5
128.13539	0.4
131.04970	0.7
135.04414	2.7
137.06009	0.7
137.87541	0.3
145.02879	1.7
150.05544	1.0
152.07069	0.5
153.07037	0.4
157.13387	2.2
163.03908	13.0
164.04211	0.5
177.05444	0.3
179.05444	0.3
179.06984	0.4
179.11609	0.4
181.04945	1.1
182.02446	0.4
191.05595	0.5
197.12654	1.2
203.05336	0.6
226.06270	0.5
227.07043	3.6
257.09918	1.1
269.04465	0.4
274.12646	5.3
297.17807	0.4
300.10529	9.0
310.10968	0.4
313.08899	0.6
332.42758	0.4
359.17880	100.0
360.18268	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	359.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.2
66.94524	1.4
67.05503	3.6
68.41490	1.4
69.07044	2.2
70.40377	1.9
70.40727	5.0
79.05483	1.8
81.07046	4.5
91.05462	4.2
93.07048	4.8
95.04983	2.8
95.08592	5.4
97.06537	3.0
103.05475	2.5
105.07042	5.2
107.04963	3.2
107.08596	1.8
109.10135	2.1
115.05457	3.3
121.06523	2.7
121.10098	1.9
122.05997	2.5
122.09688	2.2
129.06984	1.7
133.10132	4.0
137.05986	32.6
137.51070	1.5
143.04903	2.6
146.03624	3.8
149.05949	2.9
150.09132	3.0
154.07729	1.8
159.11679	2.6
161.05988	26.7
165.07028	16.3
167.07028	3.3
167.08511	2.0
175.07555	4.4
179.08606	5.1
181.06419	2.3
182.07251	6.6
188.04683	6.1
191.07007	5.1
193.06540	16.7
194.07262	1.9
195.07994	2.8
196.08873	2.3
197.09602	4.0
199.07498	2.2
203.07016	20.2
205.08670	2.3
207.08099	5.2
207.53185	1.6
209.05930	2.7
210.06776	16.6
211.07608	2.6
221.05969	29.4
222.06702	3.2
223.07503	2.3
224.08342	8.3
225.07101	2.7
225.09113	30.6
227.07016	5.0
234.06784	3.6
235.07536	5.0
237.05348	2.8
238.06268	13.7
239.07092	2.0
239.10677	5.0
249.09116	6.7
251.06949	3.7
252.07846	6.6
253.08624	50.7
255.06500	5.0
266.09470	2.4
267.10181	24.3
269.08063	2.7
270.08844	6.0
277.08661	12.9
285.11243	100.0
294.08984	4.0
295.09708	11.8
299.12595	3.3
309.11264	21.9
311.09061	2.4
327.12289	92.1
328.12497	2.3
359.15921	1.7
359.22192	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20878	0.4
56.34921	0.4
61.24166	0.4
67.05502	0.7
71.22268	0.5
71.22620	0.5
81.20146	0.5
83.04960	0.7
91.05473	0.6
94.06562	3.5
97.06562	1.2
105.07018	1.9
111.09804	0.4
117.07006	1.8
119.08586	4.2
128.06223	0.7
129.07025	1.0
130.07802	1.9
131.08568	0.8
139.51382	0.4
143.08574	3.1
145.08879	1.6
145.10104	8.1
147.08014	3.1
155.08525	0.9
158.07314	0.8
160.11232	2.1
171.08075	0.9
171.11723	0.5
173.02603	0.5
173.08340	0.8
173.09651	1.0
174.10667	0.4
188.10667	3.0
195.11713	0.6
204.10258	0.6
216.10202	100.0
217.10519	1.4
244.13339	13.3
268.13327	2.8
286.14389	38.4
287.14789	0.9
287.38507	0.4
296.16702	1.0
314.17520	14.9
358.16965	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	0.7
74.44735	0.6
86.00638	0.7
86.09721	1.0
89.03926	9.7
91.05482	1.2
93.07056	0.6
97.06525	2.6
99.02704	0.6
105.06989	0.6
117.03383	29.9
117.16714	0.6
119.25812	0.6
120.08121	0.7
122.06023	1.7
123.04399	1.1
132.01141	0.7
134.03630	2.6
135.04384	0.7
136.07599	0.9
138.09125	1.0
142.58633	0.6
142.99232	0.6
145.02856	57.0
149.06015	8.1
164.07068	0.7
168.71924	0.7
177.05482	100.0
188.07448	2.0
188.59834	0.6
190.85149	0.6
219.10135	2.0
227.06837	0.7
229.16656	0.7
266.09036	0.9
298.11627	0.9
308.21899	0.7
314.10895	0.6
323.11261	0.8
328.10651	1.0
329.09039	0.7
358.13498	0.8
361.15414	0.7
368.98444	0.6
379.38330	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02380	0.7
69.93103	0.6
70.74587	1.5
79.05491	0.6
85.74049	0.6
86.09680	0.9
89.03414	1.0
89.03925	11.7
91.05461	1.6
93.07027	0.7
103.05481	0.6
106.04166	1.6
107.04946	1.2
109.05818	0.6
117.03386	33.7
119.04980	1.1
134.03635	2.3
135.04414	2.4
137.05997	5.2
138.06310	2.4
145.02856	64.8
146.03206	0.8
149.06004	10.1
151.03894	1.7
159.08066	1.3
159.64310	0.6
161.05956	0.7
163.03984	0.7
171.08057	0.9
173.05865	0.6
177.05481	100.0
178.05872	1.4
186.05504	0.7
187.07564	2.9
189.09087	2.6
198.52576	0.5
204.07428	0.6
207.10152	0.7
219.10239	1.2
277.12244	0.8
297.10901	0.8
298.08044	0.6
323.12830	1.0
328.12949	0.7
341.14172	0.8
358.09479	0.6
358.16568	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
64.02780	0.5
65.03960	2.9
69.39750	4.4
70.06603	0.7
71.01344	0.7
75.62579	0.4
79.05482	1.8
80.05019	1.2
82.06576	1.4
82.46445	0.6
89.03918	1.6
91.05487	2.6
91.61806	0.6
93.03420	6.8
94.04197	0.6
95.04938	0.6
98.21460	1.2
103.03929	0.9
107.04966	12.6
108.04477	4.6
110.06034	0.8
111.04450	11.0
117.03400	1.1
119.04946	1.0
123.04437	2.4
125.02376	0.6
135.04427	19.0
136.05185	0.9
137.05957	0.8
139.03920	19.4
145.02837	0.7
147.04390	1.6
150.03163	1.6
150.05537	1.2
150.59334	0.7
151.04025	0.7
158.02335	0.8
162.03145	1.6
162.05486	1.3
163.03932	6.0
174.05547	1.4
176.04706	5.5
177.04201	0.7
178.05009	58.4
181.05011	1.9
186.05504	1.0
190.04945	1.8
199.06229	0.9
200.07138	0.6
213.07858	0.7
214.08760	0.7
220.07640	0.7
221.06009	1.2
224.07309	0.7
225.05463	0.5
238.08611	0.9
238.70892	0.5
239.07153	1.8
240.49852	0.5
266.08224	1.9
267.06573	1.0
285.07617	2.3
294.07523	0.9
312.08685	69.6
313.09076	1.1
358.09244	100.0
358.17548	2.7
359.09512	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57250	0.3
50.87702	0.3
51.84188	0.3
52.00665	0.3
55.01855	0.6
55.05499	1.0
57.03426	0.4
67.05510	2.1
69.03426	1.1
69.07070	2.2
71.04976	0.6
71.48837	0.6
77.29810	0.3
79.05483	1.9
81.03405	1.5
81.07060	3.8
83.04963	0.5
83.08607	0.8
85.02896	0.5
85.06503	0.4
91.05465	1.4
93.07044	2.4
95.04946	0.8
95.08612	3.0
97.02898	0.5
97.06551	3.0
97.10201	0.5
99.04454	0.6
105.07019	1.4
107.08595	2.0
109.02885	2.0
109.10146	2.4
111.08067	0.4
117.07018	0.4
119.08602	1.4
121.06520	0.8
121.10146	1.6
123.04433	0.6
123.08060	0.4
123.11700	0.7
125.02305	0.4
125.09627	0.4
127.03909	1.2
129.06949	0.4
131.04973	0.4
131.08539	0.8
133.06496	0.5
133.10078	0.9
135.11702	1.1
137.05984	0.7
139.03870	0.3
143.08641	0.3
145.10110	0.8
149.09642	0.6
149.13284	0.5
151.11139	0.5
153.12698	0.4
157.10146	0.5
159.11696	0.5
161.06006	1.9
163.14850	0.4
173.05960	0.6
181.10229	0.4
187.15028	0.4
197.06111	0.4
201.16327	0.4
203.07027	0.7
217.05032	0.4
219.08109	0.5
219.10100	0.5
222.06772	0.4
225.09021	0.4
233.07907	0.5
237.09015	0.5
243.06558	0.4
265.08591	0.8
269.90665	0.4
275.23831	0.4
282.08701	0.4
288.16000	0.4
293.15231	0.6
293.24710	0.4
297.11285	1.1
303.23190	0.7
321.24243	0.7
325.10681	0.6
339.12302	0.6
339.25385	0.7
357.18839	100.0
358.19278	2.6
373.07736	0.3
379.59256	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46097	0.7
56.96560	4.1
70.06576	1.8
70.31296	2.8
70.57139	0.6
75.54240	0.7
84.08122	1.8
98.97601	2.4
104.73077	0.7
112.07616	2.3
134.69933	0.8
137.02299	0.7
138.02272	2.7
142.01749	0.8
156.03329	63.6
157.03633	0.9
168.03337	52.5
174.04402	27.3
182.65479	0.8
186.04399	100.0
187.04716	1.0
188.07671	0.9
192.05417	2.5
204.05447	35.0
209.05948	1.1
222.06544	1.1
227.97762	1.1
228.05449	50.3
243.71616	0.7
246.06500	27.9
246.08975	1.5
269.08109	0.9
279.10181	22.3
297.11252	33.6
339.05539	1.9
339.09354	1.0
357.14468	0.8
357.24774	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1333
Annotation	Acutissimalignan B
Peak:m/z	Relative Intensity
55.01871	1.5
55.05513	1.7
57.03418	1.2
67.05492	2.1
69.03416	2.5
69.07063	2.7
70.06562	1.4
70.79430	1.5
70.79805	1.8
71.04968	1.2
71.28398	0.9
71.33366	1.0
71.75579	1.0
79.05481	1.9
81.03392	1.3
81.07063	2.5
83.95313	0.9
84.08147	1.3
85.02888	3.6
89.06043	1.2
91.05470	4.6
93.07039	4.2
94.04186	3.0
95.08623	1.5
97.02893	2.0
97.06513	2.2
103.05462	2.6
104.49512	0.9
104.65070	1.0
105.07014	4.2
105.07630	0.8
107.04924	2.6
107.08589	3.2
109.02868	1.0
109.06524	1.5
109.10145	1.3
114.09166	3.2
115.05458	2.3
117.03352	1.9
117.07015	2.0
119.04905	1.2
119.08558	2.1
122.03636	7.2
123.04409	1.8
123.08054	3.6
126.33302	0.9
127.03851	1.3
129.07002	1.9
131.05005	1.2
131.08609	1.2
133.06454	2.1
133.08638	1.3
133.10130	3.6
135.11700	2.5
137.05981	100.0
138.06337	1.3
141.06934	1.0
143.04948	5.8
145.02892	2.6
145.06465	2.0
146.03616	3.3
147.04358	1.0
149.05989	2.6
151.03937	16.4
151.05072	2.3
153.05449	1.4
157.06459	1.5
161.05978	21.3
163.03917	1.8
163.07559	1.9
165.05573	1.1
165.06891	1.3
171.04414	1.2
174.06790	1.3
175.07526	3.9
176.07903	1.4
177.05424	4.1
177.06830	1.3
177.12764	5.2
179.08615	1.0
180.51880	1.0
181.06407	1.3
187.07568	2.2
189.09143	1.5
189.43341	1.1
191.07072	4.0
191.08568	1.6
192.00438	1.0
194.07254	3.8
195.08130	1.9
195.13800	3.9
197.06017	1.3
203.07022	4.0
205.06470	4.1
205.08611	7.1
209.09592	2.6
211.07536	1.5
215.07069	1.1
219.08063	3.4
221.06046	1.3
222.06793	3.5
223.07635	1.4
226.79974	0.9
233.05974	2.8
233.08115	6.8
234.06798	1.3
235.07578	2.4
236.07886	1.0
236.10085	1.8
237.05453	1.8
237.09123	6.7
239.07016	2.6
247.07536	1.5
250.06282	2.9
251.07079	1.8
253.08598	3.2
254.09306	1.4
260.74692	1.0
264.07700	2.4
265.08606	18.3
267.10098	1.8
269.08102	3.5
275.07047	1.5
279.06454	0.8
279.10242	3.6
281.08075	1.2
282.08917	5.9
288.30313	1.0
295.06076	1.8
295.09372	1.8
297.11230	49.0
298.11658	1.3
307.09567	7.3
309.11011	1.3
311.12778	2.1
313.07074	2.7
321.11005	1.3
325.10779	9.3
327.12317	14.1
339.12207	10.4
340.12573	4.1
357.06137	2.2
357.13327	39.3
358.16800	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1333
Annotation	Larixnaphthaone
Peak:m/z	Relative Intensity
54.68883	0.8
55.01867	2.1
61.41250	0.8
62.35245	0.8
65.03921	1.7
67.05497	2.4
69.03417	2.4
69.40626	2.8
69.41053	4.5
78.55563	0.8
79.05474	2.8
80.97039	0.8
81.03415	4.4
81.07053	2.9
85.02911	1.1
89.03850	1.0
90.86860	0.8
91.05473	1.5
93.07019	1.9
94.04176	3.1
95.04968	1.5
95.08638	1.7
97.02908	1.7
98.20800	1.7
99.04509	0.9
102.34013	0.8
103.05443	2.2
105.07039	4.5
108.02128	1.6
108.81625	0.8
109.02911	4.3
109.06525	2.7
109.10183	1.1
111.04437	1.4
115.05454	3.9
116.95303	0.8
117.05516	1.0
117.07025	1.4
122.03651	7.3
127.03929	3.9
131.04916	2.7
133.06497	2.1
137.05980	100.0
138.06334	1.2
143.04945	6.1
145.06512	1.6
146.03644	4.8
149.05978	2.0
151.03911	49.9
151.05038	5.6
155.04965	1.1
161.04639	1.7
161.05981	30.3
163.07558	2.9
165.05470	2.6
165.06911	1.0
166.07751	1.3
167.08585	2.2
173.06110	0.9
174.06807	1.1
175.07550	2.6
175.60394	0.9
177.06952	1.7
179.08615	1.3
181.06512	1.2
187.07512	1.9
191.07007	3.4
191.08612	2.9
194.07253	5.1
195.06503	1.0
195.08009	4.2
203.06995	1.8
205.06497	4.1
205.08623	6.5
206.07367	1.3
207.08022	1.9
208.08839	1.1
209.09694	2.5
213.09041	1.9
215.07010	2.3
218.07451	1.1
219.08087	4.5
221.06010	2.8
222.06743	6.3
223.07542	2.1
224.08357	1.7
227.24545	1.0
233.05975	2.5
233.08112	9.6
234.06747	2.3
235.07556	3.1
236.08310	2.0
237.05490	2.2
237.09114	13.3
239.07098	2.0
241.08578	1.3
246.06874	1.2
247.07552	2.6
248.08435	1.0
249.29498	0.8
250.06279	8.3
251.07037	2.4
251.10703	1.9
254.09398	3.3
264.07822	2.5
265.08600	36.3
266.09225	2.7
269.08142	2.5
269.11630	1.0
274.06235	1.3
279.10168	6.1
281.08209	1.4
282.08841	9.2
284.10413	1.3
289.08560	1.8
292.07260	1.5
293.08356	1.3
296.10605	1.1
297.11212	60.1
298.11588	1.6
306.08939	1.3
307.09647	8.5
309.07629	0.9
311.12692	5.1
321.11258	7.1
325.10706	20.1
327.12241	9.5
329.13895	1.1
339.12274	18.3
344.26294	1.2
357.09671	1.9
357.13348	41.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1333
Annotation	Acutissimalignan B
Peak:m/z	Relative Intensity
55.01882	1.9
55.05509	1.5
67.05499	2.9
69.07063	2.1
69.31261	9.1
79.05511	3.0
81.07043	3.5
91.05470	2.6
91.97365	1.1
93.07067	3.0
94.04224	3.0
95.04980	1.2
95.08615	2.1
96.66535	1.2
97.06528	2.8
98.20821	2.5
99.04514	1.0
101.06052	1.0
103.05466	3.3
105.07032	8.4
107.04979	1.2
109.02940	1.0
109.06533	1.0
115.05495	3.2
117.05531	1.4
117.07010	1.5
119.08610	2.0
121.06566	1.2
121.10155	1.9
122.03654	7.9
123.04446	1.0
129.07053	2.1
131.04900	2.4
133.06491	4.0
137.05989	100.0
138.06395	1.1
143.03934	1.0
143.04900	5.5
145.06511	2.3
146.03636	5.9
151.03915	14.9
151.05005	2.1
161.05992	36.9
161.07280	2.1
163.07570	3.0
164.66629	1.0
165.05518	1.2
165.06926	1.9
166.07797	1.6
175.07574	2.6
179.08640	1.9
187.07629	1.4
191.07086	4.3
191.08649	2.0
194.07251	5.9
203.07083	1.8
205.06566	4.7
205.08649	7.4
207.06427	1.3
207.08176	2.4
209.09665	3.0
218.07072	1.2
219.08061	3.1
219.10201	1.4
221.06047	3.4
222.06776	6.7
223.07773	1.5
224.08450	1.2
225.09091	1.3
233.06017	1.7
233.08069	11.1
234.06792	2.9
235.07733	2.3
237.05492	1.9
237.09108	14.8
241.96033	1.2
247.07648	1.5
248.08372	1.1
250.06349	7.8
251.07152	3.4
264.07904	3.4
265.08633	52.9
266.09088	1.5
269.08017	2.0
275.07040	2.0
279.10068	7.2
282.08936	2.9
292.07437	2.9
293.08188	1.2
297.11264	23.7
307.09714	7.7
325.10745	32.8
326.11172	1.3
327.12234	14.0
339.12280	10.9
357.13373	40.8
357.22589	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1181
Annotation	Juglanoside E
Peak:m/z	Relative Intensity
53.03954	5.6
57.03439	10.8
57.07078	5.6
59.05003	12.8
61.02921	1.1
65.03936	6.4
65.35358	0.6
67.05507	74.5
68.99788	0.9
69.03088	1.1
69.03435	15.2
69.07066	1.8
71.04993	15.1
71.48527	0.7
73.71099	0.6
81.03418	28.8
83.04959	1.2
85.02898	2.1
85.06561	6.4
87.00844	1.6
91.05488	1.5
91.95359	0.7
93.07027	1.0
95.04971	100.0
96.05296	1.3
97.02904	1.9
97.06532	2.4
99.04443	3.2
99.08081	2.8
101.06016	8.1
103.05455	1.0
107.04936	1.0
109.02885	9.8
109.06516	0.7
111.04442	1.2
113.06007	10.6
114.63572	0.7
115.07579	0.8
117.09128	1.2
122.67381	0.7
123.04498	1.0
125.02346	0.8
127.03920	4.8
127.07557	99.7
128.07912	0.8
131.07027	4.8
131.08557	0.8
135.04459	0.9
137.05995	6.1
139.03789	1.1
141.05475	1.2
143.07040	8.6
145.04929	1.1
145.08623	10.6
149.05956	1.0
149.09619	1.3
151.03926	2.1
157.43661	0.8
161.06012	3.0
163.03893	2.4
165.09100	1.0
173.08102	58.3
173.73923	0.7
175.07599	0.8
175.09644	1.2
177.09084	0.9
191.06987	0.9
193.08551	1.1
194.07330	0.8
195.02811	0.9
203.07056	3.8
213.03978	1.9
225.11284	2.2
233.08124	1.3
237.09081	1.0
250.06094	0.7
253.10652	4.2
265.08566	1.8
271.11746	0.8
297.11261	5.2
307.09598	1.3
312.08670	1.2
325.10675	2.0
326.11646	0.8
339.12442	1.4
341.51627	0.8
357.11700	6.1
375.13007	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	18.6
55.01868	7.5
55.05500	2.9
57.03417	3.6
61.02911	4.9
65.03922	2.1
67.01856	4.2
67.05491	5.6
68.99789	10.0
69.03434	43.9
69.07059	2.0
71.01347	4.1
71.05003	8.6
71.29638	1.9
73.02909	1.8
79.05486	6.1
81.03424	63.4
81.07025	3.6
83.01314	2.0
83.04978	7.5
85.02444	1.8
85.02911	23.2
87.00841	12.8
91.05475	5.2
93.03393	1.6
93.07048	1.9
95.01331	11.7
95.04961	8.0
95.08617	1.7
97.02902	19.6
97.06536	16.5
99.04453	16.0
103.03948	2.9
103.05450	1.9
105.01871	1.4
105.03364	2.0
105.07022	4.1
107.04963	4.1
109.02888	100.0
110.03654	4.0
111.04446	15.8
113.02348	2.8
115.03937	1.6
115.05421	2.1
117.01838	1.5
117.07075	1.6
119.04927	3.0
119.08606	1.7
121.02855	2.9
121.06514	1.2
121.10201	1.2
123.04432	17.2
125.02345	13.4
127.03925	79.3
129.01851	6.1
133.06482	3.0
135.04408	2.9
137.02322	2.3
137.05956	4.0
139.03903	6.4
143.08485	1.4
143.64975	1.3
145.04967	2.1
147.02885	3.0
147.04440	6.5
149.02303	2.0
149.05981	2.2
151.03920	19.3
155.08517	1.3
159.02881	1.7
161.06013	7.1
163.03923	4.0
165.05518	4.8
167.03410	2.0
169.04950	1.5
175.03961	2.4
181.04904	2.4
183.15201	1.3
189.03989	1.7
189.05481	6.2
191.03502	1.6
193.04980	9.2
205.04977	2.4
207.06563	3.0
213.03894	2.9
217.04988	5.3
231.04884	2.3
235.05977	8.8
243.06487	2.1
253.07147	6.0
265.08496	2.9
271.07919	7.0
297.11130	2.7
313.14246	2.0
315.12213	1.5
321.06033	1.3
325.10703	2.3
332.64392	1.2
339.07114	4.5
339.16037	1.8
357.08539	8.0
357.13177	3.8
357.17142	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	356.0767
Annotation	Aristolochic acid III methyl ester
Peak:m/z	Relative Intensity
55.03492	0.4
69.03415	0.6
70.06590	0.8
71.48309	0.7
72.93813	0.4
73.04758	0.9
79.05494	0.8
84.08148	0.6
86.09709	0.5
91.05387	0.4
91.05846	0.6
96.04517	0.4
102.04723	0.4
103.03944	0.6
104.04979	0.6
105.03406	0.7
107.04971	0.8
108.04472	0.5
109.02861	0.4
114.03412	1.2
115.99216	0.4
117.03410	0.5
123.04447	2.0
131.10661	1.4
132.04430	1.3
133.02893	1.9
135.04385	1.9
137.05994	2.9
138.05438	0.9
138.06369	0.9
143.25861	0.4
145.02779	0.8
147.04402	0.5
148.03873	0.6
148.07562	1.1
149.05937	0.4
150.03159	0.8
150.05452	2.0
151.03906	1.2
156.04442	0.5
160.03946	10.1
160.05220	0.8
162.03119	0.4
162.05469	0.8
163.03902	8.0
174.05510	1.3
175.06259	2.2
176.03372	0.7
176.06960	0.4
177.05490	0.8
178.04993	8.2
179.03340	2.0
183.45120	0.4
190.04997	1.4
190.81337	0.4
198.12610	0.4
199.06271	1.3
200.07089	1.5
201.05429	2.2
202.05865	3.6
203.03462	1.0
203.07146	0.5
212.07066	1.6
213.07802	0.6
214.08609	2.2
234.04021	4.0
234.06398	0.8
235.07135	0.4
236.07130	1.8
238.08598	1.1
240.06577	1.7
242.08078	0.8
252.06566	0.4
254.08200	1.1
263.06659	0.9
264.06711	1.3
265.07272	0.5
266.08246	1.6
278.08630	0.7
282.07712	2.6
284.09216	0.8
292.06134	0.7
293.07196	0.4
294.07721	4.0
296.05569	1.3
297.06451	0.5
297.11014	0.5
300.08588	0.5
306.08517	0.5
310.07077	7.0
310.10367	0.7
311.07886	1.6
312.08713	4.7
312.12204	0.7
323.08597	0.4
324.09479	1.0
328.08173	8.4
328.12067	0.4
329.08737	0.6
338.06500	0.6
338.10513	0.8
356.07645	100.0
357.08109	2.7
357.14398	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75645	2.7
53.03945	4.0
55.05518	26.4
56.05863	3.3
56.25660	2.8
57.03439	10.6
57.07069	11.0
67.05510	88.6
68.05845	18.9
69.07079	24.2
70.06596	3.5
71.04992	3.5
71.08621	5.4
71.10188	7.6
73.04768	3.0
79.05500	33.2
80.05829	6.8
81.07061	100.0
82.07391	15.8
83.04995	8.5
83.07719	3.4
83.08625	18.6
84.89498	2.9
85.06542	5.5
85.10193	3.7
91.05415	20.5
92.05826	4.5
93.07054	37.3
94.07388	13.2
95.04975	4.7
95.08614	71.7
95.09190	6.2
96.08960	13.3
97.06579	5.3
97.10168	16.3
99.08084	3.8
99.51220	2.9
101.06023	4.2
105.07028	16.1
105.79369	2.7
106.07334	3.4
107.08602	24.5
108.08933	9.1
109.10158	45.2
109.21008	3.5
110.10509	11.4
111.08078	4.0
111.11713	5.2
119.08594	16.8
120.08928	4.4
121.10159	30.3
122.10477	10.8
123.11694	14.3
124.12067	7.4
131.08574	8.9
132.08943	6.3
133.10156	10.7
134.10474	4.8
135.11693	16.1
136.12047	7.5
137.13261	9.5
145.10144	7.6
146.10544	4.3
147.11725	8.4
149.13266	15.1
150.13615	4.1
151.14841	4.0
159.11705	8.7
161.13278	12.0
162.13614	5.1
163.14864	11.0
165.16434	4.0
173.13211	4.4
174.13622	3.6
175.14877	4.6
201.16454	3.1
220.17894	5.6
227.17990	3.2
228.18336	11.9
245.22662	26.7
261.22214	9.0
262.22513	13.6
263.23053	40.7
286.22574	6.6
337.27222	24.6
355.27579	18.4
355.33893	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2842
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
50.25438	3.1
51.62180	3.0
55.01862	4.3
55.05512	42.7
57.03422	10.9
57.07076	15.6
66.94830	2.5
67.05500	77.1
69.06730	4.7
69.07067	51.4
70.06573	3.9
71.08610	7.2
72.58042	3.1
79.05492	31.9
81.06599	5.6
81.07055	100.0
83.04923	2.6
83.08620	31.5
85.06536	3.5
85.52520	2.8
88.07605	3.3
91.05447	23.4
93.07040	37.8
95.04998	4.3
95.08604	82.8
97.06532	9.5
97.10165	23.0
98.20690	6.0
99.08106	3.8
101.30762	2.9
105.07050	16.9
106.08620	3.0
107.08556	21.8
108.08928	2.8
109.10152	41.6
111.08090	4.3
111.11706	8.7
119.08562	16.3
121.10159	27.8
123.08069	3.1
123.11716	24.2
125.13254	2.8
127.11110	3.3
131.08546	3.4
133.10133	20.5
135.11711	17.1
137.13266	10.5
139.11122	4.0
147.11671	13.1
149.12180	2.8
149.13202	14.9
151.14812	7.9
161.13275	17.6
163.14798	12.5
165.12852	3.2
165.16374	6.4
175.14775	12.4
179.17912	5.9
189.16309	3.7
191.79932	3.2
245.22647	48.9
263.23691	49.4
332.67416	3.3
337.27365	28.1
355.28564	9.3
355.33536	3.8
356.35294	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2843
Annotation	MG(18:2(9Z,12Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
53.03946	3.7
55.05513	39.6
56.89121	2.3
57.03434	9.0
57.07076	15.0
59.31474	2.1
67.05506	81.1
69.03416	2.6
69.07069	54.9
69.64912	14.5
69.65332	4.4
70.06588	8.4
71.05000	2.9
71.08630	5.2
71.28223	2.7
73.04755	3.9
79.05495	32.5
81.07058	100.0
81.07535	5.8
83.05029	2.7
83.08615	32.9
85.10191	2.8
87.11310	2.4
87.11910	2.5
88.07609	12.7
91.05451	23.5
93.07048	33.8
95.08611	95.7
96.08963	2.7
96.87547	2.8
97.06551	12.8
97.10168	25.6
98.20820	5.0
99.08106	5.4
105.07038	19.0
107.08576	24.9
108.39485	2.6
109.10164	39.8
111.08099	5.7
111.11725	6.3
111.90851	2.8
119.08589	17.7
121.10151	33.9
123.11690	20.1
125.09642	5.2
129.05484	3.7
129.06995	2.6
133.10127	24.3
135.11700	17.6
137.09596	3.1
137.13252	10.4
147.11725	15.1
149.13274	15.3
151.11185	3.4
151.14821	8.6
161.13222	12.9
163.14839	16.4
165.16400	9.5
175.14833	9.4
189.16336	6.2
195.11772	2.9
207.17496	3.1
215.57462	2.4
223.56311	2.4
245.22646	43.9
256.07355	7.0
257.08109	5.0
263.23718	49.9
299.17920	2.6
337.27386	33.0
355.24606	18.6
355.28656	9.8
355.33939	79.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2842
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
52.41593	2.0
55.05515	34.3
56.77592	2.3
57.03440	11.8
57.07076	14.3
58.33294	2.0
62.20156	2.4
63.03158	2.1
67.05506	77.3
68.01741	2.0
69.07066	45.1
70.01188	5.5
70.01597	9.3
71.04983	4.5
71.08622	4.7
72.92313	2.7
79.05495	32.5
81.07059	100.0
83.08627	28.5
85.06551	5.0
91.05459	21.2
93.07040	26.8
93.38029	2.5
95.08608	76.7
97.06530	9.9
97.10163	17.7
98.21481	2.8
99.08084	4.4
100.44987	2.3
105.07035	17.5
106.22457	2.4
107.08602	24.8
109.10156	49.1
111.08065	4.3
111.11723	7.2
115.65083	2.2
119.08589	17.4
121.10156	30.3
123.08063	5.6
123.11700	22.0
129.05495	5.9
133.10118	14.9
135.11725	16.2
137.09595	3.6
137.13275	7.1
144.25845	2.3
147.11737	12.2
149.13278	12.3
151.14784	5.9
155.14294	2.7
157.08197	2.0
161.13251	16.0
163.14807	10.0
165.16368	5.8
175.14786	13.3
179.17891	4.0
189.16365	5.9
227.35725	2.5
245.22647	39.6
263.23734	40.9
264.07230	2.4
285.00772	2.9
335.81494	2.3
337.27374	27.9
355.28326	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.3
55.01870	13.9
55.05505	3.0
55.48440	2.7
57.03442	6.0
61.02918	3.8
67.05508	18.6
68.99799	8.0
69.03442	20.3
69.07069	9.5
71.01344	3.2
71.04996	25.8
73.04768	5.3
79.05507	18.0
81.03427	25.6
81.07067	23.5
83.04980	9.4
85.02912	33.5
85.06542	3.2
87.00837	12.0
91.05452	27.6
93.07051	26.1
95.04977	20.3
95.08614	24.2
97.02919	13.2
97.06544	8.8
99.04474	8.1
103.05473	4.6
105.07043	27.7
107.04966	11.6
107.08592	34.9
109.02889	12.0
109.06522	17.5
109.10168	13.6
111.04461	8.0
111.08064	5.1
112.74308	2.9
113.02356	4.1
117.07027	12.9
119.04947	9.5
119.08592	22.5
120.37608	3.1
121.06510	24.6
121.10149	8.1
122.07304	3.1
123.04435	8.2
123.08070	32.3
125.09628	8.2
127.03926	9.2
129.06984	5.0
130.07762	3.6
131.04939	4.6
131.08586	12.4
133.06500	8.3
133.10107	5.8
135.04416	7.4
135.08047	23.5
137.05994	30.0
137.09630	100.0
141.09134	8.3
143.08560	6.6
145.06491	7.2
145.10149	16.5
147.04463	3.7
147.08069	12.9
149.06021	6.8
149.09615	10.8
151.07565	6.6
151.11195	7.0
155.08621	4.2
159.02921	5.4
159.11699	8.6
161.05978	4.3
161.09625	10.4
163.07578	23.5
163.11238	9.0
165.05484	21.8
165.09122	19.5
167.10693	6.5
171.02982	4.1
171.08047	3.3
173.09592	20.2
175.07509	5.6
177.05502	4.8
177.09131	11.5
179.07149	5.7
179.10687	23.0
181.10085	6.7
183.10133	4.1
187.11195	10.2
189.04047	3.9
189.09117	13.0
191.10690	42.0
203.10649	4.0
205.12271	7.9
207.10156	7.4
209.09674	5.1
209.11711	7.3
215.10716	10.6
221.11670	4.1
233.11749	73.9
251.12634	33.0
314.13626	2.9
319.11798	4.8
337.12854	17.3
355.07202	3.9
355.13840	24.0
355.26227	6.9
364.66571	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.3
69.03397	1.1
69.87178	4.0
70.06599	1.9
73.04771	5.8
79.05493	1.7
84.04499	1.5
84.08152	2.4
85.02880	1.6
89.03933	8.0
91.05378	2.1
91.05801	5.7
98.20838	1.5
102.04700	2.1
103.05505	1.5
105.07021	1.3
107.04940	3.1
117.03416	10.6
119.04982	5.5
122.03648	1.9
123.04379	1.3
130.04208	1.6
133.06488	1.6
135.04434	19.7
137.05992	14.7
143.04860	1.5
145.02876	14.2
145.06453	1.3
147.04420	5.3
149.05986	3.2
158.03575	2.0
161.05951	4.2
162.06758	4.0
162.95085	2.5
163.03920	100.0
164.04224	1.2
172.03903	1.4
173.05942	2.5
175.03899	4.0
175.05934	1.7
175.07600	1.2
177.05501	3.0
189.05417	1.6
189.06984	1.5
193.04955	3.7
193.06677	1.3
201.05487	26.6
201.07211	1.7
203.06970	1.4
205.06566	3.7
206.07274	2.6
217.06609	1.7
218.07460	1.8
221.05977	1.4
231.06497	1.5
234.04063	1.2
234.06783	4.6
238.96608	1.5
245.06061	1.3
249.09099	1.8
251.07185	1.4
256.97485	4.3
262.06277	3.2
263.07141	1.9
265.08524	2.4
268.97952	3.7
277.08575	4.3
285.00919	5.8
293.08301	1.2
294.08871	1.2
305.08023	5.0
307.09818	1.9
309.11517	1.9
322.08237	1.6
323.09131	8.2
325.10675	3.1
337.10538	4.5
355.06891	3.8
355.11670	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	354.3367
Annotation	Anandamide (20:l, n-9)
Peak:m/z	Relative Intensity
53.03928	0.9
53.46750	0.6
55.05272	0.7
55.05516	9.9
56.05019	1.9
56.40482	0.6
57.05812	1.8
57.07082	13.9
58.02955	2.1
58.06603	18.5
60.04522	4.3
67.05510	8.5
69.07072	22.0
69.22528	6.5
70.02947	3.1
70.06595	7.4
71.04986	2.5
71.08636	9.2
72.04514	3.1
72.08115	1.0
73.04753	1.1
74.06087	3.6
79.05482	2.3
81.06594	1.0
81.07062	13.9
81.65303	0.7
82.06598	1.5
83.04988	1.5
83.08627	13.8
84.08149	7.0
85.06548	0.9
85.10196	4.3
86.06077	5.0
87.06856	2.2
88.07621	0.9
91.05825	0.8
93.07045	2.9
95.08616	17.7
96.08146	1.2
97.06532	1.0
97.10177	9.1
97.20975	0.6
98.09684	2.6
100.07624	1.0
105.07050	1.4
107.08582	1.1
108.08189	0.7
109.06534	1.1
109.10159	7.1
111.11729	5.3
112.07614	2.3
121.10130	1.4
123.08062	1.0
123.11715	4.4
125.13284	2.1
126.09129	0.8
135.11679	0.8
135.91339	0.6
137.13263	2.3
149.13234	0.8
163.14789	0.7
174.81569	0.8
256.12488	0.9
268.29984	1.4
285.00925	0.8
294.31519	3.9
306.31619	3.2
307.29868	3.3
308.33243	4.6
318.31598	0.7
319.30008	1.1
324.32639	0.9
326.34256	5.1
336.32632	14.9
337.31052	1.2
354.33673	100.0
355.33936	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	354.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60106	5.8
51.40821	5.4
55.05506	35.9
59.04990	7.4
60.01743	5.6
67.05501	29.6
69.07060	28.2
69.87026	31.4
71.04986	17.9
79.05482	10.5
81.07059	36.1
83.04991	32.9
85.06536	18.0
91.05478	11.6
93.07034	34.0
95.08614	19.3
98.21486	11.8
99.04451	12.3
101.06018	28.3
105.07031	34.7
107.08615	30.7
109.06541	6.0
109.10156	80.5
111.08102	6.6
119.08580	41.1
121.10134	35.8
123.08077	12.6
131.08537	8.6
133.10114	26.2
135.08022	8.3
135.11636	10.4
137.13281	7.8
143.08531	7.6
145.10114	26.6
149.13333	9.0
157.10110	20.8
159.11716	21.9
161.13280	42.3
163.11150	10.2
167.14275	7.1
171.11766	9.2
173.13319	11.7
175.11209	9.7
179.14316	68.1
199.14847	6.0
201.16353	17.4
215.17976	7.2
217.91098	6.2
219.17435	26.2
225.16351	6.3
227.17972	100.0
237.18559	7.4
241.19582	10.1
243.17441	10.4
261.18518	6.9
262.22421	9.1
267.21274	6.6
276.79810	6.1
285.22128	45.0
286.99887	5.8
303.23126	29.6
313.28784	6.7
315.36530	5.8
339.76135	6.7
354.33627	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	354.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	2.0
56.05057	1.9
57.03439	3.8
58.01948	1.9
67.05482	2.5
69.70572	3.7
69.70978	8.8
70.06576	2.6
71.05000	6.8
73.02917	4.6
77.59663	1.7
79.05549	1.7
83.04930	2.0
84.04517	5.1
85.02890	3.3
85.06554	5.7
91.05833	3.2
95.04958	5.0
98.06067	1.8
101.02379	17.2
113.06023	100.0
121.19447	1.7
123.04421	5.4
125.88210	1.8
130.05023	1.8
131.04961	2.2
131.07065	33.1
135.04414	2.0
137.06020	8.4
139.07552	5.6
157.08617	6.9
163.03949	4.9
166.76950	2.2
174.57787	1.8
175.09654	4.7
177.07925	3.3
201.05496	4.0
202.45287	1.7
213.09062	1.7
224.06895	1.8
285.00900	2.0
292.15384	3.7
326.06519	2.8
328.73965	2.5
336.17673	1.8
354.06046	6.7
354.09805	3.2
354.16791	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	354.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05410	2.2
51.87532	2.2
53.03931	5.1
55.01863	9.9
57.03429	5.5
61.02929	4.8
67.05509	5.4
69.03429	36.6
69.07068	9.7
70.07407	2.7
71.04974	4.7
71.43534	2.5
73.02921	7.4
77.23443	2.5
79.05502	7.5
81.02989	4.4
81.03420	44.4
81.07053	3.2
82.33473	2.2
83.04966	2.9
85.02909	100.0
86.09721	3.7
87.00835	38.7
91.05465	24.9
93.07058	11.3
95.04980	4.1
95.08602	7.8
97.02895	28.4
97.06519	7.1
99.04459	14.1
105.01870	68.8
105.07020	5.3
107.04955	5.4
108.04481	6.3
109.02899	24.4
117.07040	2.6
119.04941	6.0
119.08595	12.4
121.06528	4.5
123.04455	3.3
127.03933	63.5
127.32996	2.6
129.06987	4.3
135.04401	6.5
136.05206	3.1
136.06186	3.4
137.05962	44.0
137.09637	5.3
145.04962	28.9
147.04395	7.8
147.08043	4.9
159.02914	12.0
161.06026	9.0
163.03914	15.3
165.09175	14.0
175.07594	3.0
182.15508	2.8
183.10182	10.5
189.09065	3.5
231.04985	16.7
249.05943	5.0
257.11652	5.1
275.12753	7.9
284.63882	6.1
291.64783	3.7
301.14423	6.0
314.64777	4.1
315.15244	2.7
315.62546	2.5
319.15405	30.3
336.14835	3.2
336.18167	19.4
344.66943	3.0
354.14432	2.9
354.22653	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48807	2.8
53.03933	6.9
55.01876	7.0
57.03439	7.8
58.51365	3.4
61.02937	4.9
63.42107	3.0
67.05505	3.7
69.03436	43.3
71.04985	6.3
71.49242	4.3
73.02917	6.9
74.86505	3.1
79.05499	6.9
81.03420	33.6
81.07093	5.0
85.02911	100.0
87.00838	53.3
91.05477	13.7
93.07034	4.1
93.93478	3.5
97.02892	34.9
97.06563	4.3
99.04485	15.7
105.01870	66.9
107.04940	3.8
109.02911	24.2
116.17120	2.6
119.04877	4.7
119.08572	8.6
121.06452	3.8
127.03923	75.1
132.95810	3.6
135.04391	5.6
137.06004	38.0
137.09599	7.2
139.11201	7.6
145.04970	27.8
147.04347	4.9
157.06479	3.6
159.02969	14.2
161.05956	5.8
163.03906	23.5
165.09111	6.3
175.07533	10.7
175.14864	3.6
183.10124	5.3
187.07561	5.0
189.03871	4.7
189.09244	3.9
198.96904	3.2
231.04984	19.1
234.98816	4.6
275.12970	4.0
301.14780	3.3
311.13135	3.5
319.15628	18.0
336.18118	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	353.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.7
55.05321	1.2
55.05516	14.8
57.03435	6.7
57.07087	7.1
60.67508	1.5
65.03931	2.8
65.54128	1.3
67.05508	96.4
69.07075	15.6
71.04974	4.0
71.08633	1.7
77.03874	1.6
79.05498	52.1
81.07060	100.0
83.04972	2.4
83.08637	8.4
83.09039	2.0
85.06579	3.1
85.10165	2.0
91.05489	26.4
93.07050	65.9
95.04934	3.7
95.08611	75.2
97.06525	4.4
97.10147	4.6
98.21539	2.6
99.08069	3.5
105.04528	1.5
105.07033	20.6
107.08597	41.6
109.06509	2.5
109.10161	41.3
111.08096	2.3
117.07028	12.2
119.08593	16.5
121.10143	40.6
123.08085	3.4
123.11708	20.6
128.44621	1.4
131.08575	22.6
132.15268	1.4
133.10144	14.6
135.11693	27.8
137.13280	9.1
139.11201	2.8
145.10130	15.0
147.11696	12.8
149.09616	1.7
149.13252	24.8
151.14825	3.9
157.10149	1.7
159.11710	14.6
161.13272	10.7
163.11255	2.5
163.14825	18.5
165.12706	2.1
173.13264	22.9
175.14853	3.7
177.12791	1.7
177.16431	7.7
179.14301	1.7
180.20474	1.4
187.14856	11.1
191.14282	2.1
193.05000	2.5
201.16489	3.5
205.15736	1.5
233.18909	1.6
233.22607	6.3
243.21112	29.0
261.22150	95.7
262.22488	2.5
274.44818	1.4
279.23135	5.2
335.25806	10.6
353.20059	1.8
353.26880	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	353.2687
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03939	2.6
55.05514	12.3
56.59290	1.0
57.03444	7.0
57.07080	4.8
65.03934	3.3
67.05508	92.7
69.07073	13.5
69.27534	1.0
69.27814	10.1
71.04985	3.3
71.08640	2.3
75.04446	1.4
79.05497	40.3
81.07062	100.0
83.04972	2.0
83.08624	7.4
85.06541	2.9
91.05478	19.9
93.07050	48.6
95.04969	2.8
95.08614	76.5
97.06522	3.4
97.10160	3.6
99.08070	3.5
105.07041	16.8
107.08605	32.2
109.06525	1.6
109.10167	37.3
109.10930	1.8
111.08080	2.0
113.09605	2.3
117.07011	8.4
119.08604	14.9
121.06543	1.0
121.10154	29.9
123.08044	1.2
123.11722	19.0
125.09616	2.3
129.06967	1.1
131.08568	20.7
133.10139	11.9
135.08144	2.5
135.11697	26.6
137.09579	1.3
137.13232	7.7
139.11153	1.1
145.10141	16.2
147.11693	11.5
149.13263	18.0
151.14827	3.3
153.12709	1.3
155.14288	1.2
159.11696	12.9
161.13277	9.7
163.11143	1.5
163.14810	11.2
165.12791	1.8
173.13272	16.6
175.14761	2.7
177.12794	2.0
177.16364	4.1
179.14296	1.2
187.14827	9.5
191.14323	1.6
193.05017	1.7
201.16393	3.6
205.15808	1.5
215.18063	1.3
217.19562	0.9
219.17506	1.2
233.22670	3.5
243.18700	0.7
243.21098	22.7
261.22147	93.5
262.22430	2.4
279.23203	9.2
317.24747	1.9
335.25751	13.5
340.74704	1.2
353.20178	1.3
353.26868	26.4
354.27072	1.2
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	2.7
54.81958	1.2
55.01868	1.1
55.05513	14.4
57.03445	6.8
57.07068	4.7
65.03938	3.2
67.05509	100.0
69.07076	13.5
69.26197	9.6
71.04984	3.2
71.08640	2.1
75.04501	2.9
77.30325	0.9
79.05499	41.4
81.07062	94.9
83.05001	1.2
83.08607	8.9
85.06536	1.9
91.05482	19.4
93.07050	55.2
95.04987	2.2
95.08616	78.2
97.06522	1.3
97.10172	3.8
98.21540	2.4
99.08092	2.2
101.90482	1.0
104.71452	1.0
105.04535	1.0
105.07042	16.9
107.08598	31.6
109.10165	38.8
111.08060	1.3
111.11710	1.4
113.09634	1.5
117.07015	9.4
119.08588	14.3
119.11121	0.9
121.10146	30.2
123.08046	1.2
123.11720	20.8
131.08583	21.7
133.10150	13.3
135.10701	2.1
135.11700	30.8
135.89214	0.9
137.09573	1.0
137.13280	7.8
139.11177	2.2
145.10132	11.4
147.11693	10.4
149.13268	21.5
151.14836	4.0
153.12775	2.4
158.00285	1.1
159.11702	11.6
161.13266	9.7
163.11130	1.3
163.14818	10.7
165.12753	1.4
173.11923	1.8
173.13278	14.1
175.14832	2.9
177.16400	2.9
179.14330	1.3
187.14819	9.4
191.14365	1.1
201.16399	2.9
205.16011	2.3
233.22658	4.1
243.21109	23.1
261.22150	97.9
262.22656	1.5
276.47394	1.1
279.23111	6.9
282.73883	1.0
300.05038	0.9
335.25803	10.3
353.26871	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56712	1.7
53.03949	3.6
55.05517	14.5
57.03428	5.6
57.07055	4.5
62.63026	1.8
65.03930	3.7
67.05511	95.1
69.07071	14.4
71.04987	2.7
71.08626	1.8
78.56637	1.7
79.05498	52.4
81.07057	100.0
83.08611	7.4
85.06504	2.6
91.05479	26.7
93.07056	64.8
93.22665	1.6
95.04948	2.6
95.08613	76.0
97.06562	3.9
97.10149	3.5
99.08093	2.6
105.07046	21.3
107.08594	43.0
109.06528	2.3
109.09491	2.3
109.10166	33.0
117.07047	8.9
119.08600	14.7
121.10161	36.0
123.11706	22.5
127.84673	1.6
131.08594	24.7
133.10181	15.5
135.11696	27.0
137.13289	8.8
137.14215	2.1
139.63707	1.7
145.10144	17.4
147.11678	12.8
149.13260	20.1
153.12727	2.1
159.11720	15.8
160.14328	1.9
161.13243	9.2
163.14822	10.5
163.15984	1.6
173.13293	18.9
175.14751	3.0
177.16370	6.7
187.14778	8.8
201.16405	5.1
217.64195	1.7
227.19241	1.9
233.22705	5.2
243.21091	26.3
243.89764	1.8
261.22141	99.6
279.23337	5.1
327.95395	1.6
335.25806	6.4
353.26859	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	353.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08925	1.7
55.05308	1.7
55.05518	16.4
57.03436	5.5
57.07066	6.3
65.03941	2.7
67.05511	93.0
69.07089	12.0
71.04999	3.3
71.08640	2.4
71.22090	3.6
77.06783	1.6
79.05501	54.5
81.07064	100.0
83.08628	8.3
85.06548	3.4
91.05483	26.7
93.07051	71.9
95.08615	72.1
97.06565	1.9
97.10148	2.0
99.08076	4.0
105.04559	1.8
105.07046	22.1
107.08609	42.4
109.06499	2.4
109.10165	32.1
111.08090	2.5
112.87723	1.8
117.07030	11.9
119.08589	15.5
121.10151	34.1
123.11724	19.9
124.20483	2.1
131.08589	23.4
133.10144	14.9
135.11710	29.8
137.13258	9.1
137.16414	1.6
140.33148	1.9
145.10146	14.1
147.11693	9.8
149.13283	21.6
151.14867	2.8
159.11713	14.1
161.13306	9.7
163.11110	1.8
163.14810	11.9
165.12733	2.0
173.13269	18.9
175.14771	3.5
177.12761	1.8
177.16341	5.6
187.14851	9.4
201.16376	3.8
215.09206	1.7
215.17929	2.5
223.60110	1.9
233.22632	3.9
243.21077	28.1
261.22162	99.4
279.23175	4.8
292.66400	1.7
335.25748	7.1
339.44138	2.1
353.26901	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	353.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91258	14.6
67.05511	31.1
69.07068	38.8
69.37852	30.9
69.38255	100.0
80.26215	14.1
81.07028	29.5
91.05427	19.6
93.07050	19.4
95.05663	12.7
95.08619	47.2
95.95792	13.2
98.21513	31.3
105.07024	30.4
107.08587	24.2
109.10142	39.3
119.08599	44.0
121.10171	32.8
133.10139	24.8
137.05995	34.8
145.10092	18.4
157.10048	19.3
161.09688	20.4
177.16394	17.7
189.16325	15.4
200.77583	17.2
254.20306	20.8
353.14749	21.9
353.24567	34.3
353.28555	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	353.2685
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03946	2.6
55.01859	1.0
55.05272	1.0
55.05514	13.1
57.03440	6.6
57.07082	4.3
62.49540	0.7
65.03945	3.0
67.05505	100.0
69.07066	12.4
71.04984	2.4
71.08643	1.5
74.70381	0.6
75.04465	1.4
77.03923	0.9
79.05495	46.1
81.07058	96.4
83.04970	1.6
83.08630	6.2
85.06555	2.1
91.05482	20.5
91.06024	1.3
93.07046	54.8
95.04987	2.5
95.08608	72.0
97.06538	3.1
97.10154	3.3
99.08102	1.6
105.04572	0.8
105.07030	15.7
107.08599	35.8
109.06525	1.4
109.10163	39.0
111.08080	1.4
111.11657	0.8
113.09644	1.9
117.07017	8.7
117.44482	0.6
119.08588	11.9
119.51668	0.7
121.10149	28.5
123.08118	1.5
123.11710	22.0
125.09615	1.2
127.11238	0.6
129.07028	1.0
130.07816	0.8
131.08571	19.9
133.10124	11.2
135.08128	0.9
135.11697	24.6
137.09631	1.7
137.13264	8.9
139.11177	1.4
145.10136	15.7
146.57317	0.7
147.11691	11.8
149.13260	18.5
151.11168	1.0
151.14838	2.1
153.12756	1.4
159.11703	11.3
161.13242	9.2
163.14812	11.9
165.12741	1.5
173.13261	14.0
175.14867	2.9
177.12837	1.2
177.16429	4.3
179.14343	1.5
187.14838	8.7
191.14340	1.1
201.16397	2.4
205.15923	1.6
215.18005	1.2
219.17546	1.6
233.19205	0.8
233.22665	3.7
243.18530	0.9
243.21094	20.2
261.22144	84.3
262.22446	1.9
263.23633	0.8
279.23184	6.1
317.24695	1.2
335.10309	0.6
335.25781	11.2
339.25775	0.8
353.26889	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	353.0846
Annotation	7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate
Peak:m/z	Relative Intensity
56.47400	4.2
57.03436	4.2
59.47482	3.6
69.03419	5.4
69.13384	16.8
69.13792	27.4
75.96549	4.9
83.65312	4.1
85.02906	10.1
98.21485	8.2
109.76255	4.4
127.03924	7.8
143.01892	9.3
167.01920	4.6
173.03044	5.1
185.02921	6.3
245.05055	11.4
302.16476	4.6
353.04163	7.6
353.08456	100.0
356.46237	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.4
55.01867	2.8
55.05504	3.2
57.03434	2.6
57.07071	2.4
58.26907	1.2
58.36253	1.2
59.93147	1.3
61.02921	2.4
67.05479	3.6
69.03436	16.3
69.07066	14.5
70.43216	2.2
70.43551	2.6
71.04965	2.2
73.02902	2.7
79.05483	6.1
81.03420	3.9
81.07056	5.6
83.04971	7.1
85.02897	8.1
91.05499	10.4
93.07040	8.8
95.04993	2.8
95.08607	8.8
97.02892	6.1
97.06512	7.5
99.04446	3.7
105.01825	2.0
105.03378	11.5
105.07021	9.8
107.08598	30.1
109.02856	1.7
109.06537	1.9
109.10158	3.8
117.06974	1.6
119.08582	31.5
121.06470	9.5
121.10159	15.0
123.08037	3.7
127.03899	5.8
131.08577	11.3
133.10126	25.8
135.08037	17.1
135.11691	9.0
137.05972	2.8
137.09596	5.1
139.03877	1.4
143.08583	2.6
145.04922	1.4
145.10086	5.0
147.04390	2.4
147.11688	24.7
149.09624	4.6
149.13264	16.4
158.10902	3.9
159.11812	1.5
161.05989	1.8
161.09593	3.2
161.13235	1.7
163.14819	5.2
171.11694	2.2
173.13252	27.2
175.14813	23.3
178.74831	1.4
185.13226	1.5
189.12791	3.2
191.14310	100.0
192.14841	1.5
193.15822	2.4
203.14362	1.9
275.16309	2.2
287.16275	2.5
299.16425	1.8
321.07535	1.3
335.18552	5.1
353.19623	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	352.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70200	0.4
55.05507	3.9
56.05040	45.6
57.07067	1.1
58.06599	1.0
59.52189	0.3
67.05509	2.4
70.03215	2.0
72.08115	0.7
82.06573	1.9
84.04510	3.3
84.08150	34.4
86.09716	5.0
98.06078	0.7
99.97943	0.4
100.16035	0.4
105.05785	0.8
106.06542	3.1
110.70484	0.4
112.11275	0.6
127.08688	100.0
128.09093	0.9
129.96906	0.4
141.06569	2.5
147.42448	0.4
152.14516	0.5
155.11816	4.4
157.13348	0.5
169.13376	51.3
170.13737	1.1
216.27568	0.4
235.42401	0.4
246.12401	50.5
249.73973	0.4
265.98087	0.5
288.17081	87.7
289.17474	2.8
352.16824	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1689
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19298	0.6
53.03948	1.0
55.05515	9.4
56.05038	38.4
57.07072	2.7
58.06599	1.1
61.01153	1.0
62.99081	1.7
67.05496	1.5
69.36960	4.9
73.04028	1.1
79.05509	0.7
82.06577	3.1
83.07339	1.2
84.04503	1.7
84.08148	31.5
86.09702	2.6
90.27206	0.6
96.04465	1.7
106.06547	14.8
112.11301	0.8
119.05289	15.3
119.06149	0.8
127.08682	100.0
130.06860	2.1
141.06619	0.7
144.04788	1.5
148.07901	0.7
162.05865	4.8
167.30183	0.8
169.13374	41.3
192.07695	2.3
205.01419	1.5
227.18260	0.7
234.12433	5.0
246.12396	39.0
247.12363	0.7
288.17075	90.0
289.17419	1.9
334.15833	4.1
351.22925	0.7
352.16785	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.1
55.01870	6.2
57.03444	4.0
61.02927	9.1
67.05497	8.1
69.03434	40.3
69.07077	94.5
69.99613	13.5
71.04975	4.8
73.02912	9.6
79.05505	5.3
81.03432	31.3
81.07037	8.7
85.02911	92.7
85.06557	4.3
86.09687	6.1
87.00835	54.1
91.05477	10.3
93.07084	5.9
95.04998	4.0
97.02895	63.8
97.06545	6.4
99.04436	14.4
105.01879	100.0
105.07007	5.1
109.02902	31.4
109.10123	3.6
111.08025	6.6
111.65315	3.3
117.07095	5.2
126.05462	4.2
126.08857	3.2
127.03925	96.9
129.01828	6.0
129.07019	3.6
132.15691	3.4
135.11731	4.6
145.04982	68.1
151.40962	4.3
152.95634	4.3
159.02905	12.8
179.80153	3.5
189.03920	4.4
231.04996	30.7
249.06084	12.8
260.13058	4.3
331.58813	3.8
334.16684	6.3
352.21362	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	15.0
55.01862	3.8
55.05501	1.6
55.95127	0.9
56.01409	1.0
56.05033	1.0
67.05505	15.6
68.99784	1.2
69.03117	1.1
69.03436	9.0
69.07065	1.3
69.84311	4.5
79.05484	2.7
81.03421	54.6
81.07041	2.2
82.06525	1.3
85.02914	2.4
91.05482	1.3
93.05779	1.2
94.06546	3.8
95.04987	8.8
96.08136	1.4
97.02866	2.8
97.06532	1.1
108.08046	1.8
108.51579	1.0
109.02876	12.9
109.10287	1.1
110.06038	2.1
112.07587	2.0
122.06033	12.3
122.09649	1.6
124.03955	1.8
124.07582	1.8
127.03951	2.9
131.07306	1.2
136.07529	1.3
140.07079	24.5
146.09660	1.9
150.09122	3.9
152.07076	60.7
153.07387	1.1
159.06778	1.1
164.07112	1.8
164.10730	5.4
174.09117	3.7
178.08603	8.9
190.06218	2.2
192.10219	18.7
202.08675	4.5
206.08043	4.9
220.07501	1.7
220.09679	32.7
230.08141	1.6
232.07265	1.3
248.09203	100.0
249.09500	1.6
266.10269	1.3
329.03793	1.0
334.09186	7.5
352.10294	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13150	6.3
53.03939	10.7
54.33242	6.6
55.05503	21.2
57.07073	7.6
67.05506	42.9
69.07063	62.3
71.22946	14.0
71.23325	13.9
79.05487	37.7
79.51609	6.8
81.07066	58.2
82.08359	6.2
83.08622	17.6
91.05475	44.4
93.07044	51.7
95.04989	35.1
95.08613	74.5
96.65847	7.4
97.06528	11.2
100.15923	6.1
105.07027	94.3
107.08601	67.0
109.06465	9.3
109.10174	51.7
117.07015	11.9
119.07793	12.0
119.08574	100.0
121.06493	8.2
121.10151	54.2
123.11729	18.8
129.06981	16.2
131.08560	47.0
131.65959	7.1
133.10144	54.3
135.08044	21.3
135.11754	18.3
137.13281	7.5
142.07832	12.8
143.08549	26.9
145.10129	64.5
147.08051	13.3
147.11737	42.1
149.09612	13.2
149.13313	9.3
155.08629	8.7
156.09273	11.0
157.10121	47.4
159.11708	32.1
160.12163	6.9
161.09662	48.4
161.13304	15.6
163.11185	8.8
169.10214	14.2
170.10788	8.2
171.11678	32.4
173.09576	7.0
173.13319	23.8
175.11198	14.4
175.14774	16.7
177.16394	24.1
183.11667	8.7
185.13234	18.3
187.14708	9.1
189.16391	9.1
195.11642	10.1
197.13254	12.5
199.14761	12.6
201.16359	9.8
203.18033	12.4
209.13174	15.3
211.14906	10.4
238.06317	6.6
241.19569	8.7
278.03329	7.1
333.25470	9.8
351.26749	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	351.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94296	3.2
51.49578	2.8
53.03936	4.6
55.01868	7.5
55.05514	20.6
57.03437	10.3
57.07073	7.9
65.03937	6.1
66.52170	3.1
67.05507	53.7
69.07072	26.0
71.49793	4.3
71.50166	4.6
75.04424	3.8
79.05499	73.5
81.03381	3.7
81.07059	70.4
83.08614	12.0
85.06547	9.4
91.05482	63.7
93.07050	94.7
95.04964	7.5
95.08607	57.3
97.06524	8.0
97.10191	5.2
99.08073	5.1
105.07033	61.0
107.08597	53.6
109.06518	8.4
109.10158	19.0
111.04495	3.8
117.07031	16.6
119.08595	50.3
121.10156	46.0
123.08075	5.6
123.11703	7.7
124.65736	2.9
129.07022	8.3
129.08539	3.3
131.08554	24.1
133.10136	47.1
135.08093	4.8
135.11691	47.1
137.05960	13.9
143.08551	13.2
145.10127	26.6
147.08092	6.4
147.11694	57.0
149.09644	5.0
149.13260	28.1
151.11157	5.0
157.10175	13.6
159.11717	18.9
161.09630	5.2
161.13269	42.7
161.55916	3.1
163.11197	7.0
163.14842	10.5
165.12761	3.6
171.11725	18.6
173.13289	13.7
175.11099	4.3
175.14847	28.7
185.13286	21.4
199.14828	9.3
213.16402	5.5
215.18013	4.0
217.19461	6.4
231.17380	7.1
231.21049	10.7
241.19527	40.7
259.20602	100.0
265.12115	3.4
277.18030	4.7
277.21622	13.5
332.73279	3.3
333.24420	4.6
351.21307	7.4
351.25348	55.3
370.80008	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	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97786	1.4
53.03941	5.9
53.98266	1.9
55.01889	2.3
55.05514	17.8
57.03439	7.1
57.07075	3.3
65.03952	1.8
67.05508	50.7
69.07079	12.5
71.05002	4.7
71.06196	3.4
71.06522	1.6
71.08598	2.9
74.05482	1.6
75.04507	2.5
79.05497	62.6
81.07056	54.6
83.04972	2.5
83.08603	8.2
85.06539	3.8
91.05485	61.7
93.07047	79.4
95.04980	4.9
95.08607	34.0
97.06539	5.3
97.10163	3.1
99.08111	6.9
103.05505	2.3
105.07034	65.0
107.08597	41.9
109.06568	2.5
109.10156	15.9
113.09656	1.7
115.05393	1.8
117.07015	12.5
119.08585	63.0
121.10146	34.7
123.08111	3.3
123.11754	3.3
125.09667	2.3
128.06224	3.0
129.07011	10.7
131.08563	27.0
133.10139	53.8
133.71742	1.8
135.08098	3.3
135.11688	31.6
137.09657	2.3
137.13275	1.9
143.08559	10.3
145.10139	22.7
147.08006	2.1
147.11697	51.6
149.13274	20.6
151.11215	1.7
156.09390	2.0
157.10123	11.4
159.11711	20.3
161.09689	2.3
161.13260	40.2
163.11235	3.9
163.14830	5.9
165.12834	2.1
171.11676	15.2
173.13211	14.3
175.14838	19.9
177.12787	4.6
179.14351	2.5
185.13263	16.5
187.14793	4.1
189.12804	2.7
199.14859	8.9
203.14331	2.0
213.16493	4.8
215.17912	2.0
217.19591	2.4
227.85243	1.7
231.17560	2.1
231.21083	10.3
241.19507	33.3
241.21733	2.3
259.20578	100.0
260.20813	2.0
277.21609	7.4
333.24445	1.7
351.25372	57.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.5
55.01852	2.9
55.05514	19.3
56.96568	3.0
57.03428	12.0
64.73281	2.8
67.05186	4.5
67.05507	53.1
69.07078	20.5
71.04982	4.3
71.07410	6.1
71.08614	5.1
74.76881	2.4
75.04456	3.5
79.05078	5.1
79.05496	62.6
81.03416	5.1
81.07062	69.3
83.04979	4.6
83.08617	10.5
85.06522	3.8
91.05486	56.0
93.07052	93.8
95.04982	7.0
95.08612	46.3
97.06536	8.0
97.10165	4.8
99.08084	5.9
103.34702	2.4
105.07033	61.7
107.08598	51.8
109.06499	5.3
109.10165	18.3
117.07001	14.6
119.08584	52.9
120.50385	2.4
121.06483	3.6
121.10150	51.2
123.11740	3.6
125.09626	4.5
129.07004	8.5
131.08591	27.2
133.09270	3.9
133.10146	50.7
133.83531	2.5
135.08159	3.9
135.11682	51.7
143.08586	13.3
145.10117	20.2
147.08115	2.6
147.11694	46.8
149.09575	4.2
149.13271	27.0
157.10173	11.6
159.11687	20.0
161.13287	34.8
163.11121	3.7
163.14832	10.6
165.12737	3.3
169.98128	3.4
171.11679	15.7
173.13289	14.3
175.14835	25.4
178.63228	2.8
179.14281	5.9
179.30286	2.9
185.13268	15.2
187.14766	5.7
189.12740	5.6
199.14832	6.4
202.47038	3.1
203.14288	3.8
213.16347	7.0
215.17857	4.5
217.15945	2.9
217.19440	4.1
231.17381	2.7
231.21123	5.9
241.19543	37.5
245.11537	2.5
259.20602	100.0
270.47089	2.9
277.21765	14.6
333.24268	9.7
351.25443	64.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.9
55.01877	3.3
55.05515	23.4
57.03442	14.2
57.07074	5.2
64.39976	1.7
65.03952	3.4
67.05508	54.3
69.07072	15.4
71.04983	2.8
71.08638	55.8
71.09493	2.0
71.09829	3.2
79.05498	49.8
81.03419	6.9
81.07062	61.2
83.04981	13.0
83.08626	11.8
85.06556	2.9
87.93291	1.5
91.05487	35.3
93.07050	54.6
95.04991	11.7
95.08614	36.8
95.09180	2.7
97.06538	10.1
97.10175	4.8
99.08103	33.1
105.07033	18.3
107.04961	7.2
107.08591	29.2
109.06528	5.8
109.10157	14.9
111.08121	2.1
112.10637	1.5
113.09638	4.6
117.07036	5.8
119.08601	18.3
121.06577	3.4
121.10155	27.2
123.08078	3.0
123.11681	2.6
129.07027	3.1
131.08604	6.4
133.10147	12.1
135.11714	34.8
137.09639	4.1
137.13260	2.0
141.09102	4.0
143.08519	3.3
144.29390	1.7
145.10152	5.2
147.11719	9.1
149.13287	10.9
151.11209	17.9
157.10201	2.1
159.11714	2.9
161.13280	14.2
163.03896	1.7
163.11179	5.0
163.14877	3.6
165.12770	2.7
171.11800	2.7
173.13239	2.9
175.14824	3.0
177.12791	6.4
179.14326	100.0
185.13249	4.7
189.12692	2.5
191.29826	2.1
195.13828	3.0
221.15401	2.3
235.16985	4.6
241.19397	2.5
259.20602	3.5
277.21655	34.1
351.25415	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	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	4.1
53.03937	5.6
53.56137	3.2
55.01863	5.8
55.05511	29.3
57.03424	14.7
57.07062	6.7
67.05508	83.3
69.03397	3.9
69.07072	31.9
70.06588	10.8
71.04991	7.0
71.08623	14.8
79.05499	74.9
81.03391	4.5
81.07059	79.7
83.04958	5.1
83.08604	12.2
85.06541	6.9
91.05486	70.6
92.59641	3.5
93.07044	92.2
95.04956	7.4
95.07997	4.9
95.08603	61.4
97.06512	12.0
97.10194	4.3
99.08087	16.6
105.07030	72.7
107.08603	57.4
109.06524	11.3
109.10160	25.3
111.08088	6.2
115.08678	15.3
117.07018	18.2
119.08588	68.8
121.06487	7.6
121.10148	56.3
123.08041	6.1
123.11703	8.6
129.05499	4.4
129.06999	12.7
131.08607	21.7
133.10130	54.5
135.11697	38.9
137.05978	20.6
137.09685	4.2
137.13243	5.0
139.09329	4.2
143.08556	14.2
145.10110	24.6
147.08015	4.2
147.11696	39.0
149.09663	5.5
149.13260	23.6
151.11128	8.0
157.10184	10.0
158.86172	4.1
159.11734	17.9
161.09694	6.4
161.13263	64.0
163.11230	10.3
163.14845	17.2
165.12764	10.8
171.11697	23.6
173.13269	15.4
175.11259	6.2
175.14815	34.7
175.18095	3.8
177.12834	5.3
179.14264	10.6
183.11707	4.5
185.13229	14.9
187.14725	4.4
199.14873	11.3
209.38785	4.5
213.16432	9.6
215.17830	4.9
217.19522	11.4
231.17538	9.1
231.21075	11.6
235.17020	4.3
241.19510	43.5
259.20612	79.4
277.14337	4.1
277.18073	8.8
277.21600	17.1
289.21805	6.7
333.24237	8.6
351.18253	8.3
351.25464	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	2beta,3beta,4beta-Trihydroxypregnan-16-one
Peak:m/z	Relative Intensity
53.03947	1.4
55.01875	10.7
55.05316	0.9
55.05513	10.2
57.03424	1.8
57.07062	4.3
57.07322	1.1
65.03938	1.2
67.05504	21.6
69.03421	2.0
69.06741	1.5
69.07073	16.2
70.03706	3.2
71.04993	3.4
71.08620	4.4
79.05499	12.9
81.07062	28.9
83.04976	3.5
83.08612	4.8
85.06532	2.3
91.05483	11.0
93.07051	21.3
95.04975	14.4
95.08614	19.7
95.90539	1.1
97.06522	11.1
97.10165	3.0
98.21519	1.1
99.08089	3.8
101.72038	1.1
105.07030	15.7
107.08611	12.6
109.06522	61.5
109.10155	6.3
111.08068	2.5
117.07024	4.5
119.08591	14.3
121.06516	12.0
121.10148	8.8
123.08093	5.8
123.11723	1.1
129.07024	2.7
131.08568	8.7
133.10130	7.6
135.08076	7.8
135.11737	2.8
137.09599	5.3
139.11136	1.8
143.08563	1.7
145.10133	7.7
147.11710	7.6
149.09625	3.9
149.13284	2.6
151.11115	1.9
157.10139	1.5
159.11732	3.2
161.13248	4.1
163.11200	12.1
163.14803	1.6
165.12764	56.0
169.10155	1.3
171.11754	2.6
173.13278	6.6
175.11200	1.8
177.12714	1.4
179.14301	1.2
187.14822	3.0
191.14296	7.6
197.13293	1.2
201.16426	2.1
205.15869	2.7
205.59476	1.1
215.14282	1.4
221.15422	3.3
229.14409	3.1
233.15422	4.1
261.22043	7.8
271.20590	2.4
289.21634	72.2
295.19067	8.5
333.24228	4.4
351.25330	100.0
352.25638	2.1
365.11716	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95232	2.0
53.03949	5.8
55.01870	2.3
55.05511	22.6
57.03437	8.7
57.07068	4.2
65.03944	5.0
67.05507	53.9
69.07071	18.0
69.81109	8.0
69.81518	4.2
71.05011	3.8
75.49761	2.1
79.05498	70.4
81.07056	68.0
82.84333	2.2
83.08636	7.3
85.06564	5.7
87.04451	2.2
91.05486	61.2
91.06023	4.4
93.07050	99.4
93.07646	5.0
94.32973	2.1
95.04987	6.0
95.08611	41.4
97.06573	3.9
97.10191	5.2
99.08110	4.6
103.05464	3.0
105.07029	65.1
107.08600	60.7
107.09314	3.4
109.06518	10.8
109.10170	15.8
111.45185	2.0
113.09658	2.1
117.07027	12.0
119.08591	64.8
121.06540	3.3
121.10146	46.9
121.10938	3.5
123.08062	4.0
123.11743	7.3
125.09576	3.6
127.94785	2.1
128.06281	2.5
129.07014	10.3
131.08569	21.6
133.10147	56.6
135.08055	3.0
135.11702	44.4
137.09657	4.8
143.08556	10.8
145.10129	27.7
147.11699	50.0
147.12799	3.5
149.13254	27.4
149.14204	2.2
157.10143	11.0
159.11685	22.5
161.13275	38.1
163.11180	6.1
163.14903	8.9
165.12827	8.3
171.11714	17.7
172.12270	2.5
173.13249	13.3
175.11267	3.3
175.14844	21.6
177.12744	5.6
183.11797	3.0
185.13196	11.7
189.12901	3.4
195.11700	2.1
199.14911	8.5
203.14517	3.4
213.16449	4.9
217.19637	5.8
231.21181	9.0
235.14833	3.0
241.19553	38.6
246.10870	2.3
259.20596	100.0
260.20972	3.7
261.22083	2.3
273.26080	2.0
277.21692	17.3
289.21799	6.8
333.24426	6.8
351.25473	76.0
356.37927	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	351.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	1.3
70.18934	0.8
91.05487	12.2
97.06542	1.8
119.04951	29.4
130.06450	0.5
132.08119	0.3
146.06046	0.4
147.04419	100.0
148.04736	1.2
159.09193	2.5
174.93071	0.2
179.03349	0.2
184.80408	0.2
187.75481	0.2
188.07069	0.8
205.09767	0.3
333.12753	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.232
Annotation	2-Geranyl-3,5-dihydroxybibenzyl
Peak:m/z	Relative Intensity
50.66062	3.3
52.13980	3.3
53.74575	3.2
54.09756	3.3
55.01864	6.0
55.05504	10.8
57.03454	3.6
57.07077	4.4
67.05507	27.7
69.07059	13.4
71.04967	4.9
71.49163	4.5
79.05506	15.2
81.03446	3.9
81.07056	24.7
83.05002	3.5
83.08628	4.6
85.06576	3.4
91.05484	22.7
93.07041	24.7
95.04990	7.4
95.08624	31.7
97.06520	4.9
105.07043	38.4
107.04962	6.1
107.08588	29.8
109.10146	21.6
111.04435	3.9
111.08089	10.5
115.05460	4.5
117.07032	8.0
119.08603	43.0
121.06547	3.0
121.10162	39.8
123.08073	4.1
123.11733	5.8
123.24651	3.3
129.07025	7.2
131.08582	21.9
131.51759	4.2
133.10147	28.0
135.08075	5.9
135.11732	11.8
137.06009	17.3
140.64578	3.0
141.38771	3.1
142.07774	9.6
143.08589	20.8
144.09418	3.8
145.10109	29.8
147.07970	5.3
147.11682	11.6
149.13216	4.3
155.08569	15.4
156.09410	5.1
157.10139	31.7
159.08134	7.6
159.11699	26.7
161.13313	4.9
163.11234	6.7
164.98073	3.4
167.08586	6.2
168.09377	3.9
169.10147	14.9
170.10991	5.4
171.11694	16.1
173.13249	18.2
175.14914	6.5
179.08586	6.4
181.10147	13.6
183.11687	18.9
185.13289	9.2
187.11221	3.7
187.14842	12.5
189.12796	3.2
193.10139	4.9
194.10864	3.7
195.11745	17.4
196.12497	5.0
197.13156	15.3
199.14787	7.0
201.12708	3.8
207.11743	8.0
209.13219	18.9
210.13991	4.1
211.11185	6.1
211.14830	12.5
213.16321	4.4
221.13249	8.0
223.14833	8.5
225.16425	7.4
229.12494	5.0
235.14783	6.0
237.16396	9.3
239.14302	4.4
239.18021	5.3
251.17911	5.0
265.19498	10.5
277.15802	4.0
289.19388	4.1
295.16876	9.0
305.22565	6.0
323.23737	4.2
333.22113	11.4
351.23129	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03942	1.4
65.80134	0.6
67.05521	1.4
69.07064	1.3
69.35609	0.6
73.22472	0.6
79.05486	2.4
81.03422	0.8
81.07046	1.4
91.05489	14.0
93.07054	1.7
95.08607	1.5
97.06541	11.3
105.07086	1.1
109.10117	0.7
119.04951	30.0
119.08589	1.6
123.04453	0.7
131.08557	0.7
135.04442	0.8
136.53250	0.6
137.05983	2.9
138.06320	1.5
146.06041	0.9
147.04422	100.0
148.04770	1.5
151.03926	0.9
152.09436	0.6
159.09186	2.0
163.03938	1.8
178.08235	0.9
179.03433	1.3
183.95799	0.7
188.07065	0.9
211.12784	0.6
233.08119	1.3
250.75667	0.7
257.08215	0.7
275.09225	1.1
289.10840	2.1
316.16321	1.7
351.08673	1.4
351.12622	1.1
351.19928	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1189
Annotation	Cystothiazole E
Peak:m/z	Relative Intensity
55.01888	7.1
55.31505	1.1
55.93516	1.4
56.96549	1.5
57.03429	3.1
59.04990	3.6
69.03425	4.1
69.87729	5.4
69.88142	2.5
70.06588	3.5
72.93813	1.7
79.05510	1.4
81.03416	2.7
81.07026	2.0
84.04508	1.8
85.02897	5.7
86.09714	1.5
89.02310	1.6
90.09161	1.7
91.05485	1.9
97.02897	4.3
98.97612	3.5
121.06505	1.4
127.03883	3.5
130.83473	1.3
131.07021	2.7
141.07010	2.1
147.04480	3.0
147.08081	1.9
147.17393	1.4
149.05952	1.3
158.07195	1.7
159.04532	1.4
159.08075	3.3
163.03926	1.6
185.07091	1.6
186.37398	1.5
187.07480	1.6
189.09000	1.9
195.12209	1.3
198.07771	1.9
199.08682	2.8
201.06529	2.0
201.09087	1.9
204.08636	1.7
213.06680	4.0
213.10245	4.9
214.07391	4.5
215.08162	5.0
216.95877	1.4
217.06117	2.4
217.09792	2.0
219.07539	2.6
223.08604	2.5
227.08096	7.4
229.08569	6.5
231.07730	2.4
232.08488	3.8
233.09198	3.2
234.96912	24.9
234.99095	2.1
241.06064	3.0
241.09709	15.6
242.06837	3.1
243.07713	4.2
245.05598	2.8
245.09286	9.8
247.09731	6.2
248.94862	4.2
251.08093	1.7
252.97964	26.1
253.00421	2.2
255.07631	10.7
259.07196	3.0
259.10776	4.7
260.07944	5.5
260.98447	6.4
261.08716	3.0
269.09198	13.1
270.07559	1.7
271.10727	2.0
272.09158	1.5
273.08774	10.6
278.99356	6.6
287.10263	17.1
289.11884	3.0
291.09692	3.6
297.08734	11.8
298.07074	1.5
304.97516	2.3
315.06766	0.9
315.09744	47.6
333.10843	100.0
334.11221	1.8
350.98016	3.1
351.11911	90.7
352.11960	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	351.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98986	1.2
55.01870	2.7
55.05522	5.9
55.98083	1.2
57.03434	3.0
58.99588	1.1
59.05003	2.6
60.78902	1.1
69.03429	2.6
69.63417	3.0
69.63829	5.3
70.06589	2.3
71.61358	1.1
79.86338	1.2
81.03459	1.2
81.07050	3.8
83.08627	9.0
84.04508	5.3
84.08155	1.4
84.66472	1.1
87.04448	2.8
89.02301	1.3
91.05472	6.3
101.09673	2.9
102.96842	1.1
105.07037	1.3
107.04967	1.6
109.48488	1.1
115.05460	4.4
116.06199	1.4
117.07067	1.8
119.04943	2.5
123.04443	2.8
124.02343	1.8
128.06212	8.8
129.07019	6.8
131.04932	1.8
131.08578	7.1
133.10204	1.8
135.04482	1.5
137.05980	1.9
137.18745	1.2
141.07007	12.7
143.04860	1.7
143.08549	11.2
144.05725	3.1
147.04419	3.9
147.08099	1.3
152.06200	1.3
152.21725	1.2
153.07016	4.8
155.08569	10.2
157.06520	6.3
159.08067	10.1
160.05208	4.0
161.05984	7.8
163.03960	1.6
165.07004	2.4
167.08504	1.7
168.05658	2.1
169.06490	8.7
171.04398	2.3
171.08092	7.4
173.05998	9.4
174.06718	3.6
175.07588	5.4
177.05531	2.0
177.09120	2.3
181.06503	4.2
183.04529	1.8
183.08076	15.5
185.06006	1.8
187.03891	1.8
187.07555	46.2
189.05489	4.3
189.09119	100.0
190.09486	1.9
195.08046	1.5
196.05316	1.4
197.05962	3.6
199.07658	3.3
201.05409	6.3
201.09114	15.8
203.07063	6.8
204.08572	1.8
205.08676	21.8
209.06030	2.7
211.07533	28.5
213.05605	2.0
213.09090	1.2
214.06281	2.0
215.07028	10.4
219.10147	18.3
222.11690	1.6
227.07016	11.2
229.05058	2.5
229.08626	32.9
231.06512	3.6
233.08113	33.0
234.96828	2.4
237.05408	1.6
237.67609	1.2
239.07146	2.2
245.08090	5.1
247.09665	29.0
252.97946	1.8
255.06540	7.8
257.08112	24.8
259.09586	1.5
273.04752	2.4
273.07608	41.8
275.09210	5.1
278.99478	1.3
287.09131	14.6
301.07086	5.2
315.09402	1.6
319.08133	6.6
351.11731	1.3
351.19278	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.5
55.01874	2.5
55.05496	0.9
57.03446	7.5
59.04967	0.7
61.84882	0.5
66.46925	0.5
67.05503	4.3
69.03432	1.3
69.07072	26.7
69.37759	4.7
71.05012	0.6
71.34498	0.5
79.05497	13.3
81.03412	1.8
81.07054	4.9
88.41872	0.6
91.05497	2.1
93.07056	1.8
95.04967	1.3
95.08642	0.9
97.06535	100.0
98.06871	1.5
98.20792	1.2
103.04774	0.6
105.07058	1.1
105.50767	0.6
107.04958	0.8
107.08569	0.8
109.02877	0.5
109.10124	0.8
111.08073	3.9
119.08613	0.7
121.02868	10.1
121.10136	1.0
122.06025	0.8
122.09688	1.2
123.10040	0.6
127.42647	0.6
129.09125	27.6
133.10216	0.8
137.06000	1.7
145.10094	1.2
147.08096	0.6
147.11702	0.7
149.09607	0.6
150.09186	1.3
164.07056	0.6
175.11205	0.8
177.01855	3.3
205.01337	10.2
205.03123	0.9
223.02386	97.0
224.02776	1.6
233.90678	0.6
249.03874	0.7
258.48923	0.6
316.12320	0.7
333.09549	3.9
351.10764	76.8
352.11160	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.1
55.01872	2.0
55.05496	1.2
57.03444	10.2
57.66148	1.1
59.74689	0.8
61.02933	1.1
67.05489	3.1
69.03427	2.3
69.07072	24.8
69.48489	4.0
69.48895	1.5
79.05496	12.2
81.03407	1.4
81.07056	2.0
82.54125	0.8
86.11337	0.9
91.05470	1.0
93.07054	0.8
95.04929	1.4
97.06535	100.0
98.21542	1.5
103.58471	0.9
105.07016	0.9
107.04972	1.0
109.06524	1.4
110.72565	0.9
111.08085	4.0
114.41872	0.8
117.19923	0.8
121.02867	11.1
127.03924	1.1
129.09125	28.2
132.77852	0.9
137.06012	1.9
164.56985	1.0
170.12158	0.9
174.76874	0.9
177.01840	2.9
205.01306	13.1
223.02390	87.6
224.02469	0.9
254.52356	0.8
330.11487	1.3
333.09683	8.2
351.10748	69.3
352.11053	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1077
Annotation	6-[2,3-Dihydroxy-1-(hydroxymethyl)propyl]-1,2-dihydro-7-hydroxy-9-methoxy-cyclopenta[c][1]benzopyran-3,4-dione
Peak:m/z	Relative Intensity
50.01582	0.7
53.03940	1.4
55.01879	0.8
55.05519	0.7
57.03437	2.2
59.05009	1.0
61.02930	5.9
67.05508	1.6
69.07075	24.5
69.53657	0.7
71.05003	0.7
71.20868	0.6
71.29952	1.5
79.05500	12.0
79.28104	0.6
81.07057	2.2
82.30077	0.6
91.05474	0.9
95.04947	1.5
97.06548	13.4
111.08077	1.2
121.02875	8.6
129.09131	5.3
139.43141	0.6
149.02364	0.9
159.11725	0.8
166.74971	0.7
177.01839	2.2
205.01347	14.4
207.02917	2.7
221.13617	0.7
223.02397	56.0
266.23621	0.8
275.05399	1.5
301.07144	4.8
319.08105	9.7
333.09720	21.5
334.09933	0.7
351.10770	100.0
352.11264	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	351.1076
Annotation	6-[2,3-Dihydroxy-1-(hydroxymethyl)propyl]-1,2-dihydro-7-hydroxy-9-methoxy-cyclopenta[c][1]benzopyran-3,4-dione
Peak:m/z	Relative Intensity
53.03940	2.6
55.01860	0.9
55.05510	1.1
56.97150	0.6
57.03437	3.5
58.14874	0.7
61.02930	3.6
62.25207	0.6
64.86675	0.6
65.75078	0.7
67.05505	2.0
69.07072	21.5
78.44868	0.7
79.05025	0.7
79.05496	13.1
79.76451	0.7
81.03408	1.6
81.07051	2.8
91.05486	5.1
93.07046	1.4
95.04948	1.7
95.08580	1.2
97.05928	1.2
97.06536	19.9
98.21626	1.4
105.04501	1.3
105.07014	1.5
111.08063	1.6
114.78259	0.7
119.04951	7.3
119.08582	1.0
121.02876	6.6
124.29404	0.6
129.09128	8.4
133.10164	0.8
137.05971	2.4
138.06328	1.0
145.10100	0.8
147.04417	25.4
174.78423	0.7
175.18561	0.7
177.01855	2.4
177.05440	1.3
205.01335	11.7
207.02876	2.2
223.02391	42.0
229.08267	0.9
233.08084	1.6
255.06416	0.9
273.07816	1.1
275.09262	0.9
301.07031	3.4
316.16306	2.5
319.08121	8.5
333.09686	15.0
351.10760	100.0
352.11145	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	351.1055
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	8.5
63.76637	1.4
64.49887	1.3
69.03432	2.1
69.61703	4.3
69.62096	3.2
81.51042	1.5
84.08178	1.5
85.02911	3.6
97.02821	1.7
98.20847	2.0
98.97587	10.0
110.97577	2.9
112.07632	3.2
116.98637	1.6
119.01913	1.6
124.99170	4.8
128.98692	2.5
130.08717	1.8
143.00168	6.1
145.01649	1.6
157.03511	2.3
158.99721	2.9
161.01212	3.0
161.03017	1.6
163.03935	2.7
166.93747	1.5
170.99734	2.3
185.03004	1.7
186.04456	1.7
189.00693	3.9
201.00574	1.9
206.40219	1.5
207.01846	1.8
216.96024	1.7
218.39357	1.6
220.95245	1.6
221.03099	2.6
231.01762	3.6
234.96925	21.5
234.99063	5.1
235.06670	5.2
248.94846	5.2
249.02847	3.3
252.97955	24.5
253.00255	2.0
255.01678	1.7
260.98468	4.4
267.03891	3.6
273.03043	2.3
278.99420	3.3
291.03888	6.4
303.55508	1.5
304.97571	1.7
309.05182	3.2
324.13477	1.6
330.14075	1.5
333.06409	2.5
351.10550	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2326
Annotation	Acetyllycoclavine
Peak:m/z	Relative Intensity
55.05499	1.4
58.06601	0.9
58.36711	0.5
69.07066	1.9
69.72111	3.0
70.06601	3.7
79.05515	0.7
79.24014	0.5
81.07082	0.9
82.06597	0.6
84.08137	3.6
85.26034	0.5
86.06046	1.3
87.01067	0.5
91.05480	1.7
97.06530	2.6
98.06059	4.1
103.05463	3.3
105.06985	0.6
107.04941	0.9
109.02881	0.5
114.09161	1.4
115.05469	0.7
117.07026	2.7
119.08569	1.1
121.06515	1.8
123.04427	1.3
126.09184	0.7
128.06233	0.7
131.04930	5.9
131.08569	1.2
135.07988	0.6
136.07573	1.0
137.05978	2.2
143.04901	0.7
143.08449	0.6
145.06482	4.4
145.10162	1.7
147.08064	0.9
149.05988	22.8
151.07527	2.0
159.08009	1.4
160.07608	0.6
161.05980	1.1
161.09688	0.6
162.05498	0.9
162.09128	0.8
163.06274	1.7
163.07521	8.5
164.07097	3.9
165.09122	3.5
167.07016	0.9
169.10159	0.6
171.08026	0.7
173.09644	1.5
175.07643	0.6
176.07069	1.1
177.09103	1.2
185.09746	0.7
188.06998	1.2
189.07765	1.2
190.08713	1.2
191.10748	3.3
197.10320	0.7
199.11215	0.9
202.08614	3.3
205.12402	0.8
206.08101	1.9
206.15443	2.4
216.06502	0.5
217.10928	0.8
218.11765	3.6
219.13805	5.4
234.07680	1.4
234.14915	2.1
241.14633	0.8
246.14883	1.6
251.07932	1.3
256.82855	0.6
259.15610	4.4
260.20093	0.9
270.18628	1.0
288.16064	1.7
288.19568	26.6
301.07431	0.6
332.14899	1.5
332.22202	34.1
350.23267	100.0
351.11948	0.7
351.23749	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.274
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.01862	1.6
55.05518	6.4
57.03436	3.1
57.07065	2.1
67.05508	12.3
69.07071	12.7
69.13266	6.1
69.13699	8.2
71.85127	1.4
76.59174	1.4
79.05496	14.0
81.06660	1.5
81.07069	13.8
83.08651	7.0
85.30036	1.6
91.05500	8.1
93.07032	10.3
95.04984	1.5
95.08614	13.0
97.06499	3.8
105.07043	9.5
107.04908	1.8
107.08583	11.7
109.06535	12.3
109.10123	4.7
111.08086	2.7
115.78965	1.3
117.07035	2.1
119.08588	7.9
121.10171	7.5
123.08075	67.0
123.11684	2.2
129.29543	1.2
131.08574	3.6
133.10143	4.2
135.08072	5.6
135.11679	3.1
137.09633	3.4
145.10114	4.1
147.11682	4.4
149.09621	3.7
159.11621	1.6
161.13258	2.9
163.11137	2.1
175.14848	2.0
179.14317	10.8
182.01434	1.4
191.63156	1.4
201.71245	1.2
207.74234	1.4
257.19086	2.1
275.20126	9.9
293.21143	16.4
331.26404	2.7
349.27399	100.0
350.27991	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	349.2738
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.01867	0.6
55.05515	5.6
57.07062	2.1
67.05504	6.0
69.03422	0.9
69.07076	9.8
69.36313	4.6
71.04987	1.3
71.08604	0.8
73.06577	0.5
79.05494	4.4
81.07054	9.1
83.04977	0.8
83.08618	4.4
83.66546	0.5
91.05487	3.4
93.07053	8.1
95.04965	0.7
95.08610	7.2
97.06536	1.9
97.10191	0.9
98.20827	1.1
98.62370	0.5
105.07024	4.0
107.04916	0.5
107.08588	5.6
109.06523	9.6
109.10159	4.0
111.08085	2.0
114.96191	0.6
117.07065	1.0
118.84888	0.5
119.08559	4.3
121.06496	0.7
121.10160	4.4
123.08069	68.1
123.11685	1.6
125.09544	0.5
127.55118	0.5
131.08565	1.3
133.10156	3.8
135.08063	5.7
135.11696	1.9
136.08801	0.7
137.09601	4.1
137.13197	1.0
143.08536	0.7
144.05240	0.5
145.10139	1.9
147.11702	2.6
149.09612	1.8
149.13278	1.8
151.11162	0.9
159.11681	1.8
161.09627	0.7
161.13217	1.2
165.12711	1.0
167.14377	0.7
173.13220	0.7
177.12773	1.1
179.14294	11.4
183.11690	0.6
231.49077	0.5
233.18886	0.7
249.58595	0.6
275.20145	2.6
293.21115	17.2
331.26404	3.2
349.27390	100.0
350.27753	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	9.5
55.01861	3.6
55.05510	25.0
57.03437	7.6
57.07081	8.9
65.03940	5.7
67.05508	43.3
69.03419	4.6
69.07072	24.7
69.88835	16.4
71.04999	6.2
71.08630	3.2
78.55594	2.8
79.05501	46.4
81.07065	54.1
83.08610	10.4
85.81016	3.4
86.08618	3.4
91.04974	5.7
91.05487	58.4
93.07050	72.1
95.04974	30.7
95.08614	65.1
97.06535	10.6
97.70545	3.3
98.21443	3.2
103.05432	5.1
105.06326	5.1
105.07036	100.0
107.08600	66.6
109.06517	11.7
109.10162	46.4
115.05457	7.6
117.07021	17.6
119.08585	82.6
121.06498	10.1
121.10147	97.7
123.08072	10.1
123.11713	18.5
128.06233	11.3
129.07043	19.5
130.07771	9.2
131.08592	53.4
133.07645	4.0
133.10139	59.6
135.08046	14.8
135.11684	17.8
137.09650	5.5
141.06973	8.3
142.07816	19.8
143.08562	38.8
144.09337	13.3
145.10129	64.4
147.08043	8.9
147.11676	23.2
149.09659	7.8
149.13280	4.0
150.48531	3.4
155.08548	14.6
156.09392	12.1
157.10133	49.9
158.10916	5.6
159.08040	6.5
159.11690	29.8
161.09630	19.0
161.13252	11.8
167.08565	7.4
168.09341	4.0
169.10138	27.7
170.10899	7.6
171.11673	25.3
173.13330	18.5
175.14850	11.9
179.08586	11.5
179.14273	9.6
181.10161	11.4
182.10909	8.9
183.11653	19.5
184.12440	4.6
185.13260	17.7
187.14832	20.3
189.12727	3.6
193.10104	8.6
194.10927	10.9
195.11708	18.7
197.13255	18.5
199.14816	16.4
201.12849	3.6
201.16541	4.9
206.10883	3.8
207.11607	4.3
209.13213	22.6
210.14146	7.1
211.14836	10.7
213.12630	5.6
213.16338	6.3
221.13286	6.6
222.14082	4.1
223.14813	9.4
225.16351	7.8
227.14259	16.5
229.15808	4.9
235.14919	4.5
239.17935	8.2
240.18707	4.2
241.15842	3.8
246.13722	3.7
247.14844	5.0
251.17892	6.9
253.19574	6.4
263.18271	3.3
265.19324	4.7
266.20465	3.6
275.20233	4.1
281.19003	4.0
293.19135	6.1
331.24197	9.7
349.25107	76.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.8
55.01873	3.9
55.05511	25.7
57.03440	2.9
57.07072	6.4
61.08634	3.0
64.74422	3.1
65.03941	5.6
67.05245	3.0
67.05511	36.8
68.21731	2.8
69.07070	18.1
71.04989	7.8
79.05499	36.9
81.03407	3.9
81.07061	54.2
83.08617	11.3
91.05482	67.1
93.07045	87.8
95.04964	23.1
95.08603	42.0
97.06532	15.3
98.21578	4.8
103.05527	3.5
105.07036	100.0
107.08602	63.9
109.06554	16.0
109.10172	42.8
111.08044	3.0
115.05450	8.1
117.07013	17.7
119.08593	91.8
121.06498	9.0
121.10153	89.4
123.08051	12.8
123.11723	11.6
128.06235	10.4
129.07039	16.9
130.07791	8.8
131.08572	51.6
131.09526	4.7
133.10132	51.9
135.08101	16.0
135.11720	18.7
137.09608	3.9
141.06956	8.7
142.07813	14.3
143.08571	39.3
144.09363	7.8
145.10133	63.7
146.07352	3.2
147.08049	6.1
147.11728	19.0
149.09628	11.5
155.08597	11.3
156.09348	11.4
157.10123	43.3
158.10944	6.3
159.08110	5.4
159.11667	30.7
161.09601	15.9
161.13290	14.0
165.07037	5.9
167.08569	7.0
169.10126	23.1
170.10898	6.3
171.11745	23.5
173.09732	4.6
173.13278	22.9
175.11211	5.5
175.14865	13.3
179.08553	11.1
179.14336	11.7
181.10107	9.6
182.10870	4.0
183.11746	20.8
184.12453	5.0
185.09660	5.0
185.13251	16.1
187.14857	24.4
193.10130	7.2
194.10980	9.0
195.11723	13.3
197.13234	20.3
199.14822	8.9
201.16417	6.1
207.11734	5.5
209.13249	24.9
210.13814	4.4
211.14827	12.2
213.12883	5.5
213.16496	4.3
221.13293	3.8
223.14850	6.5
225.16298	6.3
227.14294	8.5
237.16415	6.3
239.18011	7.3
251.18044	6.4
253.19571	7.5
255.17439	6.4
265.19586	6.7
266.20282	5.2
275.20163	7.1
293.18976	6.2
321.25803	5.9
331.24188	5.3
349.25000	66.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	15.5
55.01880	22.5
55.05510	37.6
57.03442	25.6
63.03489	3.3
67.05510	83.2
69.03430	4.1
69.06733	4.6
69.07072	59.8
71.04976	7.4
71.10255	6.4
79.05494	79.4
81.03412	30.8
81.07060	100.0
83.05013	15.5
83.05414	3.7
83.08610	14.4
89.34710	2.9
91.05476	72.5
93.07051	69.8
95.01331	15.6
95.04971	22.1
95.08616	55.6
97.06524	38.0
97.10184	9.4
103.05428	4.5
105.07029	87.1
107.04948	44.5
107.08588	42.9
109.06516	11.7
109.10155	20.9
110.19603	3.4
111.08070	4.3
113.80949	3.1
115.05445	4.5
117.07013	29.5
119.04999	3.1
119.07790	6.4
119.08583	48.9
121.06490	7.5
121.10144	23.7
123.04385	6.8
123.08083	13.2
123.11718	3.8
125.09591	5.5
128.96437	3.2
129.07040	7.1
130.07727	4.0
131.08574	37.9
133.06470	3.6
133.10135	60.3
135.08012	10.1
135.11679	11.4
143.08617	7.6
145.06476	6.5
145.10124	24.4
147.11659	22.3
149.09621	25.1
149.13277	10.0
151.11189	4.0
153.12761	4.4
157.10156	4.6
159.08119	3.2
159.11708	28.8
161.09604	3.6
161.13283	12.1
163.11180	9.7
164.73427	2.9
169.10173	9.1
169.12199	3.6
171.11765	7.3
173.13277	7.7
177.12762	10.3
179.12996	3.4
179.14323	24.1
179.82053	3.5
187.11214	7.7
189.11278	3.6
195.49670	3.5
201.12741	3.9
229.01443	9.4
229.19434	4.8
247.20515	5.5
257.19061	12.8
275.20062	60.2
295.10019	3.6
317.13983	3.4
349.17059	4.5
349.23804	45.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.4
55.05505	4.5
56.05037	6.8
57.03436	9.7
58.99588	11.2
65.03956	1.1
69.07056	1.4
69.98756	2.1
69.99169	4.5
70.06596	2.5
72.08160	1.9
76.02235	11.9
79.05487	10.5
81.07057	100.0
84.04510	78.6
85.01108	2.8
85.02868	2.0
86.00642	7.6
86.99055	13.2
87.02698	48.9
88.04013	2.0
91.05487	3.0
97.06530	5.9
98.09697	3.3
99.08091	13.6
102.05544	2.4
105.00100	17.0
105.07070	1.5
109.06570	1.3
113.04239	1.9
119.04962	2.0
122.02732	66.8
125.05992	1.7
130.04999	16.5
132.01170	18.8
135.04395	1.6
137.05972	2.0
142.03214	6.4
149.05975	4.7
150.06331	3.7
153.05460	5.1
154.05806	2.5
156.08394	4.4
157.06781	2.1
159.04745	18.9
163.03896	2.2
164.04364	1.4
174.09465	2.6
188.03775	5.4
189.05609	1.5
195.06532	4.4
196.06886	5.5
202.08977	96.3
203.07362	31.6
203.09282	1.9
210.11284	3.3
220.10022	15.5
232.97351	4.3
234.04311	4.0
234.99124	1.6
242.08673	1.2
245.05321	1.4
246.43053	1.4
250.98470	6.7
251.07031	2.8
276.99789	1.8
286.11026	5.0
328.99295	1.3
331.13245	4.4
332.11783	5.1
349.14395	14.7
349.18277	2.5
360.17325	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2898
Annotation	Anandamide
Peak:m/z	Relative Intensity
53.03948	2.2
55.05520	13.8
57.03461	2.9
57.07080	5.7
62.06093	100.0
67.05509	27.8
67.96344	2.6
69.07069	12.4
71.22720	4.4
79.05502	22.0
81.07060	20.8
83.08627	8.1
85.06546	2.7
86.17953	2.5
88.11292	4.7
91.05481	31.1
93.07057	21.0
95.08617	25.0
96.38578	2.6
101.53404	2.4
105.07030	24.5
107.08597	17.0
109.10165	5.0
109.85853	2.7
115.61432	2.5
117.07020	8.1
119.08594	21.8
121.10146	13.4
129.07063	4.3
130.08658	4.0
131.08575	9.5
133.10121	14.4
134.74809	2.4
135.11708	9.7
140.45317	2.4
143.08549	4.9
145.10133	4.6
147.11671	8.6
149.09642	4.0
149.13242	3.6
157.10133	5.5
159.11736	3.8
161.11975	2.2
161.13293	5.7
163.14836	3.4
171.11684	6.0
175.11221	3.2
185.13286	3.7
189.12775	3.2
189.16406	6.5
203.17979	11.9
222.82626	2.5
245.22639	5.9
260.28824	2.6
269.22678	7.0
287.23630	18.5
329.63800	2.5
348.22171	2.7
348.29019	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.217
Annotation	Consabatine
Peak:m/z	Relative Intensity
55.01871	1.0
55.05505	1.7
57.03442	0.6
58.06587	0.7
67.05501	0.7
69.07060	4.4
69.86066	3.0
70.06593	5.0
74.07481	0.6
77.44389	0.7
79.05471	1.5
81.07050	3.1
84.04484	1.0
84.08138	5.5
87.18175	0.5
91.05444	0.9
93.07056	0.9
97.06528	2.4
98.06035	3.3
103.05484	1.7
105.07022	0.6
106.06536	0.7
108.45992	0.5
114.09200	1.2
115.05480	2.9
117.07006	1.3
119.08589	0.7
121.06464	0.8
123.04427	2.0
128.06213	0.8
129.06984	5.9
131.04932	3.7
131.08548	0.9
134.06001	1.0
137.05974	2.5
141.06963	1.0
143.04909	4.4
143.08588	1.9
145.06482	2.5
147.04382	2.4
147.08055	1.2
149.05972	9.5
157.06499	4.0
157.10110	1.1
160.05168	1.0
161.05980	4.2
162.05495	1.7
163.06305	26.3
163.07544	2.7
164.07076	10.5
169.10109	1.0
171.08075	2.0
171.11685	1.2
173.05907	1.5
175.07532	6.8
176.07059	1.0
177.09174	1.5
185.06299	0.6
185.09604	1.1
186.05602	0.6
187.07512	1.2
188.07059	0.9
189.07732	1.2
189.09236	0.8
190.08670	1.6
191.10698	1.3
199.11191	2.0
202.08675	2.8
203.10738	1.0
204.10258	1.2
204.13853	1.1
205.11002	2.2
206.11778	1.5
214.08606	5.3
215.10684	2.3
216.10052	0.7
217.12514	4.6
218.11806	3.1
228.10269	1.2
229.12271	2.0
230.11725	1.5
232.13333	2.1
233.10478	0.9
241.15529	0.7
242.11848	0.8
244.13385	2.0
257.14069	3.5
261.13632	0.9
268.16815	0.7
286.18027	24.9
287.18121	0.9
298.83200	0.6
303.17773	0.7
304.18069	3.6
312.19650	0.6
330.20636	61.2
331.20959	1.3
348.21704	100.0
349.22058	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77136	3.0
67.05507	5.5
69.83436	10.0
69.83849	5.4
71.04994	30.7
76.02209	2.8
79.05486	8.8
83.04994	9.1
88.03943	3.0
91.05483	25.9
93.07059	8.2
95.04974	2.8
97.06514	4.4
98.21002	7.6
105.00079	4.3
105.07076	17.8
107.04942	3.7
107.08582	6.9
115.05437	3.7
117.07023	14.5
119.08595	13.1
121.06494	12.0
121.10110	4.0
122.02738	11.3
125.05949	4.4
129.07005	9.6
130.07813	4.9
131.08565	100.0
135.04471	4.2
135.11671	4.6
135.98763	4.3
136.06189	2.9
137.06010	4.7
139.07527	3.5
143.08594	5.4
145.06459	4.6
145.10135	57.9
147.04372	2.9
147.08009	4.1
149.05980	3.3
149.09631	16.3
153.05478	5.0
155.08615	3.4
158.64130	2.8
161.09669	6.0
163.03909	13.9
163.11179	11.1
165.09164	5.2
167.52182	2.8
173.09601	15.0
179.10687	8.5
191.10692	44.4
209.11754	28.2
227.12840	4.2
234.96907	5.3
241.08952	18.7
252.97978	3.3
260.69073	3.0
292.16202	3.4
301.45084	3.0
304.14203	5.0
312.12604	4.9
313.11002	7.0
330.13617	12.8
348.14227	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	348.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
70.99955	7.2
71.04981	8.9
79.05473	8.4
91.05474	19.0
93.07022	7.0
105.07038	12.6
112.17258	3.2
117.07006	11.2
119.08575	9.8
121.06512	7.4
122.02697	5.7
131.08572	100.0
135.04436	6.3
136.06139	4.6
137.05960	5.4
139.07518	4.8
145.10114	60.1
147.04399	3.2
149.05945	4.4
149.09633	16.2
153.05389	4.1
163.03917	18.9
163.11165	10.4
165.09042	6.0
173.09589	6.1
191.10681	45.5
195.06537	3.7
209.11690	29.2
229.89821	2.8
234.96826	3.7
241.08917	21.3
294.24796	3.0
313.11090	8.9
317.68851	3.1
330.13522	12.7
348.13568	13.1
348.21332	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05801	0.4
50.21167	0.4
50.35390	0.4
55.01865	0.5
59.31473	0.4
69.03412	0.5
69.07068	1.0
70.82560	0.4
79.05489	0.7
81.07037	0.5
84.08129	0.5
86.66838	0.4
91.05496	0.9
97.06527	1.8
137.05975	1.0
147.04414	0.9
148.07593	0.5
149.05991	0.4
160.07602	0.6
162.05525	0.9
163.06329	2.5
164.07008	2.4
176.07121	2.1
177.07870	2.7
178.08626	2.3
179.05740	0.7
187.07518	0.5
188.07040	1.7
190.08673	1.5
194.08139	1.0
204.06596	6.9
204.13835	0.9
205.07333	1.0
206.08133	100.0
207.08664	1.9
216.06551	0.8
218.08058	0.9
232.06055	0.8
233.06865	6.5
234.07623	15.2
235.08133	0.4
246.07568	1.3
250.07094	3.7
251.07901	77.8
252.08661	6.4
286.11148	0.5
304.18411	1.5
320.14536	0.5
330.11920	0.5
330.20587	4.8
348.14536	7.7
348.21582	7.7
373.21628	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69601	0.5
55.05515	0.7
56.72826	0.5
71.23753	1.0
73.22143	0.4
75.39310	0.4
79.05480	0.8
83.05036	0.5
97.06521	0.9
107.04916	0.7
131.44478	0.5
137.05981	0.6
147.04355	0.5
149.05942	0.6
150.09230	0.7
161.06030	0.5
163.06281	1.8
164.07040	1.3
176.07053	1.5
177.07870	3.3
178.05005	0.6
178.08650	2.1
188.07109	1.8
190.08694	1.5
194.08092	1.0
202.08583	0.5
203.58304	0.5
204.06557	7.9
205.07439	0.8
206.08133	100.0
207.08751	2.3
209.78093	0.5
216.06633	0.8
218.08185	0.6
222.07745	0.9
228.08844	0.5
233.06836	6.6
234.07610	17.8
246.07643	1.2
250.07124	3.3
251.07901	80.8
252.08611	6.7
302.13647	0.7
303.17749	0.8
304.18118	2.4
312.10599	1.5
330.11823	2.0
330.20526	3.5
348.14618	7.1
348.21542	7.5
371.66785	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2219
Annotation	11alpha,15alpha-Dihydroxypregn-4-ene-3,20-dione
Peak:m/z	Relative Intensity
51.02391	2.6
53.03935	4.2
55.01873	7.6
55.05508	18.3
57.03426	3.7
57.07074	4.7
59.04997	7.5
61.02940	3.9
67.05507	24.5
69.03432	13.2
69.07075	13.3
70.58369	2.8
71.05003	14.4
71.06120	2.9
73.02922	3.4
79.05500	23.4
81.03409	9.5
81.06596	3.6
81.07059	40.2
81.45412	2.5
83.04960	10.2
83.08607	4.1
85.02890	5.9
85.06544	4.1
87.04465	3.2
91.05479	29.6
91.71719	3.2
92.84557	2.7
93.07048	48.8
95.01368	3.0
95.04970	18.0
95.08606	25.4
97.02878	4.5
97.06537	11.4
97.58008	2.9
98.20740	6.7
99.08074	3.2
99.79123	2.5
105.07035	46.2
107.04967	7.5
107.08592	41.8
109.06512	13.1
109.10162	22.8
111.08083	6.5
115.05450	4.6
115.90136	3.1
117.07010	9.4
119.08581	33.2
121.06518	20.5
121.10151	29.3
123.08076	32.9
123.11710	5.1
125.06002	10.2
125.09627	5.6
128.06181	2.8
129.05428	3.0
129.06999	9.4
130.07745	4.0
131.08585	29.6
133.06496	13.7
133.10141	20.6
135.08047	7.1
135.11679	7.8
137.06017	3.1
137.09595	8.9
139.07541	6.5
139.11174	10.9
139.38634	2.9
140.80424	3.0
141.06970	4.9
142.07793	6.1
143.08580	17.9
145.06525	6.0
145.10133	25.1
145.22261	2.9
147.08009	10.4
147.11679	13.8
149.09621	25.0
149.13251	3.1
151.07545	72.9
153.06973	3.6
155.08545	8.0
156.09361	8.2
157.10159	26.8
159.08061	11.5
159.11703	23.2
161.09653	12.8
161.13249	6.7
163.03897	3.6
163.11188	4.6
165.07005	3.9
165.09085	4.6
167.07095	3.4
167.08560	6.4
167.10699	16.6
169.10143	10.5
170.10902	4.3
171.07979	6.1
171.11736	22.4
173.09647	10.5
173.13232	16.6
175.07481	3.3
175.11177	5.7
177.09122	10.3
179.10622	3.4
181.10159	5.7
183.11606	13.4
185.09608	4.0
185.13258	8.6
187.11151	8.6
189.09134	6.2
189.12755	29.3
191.10632	2.9
193.10181	2.9
195.11673	6.7
197.13240	8.9
199.11205	4.5
199.14804	6.9
201.12793	6.6
201.16409	6.7
207.11885	4.9
207.13794	35.0
211.14845	4.2
213.12752	9.6
213.16446	4.1
215.14230	6.7
219.13765	3.3
221.13164	3.4
223.14822	3.7
224.66425	3.3
225.12794	17.6
225.16307	6.9
227.14442	4.2
227.17952	4.2
231.17313	4.5
233.15442	3.6
237.14844	9.6
241.15816	7.0
243.13770	11.4
243.17387	6.6
245.15340	3.6
251.17992	4.0
257.18912	3.0
259.16965	4.1
261.14902	12.7
269.19089	4.1
273.14847	8.5
287.20068	6.9
291.15765	5.5
293.19199	4.6
299.20035	4.5
303.17798	9.3
311.19992	17.0
329.21082	35.4
347.18289	33.1
347.22165	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1315
Annotation	Nordercitin
Peak:m/z	Relative Intensity
63.70892	0.4
69.69709	2.2
107.43871	0.4
117.73304	0.4
140.18826	0.4
151.73062	0.4
164.60820	0.4
176.14789	0.4
185.07834	1.3
211.16197	0.4
225.66327	0.4
260.82550	0.4
262.13303	0.4
287.10999	1.5
347.13153	100.0
348.13367	2.0
366.32455	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1238
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
55.01771	2.7
70.15453	1.5
70.15838	1.1
81.07423	0.6
82.25530	0.6
91.05394	0.8
96.39633	0.8
97.06379	2.2
110.05933	1.0
130.07990	0.7
138.05293	0.9
142.34206	0.7
147.06601	1.9
148.07066	1.1
151.50528	0.6
152.03365	1.6
154.07651	0.7
156.08072	1.1
157.07458	0.8
159.32687	0.6
160.03876	1.5
161.04610	0.9
162.05310	1.4
164.06932	0.7
167.07198	1.4
168.06610	1.0
168.08000	1.4
170.09540	0.9
171.09052	1.0
176.06895	1.6
177.07716	1.5
178.04843	2.7
178.08096	0.7
182.09473	0.8
183.09033	1.0
184.06145	1.3
184.07582	1.0
184.11101	1.0
185.07124	3.4
185.10643	1.4
186.09096	1.5
187.05026	3.1
190.29063	0.8
196.07513	0.9
197.06955	2.3
198.07697	1.7
198.09303	1.1
199.08656	8.0
199.12163	0.9
200.07121	0.7
200.09119	0.8
201.06558	4.9
201.10046	2.1
205.06007	0.8
209.10768	1.4
210.09036	2.1
211.08516	1.9
212.07051	1.0
212.09018	0.8
213.06612	9.4
213.10152	5.4
221.05798	0.7
223.08679	1.3
227.08153	10.2
227.11523	3.9
228.06378	1.1
228.10248	1.1
229.09755	4.9
230.11287	0.9
231.07692	3.4
237.10194	3.1
238.08514	2.7
239.08057	2.7
239.11703	1.3
241.09689	7.0
243.11203	0.8
245.09239	1.1
250.07280	0.7
251.08099	1.2
255.07623	14.4
255.11292	7.0
256.09665	1.1
257.09119	2.3
257.12677	1.8
259.07037	1.2
265.09750	4.3
266.08099	1.1
267.07474	2.3
268.08566	0.8
269.09192	10.5
273.08685	6.3
273.13168	0.8
274.14001	3.1
275.10257	0.7
283.07602	1.5
283.10767	25.5
283.14017	1.2
287.09933	4.3
293.09204	9.4
301.11804	3.7
302.17487	3.2
303.17847	27.0
306.18109	0.7
311.10260	50.2
319.12891	2.6
329.11310	90.9
330.11688	2.5
337.67682	0.7
347.12390	100.0
347.20041	8.8
348.12616	2.0
348.21664	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39194	0.6
55.01821	3.3
69.07041	0.8
71.49010	0.7
81.07008	1.0
91.05428	0.8
97.06490	1.4
102.44032	0.7
108.04443	0.8
108.42529	0.6
110.06000	0.7
111.17169	0.6
134.05984	1.0
137.06044	0.6
138.05443	1.0
143.08562	0.8
147.06697	0.7
152.03348	1.3
154.06392	0.7
158.09558	0.8
160.03906	2.4
161.04601	0.8
162.05453	1.5
163.06224	2.0
168.07965	1.2
170.05898	0.6
170.09616	0.8
172.07582	1.1
176.06973	1.0
177.07764	1.3
178.04942	2.2
178.08223	1.0
182.05972	0.7
183.09238	1.0
185.07033	2.2
187.05070	3.3
187.08696	0.6
196.07693	0.8
197.07068	1.1
198.07739	1.1
199.08676	6.2
201.06592	4.4
201.10205	2.2
205.06027	0.9
206.08119	2.2
209.10719	1.5
210.09160	2.0
211.08636	2.4
212.07245	0.9
212.10800	1.3
213.06612	7.7
213.10141	4.2
214.08646	0.8
215.08218	0.9
222.07742	1.2
223.08647	0.6
225.06371	0.6
227.04414	0.9
227.08189	8.5
227.11702	3.2
228.06587	0.8
229.09706	4.0
230.11365	1.1
231.02856	0.8
231.07584	3.7
236.31728	0.6
237.06483	1.2
237.10211	3.1
238.08607	2.0
239.08112	2.0
239.11855	0.9
240.10156	0.8
241.09700	5.7
243.07669	0.7
245.09227	0.9
250.07115	0.6
251.08057	2.4
255.07607	11.7
255.11264	7.1
257.09152	2.9
257.12921	1.2
259.07111	1.4
259.15323	1.9
265.09720	4.8
266.07993	1.2
267.07617	2.0
268.08170	0.7
269.09192	9.1
273.08701	4.9
273.12329	0.7
274.13885	2.2
275.13901	0.9
283.10794	20.9
285.12064	0.8
287.10376	2.9
293.09283	7.6
301.11868	4.3
302.17532	1.8
303.17865	19.3
311.10287	42.5
312.10602	1.0
319.12878	2.3
329.11340	76.6
330.11758	1.6
330.20706	2.6
347.12408	100.0
347.20221	9.3
348.12872	1.9
348.21591	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	347.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17178	0.7
56.96563	4.6
57.03440	1.0
69.03426	3.7
69.99094	3.3
72.08145	0.6
73.02901	1.2
74.55695	0.6
81.78844	0.7
82.99869	3.0
84.08162	1.2
84.96049	0.7
85.02900	4.0
85.06556	0.8
93.51214	0.7
98.97596	4.5
99.04493	0.6
101.00884	24.5
102.55963	0.6
109.02746	0.6
110.97591	1.7
112.07633	2.1
113.00875	1.8
116.98612	1.4
119.01923	22.5
121.22247	0.7
124.99126	1.1
127.03935	2.0
128.98601	1.3
130.05000	0.7
131.01863	2.6
131.14243	0.7
136.06201	1.9
137.02953	1.6
137.05981	1.2
138.05524	1.1
143.01901	100.0
144.02049	2.4
145.03586	1.0
145.04916	0.9
147.04422	0.9
153.03069	0.7
154.94170	1.1
155.01866	2.0
156.03293	1.4
158.99684	1.3
161.02957	98.8
162.03098	2.3
163.03951	3.2
170.99597	1.1
172.95290	1.1
173.01324	0.7
173.02986	2.0
174.04370	0.9
176.05148	3.6
179.03758	1.0
184.04568	2.3
185.02956	1.3
185.06537	2.1
186.04463	1.5
187.04520	0.9
190.98656	0.7
191.03986	1.4
197.06573	1.6
203.04012	48.2
204.03986	1.0
212.07112	1.4
214.08575	0.8
221.03093	1.4
221.05048	2.6
227.04053	1.6
227.07605	3.6
245.05220	1.0
249.02794	0.8
252.97807	1.1
253.03780	1.0
254.12419	0.8
263.06195	1.1
267.03708	1.0
269.08652	1.0
274.09268	0.8
284.13748	1.4
285.08810	1.2
287.09784	7.5
305.10690	1.3
347.12112	4.5
348.12747	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2638
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
55.01844	0.9
55.05501	2.7
57.03440	50.8
57.82631	0.8
61.02931	12.1
67.05508	6.0
69.07062	5.6
70.19734	2.3
70.20129	2.0
74.96474	0.8
75.04477	2.3
76.34238	0.8
79.05495	3.0
81.07063	8.2
83.08618	2.6
91.05479	1.9
93.07031	2.5
95.04971	1.1
95.08606	11.4
97.06526	1.5
97.10181	3.1
105.07038	2.5
107.08574	2.6
109.10163	5.5
111.11742	1.6
117.05495	100.0
119.04875	0.9
119.08602	1.9
121.10149	1.5
123.11726	2.0
137.05983	1.0
137.13190	1.0
139.09042	0.9
160.08383	1.5
181.03532	0.9
205.15776	1.0
211.08434	0.9
222.15723	1.2
245.47235	0.9
302.17633	1.6
305.26370	0.9
327.17825	2.2
327.25198	3.8
345.18878	11.5
345.29068	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.3153
Annotation	3beta-Cyclopentyl-5alpha-androstan-17beta-ol
Peak:m/z	Relative Intensity
53.03942	2.0
55.05508	17.2
57.07077	9.3
62.83938	0.8
64.72974	0.8
65.03910	0.9
67.05502	27.9
69.07069	27.4
71.04985	4.2
71.08615	2.1
71.49579	1.1
79.05487	12.4
81.07056	58.6
83.08617	17.7
85.06534	1.1
91.05484	9.3
93.07044	42.0
95.04969	1.2
95.08607	100.0
95.75128	0.7
97.06511	1.1
97.10164	10.2
99.08084	9.0
105.07034	12.7
107.08594	58.9
109.06550	0.9
109.10155	69.2
111.11710	3.7
113.09627	3.7
119.06061	0.8
119.08577	16.3
121.10146	55.0
123.11707	40.3
125.13233	1.0
127.11178	3.6
131.08565	2.1
133.10123	16.2
135.11693	51.1
137.09564	0.9
137.13251	31.0
139.11186	2.1
145.10121	3.4
147.11685	12.1
149.13255	41.8
151.14830	10.4
153.12740	4.5
159.11652	4.3
161.13272	12.8
163.14825	19.8
165.16406	2.3
173.13264	3.5
175.14806	8.9
177.16353	9.4
187.14877	2.4
189.16406	8.7
191.17928	14.1
201.16374	2.7
203.17976	7.6
205.19513	20.5
207.17378	1.4
215.17931	1.6
217.19516	7.7
219.21062	4.0
221.19003	0.9
229.19522	1.8
231.21053	3.4
233.22653	1.1
243.21123	2.6
245.22588	1.9
247.20731	0.9
257.22537	2.2
261.22183	1.3
271.24124	2.4
275.23737	1.1
287.27213	3.3
289.25290	2.0
302.17468	1.2
303.26669	1.7
327.30472	13.1
345.31525	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	345.1334
Annotation	Carpinontriol B
Peak:m/z	Relative Intensity
55.01877	1.4
66.26073	1.3
70.52884	3.5
79.05509	1.2
81.07035	1.8
91.05466	3.4
93.03368	1.3
94.04198	1.5
97.06518	2.4
105.07028	2.1
107.04968	1.9
109.06469	1.7
109.35132	1.2
115.05450	2.7
117.07044	1.2
120.78656	1.2
121.06522	2.8
122.03630	2.0
131.04921	2.5
133.06488	1.1
134.03619	1.7
137.05971	27.0
138.83679	1.3
142.03276	2.2
143.04915	3.5
146.03615	3.2
149.05991	7.1
151.03819	1.3
153.05489	4.3
154.07748	2.4
155.08517	1.2
160.05206	1.3
161.05978	39.6
163.07562	2.4
165.07007	16.2
167.08537	1.4
169.06653	1.1
172.62115	1.1
175.07521	5.0
178.07773	2.0
179.07008	3.4
179.08563	5.2
181.06453	3.0
182.07304	7.9
188.04669	6.0
189.06963	1.9
191.07047	2.5
193.06488	13.0
194.07239	2.5
197.05995	2.2
197.09639	3.1
199.07590	1.5
203.07016	16.4
205.08640	2.2
206.07520	1.6
207.08090	5.5
209.05957	2.0
210.06754	15.6
211.07590	3.3
213.41452	1.1
221.06010	22.7
221.07991	2.4
222.06760	2.5
223.07466	1.9
224.08307	5.6
225.05656	2.2
225.09105	25.7
227.07024	4.7
234.06810	2.7
235.07568	4.4
236.08034	1.4
236.53786	1.2
238.06230	14.1
239.06996	3.1
239.10658	3.3
241.08575	1.7
242.09532	2.0
249.09074	3.0
251.06992	2.5
252.07823	5.7
253.08617	52.6
254.09190	2.2
255.06580	3.8
267.10138	19.7
270.08786	6.4
273.13599	2.0
277.08585	7.1
280.07169	1.7
285.11200	100.0
286.11557	1.3
294.08713	2.5
295.09665	8.2
299.12704	2.7
302.17496	23.0
309.11206	13.3
312.09842	1.4
313.10620	1.6
327.12265	75.5
328.12521	1.4
345.13370	5.3
346.20105	10.8
364.50851	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1333
Annotation	Carpinontriol B
Peak:m/z	Relative Intensity
52.64914	0.9
52.66652	0.9
70.54305	3.0
79.05495	1.7
79.60394	1.0
81.06505	0.9
81.07031	1.5
91.05503	4.9
91.05995	1.1
94.77251	1.0
98.21423	1.2
98.92269	1.0
107.04946	1.3
109.06528	2.2
115.05465	2.5
119.04947	3.6
120.05235	1.3
120.25577	0.9
121.06522	3.7
122.03634	2.0
125.05990	1.1
135.04446	1.0
137.05977	30.4
143.04922	3.7
146.03606	2.2
147.04419	5.8
148.04700	5.1
149.05975	6.8
151.03923	2.0
151.07529	2.3
153.05489	3.9
154.07735	1.5
160.05188	1.6
161.05995	30.9
163.03938	3.3
164.04300	3.3
165.07016	14.1
167.08572	1.6
175.07536	6.1
178.07820	1.4
179.07080	2.5
179.08575	4.2
181.06497	4.2
182.07210	7.1
183.08014	1.6
188.04716	7.0
191.06999	2.4
191.08559	1.2
193.06477	17.3
195.08052	2.5
196.08907	1.1
197.06020	1.3
197.09634	2.8
199.07451	1.2
203.07024	15.5
205.08653	1.8
206.07312	1.9
207.08080	4.0
209.06006	2.5
210.06755	18.1
211.07523	4.9
221.05991	25.8
221.07944	2.0
222.06763	2.6
223.07489	2.4
224.08308	6.9
225.09105	31.2
227.07086	4.8
234.06773	2.5
235.07591	4.3
237.05417	2.5
238.06238	13.5
239.06992	3.2
239.10678	2.8
241.08493	1.1
242.09378	1.4
249.09113	4.1
251.07002	2.4
252.07852	5.7
253.08607	49.1
254.09279	2.2
255.06477	5.1
266.09415	1.9
267.10172	19.1
269.08200	1.2
270.08929	8.3
273.13342	1.2
277.08545	8.4
280.07315	1.7
285.11212	100.0
286.11694	2.2
294.08841	2.1
295.09656	6.9
299.12622	2.5
302.17471	6.9
309.11261	14.9
313.10602	1.7
327.12277	73.4
328.12463	1.3
332.85974	1.1
345.13251	3.5
346.20035	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47290	7.6
55.20377	7.3
56.96549	9.0
61.02921	16.8
69.03436	36.5
70.53674	12.1
70.54014	12.7
73.02910	18.7
81.03423	11.8
85.02914	76.1
91.03941	13.8
92.12212	7.3
97.02902	26.8
109.02843	8.7
112.89619	38.2
114.80600	7.1
114.89341	83.3
119.01893	10.8
124.99078	11.7
127.02431	11.3
127.03924	18.4
143.00223	18.7
143.01950	18.2
145.03441	32.1
145.04951	12.5
153.04114	7.1
155.01918	14.1
161.01241	13.1
161.02937	16.1
169.03465	13.5
171.01370	24.1
173.03020	21.0
174.04514	13.7
176.66783	8.2
182.97163	9.7
183.05000	23.0
185.02991	25.1
187.04457	8.6
189.02507	8.6
198.00670	12.7
198.98543	9.1
200.98340	25.3
203.04033	12.2
207.01309	14.3
211.04678	10.0
212.85246	16.4
214.96608	22.3
215.04034	29.9
215.54066	11.9
219.02046	57.4
221.02904	23.0
223.04605	10.8
239.03990	17.9
242.99731	11.1
245.05148	33.5
249.02402	12.0
255.07056	14.7
256.97574	67.7
264.07556	14.8
268.98160	14.9
280.97778	16.9
285.00424	10.2
298.98550	100.0
305.07019	10.4
320.96817	18.4
327.05591	18.4
345.06702	23.4
347.08237	16.2
365.09308	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	344.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.8
57.06796	0.3
57.07080	6.3
60.04533	0.4
62.06086	0.3
67.05504	1.4
68.05018	0.5
69.07061	1.0
70.06596	22.5
71.08633	3.4
72.04520	0.6
73.02908	0.5
78.13423	0.2
79.05501	0.3
81.06654	0.2
81.07056	1.4
83.08615	0.9
85.10176	1.4
88.07634	66.2
89.07960	0.2
95.08615	2.2
97.10134	0.4
98.21546	0.4
106.08672	100.0
107.09035	0.3
109.10171	0.7
118.06068	0.2
283.26324	14.0
326.30527	2.8
344.31595	16.2
345.31961	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.1
55.05499	2.5
57.03408	3.2
57.07056	1.2
67.05499	9.0
68.03189	1.0
69.03402	2.1
69.07063	11.8
70.06554	2.1
70.29910	1.8
71.04942	3.5
72.08132	1.4
79.05486	9.9
81.03390	2.5
81.07058	10.5
82.07357	1.2
82.27438	1.0
83.04932	3.0
85.02884	1.7
85.06499	1.7
86.06070	13.1
91.05000	1.0
91.05472	11.1
93.07035	8.3
95.04971	8.8
95.08613	5.6
96.08073	3.9
97.06531	36.2
98.09664	2.6
105.07024	10.6
107.04865	2.3
107.08527	4.9
109.06454	3.8
109.10083	1.8
111.08038	1.4
113.06007	2.3
115.07508	2.0
115.37788	1.1
116.10735	22.5
117.06956	3.6
118.06438	1.1
119.05969	1.0
119.08576	6.7
121.06442	2.4
121.10068	2.9
123.08083	2.4
123.11636	1.7
125.09566	2.1
128.06126	1.3
129.06937	2.6
131.08562	6.7
133.10130	6.1
135.11617	2.9
137.05991	5.8
139.11122	1.7
142.08603	1.9
143.08490	1.2
144.05583	1.4
145.10043	3.2
146.05899	2.3
147.04340	2.1
147.06708	10.8
147.07928	2.2
147.11613	3.7
148.07532	6.1
148.11090	2.0
149.13235	1.2
157.10004	3.0
159.07985	6.0
159.11603	2.9
161.05910	1.9
161.13185	3.0
163.03749	1.2
164.07027	2.1
170.82657	1.0
172.07712	1.2
173.09509	3.1
175.07431	1.5
175.14682	1.7
176.07077	16.3
176.10696	22.5
177.07721	4.6
177.09050	5.3
177.11397	2.6
177.12720	1.3
179.14174	1.3
187.07460	1.9
188.10573	1.4
189.09137	1.3
190.08533	2.0
193.12212	1.4
202.08266	1.1
202.12144	2.0
203.10655	1.7
203.14203	2.3
204.10225	10.2
205.10974	10.3
206.11652	2.9
215.10686	1.4
218.15413	5.2
221.15463	7.1
230.11601	1.1
233.11690	2.0
234.98813	2.4
246.14708	1.4
247.15521	1.3
260.12656	1.9
273.13925	1.5
300.15689	3.6
300.19089	2.0
302.17273	3.4
308.22037	2.3
315.18338	8.5
326.17239	2.7
326.23236	7.9
342.69904	1.1
344.18262	23.5
344.21979	100.0
345.22388	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29058	0.9
63.22422	0.8
65.03938	1.0
70.06575	2.2
70.77433	2.3
72.08138	2.3
81.07055	1.2
84.04524	1.0
86.09695	1.8
87.04457	3.6
89.06039	100.0
91.05473	2.8
95.04958	1.0
100.11272	0.9
103.05508	1.4
105.07029	1.0
107.07079	1.5
111.04442	1.1
114.09255	1.0
119.04942	3.3
120.08122	0.9
129.33742	1.0
131.07051	1.1
131.08571	3.4
133.08615	58.1
134.06024	1.1
135.04329	1.2
137.06006	6.8
138.06372	1.0
147.04445	8.9
149.05969	2.0
161.05991	2.7
163.03941	4.3
164.07068	1.5
166.08655	1.0
177.11244	17.5
180.52493	0.9
190.08672	3.9
195.07706	1.2
205.10995	3.7
206.06776	0.9
210.06546	1.2
218.11774	1.1
221.06134	1.3
221.13858	3.1
225.09256	1.2
228.10207	1.8
239.14888	3.3
240.10205	4.7
241.11018	1.7
253.08662	2.4
254.11682	1.6
258.11313	2.4
266.09024	1.2
267.10074	0.9
274.27069	0.9
283.17621	3.1
285.11157	5.0
297.13873	1.1
298.14395	0.9
308.10110	2.1
326.06772	1.1
326.11047	1.9
326.17410	4.8
327.12274	3.4
327.20151	24.9
344.11633	1.8
344.18585	36.5
345.18961	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.7
55.01869	0.8
55.05499	1.5
67.05511	4.2
69.07056	2.1
70.01979	2.0
79.05495	2.6
81.07056	4.9
83.08611	0.7
83.43755	0.5
91.05469	3.0
93.06494	0.6
93.07047	9.8
95.04955	0.7
98.09688	1.5
98.21441	0.6
103.05488	0.8
105.07048	3.2
107.08597	0.6
109.06500	1.1
115.05463	0.5
117.07021	7.5
119.08586	30.9
120.08938	0.5
121.06513	1.1
128.06236	1.6
129.06993	1.8
130.07806	0.5
131.08574	16.7
133.06494	0.7
133.10120	2.5
141.06982	0.6
142.07794	3.0
143.08565	23.2
144.09297	0.7
145.06465	3.1
145.10133	10.1
147.08052	1.2
147.11696	8.2
154.07771	0.7
155.08551	5.7
156.09361	1.9
157.10141	25.6
158.10788	0.7
159.08009	0.9
159.11700	6.8
161.09566	0.8
167.08588	0.6
168.09427	1.0
169.10109	2.7
170.10924	0.9
171.08159	0.6
171.11707	11.1
173.05977	4.5
173.09674	1.1
173.13307	1.0
179.08530	1.0
181.10141	1.2
183.11723	3.2
185.13271	11.2
190.08647	1.4
194.10922	1.3
197.13231	0.7
199.14839	14.9
201.09058	0.9
208.12546	0.4
209.13306	2.8
211.14754	1.2
213.16417	1.2
216.10283	2.8
226.15544	0.5
227.14359	3.1
227.17894	3.4
237.12665	0.6
237.16452	0.7
254.15407	2.0
255.13818	7.4
255.17586	1.1
270.14905	1.4
272.16464	100.0
273.16754	1.4
274.19772	0.4
283.16858	1.5
287.99573	0.5
300.19592	65.1
301.19974	0.8
338.90503	0.4
344.18564	4.3
344.22540	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	1.1
55.01865	0.9
56.96557	1.3
57.03433	1.9
60.04522	1.7
61.02911	2.7
63.52262	1.0
67.37593	1.2
69.03436	7.0
70.06562	2.0
70.50787	2.0
70.51183	2.0
71.04979	1.1
72.68308	0.9
73.02909	1.7
81.03381	3.2
85.02904	19.2
87.04463	0.9
88.02214	1.2
91.03918	1.4
91.05485	15.3
95.05031	1.3
96.04465	2.8
97.02896	7.0
98.97588	2.2
99.04424	1.3
107.04946	1.1
109.02859	3.3
112.07645	5.9
119.04945	43.6
121.06452	1.0
123.04437	4.6
127.03927	4.5
136.07581	93.7
140.05606	2.2
145.04968	3.9
147.04430	2.2
158.06636	10.5
164.07071	4.2
165.05496	10.2
165.46996	1.0
170.06578	3.0
176.07646	3.2
178.08615	3.9
182.08130	100.0
188.07639	6.1
212.07698	1.4
215.05103	1.7
224.09172	3.4
225.10851	2.8
233.06230	8.1
238.09189	7.0
251.12402	8.2
263.12439	5.2
266.08801	1.4
269.13428	3.6
281.13464	14.0
308.11121	2.3
326.12210	2.0
344.09119	2.7
344.13193	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.7
57.03428	1.1
61.02921	1.1
69.03427	4.4
69.77325	1.1
69.77726	2.8
77.25573	0.6
81.03426	1.2
85.02907	16.9
89.06050	3.3
91.05488	6.6
97.02902	3.7
98.21521	0.8
99.04445	0.8
103.20170	0.6
109.02872	1.9
109.53220	0.7
119.04949	18.6
123.04424	2.8
127.03897	3.2
133.08588	2.1
133.89101	0.5
134.26584	0.7
137.05960	0.9
145.04961	4.2
147.04416	100.0
150.79837	0.6
151.50539	0.5
165.05487	50.2
180.08652	0.8
189.46124	0.6
204.42871	0.6
207.54488	0.7
224.16324	0.7
248.86555	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.113
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38509	0.4
65.03936	1.6
70.15051	1.7
74.86329	0.4
79.05499	0.5
80.37524	0.4
89.03911	2.5
91.05486	13.6
107.04951	1.5
117.03378	3.5
119.04951	30.8
135.04433	6.0
136.07619	0.7
145.02861	4.3
147.04417	100.0
148.04805	1.2
152.07079	1.3
163.03915	25.6
177.00021	0.4
182.08136	0.5
321.79095	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	1.7
69.03427	0.9
69.82898	4.1
82.73155	0.7
84.08146	1.1
93.64260	0.9
98.06094	2.2
98.21441	1.2
112.07600	14.0
117.52332	0.8
122.04602	1.1
136.07582	2.3
140.05577	10.5
150.57033	1.0
152.05577	1.6
156.03319	1.1
158.06642	42.0
170.06647	7.0
176.07686	9.0
179.03503	0.9
186.04440	1.1
188.07692	16.7
212.07672	1.3
215.05150	20.5
225.10872	12.2
233.06209	45.2
238.09209	8.2
239.12456	1.6
243.11882	3.0
251.12439	51.4
256.07901	1.0
263.12427	32.4
266.08804	1.3
269.13498	15.6
281.13480	100.0
282.13599	1.7
284.13452	0.9
326.07281	1.2
344.08731	1.6
344.12537	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03174	0.6
56.65348	0.6
64.26135	0.6
64.30119	0.7
69.66178	3.3
73.85415	0.7
79.05480	1.6
89.03430	0.8
89.03925	9.9
91.05474	2.0
107.04962	2.5
117.03386	12.6
119.04922	2.9
135.04428	20.9
136.07581	2.5
145.01776	1.1
145.02850	14.9
147.04424	12.8
160.91068	0.7
163.03908	100.0
164.04205	1.0
165.05493	1.2
182.08109	2.1
232.79750	0.7
299.71164	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	8.0
57.07065	3.7
61.23809	1.1
63.38660	0.9
63.50307	0.9
67.05181	1.2
67.05511	17.5
69.03414	1.0
69.07071	17.4
71.04981	1.5
71.50028	1.1
79.05486	6.3
81.07057	41.2
83.04977	1.8
83.08615	7.8
91.05468	5.4
93.07048	18.4
95.04952	1.8
95.08611	52.4
97.06526	1.8
97.10159	3.2
99.08066	1.2
105.07021	8.5
107.08597	22.3
107.11851	0.9
109.06521	2.4
109.10158	38.0
111.08070	2.6
111.11710	1.6
113.09661	1.5
117.07032	1.2
119.08584	11.3
121.10146	24.0
121.11029	1.1
123.11723	22.6
125.09653	2.1
125.13279	1.1
127.07560	1.2
131.08571	3.6
133.10138	9.1
135.07985	1.0
135.11703	12.8
137.09627	22.1
137.13254	11.0
139.11191	9.8
145.10135	6.5
147.11658	8.5
149.13260	13.9
151.11188	34.5
151.14836	2.5
153.12720	2.3
155.10664	2.6
159.11717	7.3
161.13274	9.9
163.11186	2.0
163.14819	10.2
165.12759	14.4
165.16377	1.6
165.83289	1.1
167.14307	1.1
173.13275	4.2
175.14857	7.0
177.12764	2.5
177.16380	6.5
179.14297	33.7
181.15985	1.0
185.13304	1.1
187.14844	3.2
189.16434	2.9
191.14293	2.2
191.17967	4.0
193.15898	14.4
195.17513	2.5
199.14731	0.9
201.16360	5.5
203.17950	4.1
205.15944	1.9
205.19525	7.7
207.17439	9.1
213.16461	1.1
215.17960	6.8
217.19490	3.3
219.17442	11.1
221.19052	2.6
229.19553	3.4
231.21063	2.5
233.19017	17.2
235.20616	1.3
247.20613	5.3
255.21068	1.8
259.20471	1.6
261.22141	4.3
273.22101	2.0
284.26822	1.1
287.23489	1.2
325.28894	14.7
326.29166	1.3
343.29968	100.0
344.30240	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	343.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66765	2.6
55.05509	10.8
57.07060	3.7
67.05505	23.6
69.07064	22.1
69.59724	14.5
79.05486	9.2
81.07056	46.4
83.08607	9.5
91.05476	3.8
93.07059	21.3
95.08614	62.6
97.06517	3.3
97.10165	4.1
105.07020	10.4
107.08599	31.9
109.10165	46.9
111.08014	3.7
119.08591	13.3
121.10158	28.6
123.11712	25.7
125.09668	4.6
131.08551	3.6
133.10126	12.8
135.11678	16.4
137.09627	20.0
137.13254	17.1
139.11174	10.0
145.10141	5.2
147.11681	13.1
149.13246	21.2
151.11215	32.9
151.14766	2.5
159.11714	6.5
161.13269	9.0
163.11147	2.8
163.14825	14.2
165.12817	12.7
173.13382	4.0
175.14845	9.4
177.12799	4.0
177.16348	6.2
179.14331	33.9
187.14867	4.0
191.17903	5.2
193.15877	16.0
195.17432	2.7
201.16406	6.1
203.18027	3.5
205.15878	4.9
205.19502	8.4
207.17456	10.4
215.17871	4.0
217.19627	3.4
219.17485	10.4
221.19064	3.9
231.21059	5.3
233.19043	11.8
240.23227	5.7
247.20578	3.0
273.22095	3.0
297.16931	3.1
315.62576	3.0
325.28970	13.7
343.26266	11.7
343.29980	100.0
343.34235	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27364	3.2
52.59943	3.5
53.03931	3.7
55.01869	8.2
55.05510	47.0
57.03439	31.4
57.07082	36.8
58.76787	3.3
59.05003	3.2
67.05511	56.4
69.03427	6.7
69.07076	69.2
71.04990	8.7
71.08621	15.5
71.48698	6.3
79.05489	33.9
81.06317	4.2
81.07060	78.9
81.85715	4.3
83.04980	13.6
83.08627	52.2
85.06523	5.6
85.10194	8.2
91.05472	13.7
93.07043	53.1
95.05003	16.7
95.08611	63.8
97.06538	29.5
97.10168	23.5
101.05999	4.1
105.07043	21.5
107.08591	32.3
109.06563	3.5
109.10158	37.2
111.08075	14.1
111.11704	10.8
117.07020	7.4
119.08598	10.5
121.02877	15.0
121.06564	5.9
121.10146	35.0
123.08029	9.4
123.11681	18.0
125.09641	14.0
129.09137	6.0
131.08594	4.0
133.10144	7.0
135.11700	34.0
137.05965	6.1
137.09673	5.7
137.13342	3.8
139.11180	26.3
143.08519	5.3
145.10129	11.4
149.13268	18.7
151.07503	4.8
151.11313	4.3
153.12788	4.5
157.10144	7.5
159.08099	5.4
159.11729	4.6
161.06035	5.3
163.11151	9.0
163.14809	6.9
167.10701	3.9
167.14378	5.8
205.19566	33.9
215.17921	6.2
223.02386	30.7
223.20567	27.6
233.19170	4.4
240.23152	11.3
251.20139	13.9
269.20859	5.0
287.22198	77.5
325.23767	11.4
339.11179	4.0
343.11868	8.6
343.25101	100.0
348.68994	3.6
361.12836	49.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2267
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.02670	2.7
53.03940	5.5
55.01862	5.7
55.05518	16.7
57.03425	8.7
57.07064	10.6
59.04997	6.4
67.05505	33.5
69.03422	11.3
69.07063	7.4
70.40839	10.0
71.04989	17.9
78.44819	2.5
79.05490	30.7
81.07055	32.6
83.04977	6.4
85.06535	5.2
91.05477	51.0
92.82694	2.7
93.07045	83.0
93.07644	4.9
95.04969	53.7
95.08608	91.3
97.06528	20.2
103.05470	3.3
105.07033	93.6
107.04948	3.9
107.08598	68.7
109.06523	14.5
109.10166	5.6
111.08115	3.3
115.05442	8.4
116.06203	3.3
117.07014	33.2
119.06105	3.2
119.08593	38.1
121.06514	23.3
121.10142	20.6
123.08076	33.2
125.05982	4.0
128.06210	5.3
129.06996	5.3
130.07828	22.2
131.08549	11.5
133.06525	8.8
133.10109	22.5
135.08038	34.5
135.11662	20.3
137.09631	7.1
142.07779	4.1
143.08531	17.4
144.09290	2.7
145.10130	100.0
147.08075	14.3
147.11694	7.9
149.09604	6.9
151.07538	55.8
153.09094	4.4
155.08574	6.1
156.09315	4.5
157.10126	16.5
159.08064	4.8
159.11687	11.7
161.09604	14.3
161.13229	4.7
163.11195	75.3
165.09125	22.9
171.11717	6.8
173.09651	5.4
173.13292	5.7
175.11151	6.9
177.09122	8.0
179.06964	4.7
181.12207	3.1
183.11729	3.3
185.13257	4.2
187.11180	7.6
189.12773	12.4
191.14294	4.8
195.11610	4.9
197.13306	5.6
201.12733	2.8
203.14325	11.3
207.10123	4.9
207.13869	8.4
209.13457	2.9
209.15257	5.6
215.14346	4.9
221.13365	4.8
221.15338	33.8
225.12749	3.8
233.15295	6.1
241.15826	3.5
263.16360	7.4
265.19690	3.3
269.15317	6.0
272.16431	13.5
283.06076	3.0
286.19165	7.5
300.19598	11.6
307.20551	4.4
325.21594	13.3
343.22659	87.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.8
55.01872	4.0
55.05510	21.2
57.03442	11.8
57.07076	11.9
59.04999	6.3
67.05187	2.9
67.05512	31.1
69.03419	9.0
69.07056	8.4
71.04998	19.4
75.11749	2.1
79.05498	28.3
81.07059	34.4
83.04972	7.4
83.08607	3.1
85.06528	6.5
91.05491	44.7
93.07048	84.7
95.04973	65.2
95.08611	91.3
97.06528	19.1
103.05461	4.8
105.07035	100.0
107.04958	4.6
107.07883	4.0
107.08600	64.3
109.06520	16.8
109.10144	7.3
111.08102	3.6
115.05444	6.7
117.07023	37.7
119.04932	2.9
119.08581	31.8
121.06518	19.7
121.10168	19.5
122.07276	2.9
123.08072	26.9
125.05993	4.1
128.06233	6.0
129.07008	7.7
130.07776	18.2
131.08560	9.2
133.06480	4.5
133.10120	15.8
134.02455	2.1
135.08064	27.4
135.11679	15.9
137.09605	6.7
137.18445	2.4
141.07031	2.7
142.07773	4.0
143.08578	12.4
145.06435	2.5
145.10133	90.5
147.08034	14.6
147.11711	3.8
149.09566	4.4
151.07558	48.7
151.08710	1.6
153.09200	3.6
156.09293	3.2
157.10109	10.3
159.08054	4.0
159.11684	10.7
161.09695	11.7
161.13239	6.8
163.07538	3.0
163.09872	4.9
163.11183	72.8
165.09123	21.3
169.10229	3.7
171.11722	7.2
173.09624	4.7
173.13226	4.4
175.11169	6.2
177.09114	9.3
179.07051	5.6
179.10709	2.7
181.12141	4.7
182.10921	3.2
183.11606	3.5
185.13194	5.3
187.11215	7.1
189.09114	2.4
189.12796	11.4
191.10669	4.3
191.14383	5.3
195.11688	2.9
197.13287	4.4
201.12750	3.3
203.14357	13.1
207.09987	4.2
207.11833	2.4
207.13811	6.4
209.15347	3.9
215.14406	4.5
217.12259	3.9
221.13353	4.6
221.15346	38.6
222.85510	2.2
223.14775	3.2
233.15401	4.1
240.23239	3.5
241.15926	4.1
263.16296	10.7
269.15530	3.8
274.19427	4.1
286.19244	4.9
325.21695	10.2
343.22662	84.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2268
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03939	7.2
55.01875	4.4
55.05510	17.9
56.04819	2.4
57.03424	11.3
57.07071	5.7
59.05010	4.6
65.03907	2.6
67.05508	26.3
69.03423	11.9
69.07058	5.7
70.62035	2.5
71.04988	21.8
71.21801	5.3
79.05505	25.6
81.03416	4.2
81.07052	35.8
83.04979	6.1
83.08632	5.1
85.06552	6.4
91.05487	32.3
93.06492	5.2
93.07047	70.4
95.04972	64.8
95.08610	77.4
97.06522	18.1
103.05430	3.7
105.07034	86.2
107.04977	4.4
107.08593	64.7
109.06519	15.9
109.10159	4.7
115.05463	10.0
117.07014	29.2
119.08576	30.1
121.03107	2.4
121.06512	17.5
121.10150	17.2
122.00433	2.4
123.08060	22.3
125.05981	3.9
128.06212	2.8
129.06996	6.3
130.07800	16.8
131.08560	11.4
133.06516	4.8
133.10144	19.6
135.08049	25.0
135.11690	15.5
137.06013	4.1
137.09581	4.1
142.07845	3.0
143.08546	10.8
144.09273	3.2
145.10129	90.6
147.08043	18.1
147.11673	6.4
149.09628	7.9
151.07545	49.5
153.09084	4.8
155.08546	3.3
157.10098	5.7
159.08029	3.4
159.11679	11.9
161.09628	7.4
161.13297	4.3
163.11197	63.7
164.43628	2.6
165.09143	20.6
171.11693	5.3
173.09546	3.5
173.13245	4.3
175.11140	7.8
177.09146	8.9
179.07060	6.1
179.10631	3.3
181.10063	3.3
183.11748	3.4
187.11197	5.9
189.09175	2.9
189.12759	12.8
191.14351	5.9
197.11679	2.9
197.13327	4.2
203.14339	10.7
207.13860	8.8
209.15210	4.5
211.14755	3.1
221.13354	4.5
221.15349	40.1
223.14857	3.3
233.15459	4.8
241.15701	4.0
263.16379	5.8
275.66211	2.6
276.15228	2.6
286.19205	3.6
313.91925	2.7
325.21521	13.3
343.22687	100.0
344.22714	3.1
353.89328	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2269
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03934	4.0
55.01878	4.6
55.05500	17.7
57.03426	10.5
57.07078	7.6
59.04996	7.5
62.61412	3.8
67.05505	34.3
69.03417	11.9
69.07073	8.0
70.93922	6.4
70.94281	6.7
71.05000	22.5
72.45121	4.6
79.05495	32.8
81.07061	34.8
83.04982	7.5
85.06561	7.2
91.05482	52.4
93.07049	100.0
95.04971	64.8
95.08614	91.3
97.06520	16.6
105.07043	89.9
107.08601	65.3
109.06498	19.6
109.10127	4.4
111.08116	4.2
115.05464	8.5
117.07008	37.0
119.08586	31.9
121.06514	20.9
121.10163	19.9
123.08073	39.0
125.05993	5.2
128.41452	3.6
129.07034	7.3
130.07816	18.6
131.08572	9.7
133.06488	4.3
133.10106	22.8
135.08049	25.6
135.11673	16.5
137.06023	5.8
137.09613	9.6
139.11143	6.6
143.08562	17.0
145.10129	96.7
147.08035	15.1
148.62077	3.8
149.09627	7.4
151.07550	53.9
153.09090	5.0
155.08519	4.2
157.10114	14.7
159.08006	5.2
159.11728	11.4
161.09512	8.1
161.13277	5.0
163.11201	75.5
165.09186	27.1
169.10022	6.9
171.11658	5.9
173.09677	8.6
173.13242	6.5
175.11230	8.5
175.14851	4.8
177.09114	8.6
183.11707	5.4
185.13260	3.7
187.11189	9.2
189.12750	15.7
191.14316	7.4
197.13272	6.9
203.14302	13.8
207.13850	9.5
209.15427	4.3
215.14363	4.6
221.15405	33.3
233.15445	5.6
241.15752	4.6
263.16302	8.6
269.15182	4.6
286.19193	5.5
325.21695	16.9
343.22681	90.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75132	2.2
55.01870	3.3
55.05509	2.8
57.03419	6.8
58.99583	5.4
67.05505	4.8
67.41840	2.3
69.34492	4.9
69.34899	15.4
69.46970	2.3
76.21796	2.1
79.05486	8.7
80.05025	4.1
81.07045	15.6
81.92329	2.2
84.04494	6.0
84.11716	2.4
86.99048	2.8
89.68966	2.6
91.05492	13.1
91.37295	2.7
93.07047	3.7
95.04967	5.1
95.08611	4.0
96.04529	3.1
99.08110	3.6
99.49863	2.7
103.05470	18.3
105.07032	7.3
107.04946	9.3
109.06514	3.2
114.03718	3.1
115.05468	14.5
116.01692	10.7
117.07021	7.3
119.04964	5.7
121.06464	2.9
122.03669	3.5
129.07024	4.3
130.04126	2.8
131.04929	30.8
133.06503	3.9
135.08037	4.1
137.05994	67.6
141.06796	11.0
142.03227	21.7
144.01146	5.9
145.06444	3.0
146.03624	18.3
147.04396	8.1
147.08044	7.5
149.05952	4.9
151.07591	18.5
153.07097	3.1
160.05194	5.1
161.05992	90.4
162.02219	14.4
162.06781	5.1
163.07565	64.2
165.07031	5.5
166.07851	3.0
167.08580	2.9
169.06529	10.2
170.02728	6.2
170.08217	3.0
174.06776	4.1
175.07559	88.8
177.05513	4.8
177.06969	4.9
177.09146	21.4
178.07770	4.9
179.08543	9.5
181.06532	7.6
186.06714	4.2
190.07762	9.9
192.09552	2.3
193.06488	2.6
193.08548	4.9
194.07210	11.9
195.08040	8.7
197.06000	3.7
201.09071	12.3
203.08588	3.9
204.09364	2.6
205.06474	13.9
205.10132	11.1
206.07069	2.6
207.08015	12.6
208.08736	3.6
209.05989	6.0
209.09641	5.3
211.07587	4.7
215.08635	3.2
218.07283	7.0
219.08156	6.0
219.10013	15.5
221.05951	9.6
221.09695	3.7
222.06848	13.9
223.07571	8.4
224.08257	7.1
225.09071	7.2
227.07008	3.8
231.08115	2.8
232.08844	3.6
233.06001	11.0
233.09634	28.1
234.06718	7.1
234.10420	4.9
235.07568	14.2
236.08304	7.2
237.05368	6.1
237.09146	24.4
239.07004	6.5
239.10678	10.1
240.07841	7.6
241.08496	7.3
249.09134	4.6
250.06337	11.8
250.09909	11.5
251.07036	13.7
251.10548	2.6
252.07791	8.9
253.08691	6.4
254.09393	9.1
255.06667	2.8
255.10039	5.1
260.08307	3.8
261.09125	20.2
262.09964	3.6
263.07013	4.8
264.07901	6.1
265.05939	4.6
265.08627	49.3
265.12228	18.6
266.09158	3.1
267.06619	4.2
267.10147	20.3
268.07382	15.1
269.08084	22.2
269.10858	3.5
270.69177	2.6
278.09320	10.9
279.10175	4.8
281.08121	5.6
282.08969	11.9
283.09671	34.0
283.12805	3.8
284.10526	15.2
293.11710	42.6
294.12390	3.7
295.09616	10.4
297.11252	86.0
297.14386	3.6
298.11545	3.3
299.12799	100.0
310.12012	12.3
311.09241	5.5
311.12753	41.8
325.10733	9.1
325.14352	33.4
343.11642	13.7
343.15396	37.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1541
Annotation	Jamesoniellide D
Peak:m/z	Relative Intensity
51.87940	1.1
53.03945	1.6
55.01873	4.2
55.05512	4.8
57.03437	1.5
65.03925	1.3
67.05513	5.4
68.99826	1.1
69.07076	5.2
71.05003	1.6
71.48951	1.9
76.45705	1.1
79.05505	6.6
81.07064	8.4
83.04953	1.3
83.08614	3.5
84.08215	1.4
85.06512	1.3
91.05478	5.7
93.07037	5.4
95.04943	1.9
95.08607	8.8
97.02878	1.3
97.06532	2.6
97.10172	1.7
103.05471	10.3
105.07041	16.1
106.06573	4.8
106.17167	1.1
107.04961	2.3
107.08621	2.7
107.43801	1.3
109.06503	3.3
109.10160	3.6
111.00794	1.3
112.95776	1.0
115.05456	6.1
117.07007	1.7
119.04946	1.9
121.06524	1.1
121.10181	2.5
122.03709	1.6
123.11684	1.1
129.06992	1.8
131.04918	9.3
133.06494	9.4
133.10188	1.5
133.15816	1.0
135.08096	1.2
135.11690	1.5
137.05981	24.7
141.07034	1.5
143.06017	1.3
145.06490	1.5
146.03659	9.3
147.04428	2.9
147.11655	1.1
149.05977	1.5
151.07568	6.0
153.07019	1.2
159.11714	2.0
160.05238	1.8
161.05994	100.0
163.07576	17.6
165.06981	2.8
166.07823	2.8
169.06523	3.0
173.06096	1.5
173.09700	1.5
174.51389	1.5
175.07564	37.0
177.05562	1.2
177.06915	1.4
177.09213	1.6
178.07861	3.0
179.08607	4.5
181.06479	2.0
181.10172	1.6
187.07587	1.9
189.07018	2.3
190.07799	4.8
191.08536	1.9
193.06532	1.7
194.07266	9.2
195.08037	3.0
197.06140	1.3
197.09538	1.9
201.09128	2.5
203.08580	2.8
204.09364	1.9
205.06589	6.1
205.10152	8.4
206.07352	1.9
207.08055	8.8
208.08868	1.8
209.05983	1.5
209.09674	4.5
210.06754	1.5
211.07640	2.2
215.08607	4.5
218.07373	5.1
219.08023	5.1
219.10039	1.4
221.05954	7.0
221.09534	2.6
222.06763	8.8
222.10289	1.4
223.07634	3.2
224.08366	5.4
231.08089	2.2
232.08888	4.4
233.05977	3.3
233.09586	12.7
233.19092	2.4
234.06743	4.2
234.10417	3.5
235.07558	10.0
236.08267	3.8
237.05426	3.7
237.09114	12.7
238.09901	1.4
239.10745	3.3
241.08585	2.0
249.05511	3.1
249.09135	3.1
250.06267	12.1
250.09833	7.2
251.07094	3.5
251.10721	1.3
251.20193	3.2
252.07762	5.7
253.08636	2.0
254.09296	1.5
255.13763	1.5
261.09097	12.2
262.09866	3.2
263.07089	6.0
264.07849	5.1
265.08636	37.5
265.12170	6.3
266.09311	1.6
267.06848	1.3
267.07339	1.5
267.10095	8.5
269.08051	6.4
277.08627	2.9
278.09348	9.9
279.10208	3.5
281.08154	1.8
282.08960	2.7
283.09653	3.3
283.13376	3.1
284.10477	3.8
289.58859	1.2
293.11743	21.9
295.09775	2.4
296.99191	1.4
297.11264	14.0
297.14471	1.9
299.12784	9.2
310.11966	3.2
311.12799	75.0
312.13379	1.6
325.10712	1.7
325.14322	9.8
343.11743	1.8
343.15402	35.3
343.24908	2.2
344.18433	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1543
Annotation	Jamesoniellide D
Peak:m/z	Relative Intensity
54.03460	2.0
57.03424	3.6
64.26325	2.0
69.78868	7.9
69.79278	4.1
72.91727	2.1
78.76655	2.2
79.05516	3.4
91.05492	4.8
98.20747	3.3
103.05488	11.3
105.07047	11.7
107.04926	2.1
115.05467	8.1
117.05499	3.3
122.03637	3.1
131.04968	12.8
133.06514	10.0
137.05978	22.5
141.06976	4.1
145.06459	2.5
146.03625	9.3
149.05968	7.7
151.07558	5.5
158.07227	3.3
161.06000	100.0
163.07582	20.2
165.06941	3.5
166.07791	2.7
169.06561	2.3
175.07581	42.9
177.07066	3.0
179.08522	3.9
181.06416	2.7
190.07748	5.1
194.07263	6.6
203.08481	3.0
205.06464	6.5
205.10123	7.9
207.08090	10.2
208.08717	2.4
209.06017	2.6
215.08588	5.1
218.07323	5.6
219.07988	4.9
221.06018	5.2
221.09575	5.0
222.06812	10.9
222.10333	2.6
223.07463	3.2
224.08315	6.5
231.07751	2.1
232.08795	5.0
233.09604	13.1
234.06839	4.1
235.07574	12.7
237.05521	4.2
237.09058	12.8
239.06863	3.4
239.10620	4.0
249.05414	2.8
249.09070	3.7
250.06258	9.1
250.09903	8.4
251.06956	2.6
252.07716	5.1
253.08636	3.5
254.09445	3.8
261.09137	9.0
262.09955	4.1
263.07043	6.9
264.07776	7.1
265.08618	38.7
265.12161	5.6
266.09094	2.9
267.10205	10.7
269.08121	7.1
278.09399	9.2
279.10159	4.9
281.08139	2.6
282.08932	6.4
283.13110	2.7
284.10391	7.5
293.11755	25.4
297.11319	34.3
297.14774	6.9
299.12735	8.9
310.11954	4.4
311.12817	77.8
312.13242	3.5
325.14264	17.3
343.15427	60.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1542
Annotation	Arisantetralone A
Peak:m/z	Relative Intensity
55.01865	3.2
57.44733	1.3
67.05493	2.1
69.07039	1.3
79.05494	3.5
81.07054	2.4
91.05479	5.0
93.07040	1.5
94.04200	1.5
95.04949	2.7
95.08594	2.0
103.05463	11.9
105.07044	16.2
107.04951	4.0
107.29408	1.2
108.32814	1.2
109.06530	3.3
115.05473	6.2
117.07015	1.6
121.06508	1.7
123.04414	1.8
131.04933	12.5
133.06488	8.5
133.86098	1.4
137.05983	21.7
138.65999	1.2
141.06984	3.4
146.03633	12.4
147.04431	8.9
149.05962	4.4
151.03757	1.2
151.07553	7.4
153.07021	2.7
157.06442	1.5
158.74707	1.2
160.05174	2.3
161.05991	100.0
162.06557	1.4
163.07562	17.6
165.07002	5.5
166.07771	3.2
167.08546	2.7
169.06465	3.7
175.07556	47.7
177.06911	3.0
177.09190	1.3
178.07709	2.0
179.08589	7.0
181.06441	3.7
181.10065	1.3
183.08014	1.6
187.07538	1.2
189.07056	1.7
190.07742	6.3
191.08546	2.1
193.06525	2.7
194.07230	8.7
194.68141	1.4
195.08075	7.2
196.08987	1.4
199.07512	2.0
201.09145	1.5
203.08502	3.7
204.09323	1.5
205.06509	7.4
205.10060	9.4
206.07251	2.7
207.08083	9.4
208.08893	2.2
209.06033	2.6
209.09615	3.9
211.07552	2.5
215.08551	3.9
218.07216	5.5
219.08020	5.2
219.10033	2.2
221.05975	5.7
221.09592	2.8
222.06825	8.0
222.10425	2.1
223.07472	7.1
224.08311	6.4
225.09102	2.4
227.06964	1.6
228.87747	1.3
231.07967	2.1
232.08841	3.6
233.05945	4.5
233.09668	14.9
234.06728	5.0
234.10399	3.2
235.07529	13.3
236.08286	5.0
237.05533	6.6
237.09134	13.9
239.06961	3.3
239.10648	4.6
240.07797	4.1
241.08614	2.7
247.07515	3.4
249.05467	3.4
249.09172	3.6
250.06267	10.2
250.09985	6.6
251.06979	8.9
251.10655	1.6
252.07751	5.0
253.08502	3.9
254.09189	1.6
255.06477	3.0
255.10205	2.4
260.08276	1.6
261.09091	11.3
262.09827	4.2
263.06927	4.5
264.07739	6.5
265.08585	44.9
265.12128	8.3
266.09222	1.9
267.07327	1.9
267.10126	10.8
268.07257	4.6
269.08115	7.7
269.10999	1.2
270.08981	2.0
277.08615	3.9
278.09396	11.0
279.10086	2.3
281.08289	2.7
282.08795	4.2
283.09671	16.8
283.12894	2.2
284.10394	6.4
293.08362	2.7
293.11673	24.0
294.12375	1.5
295.09546	3.0
296.10355	3.4
297.11218	20.8
297.14581	1.2
299.12766	10.7
310.12109	3.6
311.12793	76.3
312.13290	2.6
325.10550	4.4
325.14337	10.8
343.11636	9.4
343.15381	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	343.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94630	0.6
55.01874	1.3
57.03431	1.0
57.48138	0.7
66.84023	0.7
67.05495	1.5
69.07072	1.0
69.80562	1.7
69.80954	2.2
73.06545	1.2
79.05489	2.5
81.07045	2.6
91.05494	5.0
93.07024	0.9
95.04966	0.9
95.08601	1.8
97.06547	1.0
103.05457	6.2
105.07039	6.1
106.06535	1.5
107.04953	3.1
107.08588	1.2
109.06537	1.3
115.05454	3.2
117.03374	1.0
119.04968	2.2
121.06489	1.5
122.03658	0.7
123.04440	7.3
129.06999	1.5
131.04942	8.5
132.05695	1.0
133.06494	4.0
135.08054	0.9
137.05991	12.3
141.07028	1.3
145.06496	1.6
146.03609	4.7
147.04416	100.0
148.04784	1.4
149.05980	3.0
151.03906	1.8
151.07539	2.9
153.07011	0.7
155.04889	1.3
157.06570	1.0
160.05205	1.6
161.05986	43.2
163.07542	14.3
165.07016	2.0
166.07797	2.6
167.08586	1.8
169.06532	1.9
173.09659	1.1
174.06758	2.3
175.07559	18.6
177.05627	0.9
177.06905	3.5
178.07816	2.4
179.07042	2.0
179.08577	4.6
181.06514	2.4
181.10060	1.0
187.07623	1.5
189.07004	0.9
189.09081	0.8
190.07797	4.0
191.07047	7.9
191.08615	2.4
193.06589	0.8
193.10068	0.9
194.07271	9.3
195.08060	3.9
196.08849	1.6
197.05870	1.2
199.45000	0.8
201.00842	0.8
201.09149	1.2
202.07739	1.1
203.08589	2.1
204.09340	0.9
205.06488	9.3
205.08617	7.0
205.10205	2.5
206.07272	1.6
207.08090	5.9
208.08847	1.4
209.06013	2.2
209.07930	1.7
209.09686	3.1
210.06851	1.3
211.07611	1.3
212.08311	1.6
213.09096	0.9
215.08632	2.0
218.07317	3.2
219.08054	4.7
219.09933	1.0
221.05960	5.1
221.09546	1.0
222.06766	9.4
223.07512	8.5
224.08305	4.6
225.09145	1.1
227.06993	1.3
229.14314	0.8
231.08139	1.1
232.08804	2.3
233.05951	2.8
233.08107	13.2
233.09723	3.4
234.06792	3.0
234.10463	1.9
235.07573	5.3
236.08357	2.2
237.05473	3.2
237.09119	15.1
238.06271	1.1
238.09673	1.2
239.07089	1.7
239.10649	2.1
240.07762	2.5
241.08597	2.2
247.07530	3.0
248.08266	1.0
249.05484	1.6
249.09117	1.7
250.06255	9.1
250.09889	3.7
251.07011	13.2
251.10812	1.5
252.07773	4.5
253.08667	1.7
254.09430	2.0
255.06581	1.9
255.10223	1.6
260.08340	1.0
261.09171	5.3
262.09787	1.2
263.07056	3.3
264.07819	4.0
265.08609	37.3
265.12231	4.2
266.05661	0.8
266.09100	1.5
267.07123	1.0
267.10178	5.5
268.07394	1.5
269.08047	3.7
270.08838	2.3
275.07001	1.7
277.08560	1.2
278.09396	5.3
279.10196	3.2
281.08142	1.6
282.08923	2.8
283.09665	42.2
284.10333	5.0
292.07294	1.6
293.08154	3.6
293.11740	11.9
295.09744	1.3
297.11307	15.5
297.14816	2.6
299.12836	4.8
307.09692	6.2
310.11923	1.5
311.09473	1.4
311.12766	38.8
312.13513	2.0
325.10721	19.7
325.14407	7.0
343.11716	31.2
343.15500	24.5
344.18634	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1179
Annotation	Piperphilippinin II
Peak:m/z	Relative Intensity
55.01878	2.1
55.05514	2.6
67.05521	3.1
67.40099	1.4
68.76791	1.3
69.36819	11.8
72.67021	1.5
79.05499	3.3
81.07060	3.5
91.05486	6.5
95.08617	1.8
97.06548	2.4
100.11259	5.7
103.05470	6.4
105.07036	6.6
109.06531	1.7
115.05467	2.9
117.07025	1.6
123.04421	6.1
128.06245	1.8
129.07014	1.9
131.04922	7.6
133.06482	5.5
137.05975	12.9
141.06918	1.6
145.06494	1.8
146.03651	5.4
147.04414	100.0
149.05984	2.9
151.07529	2.6
158.86473	1.6
161.05983	51.7
163.07523	11.4
165.07004	4.5
174.06783	2.2
175.07549	20.7
177.06990	2.1
178.07642	1.8
179.07094	3.1
179.08563	2.9
181.06482	3.6
190.07768	3.1
191.07054	8.0
191.08502	2.7
193.71169	1.6
194.07278	8.8
195.08093	5.0
201.09087	1.9
203.50311	1.6
205.06531	8.8
205.08647	6.9
205.10297	2.5
207.08125	3.9
209.06027	2.3
209.09596	5.5
211.07582	2.4
215.08717	2.1
218.07257	3.8
219.07976	5.0
221.05988	5.7
222.06749	10.1
222.10486	2.8
223.07515	9.4
224.08432	3.7
227.07091	3.3
227.10558	2.4
231.08118	1.8
232.08737	2.1
233.05861	4.1
233.08142	10.3
233.09901	4.7
234.06665	2.9
234.10544	1.9
235.07559	6.4
236.08363	1.5
237.05548	3.5
237.09097	18.8
239.07103	2.0
239.10657	2.9
240.07819	4.6
241.08644	2.1
247.07675	2.4
249.09116	2.0
250.06305	10.5
250.09950	3.8
251.07141	12.6
252.07903	2.2
253.08731	2.8
255.06541	2.5
261.09152	6.8
263.06998	3.1
264.07996	3.0
265.08621	37.9
265.11798	1.8
267.10141	6.0
268.07367	2.2
269.08096	6.4
270.08862	2.8
275.07040	2.0
278.09482	4.9
279.10022	2.3
282.08853	3.8
283.09680	45.5
283.12955	1.7
284.10349	4.2
293.08292	3.8
293.11771	10.1
295.09540	2.1
297.11237	13.2
299.12784	5.9
307.09598	5.4
310.11902	1.9
311.09265	2.9
311.12753	35.2
325.10608	18.2
325.14371	7.8
343.11694	35.1
343.15485	23.8
343.30624	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1178
Annotation	Piperphilippinin II
Peak:m/z	Relative Intensity
55.05504	1.5
57.03437	1.5
69.58656	8.0
79.05483	1.3
81.07051	1.5
87.26609	1.2
91.05461	4.6
95.04979	2.0
98.20773	2.3
100.11249	3.8
101.03943	1.1
101.66070	1.3
103.05476	3.5
105.07030	3.2
115.05428	2.0
117.40784	1.2
119.04978	1.6
121.06515	1.9
123.04449	8.9
131.04951	5.7
133.06528	2.3
137.05989	5.1
145.06538	1.1
146.03644	2.5
147.04420	100.0
148.04980	1.5
161.06017	16.2
163.07599	7.7
164.05042	1.3
165.07005	2.8
166.07863	1.8
167.08524	1.7
174.06717	2.3
175.07506	7.5
177.07028	2.9
178.07826	2.3
179.07063	2.7
179.08551	1.6
181.06499	1.7
187.07544	1.7
191.07025	7.5
191.08586	2.8
194.07309	5.9
195.08047	3.6
205.06487	8.0
205.08612	8.1
205.10268	1.7
207.07956	4.2
209.07906	1.7
209.09708	2.9
218.07191	1.7
219.08093	4.1
220.01193	1.1
221.05945	3.2
222.06779	6.7
223.07582	7.0
224.08482	3.0
227.07239	1.7
233.05992	2.8
233.07959	16.6
234.06670	2.3
235.07527	1.5
237.05333	1.7
237.09164	15.2
238.06291	1.3
239.10670	1.7
240.07893	2.8
247.07536	3.5
248.08237	1.3
249.09167	1.4
250.06239	5.8
251.07060	11.1
252.07697	1.7
253.08450	1.4
255.06502	2.0
261.09122	3.5
263.06845	1.7
265.08624	28.0
265.11655	2.4
267.10010	1.4
268.07300	3.4
269.08023	1.2
270.08890	2.4
272.46222	1.3
275.07077	2.9
278.09506	1.1
279.10223	2.5
282.08777	1.6
283.06573	2.3
283.09680	42.8
284.10233	2.3
293.08026	4.1
293.11676	4.3
297.11136	4.5
307.09827	6.2
311.09167	3.3
311.12766	13.8
325.10785	20.2
325.14325	2.1
343.11795	33.2
343.15512	7.9
343.30585	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0214
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	3.0
57.68147	0.9
69.94736	3.5
71.42901	0.9
72.98898	0.9
80.38506	0.9
98.97592	17.3
101.00909	1.4
109.21318	1.1
116.98647	6.6
130.70085	0.8
134.99728	1.7
156.17137	0.9
158.99915	1.6
163.75766	1.0
174.97664	3.3
176.97369	1.6
177.00958	4.3
192.98676	1.7
198.97784	3.6
201.01028	1.2
206.69489	1.2
207.31085	1.0
216.95480	1.9
216.98840	13.6
218.98489	4.2
219.02002	8.9
220.02171	1.2
222.97826	2.3
234.96410	2.3
234.99902	12.9
235.57451	1.0
236.00003	1.2
236.99527	6.0
240.98955	17.0
243.02081	1.8
258.96603	5.7
259.00003	34.7
260.00183	2.2
261.00424	1.3
261.03082	8.9
264.99051	3.5
273.98752	1.3
276.97607	5.9
277.01031	14.1
282.99997	100.0
283.71091	1.2
284.00180	7.9
300.97607	20.1
301.01062	90.4
301.98196	1.0
302.01117	5.5
303.01151	1.6
318.98697	19.2
319.02176	2.8
325.01035	16.6
326.01218	2.1
342.98618	5.4
343.02148	62.5
344.02216	3.6
360.99274	6.4
361.03564	8.1
366.03754	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93511	1.6
57.03429	6.1
69.03420	4.2
69.81745	9.0
71.04992	3.8
81.07039	5.7
85.02914	15.9
97.02895	3.1
99.08105	12.3
109.06504	3.6
117.09135	100.0
119.04933	2.9
121.10184	1.6
127.03999	2.0
127.07563	4.2
133.43106	1.5
137.05989	8.1
138.06320	2.0
146.82248	1.6
147.04390	3.7
163.03886	4.6
163.09683	8.8
177.05397	1.6
180.06555	28.3
193.52600	1.8
215.07794	1.7
249.08801	1.8
295.64029	1.7
296.09286	2.7
342.09738	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	342.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.3
57.03447	14.1
57.07082	15.1
59.04989	2.0
67.05512	2.1
69.03415	4.5
69.62329	11.0
71.04982	2.3
80.04990	2.2
81.03423	2.4
85.02934	8.4
85.06549	17.7
87.04510	2.3
89.02391	2.5
91.05459	10.1
95.04984	15.4
97.02881	3.9
99.05587	2.0
101.06025	3.4
103.07590	100.0
107.04927	2.6
111.05554	6.1
113.05997	7.3
119.04970	13.7
122.09650	1.7
123.04452	21.1
125.07078	3.4
126.05560	2.8
127.03960	2.2
127.07537	9.9
131.03400	4.6
131.04933	2.1
131.07021	2.6
137.05992	9.0
138.06316	6.4
139.05034	10.9
145.08586	7.3
147.04436	10.9
162.03174	1.8
163.09677	39.1
165.05502	5.9
167.11819	5.2
170.06100	1.8
175.07280	2.3
175.11287	1.7
178.04987	37.4
186.60274	1.9
186.77763	1.5
187.07483	3.0
188.07948	4.5
190.09438	2.4
195.08382	1.8
195.11278	27.6
199.34001	1.8
199.75087	1.8
218.08990	2.8
220.08731	2.0
223.07507	2.4
236.07445	2.2
249.08743	3.3
264.10907	2.3
265.08383	1.7
269.08157	5.4
272.09888	3.7
278.14938	1.8
280.10391	2.6
292.10477	6.0
296.09207	57.9
298.10782	3.9
312.13467	3.0
324.12930	4.6
324.16110	2.9
342.09793	96.6
342.23541	1.9
343.09991	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44519	0.5
53.03950	0.6
55.01865	0.6
65.03943	0.6
65.63509	0.6
70.06580	0.4
70.61924	1.5
79.46073	0.5
91.05486	8.6
95.04978	11.6
101.42348	0.5
103.05458	1.0
107.04961	1.9
108.04478	2.7
111.05554	0.8
118.06568	0.5
119.04945	18.5
119.44341	0.4
121.06500	0.9
122.03639	0.5
123.04438	22.5
123.05344	1.1
125.02322	0.7
131.04927	2.1
133.02853	1.3
137.05995	3.0
138.06319	1.1
139.03888	0.7
139.04977	0.7
146.05991	1.3
147.04416	9.6
150.05482	0.9
152.28093	0.5
158.02405	1.0
158.05940	1.2
159.06772	1.0
162.03073	1.3
163.03912	1.3
165.05510	4.1
167.08653	0.6
170.06062	1.1
175.03879	0.6
175.07111	0.5
176.04663	1.4
178.04996	44.0
181.06473	1.1
183.06729	0.6
184.07625	1.0
187.07416	0.6
188.07877	0.7
190.04918	0.8
194.98997	0.4
195.08121	1.5
195.11208	2.6
196.07552	0.8
197.08286	1.1
198.09158	1.2
217.08536	0.6
220.04855	0.5
221.10902	0.6
223.07585	2.1
226.08673	0.8
240.07625	0.5
240.10408	0.5
249.08182	0.6
250.08734	1.6
251.07018	0.9
252.06674	0.7
264.10861	0.6
267.06339	0.5
268.07068	0.9
268.09613	0.7
269.08133	5.5
272.09848	0.7
278.08151	1.3
280.10373	0.6
292.10510	1.8
296.09186	67.8
297.09775	0.9
298.10895	1.6
324.12976	1.2
342.09732	100.0
343.10037	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31609	1.1
55.01866	3.1
55.05511	11.0
57.03439	1.8
57.07067	5.0
67.05507	17.1
69.03436	6.4
69.07082	7.5
70.32167	4.7
71.04988	1.9
71.08642	13.5
77.42578	1.1
79.05492	12.2
81.07063	18.3
83.04970	7.0
83.08622	2.0
85.02973	1.1
85.06552	1.9
91.05479	13.2
93.07042	23.3
95.04975	6.8
95.08618	15.4
96.05762	2.2
97.02901	15.3
97.06532	5.7
99.08096	6.4
105.07038	9.5
107.04944	2.4
107.08588	6.0
109.06516	7.3
109.10123	5.4
111.04447	13.5
113.06010	5.5
116.06179	1.6
117.07026	2.6
119.08586	4.6
121.06493	14.5
121.10136	13.2
123.04422	6.0
123.08058	6.0
123.11716	2.7
124.05207	3.2
125.05975	3.3
129.07013	2.7
131.08572	15.5
133.10115	2.1
135.08083	3.2
135.11713	1.6
137.05992	2.8
137.09628	2.2
139.11166	2.3
143.08586	2.0
145.10161	2.6
145.79053	1.0
147.08057	1.8
149.02382	1.3
149.09625	12.2
151.07545	1.9
161.13269	2.1
163.11215	3.3
165.12732	9.2
167.10692	2.6
179.10687	1.4
179.14348	2.5
180.11580	1.2
181.12239	100.0
189.12823	1.8
191.14259	1.4
199.11052	1.3
203.14241	1.4
207.13835	2.9
277.21796	2.0
305.20975	9.8
306.21719	1.6
307.22842	2.0
323.22217	3.6
341.20911	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	6.4
58.44133	1.7
69.03430	6.9
69.98495	1.8
70.06590	1.6
70.71107	4.8
73.04770	2.9
75.09223	1.4
81.03417	1.7
84.08160	2.3
85.02893	5.3
91.05854	2.2
98.06044	3.5
98.97591	12.3
100.46685	1.5
112.07616	22.4
116.88496	1.8
116.98611	2.9
117.81618	1.7
119.04949	2.7
119.14758	1.8
122.03695	2.0
122.04508	1.8
127.03941	1.8
130.08629	5.1
137.05968	12.8
140.05559	8.5
143.01933	2.2
147.04416	3.4
152.05624	1.7
156.03358	3.2
158.06642	28.1
158.99670	4.1
159.06773	6.5
161.03000	1.7
163.03879	1.8
170.06618	6.6
171.06703	1.9
174.04356	1.8
176.07715	9.3
177.00711	2.4
177.07739	1.9
179.03453	5.4
182.03604	1.5
186.04393	4.2
187.06029	1.8
187.07587	2.1
188.07675	8.7
189.07773	3.6
197.01221	2.1
212.07697	45.6
217.08536	2.5
219.01825	2.5
225.10818	12.6
226.07953	1.4
230.08768	21.6
233.11560	1.7
237.02690	2.1
239.02330	2.0
239.12434	1.9
243.11911	4.5
251.12457	61.3
253.03673	2.0
263.09818	2.4
263.12445	33.7
269.13495	21.7
279.12592	5.7
281.13486	100.0
291.10135	2.3
297.13727	3.1
320.18240	1.6
323.11697	7.0
341.05423	1.9
359.02933	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1384
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
55.05518	1.6
55.32131	1.2
67.47015	1.1
69.07059	2.0
69.21131	1.4
70.38976	4.2
71.04996	5.6
74.73927	1.3
79.05509	3.9
79.82254	1.3
81.07044	2.7
83.08605	2.1
91.05489	7.1
94.04179	4.4
97.06535	12.8
98.06870	5.4
100.11243	3.0
103.05447	2.1
105.07030	2.6
107.04971	1.7
107.82845	1.3
109.06551	2.2
111.04350	1.5
115.05480	1.5
117.07047	1.3
119.04948	2.6
119.08646	1.5
122.03638	7.8
123.04427	3.6
124.04742	2.7
125.06091	1.4
128.06232	3.3
129.06999	7.6
131.04912	4.5
133.02859	5.3
137.05980	100.0
142.16246	1.4
144.05717	3.9
145.06497	2.2
149.05974	3.2
151.03899	3.1
151.07547	6.0
153.05417	1.5
157.06514	5.5
160.05191	3.0
163.07573	5.4
164.04684	1.7
165.05518	5.4
171.07941	2.1
172.05212	4.1
174.06749	8.1
175.07565	18.3
177.05482	7.0
177.09100	1.8
179.07083	4.5
185.05959	1.6
187.07544	30.2
189.09105	13.3
190.07750	1.7
191.07033	5.5
191.08609	3.3
196.05193	7.7
197.05975	2.4
199.07524	3.6
202.07857	2.3
203.08612	11.5
205.06697	2.8
205.08659	7.5
211.07539	22.2
213.05537	3.9
217.08578	15.2
219.08044	7.4
219.10173	4.6
220.08640	6.9
220.10640	10.4
225.05402	1.7
227.07031	6.8
228.07874	3.6
231.08006	13.1
232.08784	2.9
233.06100	2.2
235.07576	2.3
237.09119	2.3
239.07027	15.8
240.07835	10.5
247.07617	4.3
248.08331	22.7
249.09189	2.6
251.10741	4.3
253.08592	2.9
254.09274	2.0
255.06625	4.7
256.07330	10.0
259.07523	5.6
260.08322	4.3
261.09103	2.6
263.06775	1.6
263.07544	1.6
263.10696	21.1
264.07825	2.6
265.08618	5.7
268.07480	2.4
270.08923	11.6
271.09650	41.4
275.70261	1.4
276.07809	10.4
277.08585	5.3
279.10141	10.3
280.10959	3.6
281.08136	1.9
282.08798	1.8
283.09650	8.5
291.10141	53.8
292.10849	4.5
293.08087	5.5
296.10318	6.4
297.11142	3.4
308.10483	6.2
309.11060	2.6
311.12848	9.3
323.12769	29.4
340.12558	1.5
341.13766	26.3
363.06946	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1386
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
55.01879	1.3
57.33031	0.9
58.38401	0.9
58.38916	0.9
67.05478	1.7
69.07100	1.1
71.04987	3.4
79.05488	3.0
79.54684	0.9
81.07049	2.9
85.19390	0.9
89.06017	2.4
91.05476	6.0
94.04183	2.3
95.41264	1.0
97.06528	1.9
103.05452	1.7
105.07030	2.0
107.04958	2.9
109.06522	3.8
109.10154	1.0
115.05460	2.3
115.96720	1.0
119.04922	2.3
121.10132	1.1
122.03670	6.9
123.04457	1.4
128.06264	1.3
129.07034	5.3
129.07802	1.0
131.04916	3.1
131.08575	1.2
133.02859	4.5
137.05984	100.0
143.04906	2.7
144.05722	2.9
145.06508	2.8
147.04425	1.4
148.05232	1.2
149.06055	4.7
151.03931	2.0
151.07541	3.5
157.06490	4.4
160.05182	2.9
161.05989	3.2
163.07559	4.1
165.05453	4.1
172.05208	3.9
174.06754	8.2
175.07562	21.3
177.05476	4.9
177.09100	2.1
179.07033	3.0
187.07541	25.6
188.08228	1.2
189.09088	11.0
191.07054	10.5
191.08542	2.6
196.05219	4.8
197.05952	1.9
199.07564	4.1
201.77005	1.1
202.07813	4.5
203.08559	11.8
205.06686	2.0
205.08627	8.6
207.08212	0.9
208.08885	1.0
211.07565	17.7
212.04744	1.2
213.05467	2.5
217.08652	12.9
218.07281	1.5
219.08084	7.3
219.10034	1.9
220.08798	4.5
220.10533	2.7
221.09651	1.3
225.05447	1.9
227.07050	11.3
228.07927	1.7
231.08025	12.0
232.08781	3.8
233.09721	1.5
235.07396	2.8
236.08325	3.0
237.09120	2.1
239.07028	9.5
240.07811	11.1
241.04936	1.8
245.09595	1.7
247.07605	4.6
248.08344	18.7
249.09103	1.7
251.10730	4.6
253.08615	2.4
254.09419	1.8
255.06541	8.8
256.07379	6.8
259.07611	6.3
261.05627	1.3
261.09174	2.8
262.10049	1.1
263.10654	15.9
264.07767	3.5
265.08636	5.4
268.07422	2.2
269.08170	1.2
270.08884	15.8
271.09650	30.7
276.07806	9.6
277.08624	6.2
278.09442	1.4
279.10229	9.3
280.10928	1.3
281.08112	2.6
282.08850	1.1
283.09671	8.1
291.10159	43.2
292.10861	3.3
293.08136	5.4
295.09610	1.2
296.10410	5.7
297.11267	4.8
308.10355	6.1
309.11218	2.4
311.12851	9.7
313.14328	2.0
323.12802	28.5
341.10062	1.6
341.13815	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	341.1383
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
70.65079	3.9
71.04989	1.5
74.37370	1.1
79.05489	3.6
81.07042	1.4
91.05480	5.9
93.03389	1.0
94.04175	3.5
95.99358	1.1
102.84087	1.0
103.05471	2.7
107.04941	3.1
109.06520	3.4
115.05494	1.5
119.04955	2.3
121.06530	1.1
122.03649	9.8
123.04364	1.6
128.06233	3.9
129.06999	11.4
131.04935	2.1
133.02866	3.5
137.05981	100.0
140.95490	1.0
143.04909	1.3
143.08597	1.3
144.05696	4.7
145.06512	1.5
146.03575	1.1
146.07227	1.8
147.04442	2.5
149.06009	2.7
151.03923	2.2
151.07535	4.8
153.05492	2.4
153.06798	1.0
157.06516	5.6
158.07283	2.1
160.05205	3.4
161.05960	2.8
161.09592	1.3
163.07544	3.0
165.05530	2.2
171.08081	2.0
172.05243	8.0
173.06000	1.8
174.06775	14.9
175.07550	12.2
177.05452	3.1
177.09167	1.3
179.07011	2.5
187.07559	40.0
188.08218	1.3
189.09116	20.5
190.07840	1.2
191.06992	1.7
191.08534	4.3
196.05177	3.3
199.07527	4.8
202.07825	4.1
203.08575	10.4
203.14352	1.1
205.06517	4.5
205.08591	2.3
208.08702	1.6
211.07556	8.8
213.05492	1.3
215.08508	2.0
217.08595	22.5
218.07179	1.5
219.08044	11.4
220.08852	3.6
221.06113	2.0
225.09122	1.8
227.07086	2.3
231.08130	12.8
232.08868	4.1
233.05989	2.7
233.09650	2.9
235.07571	2.3
236.08322	3.3
237.09099	3.2
239.07016	4.6
240.07860	6.9
247.07526	8.5
248.08313	17.0
249.09103	1.9
250.06366	1.5
251.10724	8.2
253.08586	3.9
255.06432	2.5
256.07336	4.5
258.06693	1.3
259.07538	4.1
260.08279	2.9
261.09122	4.6
262.06335	1.5
262.09644	1.2
263.06870	1.5
263.10703	15.7
264.07840	3.5
265.08618	5.1
268.07291	1.8
270.08734	5.3
271.09625	19.5
276.07724	6.9
277.08624	4.1
279.10199	15.1
280.10757	2.8
281.08185	3.4
283.09668	2.9
284.72455	1.1
291.10178	40.9
292.10983	2.9
293.07974	6.2
293.11191	1.2
295.09796	1.4
296.10556	10.1
297.11209	3.4
308.10278	5.0
308.99951	1.1
311.12805	17.2
323.09683	1.3
323.12775	30.2
341.10080	2.4
341.13864	10.6
351.03680	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
66.19800	1.8
69.68930	11.4
69.69225	2.1
75.45320	1.8
81.07076	1.9
91.05512	2.4
93.03436	2.0
94.04168	4.3
98.20832	2.7
107.04984	2.4
109.06514	2.6
115.05512	1.9
118.40897	1.9
122.03654	7.3
125.06004	2.1
128.06229	4.1
129.06999	14.6
131.04915	3.0
135.04416	1.8
137.05991	100.0
144.05678	3.5
146.07288	1.9
151.03909	3.3
151.07533	5.6
153.05519	2.2
157.06473	8.9
158.07285	3.9
160.05244	4.0
161.05989	2.8
165.55678	2.0
172.05225	9.3
174.06767	15.8
175.07567	9.5
177.05467	2.4
187.07549	53.3
189.09113	22.0
191.07025	2.2
191.08580	6.5
196.05295	2.3
199.07668	9.0
202.07785	5.5
203.08578	12.1
205.06436	2.9
211.07565	8.0
213.40884	1.8
217.08601	33.1
218.07343	2.0
219.08084	12.8
220.08830	5.2
227.07109	5.3
231.08040	13.6
232.08798	3.0
233.09689	5.5
235.07616	3.0
236.08255	4.9
237.09053	4.0
239.07065	2.2
240.07811	5.2
247.07558	9.1
248.08336	15.3
250.06248	2.8
251.10703	7.2
253.08623	4.8
255.06552	4.6
256.07291	3.3
259.07639	6.5
260.08319	3.5
261.09164	3.3
263.07092	2.4
263.07928	2.7
263.10690	19.5
264.07785	4.5
265.08643	6.6
270.08826	6.6
271.09595	17.5
276.07800	9.5
277.08759	5.5
279.10214	16.5
281.08109	4.3
283.09735	5.2
291.10190	35.4
292.10986	2.7
293.08124	4.8
296.10443	11.7
297.11136	3.3
308.10498	2.6
311.12823	25.2
323.12762	38.7
341.13876	9.6
363.08151	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0869
Annotation	Esculin
Peak:m/z	Relative Intensity
71.07166	0.8
71.07505	0.7
73.04741	0.5
77.03934	0.5
85.02917	0.9
87.12698	0.4
89.03924	0.8
91.05483	0.4
95.04971	0.4
105.03381	0.8
117.03358	0.7
122.03685	0.5
123.04431	12.3
123.05325	0.7
129.06999	1.0
133.02852	11.0
135.04393	1.5
136.06140	0.6
137.05978	8.7
144.05664	0.5
149.05916	0.5
151.03920	5.0
157.06448	0.8
174.06718	1.0
175.07524	1.2
179.03398	100.0
187.07574	4.4
189.09062	1.5
191.08485	0.7
199.07495	0.6
203.08607	1.6
211.07614	0.6
217.08583	2.3
219.08031	1.2
220.08763	0.5
231.08086	1.5
247.07629	0.9
248.08394	1.4
251.10645	0.6
259.07391	0.6
263.10684	2.0
270.08752	0.6
271.09717	1.6
276.07739	0.9
279.10086	1.5
291.10172	4.2
293.08328	0.5
296.10315	0.9
308.10449	0.7
311.12802	2.2
323.12881	3.3
341.13748	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29023	1.7
55.01880	3.7
60.36512	2.2
67.05533	2.5
69.07079	19.1
70.19707	7.8
79.05497	10.2
81.07047	4.4
97.06538	83.7
115.67696	2.1
121.02914	2.0
123.04441	100.0
126.52629	1.8
160.05225	1.8
163.03922	5.1
175.03915	4.3
193.04918	2.7
201.05486	16.9
201.09177	8.3
203.42621	1.8
219.06592	7.5
219.10173	76.4
219.12315	3.7
243.10173	24.7
261.11246	70.5
283.17392	1.9
301.73401	2.0
305.10223	70.2
348.85016	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2532
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
51.02803	5.0
55.01871	7.9
55.05517	32.5
57.03399	5.3
67.05499	27.3
69.07070	44.3
69.30597	42.9
71.04979	36.9
79.05479	24.9
81.03399	7.9
81.07057	65.3
83.04974	6.3
83.08617	14.8
85.06544	66.8
91.05480	20.0
93.07050	65.7
95.04960	13.6
95.08616	100.0
97.06534	90.6
97.10133	5.9
98.20702	10.5
99.04433	6.1
99.08114	7.0
101.05978	6.1
102.75914	5.4
103.05510	5.5
105.07027	61.5
107.08607	57.9
109.06538	10.6
109.10131	46.0
111.08068	23.3
117.07021	9.9
119.08595	75.8
121.06432	5.8
121.10155	51.1
123.04421	20.6
123.08057	24.8
123.11715	19.1
125.09636	15.4
127.11150	28.1
129.06961	10.6
131.08563	33.0
133.06503	5.1
133.10150	64.6
135.08070	9.9
135.11713	32.3
137.06000	29.7
137.09618	22.4
137.13264	7.1
139.07571	5.6
139.11156	10.8
143.08566	16.8
145.02849	8.7
145.10136	48.5
147.11734	30.0
149.09639	14.8
149.13251	22.2
151.14833	6.4
155.08505	5.3
155.10664	7.4
157.10156	29.7
159.11697	62.9
161.13261	44.5
163.11151	7.7
163.14795	15.0
165.12747	5.5
169.10106	11.3
170.10973	5.6
171.11716	24.3
173.13284	54.1
175.11226	8.0
175.14809	20.9
176.76588	5.3
177.05492	22.2
177.12778	11.3
179.14311	21.4
183.11728	6.6
185.13234	15.3
187.14766	17.1
189.05458	8.3
189.16409	11.6
195.55699	5.2
197.13268	11.8
199.14847	24.4
201.16396	15.6
203.17834	5.7
205.15907	9.4
211.14822	8.5
213.16391	6.4
215.17953	6.0
217.15901	37.7
219.10159	76.3
219.17421	8.0
225.16428	7.3
227.17847	11.2
231.17491	7.2
243.17455	6.2
243.21185	7.0
245.19028	14.4
259.20685	6.9
267.21103	19.2
277.21329	5.9
285.22107	58.0
303.23175	62.7
321.24283	42.3
339.12363	10.2
339.25403	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	339.2532
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03933	3.8
53.93918	2.6
55.01879	4.2
55.05518	30.3
57.03436	4.1
57.07059	7.5
59.04994	4.4
67.05509	29.6
69.07071	28.1
69.22338	26.6
71.05000	45.3
79.05501	22.7
80.42918	3.8
81.07059	66.1
83.04995	19.6
83.08623	15.7
85.06554	30.4
91.05488	24.9
93.07052	59.3
95.04964	4.2
95.08610	100.0
97.06531	36.1
97.10155	6.4
98.06863	3.1
98.09702	28.7
98.21542	5.7
99.04445	5.4
99.08079	11.3
100.11258	7.1
101.06033	8.2
105.07043	47.2
107.08593	68.2
109.06529	13.4
109.09474	4.8
109.10165	63.0
111.04453	5.1
111.08105	16.8
113.09627	7.2
117.07018	10.7
119.08587	61.5
121.06532	3.5
121.10145	40.9
123.04442	6.3
123.08068	40.1
123.11690	16.4
125.09641	13.7
125.13299	3.7
127.11196	36.4
129.07004	4.5
130.07799	3.7
131.08588	24.0
133.10162	41.4
135.08046	17.5
135.11668	31.2
137.06006	5.0
137.09639	30.9
137.13251	3.7
139.07579	2.9
139.11208	3.9
141.09137	3.1
142.07791	6.6
143.08559	16.2
145.10136	45.5
147.08076	5.0
147.11658	29.8
149.13258	17.0
151.11230	6.7
151.14828	6.9
155.08640	3.6
155.10706	18.3
156.09323	6.1
157.10136	37.4
158.10867	4.5
159.11699	62.7
161.09578	5.1
161.13240	28.8
163.11188	11.2
163.14822	12.5
165.12735	9.1
165.16437	3.5
167.14302	6.1
169.10133	7.1
170.10910	4.1
171.11670	20.6
173.13272	41.0
175.07491	3.4
175.11253	5.5
175.14836	31.2
177.05453	8.7
177.12730	10.4
179.14249	10.0
181.12041	3.2
181.15858	3.3
182.15417	5.8
183.11673	9.4
183.13794	3.9
185.13274	13.1
187.14841	17.5
189.12730	6.2
189.16426	9.3
195.13829	3.6
197.13199	6.3
199.14833	51.8
201.09180	4.1
201.12831	3.6
201.16409	7.2
203.14330	3.2
205.02370	2.9
205.15854	5.3
209.15207	3.1
210.14935	5.6
211.14836	10.6
213.16412	12.5
215.14427	5.2
215.17973	12.2
217.15883	38.9
219.10144	27.9
225.16345	9.3
227.17874	6.9
229.15889	10.2
231.17545	5.9
235.09653	7.9
235.17000	6.9
241.19514	8.1
243.21117	4.1
245.19044	4.1
255.21260	3.8
259.20499	6.1
267.21149	18.3
267.23627	3.4
273.22153	4.6
285.22195	52.6
300.63339	2.9
303.23181	41.4
305.10257	4.0
305.31042	3.0
307.09631	3.6
321.24216	26.2
339.05121	3.4
339.12170	9.5
339.25385	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	339.249
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06585	0.7
60.07888	0.4
60.08167	4.5
69.23602	2.6
82.52982	0.2
84.91210	0.4
98.21590	0.5
104.10748	100.0
104.89750	0.2
107.23537	0.2
113.01257	0.3
115.23773	0.2
119.25462	0.2
208.03929	0.3
223.06790	0.3
339.08960	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2526
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03943	10.0
53.10967	3.9
55.01865	10.5
55.05508	21.5
57.03422	7.7
57.07074	5.9
59.04996	5.6
63.38174	3.9
67.05504	44.7
69.03417	11.1
69.07069	34.0
70.08813	11.1
71.04990	16.3
76.16870	4.7
79.05499	38.4
81.03410	26.4
81.07059	100.0
83.04993	9.7
83.08628	21.0
85.02907	5.8
85.06541	12.2
87.04462	9.5
88.00211	5.3
90.47408	4.0
91.05484	40.6
93.07046	63.2
95.04971	10.5
95.08611	85.1
97.02847	7.1
97.06538	23.1
97.10166	13.9
99.08092	7.2
105.07033	46.5
107.08601	60.8
109.02886	21.2
109.06493	8.9
109.10159	49.2
111.08076	10.0
113.09641	6.5
115.05381	4.8
117.07022	14.0
119.08587	43.5
121.06487	10.2
121.10114	29.4
123.08097	6.3
123.11703	16.5
125.09640	13.8
127.03882	7.3
127.11212	27.0
128.06137	4.7
129.06989	10.1
131.08556	26.0
133.10106	28.8
135.08026	15.7
135.11679	22.4
136.07582	4.9
137.05966	7.0
137.09630	16.3
137.13226	6.2
139.11185	12.8
141.09070	7.0
143.08562	19.6
143.51559	4.1
145.10136	38.0
147.04434	5.0
147.11671	23.8
149.09589	8.2
149.13254	13.6
151.03954	5.0
153.09085	10.0
153.12720	4.9
155.08539	7.2
155.10643	5.9
157.10083	23.6
157.12151	5.8
159.11713	32.0
161.13280	24.6
163.11171	10.3
163.14789	8.0
165.12733	6.6
169.10107	6.8
171.11676	14.0
173.09560	5.3
173.13231	30.3
175.11160	6.0
175.14815	10.8
177.12776	9.1
183.11639	6.7
185.13174	9.1
187.14839	32.6
189.12718	5.4
189.16341	6.6
191.14355	5.2
197.13362	5.7
199.14857	29.5
201.16417	13.7
203.14511	6.1
205.15857	6.1
211.14809	12.8
213.16396	9.9
215.17871	6.9
217.15851	20.0
219.17471	5.5
221.99867	4.8
225.02872	6.0
225.16432	4.5
231.17307	4.0
234.72035	4.8
235.16885	5.9
247.16919	6.4
255.21089	4.9
267.21048	7.0
285.22180	30.3
303.23181	33.5
321.24274	27.1
339.09579	9.1
339.15872	5.6
339.21735	6.3
339.25458	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	339.0712
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.6
53.03951	23.7
55.01876	10.2
55.05515	2.4
57.03444	2.6
61.02907	1.1
65.03941	2.3
67.01873	3.3
67.05513	9.4
68.99793	9.7
69.03427	17.5
69.07058	2.9
69.18622	2.8
69.19043	9.6
71.01347	3.1
71.04995	3.0
73.02893	1.6
76.46578	1.1
79.05093	1.2
79.05479	8.4
81.03420	89.1
81.07055	6.2
83.01345	1.4
83.04972	5.8
85.02906	18.0
87.00848	10.6
87.37350	1.2
91.05475	7.8
93.07043	3.5
95.01321	5.7
95.04974	8.3
95.05478	1.3
95.08595	3.9
97.02886	18.2
97.06540	3.7
98.20789	2.0
99.04455	11.2
101.02380	5.0
103.03952	1.8
105.07048	6.3
107.04951	5.5
107.08574	1.4
109.02881	100.0
109.06515	3.1
109.10160	2.4
110.03669	3.7
111.00772	1.4
111.04452	8.2
113.02357	2.2
115.05467	3.0
117.07024	2.2
119.04945	4.1
119.08609	1.7
121.02883	5.3
121.06486	2.0
121.10134	2.8
123.04445	14.3
123.11673	1.4
124.05251	1.6
125.02341	15.1
125.03178	1.6
125.06022	1.9
127.03920	37.0
129.01749	1.3
129.05545	1.4
129.06943	1.2
131.04962	2.4
131.08546	2.0
133.06497	4.3
133.10094	1.5
135.04396	6.7
137.02347	2.1
137.05972	4.4
139.03899	4.9
145.04945	1.6
147.04399	7.7
149.02338	4.6
149.05969	4.0
149.09657	1.4
151.03900	22.2
153.01839	2.4
157.08578	1.2
161.05997	7.3
163.03915	6.8
163.11198	1.6
165.05479	5.4
167.03442	1.4
169.05043	2.2
171.02924	2.2
171.04314	1.2
173.02446	1.5
175.03893	2.2
177.05475	3.6
181.05029	1.6
189.03960	2.7
189.05453	10.3
191.03416	2.9
193.04985	5.2
195.02892	3.1
205.05066	2.3
207.06569	4.2
213.03928	9.2
217.04927	9.5
223.06111	1.3
235.06020	16.6
247.16530	1.3
253.07104	7.5
271.08243	2.7
295.08099	2.0
305.65738	1.2
321.05890	3.6
339.07181	15.6
339.11432	2.3
339.15710	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	338.046
Annotation	Unknow
Peak:m/z	Relative Intensity
60.17343	37.3
65.88065	39.9
69.02544	41.7
70.77912	41.4
71.47819	55.6
85.06493	46.6
90.09206	87.2
97.14097	43.1
121.16508	44.7
127.03919	54.7
145.03575	37.8
146.03624	59.2
172.71022	41.7
176.06885	41.3
218.02196	99.1
230.02188	44.8
329.23529	45.7
338.05478	45.9
338.09030	100.0
338.14584	59.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.5
56.05036	1.3
67.05508	4.3
70.06604	7.4
70.40557	2.4
79.05518	0.9
82.06582	2.5
83.07366	3.6
84.08154	6.4
85.88412	0.6
91.05502	1.1
91.69421	0.6
105.06989	0.8
107.04959	1.6
119.08533	0.6
128.06258	2.3
129.07036	1.6
131.04990	0.7
133.02853	0.8
135.04436	3.1
137.02324	0.8
140.45924	0.6
141.06947	0.7
143.04887	0.7
143.08531	3.5
145.06459	1.6
147.04391	2.8
147.08080	1.2
151.03879	3.2
153.07004	1.0
157.06448	1.8
159.08122	0.8
161.05969	1.8
161.09627	1.9
163.03914	9.6
163.07570	1.2
164.10808	1.4
166.25215	0.7
169.06502	0.7
171.04468	0.7
171.08076	7.0
173.05994	2.0
174.09184	1.1
175.03923	1.4
175.07571	2.8
177.05461	2.0
177.37111	0.7
181.05002	0.8
181.06480	0.9
185.06047	1.3
187.07544	1.8
188.10725	1.0
189.05458	1.8
189.09137	7.1
191.03412	25.6
191.07076	1.8
192.10181	4.3
193.05080	0.7
197.05951	0.7
198.09181	1.7
199.03886	0.8
199.07561	9.0
202.08661	4.3
203.03322	1.0
203.07033	5.0
207.06523	0.9
207.08794	0.6
209.06047	0.7
215.07065	0.8
216.10094	3.8
217.05089	0.7
217.08609	8.6
220.09688	7.4
223.06044	17.4
227.07065	3.9
231.10216	2.3
233.08034	1.8
234.11287	2.7
244.09721	2.3
245.08087	2.7
247.09818	1.4
249.07513	0.7
249.11275	4.1
256.55014	0.7
259.09555	3.2
262.10785	11.0
266.13916	0.7
276.12354	6.2
277.10611	1.2
294.13385	100.0
295.13794	2.3
338.12347	19.8
339.12573	0.7
357.79755	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2736
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03935	2.8
55.01862	1.8
55.05512	33.3
57.03441	20.7
57.07084	5.4
57.50661	0.7
57.89604	0.8
65.03929	3.0
66.04736	0.8
67.05505	82.3
68.01901	0.8
68.05790	1.0
69.03416	1.4
69.07069	42.9
69.93130	1.4
69.93549	3.1
71.04984	2.3
71.08609	2.7
79.05493	25.2
81.07055	79.7
82.07388	1.4
83.04967	2.6
83.08621	25.7
85.06533	1.7
91.05483	14.0
93.07043	23.2
95.04981	1.7
95.08606	63.2
96.08961	0.9
97.06519	4.5
97.10162	13.5
99.08090	1.5
105.07045	12.1
107.08601	12.7
109.06522	1.1
109.10153	27.4
111.08083	2.7
111.11721	2.9
119.08566	8.4
121.10147	10.5
123.08008	1.3
123.11713	10.1
125.09635	2.0
131.08612	1.3
133.10123	8.1
135.11694	6.3
137.06047	0.9
137.09607	1.3
137.13191	4.1
139.11189	1.0
145.10074	1.6
147.11719	5.1
149.13252	4.3
151.11174	1.6
151.14813	2.1
161.13316	4.4
163.14825	2.9
165.06979	0.8
165.16435	1.0
175.14816	3.5
177.16444	1.3
181.14456	0.8
189.16364	1.8
245.22624	4.2
247.19226	0.8
263.23691	7.0
310.11487	0.9
337.27371	100.0
338.27615	2.1
345.39633	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2738
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03932	3.0
55.05516	37.6
56.62245	0.8
57.03444	21.8
57.07083	5.5
57.77510	0.9
65.03931	2.9
67.05509	81.8
67.59447	1.0
69.07074	45.1
70.74374	2.3
71.04973	1.7
71.08621	2.8
79.05497	23.1
81.07062	78.8
83.04966	1.8
83.08623	24.6
85.06579	2.1
91.05488	14.6
93.07053	20.8
94.98889	0.9
95.04978	1.3
95.08614	63.3
97.06535	4.6
97.10179	12.6
99.08096	2.8
100.83368	0.9
105.07034	10.0
107.08602	11.2
109.06522	1.4
109.10164	23.3
111.08061	2.7
111.11732	3.1
119.08599	7.5
121.10159	9.1
123.08036	1.9
123.11714	10.9
128.74910	0.9
133.10144	8.3
135.11710	5.9
137.13260	4.0
139.11168	1.3
147.11725	6.3
149.13275	3.3
151.11127	1.5
151.14793	2.4
161.13274	4.6
163.14825	3.4
165.12766	1.0
165.16440	1.0
175.14799	3.1
177.16374	1.9
189.16385	1.4
214.63805	0.9
227.19609	1.1
245.22728	3.4
263.23737	6.3
299.56299	1.0
337.27393	100.0
338.27911	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09466	4.3
53.03929	4.7
55.05277	5.1
55.05514	35.7
57.03425	11.9
57.07064	12.0
67.04661	3.9
67.05511	56.3
69.07069	44.5
71.04996	26.5
71.49638	6.7
79.05499	33.4
81.07062	85.5
83.08619	19.3
91.05483	44.0
91.36955	4.7
93.07048	44.0
95.04951	20.1
95.08070	7.1
95.08613	100.0
97.06515	9.6
97.10152	8.8
103.05513	4.6
105.06406	6.4
105.07031	66.2
107.08603	53.9
109.06504	14.8
109.10152	36.0
111.11700	7.9
114.44433	4.2
117.06992	11.2
119.08584	75.8
121.10140	77.4
123.08053	9.7
123.11707	52.1
128.06189	4.7
129.06999	12.3
130.07797	5.4
131.08588	39.6
133.09293	5.0
133.10146	35.1
135.08052	28.0
135.11665	12.2
137.09618	6.3
137.13261	7.0
141.06972	8.0
142.07797	6.8
143.08583	27.4
145.10129	48.7
147.08032	7.7
147.11664	16.9
149.09622	5.5
155.08542	12.6
156.09314	12.7
157.10143	54.6
159.11705	29.3
161.09628	25.0
161.13271	11.8
167.08557	9.6
169.10228	21.3
170.10843	6.8
171.11771	29.9
173.13271	18.0
175.14824	19.8
177.16495	6.3
180.09334	5.1
181.10052	15.9
182.10907	10.2
183.11667	28.4
185.13261	7.1
187.14810	14.3
189.16438	6.3
194.10825	5.5
195.11693	15.2
197.13260	31.7
199.14824	15.7
201.12753	5.8
201.16362	11.4
209.13217	18.1
211.14848	12.9
213.12706	7.5
215.14291	16.1
215.17897	4.5
221.13310	5.7
223.14833	16.1
225.16342	4.8
237.16269	8.6
239.17952	11.5
249.16357	5.5
252.91748	4.5
253.19536	14.5
254.20367	4.7
279.21060	19.5
281.19012	12.5
294.23389	5.6
319.24271	9.5
337.25342	69.1
345.01376	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	337.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.1
61.04055	1.0
65.98379	0.7
68.06954	0.6
70.73532	2.2
73.06551	6.2
85.02908	2.2
90.09196	100.0
97.02908	1.0
103.08711	2.1
175.14426	60.4
187.33322	0.7
236.51077	0.7
252.14450	1.1
264.11679	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.201
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16111	1.4
53.03945	4.8
55.01870	9.8
55.05509	11.1
57.03440	18.7
57.07082	1.6
63.46951	1.4
67.05508	35.0
69.03438	22.7
69.07072	100.0
70.28530	5.6
71.04984	4.0
73.06568	2.5
79.05496	60.8
81.03423	8.8
81.07059	43.9
83.04979	5.7
83.08625	5.6
85.06531	2.8
91.05483	48.4
93.07049	41.1
95.04992	9.5
95.08607	24.7
97.02903	24.7
97.05923	2.3
97.06535	21.1
98.21413	2.1
99.04465	1.4
99.08105	1.5
100.02198	7.7
101.02534	3.0
103.03942	3.8
103.05427	2.0
105.04478	1.6
105.07039	25.0
106.06581	1.8
107.04946	15.1
107.08595	24.4
109.06532	6.8
109.10143	10.4
109.93149	1.5
110.06049	2.0
111.04443	2.0
115.05483	1.7
117.07013	8.1
119.03440	8.8
119.04942	1.6
119.08584	33.1
121.06526	5.3
121.10148	38.8
123.04443	2.3
123.08070	9.5
123.11674	2.8
125.06004	5.8
125.09644	1.7
128.06200	2.7
129.05557	2.3
129.06995	10.4
130.07806	1.6
131.08574	36.4
133.06497	5.3
133.10143	17.4
135.08044	6.7
135.11671	3.0
137.09619	6.9
142.07747	1.6
143.07072	10.5
143.08601	7.6
145.10147	9.5
146.02695	4.0
147.08055	14.4
147.11694	6.8
149.05998	1.8
149.09627	23.6
151.03703	1.6
151.07552	5.0
151.11145	1.8
155.08606	1.8
157.10129	9.4
159.11711	3.7
161.08212	2.1
161.09673	4.9
161.13271	3.9
163.11108	1.8
165.09111	5.8
167.10707	2.1
171.06520	5.3
171.11673	3.3
173.13295	4.5
175.14728	1.8
177.09148	6.2
185.13260	3.2
187.14861	1.8
189.09096	1.4
189.16409	5.9
195.08244	1.8
195.10135	2.7
199.14809	14.8
201.16426	3.3
209.13152	2.3
217.15813	11.3
223.02351	2.8
227.14340	4.5
239.12866	4.2
240.07870	1.9
241.08617	5.0
245.15375	15.8
263.16394	4.4
283.20923	1.6
301.21561	2.2
319.19150	3.8
319.22418	3.0
334.04745	1.6
334.38831	1.7
337.09467	3.3
337.14072	8.5
337.20096	37.4
337.24026	3.1
337.30212	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	337.0919
Annotation	5-O-Caffeoylshikimic acid
Peak:m/z	Relative Intensity
51.62403	0.7
53.03949	0.9
56.96559	1.8
63.82332	0.6
64.26682	0.7
69.43442	4.3
70.06571	0.6
71.04992	0.9
73.19440	0.6
79.05483	2.0
81.07049	0.7
83.41000	0.6
89.03919	10.3
90.09212	1.4
90.91119	0.6
91.05492	1.4
93.07056	0.8
95.04966	4.3
95.05938	0.6
95.08591	0.8
97.43822	0.6
100.17628	0.6
105.07078	0.8
107.04945	3.2
113.00304	0.8
116.19890	0.6
117.03382	12.9
119.04932	1.6
121.02885	0.8
129.06982	0.7
131.01242	0.7
132.95912	0.6
135.04420	23.8
135.05440	1.5
137.05936	1.5
139.03923	1.0
145.02855	13.6
147.04395	3.7
161.05937	1.1
162.06734	0.8
163.03914	100.0
167.00063	0.9
181.04988	1.4
187.07521	0.9
194.99530	2.6
201.09064	1.4
203.10701	3.2
207.86395	0.6
208.99458	0.6
210.98997	0.9
220.97440	1.8
222.98854	0.8
226.98523	1.2
233.08092	2.4
238.98384	1.2
255.74722	0.7
266.05682	0.9
274.98593	0.9
277.08542	1.0
292.99570	0.8
293.07925	0.9
294.05276	1.2
305.08179	1.0
309.07629	1.7
337.07056	3.8
337.10797	2.5
337.18088	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0897
Annotation	Flustraminol A
Peak:m/z	Relative Intensity
53.72892	4.3
58.46836	3.4
67.71582	3.8
67.79354	3.8
70.08472	17.5
93.84432	3.4
116.68472	3.5
157.03342	4.2
217.01941	7.8
337.08762	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75914	1.3
56.96575	8.4
57.03428	1.5
68.30022	1.1
69.03430	2.8
69.44576	7.7
69.44987	2.4
70.98135	2.6
73.02969	1.1
75.35100	1.1
75.66752	1.1
82.99847	4.5
85.01423	4.0
85.02882	3.0
89.89898	1.2
94.99845	1.6
97.02888	2.7
98.06118	1.5
98.97588	19.2
101.00887	23.2
103.02454	6.1
107.04938	1.9
110.97566	5.0
113.00871	9.5
115.02369	1.2
116.98621	3.5
119.01938	18.9
121.01629	1.6
127.02419	19.5
127.03888	1.3
128.96404	1.3
128.98608	4.5
131.00310	1.2
131.01921	17.3
132.95882	1.2
133.03493	3.9
137.06006	2.3
139.02396	2.8
143.01891	5.8
145.03490	50.9
145.42087	1.2
146.99667	2.8
149.02979	1.6
155.01909	23.7
156.98134	10.4
157.01663	1.4
157.03482	17.0
158.99593	1.3
161.02983	4.9
163.02664	1.5
163.03784	6.0
164.00696	1.3
169.03619	1.6
171.01385	11.1
171.03177	3.7
171.05095	1.6
173.02971	31.5
174.96817	1.4
174.99142	29.5
175.00566	1.1
175.04530	4.6
183.01263	3.5
185.02959	5.6
187.04716	1.6
189.00821	2.7
189.02396	10.6
193.00246	18.3
195.05183	1.4
198.96977	1.3
199.00905	6.5
201.02489	2.8
203.04054	2.2
209.02933	4.1
211.00969	2.9
217.00159	13.5
217.01962	100.0
218.02087	1.4
221.03004	3.6
221.05118	1.8
223.04655	1.7
229.01996	18.8
231.05032	1.4
235.01106	5.7
235.03087	23.2
235.06546	2.4
237.02473	5.4
237.06535	1.5
247.01108	3.8
247.03387	5.8
251.04193	3.0
257.05270	1.6
263.00677	2.0
269.05444	1.8
277.03949	4.0
279.03592	2.2
283.06644	3.1
293.05249	2.0
295.08929	2.5
311.06424	2.0
355.04904	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	336.1806
Annotation	Retroisosenine
Peak:m/z	Relative Intensity
67.05492	1.7
69.07054	3.8
69.85374	4.8
69.91099	0.9
79.05498	15.1
81.07050	5.0
91.05475	3.9
93.07041	2.0
95.08593	1.0
96.08138	24.8
97.06538	14.9
98.06874	5.8
105.07031	2.8
107.04958	1.1
107.07887	1.3
107.08594	17.5
111.08090	6.3
115.05444	2.6
117.06237	1.7
117.07022	23.4
119.08595	7.2
120.08155	4.8
120.08833	0.9
125.05989	1.4
128.10730	12.2
132.08095	2.4
133.08861	2.5
134.09656	24.2
135.08040	4.8
139.03900	3.3
140.04263	2.1
142.08662	2.5
143.08571	1.4
144.08057	3.1
145.06490	6.7
160.07558	3.1
161.08383	10.9
162.09140	9.2
164.07065	3.8
166.64879	1.0
169.10068	1.9
171.11687	1.6
174.11275	5.5
179.03400	1.9
180.03699	1.4
180.09306	2.7
185.11159	6.5
195.11717	3.4
197.11903	1.9
197.13521	1.0
205.01370	1.2
212.14342	29.4
223.02417	6.3
235.09590	1.0
236.10004	5.1
240.13806	9.5
244.16968	7.8
258.14914	14.7
272.16428	4.1
274.17770	1.9
276.09500	5.6
286.14435	2.2
290.17520	100.0
291.18008	1.3
292.08905	1.1
318.17026	30.2
318.20743	1.8
319.08112	1.3
322.10004	4.4
336.17807	2.5
336.22018	1.8
337.09195	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	336.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.8
55.01862	1.0
55.05505	1.9
65.03943	1.7
67.05505	7.2
69.03433	1.4
69.07056	1.3
69.46535	2.0
69.46944	2.1
71.04974	1.7
73.46590	0.7
79.05498	3.9
81.03419	12.2
81.07069	2.8
82.06596	0.9
83.04963	1.3
85.02890	0.7
91.05483	36.8
93.07043	5.5
95.04966	1.1
95.08605	11.6
97.02912	0.8
97.06518	1.4
98.20829	1.1
100.11258	2.8
105.07026	5.7
107.04939	2.2
109.06525	2.0
109.10163	2.8
117.07001	1.6
119.04944	14.3
119.08584	11.7
121.06493	2.2
121.10180	1.1
123.08047	1.5
126.12385	0.7
129.07018	2.3
131.08525	0.7
133.06584	0.6
135.04417	4.1
135.08104	0.7
136.05193	1.7
137.05983	100.0
137.09599	7.6
147.04433	1.4
147.08037	5.6
148.08833	1.2
149.06012	1.3
149.09602	1.1
159.08038	0.7
161.05994	1.7
163.03888	1.5
165.05510	2.8
165.09117	9.7
167.10706	1.2
173.05977	3.6
175.07513	1.3
183.10143	1.7
187.07555	1.7
191.07004	1.1
199.07649	1.4
205.08571	0.7
209.16502	1.9
241.12306	0.9
255.13898	1.7
265.12128	1.9
270.37161	0.7
283.13345	6.1
284.13733	0.6
301.14349	27.3
318.11670	1.3
318.16998	2.7
319.15305	8.2
336.13431	1.1
336.18008	16.4
336.21597	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.174
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34970	0.5
54.27471	0.6
55.05519	7.6
56.01404	0.6
56.05038	16.9
57.07079	1.5
58.06596	0.6
61.01156	39.3
61.04043	1.4
67.05503	2.4
69.07065	0.6
69.94172	3.2
69.99319	0.7
70.06580	0.6
72.08160	15.2
73.06551	1.9
77.36390	0.6
82.06567	2.0
84.04517	1.9
84.07641	1.4
84.08149	27.9
85.04012	1.0
86.09713	3.7
87.01984	1.4
97.06553	0.7
98.06075	3.2
98.21481	1.2
106.06573	1.4
112.11268	1.5
115.08698	15.8
119.06085	6.2
127.08688	100.0
128.09032	1.0
132.04462	2.5
141.06596	22.6
149.13101	0.7
157.13374	65.7
158.13721	0.8
161.10780	2.5
169.13377	71.2
171.63882	0.6
173.10817	1.2
197.96492	0.6
203.11789	3.2
217.13741	6.0
220.79124	0.6
223.02525	0.9
246.12392	23.7
250.06371	1.3
262.04135	0.6
288.17075	32.5
304.10968	0.8
336.13605	2.2
336.17337	13.9
337.09146	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06256	1.3
53.03942	1.7
55.05495	3.2
62.32775	1.6
63.54625	1.3
67.05512	9.3
69.07054	1.7
69.47763	5.4
69.48190	5.8
70.06564	2.1
79.05472	6.3
79.66678	1.4
81.03419	2.5
81.07054	7.3
91.05470	6.3
93.07033	2.1
94.06553	2.9
95.04953	2.0
95.08611	2.5
96.08119	6.4
97.06568	1.5
98.21539	2.6
102.52150	1.5
105.07018	5.8
107.04948	3.8
107.08614	2.1
115.05466	6.1
117.07024	44.3
119.08591	6.7
121.10125	1.6
122.06001	2.7
123.11707	1.5
128.06203	3.7
129.07008	3.1
131.08551	6.0
134.06017	2.9
137.05925	2.2
140.07062	4.9
141.06943	1.7
141.53609	1.6
143.08536	17.6
144.08066	2.2
145.06508	9.6
147.07988	2.0
153.04652	13.0
155.08493	9.5
156.09242	2.2
158.09592	3.0
159.08003	3.2
160.07570	1.6
165.07016	2.7
167.08604	3.3
169.10118	5.8
170.40353	1.4
171.08054	16.0
173.05988	13.9
180.09447	3.3
181.10147	4.0
182.10919	4.5
183.11774	2.4
186.09126	3.2
192.09320	6.0
193.04181	4.4
193.10086	1.9
194.09525	1.8
195.11676	6.6
197.09645	1.9
197.13271	13.9
207.11696	5.6
212.14288	3.2
214.08638	96.4
215.08986	3.0
219.05678	2.6
222.12779	7.3
224.14255	1.8
225.12730	6.1
226.08681	5.9
235.55986	1.6
240.10260	1.6
240.13887	7.6
250.12326	5.5
258.10638	2.1
261.10422	26.1
268.13327	100.0
269.13815	2.2
279.57825	1.5
286.10110	1.8
300.15967	88.8
301.16339	2.6
304.11014	17.5
318.24362	2.3
336.09543	2.8
336.13596	47.6
336.30081	5.0
339.28763	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2581
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
50.44827	0.9
53.03946	4.5
53.66633	1.0
55.01876	1.1
55.05515	21.1
57.03446	20.9
57.07067	2.7
65.03939	1.7
67.05511	80.5
69.06733	1.3
69.07079	17.4
69.25890	7.4
69.26299	2.1
71.04990	1.9
71.08606	1.6
79.05499	39.9
81.07062	77.7
83.04970	1.5
83.08620	7.6
85.06538	2.9
91.05488	22.7
93.07053	50.6
95.04963	2.8
95.08612	61.3
97.06532	2.7
97.10176	3.5
99.08093	1.6
105.06390	1.8
105.07030	15.9
107.08601	25.5
109.06534	2.8
109.10162	26.3
111.08111	1.2
117.07041	6.4
119.08598	11.9
121.09345	1.8
121.10152	19.3
123.08051	2.0
123.11722	9.7
125.09605	1.2
131.08589	7.6
133.10144	9.8
133.57697	0.9
135.11717	15.4
137.09648	2.2
137.13280	2.7
145.10110	5.7
147.11690	7.4
149.09607	0.9
149.13263	10.3
151.11182	1.0
159.11713	6.0
161.13248	5.4
163.14809	4.1
165.12767	1.2
173.13272	4.4
175.14850	2.1
187.14827	4.6
201.16385	2.0
233.22942	1.1
243.21094	6.4
245.09811	0.9
261.22156	11.0
279.23254	1.6
299.23499	1.0
317.24832	1.2
335.25836	100.0
336.25897	1.0
346.54620	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.258
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
51.03007	1.0
53.03934	3.4
53.45847	1.1
55.01857	1.9
55.05516	19.0
55.10616	1.0
57.03163	1.2
57.03444	21.8
57.07061	3.5
58.43436	1.2
65.03946	2.7
67.05510	94.4
68.05843	1.1
68.89388	1.2
69.07072	23.2
70.73887	2.2
70.74232	2.0
71.04987	1.8
77.03942	1.5
79.05500	45.6
81.07059	81.1
83.04987	2.8
83.08620	9.2
85.06537	1.3
91.05489	20.9
93.07050	50.0
93.07648	2.6
95.04977	3.1
95.08614	67.7
97.06509	3.1
97.10162	3.8
97.97230	1.1
105.07033	17.2
107.08602	28.5
109.06515	1.9
109.10163	27.6
111.08090	2.8
116.87029	1.1
117.07064	5.8
119.08588	12.1
121.10151	19.5
123.08079	1.3
123.11714	9.3
125.09615	1.6
131.08563	11.9
133.10121	11.3
135.11696	15.8
135.28531	1.1
137.13226	3.5
139.11185	1.3
145.10153	6.6
147.11707	7.3
149.13263	7.2
159.11728	5.4
161.13298	5.4
163.14807	4.9
173.13235	4.7
175.14751	1.3
177.16415	1.4
187.14807	2.7
228.71591	1.4
243.21175	4.9
261.22153	8.3
279.23135	1.4
317.24777	2.5
335.25827	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2581
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
51.02370	1.1
52.22251	0.8
53.03932	3.4
55.01863	1.4
55.05515	24.4
57.03437	20.8
57.07063	2.7
58.16725	0.9
65.03955	4.5
66.91640	0.9
67.05508	94.7
69.07066	19.9
71.04992	1.5
79.05497	45.4
81.07059	89.6
83.04980	2.5
83.08630	10.0
85.06543	2.5
91.05483	22.5
93.07047	49.2
93.07640	2.3
95.04950	2.4
95.08610	64.1
97.06519	4.1
97.10143	3.9
105.04519	1.4
105.07040	16.2
107.08594	26.3
109.06501	2.1
109.10162	26.1
111.08119	0.9
113.07958	0.9
117.07001	6.0
119.08575	13.2
121.09334	1.9
121.10144	21.6
123.08073	1.7
123.11726	10.4
131.08572	7.8
133.10153	9.6
135.11690	14.6
137.09634	1.9
137.13251	4.0
145.10117	7.3
146.75534	0.9
147.11708	6.1
149.13271	7.0
159.11673	4.9
161.13304	5.1
163.11192	1.3
163.14833	4.2
173.13266	5.4
175.14874	1.6
177.16447	1.1
187.14771	2.4
191.14359	1.6
201.16405	1.5
243.21141	4.3
261.22211	11.1
303.27148	1.1
307.76660	1.0
317.24884	1.7
335.25800	100.0
336.26193	2.1
342.38638	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2579
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03933	3.1
55.05513	22.4
57.03438	20.6
65.03919	4.6
67.05507	95.8
69.07072	27.1
71.08618	1.9
71.49786	2.1
79.05495	50.8
81.07057	95.8
82.95111	1.6
83.05002	1.9
83.08613	7.6
85.06548	2.4
91.05486	25.7
93.07047	51.2
95.04938	3.7
95.08611	73.8
97.06561	3.1
97.10157	3.4
99.08122	2.1
105.07037	16.2
107.08595	27.0
109.06522	1.9
109.09472	2.6
109.10156	32.3
117.07006	4.4
119.08607	11.4
121.10149	22.3
122.95423	1.4
123.08108	1.9
123.11700	11.4
129.36107	1.5
131.08572	10.5
133.10120	11.7
135.08109	1.8
135.11699	18.3
137.13283	3.1
145.10127	6.5
147.11667	5.7
149.09557	1.9
149.13286	8.3
159.11729	3.7
161.13251	6.6
163.14763	3.6
167.79185	1.7
173.13261	5.3
175.14880	2.7
187.14804	2.9
207.62369	1.8
243.21150	3.6
261.22174	10.4
315.62726	1.9
335.25809	100.0
336.26242	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.258
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
50.13402	0.9
53.03928	4.7
55.05510	24.1
57.03438	26.0
57.07066	3.9
65.03929	4.7
67.05505	100.0
69.07068	24.3
70.89407	2.4
71.04993	2.2
79.05494	50.1
81.07057	92.9
81.59753	1.2
83.04969	1.3
83.08613	10.3
85.06549	1.8
91.05478	24.4
93.07045	58.6
95.04972	3.1
95.08607	67.7
97.06512	3.4
97.10152	3.9
98.88883	1.2
99.08059	1.7
105.04541	1.8
105.07033	16.4
107.08598	28.7
109.10160	28.6
111.08089	3.4
117.07021	5.9
119.08578	11.9
121.10150	21.2
123.08058	2.3
123.11688	11.6
131.08583	10.3
133.10124	9.0
135.10715	1.5
135.11697	15.4
137.09688	1.6
137.13255	3.1
145.10104	7.0
147.11688	6.6
149.13237	7.8
151.11145	1.3
159.11707	5.6
161.13231	4.7
163.14801	3.8
171.38258	1.1
173.13295	4.3
175.14761	2.1
177.12770	1.4
177.16431	2.0
187.14859	2.7
199.01790	1.2
243.21188	5.1
261.22086	11.4
335.25803	99.4
336.26184	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.258
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03942	4.0
54.77703	1.5
55.05280	1.7
55.05513	25.3
57.03442	25.7
57.07058	2.8
65.03934	4.3
67.05506	100.0
69.07066	20.1
70.68287	3.5
71.04977	2.8
79.05496	47.4
81.07056	93.2
83.08634	10.2
85.06534	2.7
88.89581	1.7
91.05481	28.4
93.07047	54.3
95.04957	3.6
95.08609	66.9
97.06510	2.4
97.10160	4.4
98.20792	1.4
105.04482	1.4
105.07044	15.1
107.08587	26.7
109.10161	26.8
111.08101	2.2
113.09672	1.5
117.07027	4.0
119.08594	11.3
121.10152	20.9
123.08044	2.1
123.11740	7.8
131.08586	8.3
133.10121	10.2
135.11690	12.9
137.09616	1.7
137.13297	3.1
145.10118	6.1
147.11656	6.0
149.13243	6.6
159.11725	4.8
161.13264	3.6
163.14822	3.5
173.13284	4.6
175.14723	2.5
187.14815	2.5
194.87967	1.4
219.38255	1.7
243.21150	3.0
261.22238	6.0
335.25821	99.9
336.26303	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68518	0.7
52.62841	0.7
53.03945	1.0
55.05490	0.9
56.96566	19.5
56.96848	1.0
57.03444	1.6
58.06591	1.0
61.02926	2.5
69.03435	10.6
70.06596	11.3
70.88374	0.6
70.98133	0.9
71.04991	3.6
71.48144	1.0
72.93799	1.1
73.02921	3.4
81.03426	2.9
84.96019	2.2
85.02911	11.2
86.72109	0.7
87.04466	2.2
88.07637	4.2
88.53397	0.8
89.06016	1.3
97.02900	6.6
98.97590	5.9
98.98454	0.6
99.04427	1.4
100.99139	2.4
101.00918	1.3
103.65968	0.7
107.04955	1.2
109.02865	1.8
110.97578	5.4
113.07120	1.7
115.03879	0.7
116.98629	2.9
119.00190	1.1
119.01962	0.9
123.04427	1.5
124.99109	2.2
125.28657	0.8
127.03909	3.7
128.98601	5.5
131.08160	20.0
135.04456	2.7
136.93192	0.8
137.05959	1.9
140.98607	1.0
143.00174	5.4
144.98079	2.5
145.02820	1.8
146.99687	4.0
154.96568	0.8
155.11819	1.0
158.99651	1.6
161.01222	3.1
163.03899	11.7
165.00771	1.0
170.99661	1.8
172.95558	0.7
172.97594	2.8
173.01207	2.9
173.12866	100.0
177.00726	1.7
178.14209	0.9
185.01239	1.2
189.00734	1.1
190.98647	3.4
191.00174	1.7
191.02272	1.2
193.01883	1.1
193.03525	1.5
200.98666	1.6
201.00674	0.9
203.02179	1.2
208.99698	2.7
209.03021	1.2
211.02817	0.8
213.00790	0.9
214.98584	0.9
215.02296	1.1
218.99661	10.3
219.01741	3.2
221.02948	3.4
228.14371	0.7
234.50798	0.8
234.99043	2.3
237.00705	37.3
237.02774	3.0
239.01727	0.7
249.03017	1.8
255.01781	13.1
260.02182	1.0
267.03873	3.2
273.02957	3.7
285.05136	1.4
291.04050	1.0
292.12897	1.7
312.02408	0.9
316.99371	1.2
317.02585	1.1
335.18103	91.6
336.18402	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.9
55.01635	1.6
55.01869	9.1
55.05504	3.3
60.88829	1.4
67.05503	6.9
69.03431	2.5
69.07072	24.1
70.06075	6.5
70.06441	3.1
71.04980	2.2
74.10631	1.5
77.03905	1.4
79.05494	25.6
81.03414	2.0
81.07061	9.8
81.07454	1.5
83.04979	5.9
85.06529	1.5
91.05480	3.6
93.07026	6.1
95.04944	5.7
95.08608	4.9
97.06532	100.0
103.79181	1.6
105.07030	5.4
107.04948	2.1
107.08596	3.6
109.10162	3.4
111.04427	3.1
117.06969	1.6
119.08561	4.4
121.02843	2.7
121.06501	1.7
121.10162	3.6
123.04432	9.1
123.08054	1.6
131.08607	2.6
133.02869	8.2
133.06480	7.7
133.10123	3.3
134.06837	4.9
135.04414	5.9
135.11659	2.3
139.03911	39.7
139.07521	4.6
143.08560	3.4
145.06473	2.2
145.10101	2.3
147.04399	3.8
147.08058	1.8
149.02351	6.8
151.03903	21.3
153.05455	4.0
159.08162	1.8
159.11751	1.6
161.02339	5.6
161.06030	2.2
163.03909	2.7
171.08038	2.0
171.11530	1.6
173.05992	1.9
175.03925	19.1
175.07507	1.5
177.01820	6.1
179.03404	38.1
187.03937	1.5
187.07513	1.6
188.04759	1.7
189.05466	3.8
189.09125	5.6
191.03419	11.1
191.07120	4.3
195.02933	1.8
203.07016	6.2
205.01389	9.0
205.05029	1.7
205.08604	2.0
207.02872	6.9
217.04999	35.7
217.08525	18.9
221.19243	1.5
223.02364	4.4
225.03960	5.5
230.05769	2.3
231.06497	3.2
231.10234	2.9
235.09665	74.5
239.05531	2.9
247.09654	3.5
249.03938	4.2
249.07603	1.7
251.82309	1.5
259.09631	20.5
275.09134	53.9
291.08655	11.1
291.12289	27.8
303.08615	7.9
317.21066	3.4
321.09702	32.2
335.11148	14.3
335.22345	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.6
53.99781	1.5
55.01867	16.0
55.05500	4.5
61.01142	2.1
63.44631	1.8
67.05495	3.0
68.99784	2.7
69.03419	2.2
69.07073	21.5
69.66855	10.0
79.05074	2.3
79.05495	27.7
81.03394	4.2
81.07057	18.4
83.04975	11.4
91.05469	3.7
93.03413	2.0
95.04979	3.3
95.08572	3.4
97.06532	18.2
105.07026	4.8
107.04938	2.6
109.02860	3.8
117.11255	1.5
121.02857	4.8
123.04456	4.4
128.06265	2.3
131.04904	1.6
132.05655	2.0
133.02870	4.6
133.06474	3.9
135.04416	2.4
139.03900	33.1
143.08563	4.3
147.04448	4.7
147.08038	2.6
149.02350	10.5
149.05933	3.6
151.02751	3.1
151.03906	42.1
161.05949	3.9
161.09555	3.2
163.03896	7.2
165.01865	1.9
171.08051	4.0
174.06813	3.5
175.03918	58.4
175.07486	5.5
176.04691	3.5
177.01852	11.7
179.03392	48.2
187.03963	1.8
188.04677	5.2
189.05466	14.9
189.09084	19.4
191.03391	21.3
195.02893	3.2
199.07596	1.7
202.06200	4.3
204.04201	2.9
205.01343	23.2
205.08643	3.0
206.02127	3.1
213.09096	2.3
215.06981	2.6
217.04977	100.0
217.08530	52.7
218.05434	1.7
223.02383	6.4
223.05881	3.5
225.03909	5.1
230.05711	5.9
231.10190	3.9
235.09680	12.5
237.03967	3.5
239.05453	3.8
249.07611	5.2
257.08090	2.4
259.09662	57.4
275.09305	4.9
285.07712	3.7
291.12277	99.3
303.08676	4.8
309.59552	2.0
314.85724	1.8
321.09723	3.6
335.11325	25.4
335.15271	2.5
335.22150	3.0
350.68140	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72899	31.2
70.00739	100.0
81.04998	32.7
108.12974	29.0
119.01923	42.8
335.07520	45.0
335.11252	69.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75545	0.9
53.03941	1.4
55.01884	5.5
55.05510	5.0
55.64435	1.0
57.03429	1.5
57.07087	5.0
57.07306	1.2
57.92739	0.8
65.03932	1.0
67.05508	11.3
69.03407	1.0
69.07066	6.8
69.74220	5.0
70.06580	1.0
70.49928	0.8
71.08631	11.2
72.04520	80.7
73.22916	0.9
78.74554	1.0
79.05498	7.9
81.07063	17.4
83.04991	1.0
83.08618	1.3
85.06537	2.9
88.07641	2.1
91.05473	7.7
92.52726	0.9
92.53351	1.1
93.07057	15.3
95.04977	17.1
95.08609	17.9
97.06528	6.0
98.98499	1.4
99.08082	6.0
100.07608	2.9
105.07038	8.8
107.08604	13.1
109.06528	25.5
109.10139	4.8
114.09175	19.4
117.07018	2.2
119.08595	7.2
121.06512	4.2
121.10166	4.5
123.08099	1.7
128.10736	8.2
131.08548	4.5
133.06578	1.0
133.10118	9.7
135.08031	3.1
135.11693	1.6
137.05957	1.4
137.09615	2.3
140.10707	1.5
142.12285	4.9
145.10080	3.2
147.08144	1.0
147.11696	5.1
149.09625	2.8
149.13243	3.5
154.12225	1.1
156.13853	2.6
159.11693	2.1
161.13258	1.2
163.11258	1.5
163.14763	2.3
165.12764	100.0
166.12254	1.1
168.13797	1.3
170.98157	0.9
173.13260	7.2
175.11198	4.7
176.20592	1.0
179.14342	1.8
180.13852	2.4
182.15427	17.1
184.13329	2.7
184.16978	2.1
187.14757	1.1
191.14310	9.9
194.15453	1.7
201.12756	5.1
212.16492	10.0
215.14423	1.7
220.16986	10.1
229.19525	3.9
236.20114	39.0
238.21506	1.2
253.19591	1.6
261.22156	1.0
266.21103	1.2
271.20566	7.5
278.20944	1.1
289.21567	9.1
316.26324	5.8
334.15817	1.5
334.23483	2.3
334.27393	45.1
335.21811	1.0
335.25821	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	334.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	6.3
58.99576	3.6
65.03926	1.7
65.15018	1.4
65.27043	1.5
67.05508	49.2
69.07084	10.1
69.86217	6.1
71.04999	9.5
74.33531	1.6
76.02222	9.0
77.52826	1.7
77.75845	1.4
77.83258	1.5
79.05494	25.6
81.07059	100.0
81.28829	1.5
83.04977	8.9
83.08612	5.3
85.06548	5.9
86.99026	2.6
91.05489	16.3
93.07053	43.8
95.04984	2.2
95.08611	37.9
97.06532	15.3
99.08093	6.1
105.00096	6.2
105.07034	12.4
107.08583	14.0
109.06541	3.9
109.10131	1.9
111.08092	3.0
117.07018	12.1
119.08601	7.9
121.06509	3.7
121.10136	7.2
122.02732	58.9
122.72839	1.6
123.11703	7.3
131.08600	11.5
133.10150	15.2
135.08072	4.7
135.11696	31.1
147.11684	14.9
149.13269	21.8
159.11691	34.2
165.12747	13.8
177.12743	31.0
183.13780	2.9
191.07028	3.2
195.13802	37.5
235.09776	1.7
334.16589	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04820	0.3
53.03936	0.6
55.05503	0.4
62.26141	0.3
66.62620	0.3
67.05505	0.4
69.77722	0.8
69.78122	1.3
70.06599	0.9
79.05492	4.7
81.07057	0.7
88.07616	0.8
91.05488	0.4
94.67379	0.3
95.04979	0.4
95.08578	0.4
96.08119	1.2
97.06555	0.4
98.98440	0.5
103.05481	1.2
105.07034	24.0
120.05715	1.2
123.08064	4.6
128.10725	1.0
131.08560	0.4
132.10222	1.5
133.06499	100.0
134.06799	0.9
140.07059	0.4
199.24623	0.3
256.13367	0.4
260.16492	1.0
288.15948	0.9
302.13831	0.5
310.92413	0.3
322.37952	0.4
334.29562	5.5
337.14673	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1651
Annotation	Egonine
Peak:m/z	Relative Intensity
53.03924	1.6
58.25898	1.7
67.05488	2.9
69.07052	4.5
69.45153	3.9
69.45563	8.9
73.06523	3.5
75.58416	1.8
79.05497	12.6
81.03423	3.0
81.07037	4.7
94.06565	6.2
95.04944	3.4
95.08617	2.2
96.08136	19.2
97.06535	26.7
103.05503	1.8
105.03377	7.1
105.07022	7.4
107.08585	2.1
109.10092	1.9
111.08054	3.2
115.05465	18.1
116.06250	2.2
117.06996	6.0
119.08559	4.4
122.06037	6.3
123.04430	2.3
128.07062	2.3
128.10725	6.1
129.07051	2.6
131.04926	2.1
132.08069	2.3
133.06511	19.2
139.03905	4.9
141.06931	2.3
143.04927	14.9
145.06474	4.2
157.06435	5.6
160.07553	6.8
164.07068	1.6
165.07069	2.2
166.07748	1.8
169.06491	2.2
171.04427	42.4
172.05052	2.6
175.07603	1.7
178.07753	2.5
179.03404	3.9
180.09323	2.2
181.10042	2.4
185.06023	3.7
189.01950	1.6
189.05463	22.2
193.10075	4.8
195.11642	4.1
200.07069	8.9
200.55379	1.8
212.07077	25.5
213.07767	3.2
214.08655	4.8
220.11189	2.7
221.09631	8.9
223.11162	14.4
230.08099	13.1
235.09645	6.2
238.12256	5.1
239.10738	1.9
241.12183	7.4
249.09105	5.4
251.09453	2.5
266.11734	21.4
267.12411	6.8
275.09119	5.6
283.12009	12.5
284.12881	13.0
286.14236	2.5
298.14386	100.0
316.15457	83.1
317.15710	2.7
321.09662	5.6
334.16458	7.5
334.20245	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	334.1647
Annotation	Egonine
Peak:m/z	Relative Intensity
51.22593	1.3
52.42843	1.1
52.53671	1.2
56.28012	1.2
56.77913	1.2
58.24093	1.1
67.05483	2.3
69.03404	1.9
69.07069	1.5
79.05484	6.5
81.03426	1.9
81.07069	3.9
85.02895	4.5
85.26138	1.3
85.40643	1.4
89.45554	1.3
91.05476	2.9
93.06991	1.2
94.06551	5.2
95.07362	1.3
96.08134	20.9
97.06532	6.7
103.05486	3.3
105.03407	7.1
105.07027	7.9
106.68800	1.3
107.04955	2.8
109.06548	1.7
111.08081	5.3
114.19302	1.2
115.05453	16.8
117.07031	4.6
119.04938	1.4
122.06033	5.4
128.06198	2.0
128.10742	4.4
129.07011	3.4
131.04909	1.8
133.06487	10.4
141.07037	2.8
143.04916	15.8
143.08560	2.2
145.06477	2.3
146.05948	1.3
147.06898	1.3
148.07608	1.4
155.08542	1.5
157.06487	4.6
163.03880	1.4
165.07016	3.0
166.07825	1.6
167.08580	2.0
169.06480	2.6
171.04414	40.0
171.08083	3.3
172.05078	1.4
176.10677	2.3
177.07913	6.1
178.07846	3.1
179.08630	1.8
181.06424	1.6
181.10133	2.7
185.05829	1.4
188.07091	1.9
189.05479	25.4
189.09158	2.2
191.07095	2.7
193.10115	4.6
195.08072	3.0
195.11783	4.0
200.07057	11.4
201.11351	1.3
202.12279	2.7
203.08665	1.4
205.10367	1.5
208.08835	1.4
210.12784	2.1
212.07068	23.6
213.07797	3.3
213.13025	1.6
214.08577	4.3
220.11224	1.8
221.09615	6.1
223.11240	13.8
229.11008	1.9
230.08119	11.1
231.06348	1.4
238.12277	5.4
239.10677	2.0
241.12254	5.8
246.23560	1.5
248.10641	2.2
249.09135	3.9
253.12299	1.4
254.11823	2.6
255.13905	2.0
256.27930	1.4
258.14938	1.9
266.11746	21.2
267.12595	4.7
273.13669	3.7
283.12100	12.6
284.12842	11.0
286.14426	1.7
298.14380	100.0
299.14584	2.1
302.17538	17.9
316.15439	74.7
320.08408	1.7
334.16583	2.6
334.20087	36.6
351.82816	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49453	1.1
55.01867	1.5
55.93526	1.5
56.96548	2.0
57.03428	1.5
61.02913	3.2
61.83677	1.2
69.03429	6.5
71.48901	2.2
72.93826	1.3
81.03425	2.7
85.02906	24.4
91.03901	1.3
91.05476	11.0
97.02891	7.8
98.98448	2.7
99.04470	1.8
107.04974	1.5
109.02851	2.9
110.07160	2.1
119.04953	8.7
121.58341	1.1
127.03917	4.6
137.05984	100.0
139.03978	1.4
144.95857	1.4
145.04964	5.0
155.07072	7.9
158.97437	1.8
179.07092	2.1
180.08678	3.1
182.80870	1.2
191.07034	1.4
203.06894	1.8
204.07814	1.4
218.99777	1.5
234.99037	7.4
237.00687	5.3
252.97929	1.4
260.03439	2.1
306.77634	1.3
334.13461	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.9
55.05512	0.7
56.01398	0.7
56.05039	1.8
58.02960	1.1
61.76723	0.3
62.04436	0.2
65.03941	0.9
67.05505	6.0
69.03430	40.5
69.07041	0.3
70.06598	1.5
71.03178	0.6
77.48927	0.2
79.05492	2.4
81.03416	3.3
81.05807	0.8
81.07054	0.8
82.06587	0.4
85.02955	0.3
91.05550	0.3
94.06606	0.3
95.04975	2.7
96.04490	0.5
96.08128	0.9
109.02894	2.8
114.16397	0.3
122.06035	0.5
124.07594	0.8
129.86145	0.3
135.46800	0.2
137.05933	0.4
139.96222	0.2
140.07101	0.8
150.03989	0.3
152.07068	100.0
153.07368	1.3
156.84099	0.3
161.05920	0.3
164.07121	0.4
174.09195	0.3
180.06502	0.4
186.75778	0.2
188.07083	0.4
198.07555	0.4
202.08589	0.9
211.86247	0.3
220.09744	0.4
230.08028	0.4
231.06493	0.3
248.09192	4.3
258.14838	0.3
266.03497	0.3
300.36978	0.3
334.09201	2.2
334.16504	0.5
334.20105	0.7
358.99033	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.6
53.96169	2.2
55.01869	3.5
55.05507	12.8
57.03448	4.0
57.07076	25.8
67.05505	22.2
69.07057	7.0
69.26891	21.8
71.05000	4.6
71.08630	100.0
71.37422	2.3
77.76865	2.3
79.05494	22.4
81.03419	5.4
81.07057	25.2
83.04974	5.1
83.08624	3.9
85.06550	4.9
85.10174	10.6
89.06020	22.1
91.05479	43.9
93.07053	23.3
95.04966	5.8
95.08605	11.6
97.06519	5.2
98.98473	21.5
99.08097	65.5
103.05460	3.6
105.07019	26.4
107.08591	6.6
109.10154	4.4
115.05464	4.7
117.07021	29.1
119.08578	27.1
121.06511	3.5
121.10155	5.4
123.08103	5.4
123.11702	2.7
127.11119	3.5
128.06233	3.0
129.07031	13.2
131.08543	14.9
133.10136	14.5
135.08067	3.8
135.11691	5.0
141.07008	8.7
141.12756	5.0
143.08549	14.1
143.89735	2.5
145.10121	25.6
147.08072	4.0
149.09651	3.1
151.09654	9.1
151.11172	17.1
153.12729	3.2
155.08591	4.2
157.10167	7.5
159.11717	9.3
161.09669	11.5
161.13303	3.5
167.08578	4.0
169.10129	25.8
175.11237	2.9
177.12729	2.3
179.14297	6.8
181.10149	4.0
185.13246	13.1
187.11191	28.3
187.14862	2.6
189.12753	3.1
191.14287	2.9
199.14778	3.0
203.14339	18.7
217.15906	6.7
219.13805	26.9
233.15298	2.2
239.17996	3.9
241.19440	3.5
283.20609	7.6
291.18933	2.8
301.21640	9.5
333.24399	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	333.2061
Annotation	Gibberellin A12
Peak:m/z	Relative Intensity
53.03941	2.1
54.37563	0.8
55.01859	3.5
55.05500	3.2
57.03442	7.3
57.07054	1.2
61.02906	1.7
65.03938	1.5
67.05506	9.7
69.03412	1.9
69.07072	28.1
69.67787	3.9
71.05000	1.0
79.05499	18.5
81.03415	2.6
81.07057	10.9
83.04961	0.8
83.86472	0.8
85.06543	1.5
91.05486	7.3
93.07048	8.1
95.04971	3.7
95.08005	0.7
95.08607	17.9
97.06536	100.0
98.20792	1.0
98.98481	16.6
105.03400	1.3
105.07034	9.6
107.08603	6.6
109.02872	2.7
109.06493	1.9
109.10171	2.6
111.08078	3.4
115.05379	1.1
117.07021	3.4
119.04958	1.9
119.08582	9.6
121.02875	20.4
121.06505	2.0
121.10138	4.0
123.04381	0.9
123.08087	2.1
123.95800	0.9
127.03962	4.2
128.06216	0.9
129.06981	3.6
129.09119	24.5
130.40514	0.9
131.04964	1.1
131.08578	6.7
133.06500	1.8
133.10101	3.8
135.08037	1.7
135.11664	1.5
137.05988	1.1
137.09518	1.0
141.06973	1.5
142.07814	1.0
143.08551	5.9
144.09305	0.8
145.06459	1.9
145.10127	6.4
147.04382	1.2
147.08038	2.5
147.11662	4.4
149.06067	1.1
149.09625	2.0
151.07558	0.9
155.08586	2.8
156.09398	1.4
157.06508	1.6
157.10118	7.4
159.08057	1.3
159.11725	6.0
161.09653	2.2
161.13319	0.9
163.11171	2.0
165.06992	1.2
167.08519	1.4
169.10138	4.7
171.08034	2.5
171.11725	4.3
173.05975	1.0
173.09648	5.6
173.13332	1.2
175.11154	2.0
176.98930	1.8
177.01833	2.3
180.09251	1.1
181.10103	2.7
183.11693	3.3
185.09651	1.0
185.13260	7.4
187.11171	2.5
189.12817	1.4
191.10692	1.2
193.10138	0.8
195.11670	2.7
197.13245	4.3
199.11200	2.1
199.14845	3.0
201.12756	1.8
203.14272	1.3
203.48431	0.9
205.01341	5.0
209.13248	3.5
211.14853	2.6
213.12755	1.9
213.16325	1.5
215.04414	0.8
215.14252	1.1
218.18918	0.9
223.02388	87.0
223.14850	2.6
224.02713	0.9
225.16357	2.4
227.14331	2.7
227.17873	2.1
231.07684	1.1
239.17926	5.9
241.15799	2.1
241.19579	6.5
245.09212	1.0
251.17969	9.4
252.30881	0.9
253.19583	4.0
255.13687	0.8
257.19040	1.5
263.10284	1.1
269.19012	31.3
279.17435	3.1
287.20026	11.1
289.10205	0.8
297.18530	16.4
315.19525	12.6
316.19739	1.9
319.08200	1.4
333.10629	3.3
333.16739	2.2
333.20752	6.5
351.10742	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	333.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29786	0.5
55.05499	0.9
57.03439	0.7
57.07063	0.7
67.05479	1.0
69.07079	1.1
69.70168	3.5
70.06589	1.2
71.08614	0.8
79.05487	1.0
81.07053	1.9
87.04433	0.7
88.07619	0.8
91.05473	2.0
93.07017	1.3
94.04182	1.4
95.08604	1.2
98.20786	1.1
98.98474	12.1
100.98872	1.3
105.07034	1.6
107.08565	0.9
107.11775	0.6
109.10188	0.7
119.08575	2.0
121.10119	0.7
122.03648	1.6
124.00498	0.6
129.06981	0.6
131.08522	0.9
133.10109	1.1
137.04915	0.8
137.05974	16.8
138.06310	1.2
147.11612	0.7
149.02478	0.6
176.98912	1.4
184.10771	0.6
191.42232	0.6
193.04910	1.1
210.99118	0.6
235.13066	1.3
250.27635	0.6
251.12543	1.0
302.24094	0.9
315.19604	0.7
333.20367	100.0
345.10275	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07077	1.1
58.29568	0.9
67.05497	1.2
69.07049	1.1
69.70201	4.6
71.08645	0.9
79.05504	2.1
81.07074	1.4
91.05481	1.3
93.07037	2.1
95.08601	1.0
98.98475	9.1
105.07031	2.2
107.08604	1.2
119.08588	1.3
121.10136	1.1
129.07008	0.8
131.08612	1.3
137.05977	2.9
143.08604	1.0
145.10091	0.9
149.02357	0.9
166.16545	0.8
176.98921	1.1
235.13007	1.0
301.21835	0.9
311.96005	0.9
315.19580	1.2
333.20386	100.0
334.29132	0.8
342.91568	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17519	0.6
55.05501	1.1
68.83493	0.6
70.39248	2.3
79.05489	1.4
81.07048	0.9
91.05524	0.7
91.55594	0.6
93.07062	1.5
95.08604	1.4
98.60229	0.7
98.98471	7.9
105.07005	2.1
105.87572	0.8
121.06489	0.8
121.10120	0.8
122.03596	1.1
131.08545	1.6
137.05975	2.8
157.10179	0.9
159.11722	0.8
176.98996	1.3
295.34045	0.7
302.23969	1.0
333.20364	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1158
Annotation	Tos-Arg-CH2Cl
Peak:m/z	Relative Intensity
52.95314	1.0
55.01441	1.0
56.96561	2.8
62.44292	1.0
69.03418	1.3
69.76245	4.0
71.46386	1.0
76.95504	0.9
84.74914	0.8
85.02899	3.1
86.03255	0.9
91.05525	1.5
97.02878	1.6
98.97562	1.3
98.97726	1.2
98.98473	23.6
100.98893	2.0
107.04953	2.1
116.98626	1.1
119.04977	0.9
123.05600	2.0
131.00157	0.8
136.06207	1.4
137.06012	3.1
163.03951	1.3
171.06293	1.4
174.05411	0.8
176.98929	3.1
181.01486	0.9
234.96910	0.9
234.99039	2.6
253.00241	1.4
273.09464	1.5
298.07874	0.9
315.09637	1.2
315.16690	1.1
333.11557	100.0
333.18042	2.7
334.11865	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0665
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77303	1.2
56.96566	16.2
57.05554	1.3
58.99853	2.4
60.04526	1.3
61.02922	1.3
63.55714	1.5
68.98280	1.6
69.03420	4.6
70.06600	2.5
70.98119	3.3
70.99867	1.9
71.01341	2.7
71.04990	1.2
71.27671	1.4
71.48837	2.4
72.08142	1.5
73.02917	1.5
78.86184	1.4
80.19800	1.4
81.03406	2.5
81.07066	1.2
82.99859	2.3
84.04511	1.5
84.08140	2.1
85.01410	2.6
85.02902	6.8
85.06539	1.5
86.09728	1.5
86.99340	3.0
88.99129	2.0
89.02379	2.8
97.01382	1.6
97.02888	3.8
98.06078	2.2
98.97572	11.4
98.98485	11.6
99.00794	3.3
101.00892	12.8
103.00592	2.2
107.04958	3.6
108.08082	2.1
109.01380	2.9
110.01449	1.4
110.06045	1.4
110.97567	5.4
113.00893	8.0
115.00710	1.5
115.02448	5.0
116.98647	4.3
117.04003	3.4
117.07032	1.6
119.01921	14.8
121.01627	1.6
122.01411	4.4
124.99128	3.3
127.02412	20.6
127.03903	2.7
128.98613	6.1
129.03981	5.0
131.01913	26.9
133.03477	5.8
135.05002	1.4
137.01933	2.9
137.05956	4.9
140.98607	3.7
141.03970	1.8
143.00136	4.7
143.01888	10.0
143.05524	2.4
145.03470	60.2
146.99658	6.6
147.01399	2.1
149.02962	5.0
149.40526	1.5
149.99727	3.1
151.02422	3.9
152.02351	1.8
153.00363	1.4
153.03934	5.1
155.01884	10.2
156.98106	3.2
157.03453	6.6
157.06332	1.4
158.99646	10.7
159.01428	2.6
159.05096	3.2
161.01161	1.5
161.02963	7.9
163.03906	4.0
165.00673	2.4
169.03477	75.4
170.99812	3.1
171.01407	5.7
171.05098	15.4
172.97635	2.0
173.02974	15.1
173.06644	2.2
173.12868	2.1
174.99164	10.9
175.00922	3.7
175.04539	2.8
176.99001	2.9
177.00710	5.2
177.02438	7.1
177.03851	1.5
179.01942	2.3
181.03473	3.3
183.01509	1.9
183.05034	6.8
185.02943	6.9
185.06549	2.1
187.04520	47.0
189.00768	3.5
189.02434	2.8
189.06174	3.6
190.98604	1.6
193.00218	8.0
195.01433	2.2
197.02916	15.8
197.06445	1.5
199.04593	5.9
201.00888	2.2
201.02487	11.1
201.06110	2.3
203.00458	2.0
203.03989	10.6
205.00114	6.8
205.05605	1.6
209.02803	6.6
211.04488	2.7
212.92497	1.7
213.02484	4.7
213.06128	3.1
215.03943	12.3
217.01917	2.9
217.05635	1.9
219.03545	4.1
221.04984	9.2
223.01299	2.3
223.04672	3.3
225.02498	3.2
225.06087	3.2
227.04018	55.7
227.06183	2.9
229.02002	5.9
229.05606	4.7
231.03488	5.2
231.07196	2.2
232.99564	1.8
233.05037	8.4
235.06601	1.9
241.05594	2.1
243.03647	4.5
245.04942	10.0
246.11314	1.7
247.03122	3.1
249.02832	2.0
251.04002	4.0
251.06204	16.1
251.08038	1.4
253.02122	2.9
255.03581	5.5
261.04605	2.5
269.05112	6.3
269.07434	4.1
271.03067	4.9
273.04691	3.0
273.08176	2.8
280.97827	2.2
287.06174	24.8
287.09787	6.2
290.57764	1.7
291.03253	1.5
297.04614	2.9
301.03793	1.9
305.07217	8.2
305.10907	6.0
306.59280	1.4
315.05698	10.4
315.17007	10.4
315.59457	4.4
333.06717	100.0
333.11169	13.6
333.17450	6.5
351.07770	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.8
55.01869	2.5
55.05511	10.8
57.01815	0.9
57.98805	0.9
58.99591	4.3
59.04996	2.7
63.09626	0.8
67.05506	16.7
69.07070	1.7
69.21859	6.6
69.22261	2.0
71.05003	4.5
75.10847	1.0
76.02219	12.5
79.05490	26.7
81.07060	20.9
83.04978	6.9
85.02904	1.5
86.99054	3.5
87.04449	1.2
91.05482	44.9
93.07041	30.7
95.04974	2.2
95.08607	2.8
97.06527	2.3
101.06013	2.5
103.05488	2.3
105.00102	5.7
105.00748	1.0
105.07032	96.9
107.04934	1.0
107.08598	17.5
109.06529	4.9
115.05460	2.1
116.06239	3.2
117.07001	4.5
119.04935	1.7
119.08580	32.6
121.06472	1.1
121.10144	27.4
122.02728	63.4
123.08040	1.1
129.07005	16.2
131.08568	100.0
133.06432	1.9
133.10127	45.6
135.11676	10.3
137.09563	1.0
142.07751	5.5
145.10133	10.9
147.08066	2.9
147.11699	24.0
149.09613	9.0
157.10136	14.7
158.40976	1.1
163.11180	16.7
165.12756	1.6
167.10674	2.5
175.11180	56.3
181.12238	15.0
193.12241	26.7
221.57849	1.0
332.15164	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09742	0.7
55.01860	0.8
55.05496	2.7
57.81554	0.8
65.93340	0.7
67.05497	3.0
69.07069	5.3
69.42029	1.9
69.42438	3.5
73.63761	0.7
76.02235	2.2
79.05492	11.0
80.81316	0.7
81.07063	5.0
83.04974	3.2
88.03995	1.7
91.05485	36.9
93.07047	8.6
95.04990	4.0
95.08590	1.1
97.06531	1.3
98.98482	1.5
103.05532	1.0
105.07034	40.7
107.04971	2.3
107.08610	5.2
109.06507	4.2
109.10172	1.0
114.30302	0.8
119.08585	15.0
121.10146	1.0
122.02731	6.1
123.08051	1.3
125.05978	3.3
131.08572	8.1
133.06551	1.8
133.10136	100.0
134.10486	0.8
137.05972	6.4
139.07561	3.2
144.23059	0.9
145.10139	0.9
147.11691	31.0
149.09677	1.1
151.07498	4.2
151.11195	9.9
152.65410	0.8
155.07051	2.4
157.10162	1.5
165.07329	0.9
165.12758	1.4
167.10641	1.1
175.11197	11.0
193.12250	44.4
211.13245	9.9
243.10516	1.3
250.12637	1.6
254.12350	0.7
254.45792	0.7
272.10013	1.1
297.11627	1.6
308.76227	0.8
314.10999	1.3
314.14316	2.7
315.12607	4.7
332.15259	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	332.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08140	3.5
55.01871	6.6
55.93535	4.1
56.96566	9.8
57.03438	4.1
58.08151	3.3
61.02932	12.0
64.25319	3.4
65.03988	3.8
69.03436	17.4
71.05000	4.1
71.48177	3.6
72.08149	3.9
72.93794	3.6
76.03210	3.0
81.03412	9.1
85.02913	100.0
86.09718	9.8
88.02194	4.1
91.03967	5.8
91.05473	11.6
92.03375	3.9
93.03436	4.6
94.22469	3.3
95.04987	3.8
97.02890	29.5
98.97543	7.8
98.98481	98.9
105.07044	4.2
107.04963	41.8
109.02876	7.5
110.07172	6.0
116.98663	3.5
119.04953	7.8
123.04488	6.6
123.05524	5.4
125.05991	7.7
127.03918	24.8
131.08588	15.1
132.95862	6.9
134.02745	3.8
135.04378	5.0
136.06190	3.5
137.06012	17.5
145.02893	5.3
145.04976	49.1
145.10115	8.7
147.04428	14.5
149.05981	3.8
152.98575	3.3
153.05473	29.3
156.07732	3.8
160.59766	3.2
163.03880	4.5
163.06067	3.5
167.08427	3.8
170.08128	4.3
173.06017	6.4
176.98975	4.4
177.05531	6.6
177.99216	4.1
180.08643	5.6
193.11627	3.4
195.06577	7.9
214.07614	3.3
219.01830	4.5
219.06439	5.5
227.08244	5.9
255.01891	5.4
262.98447	5.3
269.09119	7.1
273.02814	7.9
291.10263	3.5
297.08539	11.8
314.11179	10.7
315.08679	6.9
332.12317	36.9
332.20639	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	332.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95378	0.5
55.01876	1.0
56.96564	1.1
69.58443	3.5
70.06590	0.6
72.08173	0.7
83.78896	0.5
84.04519	0.7
85.70737	0.5
86.09721	2.6
91.05496	4.1
93.07073	0.6
96.90966	0.5
97.02843	0.6
98.97557	1.4
98.98476	20.1
100.73975	0.6
100.98927	0.5
102.05504	0.6
105.07065	0.8
107.04935	1.1
110.07114	0.5
111.04489	0.9
116.97684	0.6
116.98570	0.9
117.03355	0.7
117.07007	0.6
119.04940	4.5
121.06499	0.8
123.04453	1.1
123.46860	0.6
129.06958	0.9
131.08583	3.8
135.04416	0.8
136.06165	1.0
137.05994	4.5
139.03923	0.7
145.02852	1.5
145.06435	0.7
145.10124	2.1
147.04424	13.1
149.06023	0.7
153.05449	1.0
156.07666	1.0
158.00012	0.7
160.07562	0.9
171.09235	0.8
173.05997	1.5
173.09238	1.0
176.98975	1.0
177.05499	2.2
185.10754	0.8
188.07063	2.1
191.10658	1.0
195.09215	0.8
196.07538	0.7
199.08777	4.0
213.10236	3.9
215.08075	0.7
216.06586	1.9
219.01826	1.0
223.07677	0.8
225.10304	0.9
227.08182	24.7
233.09198	0.7
240.08951	0.8
241.09773	25.2
243.07756	1.7
255.07660	12.2
256.08499	1.6
269.09256	29.4
272.98483	1.4
286.11911	6.3
287.04852	0.5
297.08746	48.6
298.08945	0.6
314.11368	44.4
314.19556	1.9
315.08871	2.5
332.12427	100.0
333.12738	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.113
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74806	1.9
55.01872	4.4
56.17346	1.8
56.96554	6.0
63.39239	1.9
65.03934	3.6
68.99793	3.9
69.56176	2.8
69.56589	10.4
72.08165	2.7
75.21475	2.1
84.08104	2.7
84.95999	2.4
85.02890	3.0
86.09721	3.7
88.02208	5.3
91.05486	16.2
92.68543	2.1
95.04987	3.3
96.08207	2.1
97.02911	2.6
98.97572	5.9
98.98462	55.6
103.05458	4.8
105.07041	3.0
107.04978	4.4
115.05449	2.8
116.98614	2.9
117.06998	4.1
119.04938	24.7
123.04463	10.0
123.05367	2.5
125.02351	5.9
128.06201	6.0
129.06979	4.1
131.04913	19.2
131.08554	2.7
133.06483	5.7
134.02686	3.5
135.04420	2.2
137.06021	11.4
139.03918	8.1
143.00221	2.8
143.08565	2.5
144.05721	6.7
145.06479	8.6
147.04411	59.2
149.02361	2.6
149.06007	4.0
151.03883	4.5
152.06194	2.9
153.05434	3.8
153.07004	4.3
157.06505	8.6
159.04408	19.2
160.05219	12.1
163.03960	2.5
165.05510	5.5
165.06929	3.0
166.07678	2.4
167.08559	13.1
171.04425	8.2
171.08058	14.4
173.05992	2.4
173.09525	2.0
174.99249	2.7
175.07567	3.1
175.23863	2.2
176.99043	2.4
177.05507	3.4
177.06973	3.2
179.08537	2.4
181.06528	5.1
185.09584	4.1
189.09256	3.0
195.08041	19.2
198.06743	2.6
199.07507	25.6
205.06462	4.7
209.06009	3.1
213.09119	7.0
219.01764	4.0
223.07550	30.6
223.09534	3.4
226.06337	4.0
227.08109	8.6
233.05951	2.5
237.00702	2.4
238.36575	2.1
240.07834	2.7
241.08717	28.8
250.14514	2.1
251.07045	17.6
255.01758	5.5
255.07585	6.1
260.57761	2.1
269.08044	100.0
271.09586	3.3
272.98444	6.8
273.02798	3.6
279.06458	7.4
286.11554	3.2
297.07574	84.1
298.07809	2.8
314.11295	22.7
315.08640	43.4
332.12033	60.4
332.20813	3.7
333.11752	2.3
352.46054	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.0658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07624	4.2
55.01867	9.1
56.96303	7.8
56.96568	100.0
61.02927	9.5
63.37899	4.3
67.05473	4.5
69.03429	23.1
69.16727	5.1
69.25896	5.0
69.57961	25.5
70.06579	7.0
72.08147	7.4
73.02916	6.5
79.05489	5.6
81.03429	9.8
84.04524	6.2
84.08170	9.3
84.96030	8.2
85.02917	31.1
85.03358	7.1
86.09650	6.6
87.04440	5.0
91.05500	7.4
96.97469	4.9
97.02880	18.8
98.21493	9.9
98.97585	61.8
98.98455	86.4
101.00876	7.5
102.00945	4.9
106.06531	7.4
107.04951	13.2
108.07441	9.0
108.08121	93.6
109.02856	7.2
110.97548	15.0
112.07584	9.4
116.98675	24.6
119.01928	13.6
120.02031	7.5
123.04414	8.7
124.07566	13.4
124.99133	37.0
127.03875	12.8
128.98582	18.9
131.01842	10.5
132.95869	5.7
134.06020	12.6
134.99640	5.3
135.04420	5.1
136.06146	11.3
136.07568	13.0
137.05983	46.2
137.51219	4.7
143.00185	55.7
143.01884	9.4
146.99619	12.7
150.05507	6.4
152.07082	70.5
152.98563	14.5
153.05460	10.4
158.06700	7.4
158.99559	7.4
161.01244	24.8
161.02872	5.0
161.05431	6.5
163.03914	22.4
165.00659	5.7
167.00183	5.6
170.05595	8.6
170.08128	8.5
170.99631	34.9
173.02878	6.3
175.00722	5.8
175.02634	6.6
177.00679	10.2
185.01189	21.7
185.02788	6.7
186.99039	7.2
187.02766	10.7
187.04482	10.7
189.00682	22.8
193.01804	10.8
194.99658	6.8
202.09294	5.0
203.02252	12.4
205.00095	10.4
206.53485	5.2
210.88200	7.8
211.02806	9.7
212.07581	8.5
213.00691	19.0
221.03024	5.9
231.01718	24.0
237.00710	14.6
241.56779	6.2
245.13631	16.4
249.02802	36.7
255.01784	44.2
260.09732	8.7
267.03867	18.9
269.05368	5.4
269.08136	18.3
273.02884	36.6
285.04956	9.8
288.17896	6.8
290.05066	6.1
291.03891	82.5
297.07510	14.0
309.05069	73.0
314.12378	43.7
315.08588	13.3
327.03571	6.3
332.09491	12.6
332.13226	47.5
332.20670	12.9
350.10599	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	331.2843
Annotation	Monopalmitin
Peak:m/z	Relative Intensity
50.90219	1.6
55.05298	1.3
55.05515	12.6
57.03428	5.7
57.07080	100.0
57.87218	1.7
66.01522	1.6
67.05508	23.4
69.07072	16.3
70.06571	2.4
71.08636	73.1
75.04471	3.2
81.06591	2.6
81.07056	34.1
83.08620	21.9
85.10188	36.7
88.07651	1.9
89.06028	1.8
95.08613	48.6
97.10189	10.1
98.98467	9.6
99.11707	2.7
103.07551	2.0
109.10162	26.6
111.11742	4.5
123.11713	12.0
125.13114	1.8
137.13263	5.2
139.14905	1.5
146.26395	1.5
151.14749	2.4
157.05371	1.5
239.23706	17.1
241.81076	1.7
257.24768	6.8
268.18811	1.5
313.27393	62.9
327.91135	1.8
331.34018	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	331.2843
Annotation	Monopalmitin
Peak:m/z	Relative Intensity
55.05518	14.1
57.03452	8.8
57.07079	100.0
67.05502	29.3
69.07065	17.1
69.23747	14.8
70.06600	2.8
71.08634	68.9
75.04471	3.6
76.03909	1.5
79.05487	3.5
81.07056	32.9
83.08626	24.4
85.10186	37.0
88.07628	2.8
89.06064	2.3
93.07047	2.2
95.08609	60.7
96.55972	1.5
97.10160	12.6
98.97879	2.9
98.98479	46.1
99.11708	3.0
100.98899	2.0
103.07579	1.9
103.71368	1.5
109.10152	24.3
111.11745	3.6
115.89749	1.7
123.11710	12.2
125.13247	3.5
137.13239	4.0
151.14914	1.9
176.98965	2.1
191.63142	1.9
223.93758	1.8
239.23697	16.3
257.24820	7.2
313.27414	56.4
331.34030	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	331.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	6.7
57.03437	3.2
57.07082	56.0
62.57185	1.3
67.05249	1.4
67.05515	16.6
69.07068	10.9
69.34138	11.1
69.34557	3.6
69.69407	1.4
70.06597	2.7
71.08636	37.7
79.05476	1.4
81.07057	18.4
83.08619	15.6
85.10184	20.7
88.07618	2.8
89.82787	1.4
91.05479	1.9
93.43032	1.4
95.08612	30.0
97.10165	7.0
98.21528	3.5
98.98474	100.0
99.11777	1.7
100.98883	2.8
106.08710	2.0
109.10162	15.6
111.11774	2.3
113.00019	1.5
116.99524	2.6
123.11729	7.1
137.13313	1.9
145.10139	1.8
158.93297	1.5
159.11630	2.3
162.84438	1.6
174.99239	5.3
176.98871	8.6
207.33311	1.5
239.23698	10.3
257.24823	3.8
313.27383	25.3
313.32904	1.8
331.21027	3.2
331.34027	28.0
331.97852	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.7
55.05502	1.5
55.42211	0.7
57.03450	0.8
65.03937	1.2
67.05508	1.7
69.07062	1.0
70.94285	1.6
79.05489	2.7
81.07066	2.4
83.04988	1.0
91.05489	16.2
93.07046	2.8
94.04214	0.9
95.04961	2.8
95.08555	1.2
97.06519	2.9
98.30801	0.8
98.98476	100.0
100.98899	2.4
103.05475	2.6
105.07034	4.3
107.04939	4.1
109.06527	3.1
111.04444	1.1
114.19513	0.9
115.05457	2.0
116.99525	2.0
117.07042	1.9
119.04942	9.0
119.08602	2.2
121.06516	4.2
122.03681	3.9
123.04426	1.2
123.08104	0.9
128.06227	2.9
129.07007	7.8
131.04932	2.3
131.08595	1.1
133.06482	1.8
135.08081	4.6
136.05228	2.0
137.05988	39.6
145.06499	1.8
147.04462	1.0
147.08026	1.2
149.05972	5.0
151.03885	2.4
151.07552	45.8
152.06190	2.0
155.06065	0.9
155.08598	1.1
157.06491	6.9
160.72279	0.8
161.05983	7.7
161.09660	1.9
163.07532	10.9
165.06987	6.2
165.09142	2.3
166.07829	1.2
167.08553	6.9
169.06416	1.0
173.05946	1.0
174.06786	4.0
174.99164	4.0
175.07590	2.5
176.98933	7.1
177.06900	1.0
177.09189	1.4
178.07826	2.9
179.08566	1.5
181.06485	2.4
181.10129	1.1
182.07315	2.7
183.08128	0.8
189.09146	15.0
191.08551	1.0
191.10730	0.9
191.32802	1.0
193.06543	4.0
193.10181	3.2
195.08075	15.2
196.08766	1.4
197.05966	3.1
197.09558	1.0
199.11136	0.9
204.06604	2.3
205.06903	4.3
206.07405	0.9
207.10165	1.6
209.05975	1.5
209.09631	2.2
210.06723	5.0
211.07460	2.6
212.08316	3.5
221.06070	4.2
221.09572	5.4
223.07562	5.0
224.08333	2.0
225.09140	5.7
227.07079	1.5
227.10667	14.9
235.07617	1.2
237.09023	1.4
238.06238	3.1
239.07111	1.3
239.10655	1.1
240.07944	1.8
241.12144	1.3
249.09073	3.2
252.07726	1.3
252.99899	1.3
253.08591	5.9
253.12260	6.5
255.06476	0.8
255.07419	1.2
255.10188	14.7
267.10141	2.9
269.07922	1.2
269.11813	1.0
272.10410	1.7
281.11646	2.9
285.11273	9.7
287.12814	20.7
313.14505	5.9
313.17728	1.1
331.15573	1.1
331.20883	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1538
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
57.29786	2.4
60.05207	2.6
60.55672	2.6
62.50197	2.2
64.26567	2.6
66.62885	2.6
69.07043	3.0
70.09716	5.5
70.10123	6.6
70.26301	2.8
78.71475	2.6
79.05483	3.8
86.06033	3.4
91.05493	30.1
95.04948	6.5
98.98473	52.1
103.05474	5.9
105.07053	4.1
107.04944	5.7
109.06480	3.0
119.04965	17.9
119.05660	3.0
121.06503	9.0
122.03645	9.3
128.06239	5.5
128.31830	2.3
129.07033	14.4
131.04877	6.7
133.06499	4.1
137.05981	98.0
147.04382	2.9
148.05150	3.3
149.05963	19.4
151.07552	100.0
157.06465	16.6
161.06003	21.5
161.09557	5.1
163.07541	24.5
165.06987	13.8
165.09117	5.0
166.07770	3.4
167.08565	19.2
169.12297	3.5
174.06747	5.8
175.07611	4.4
176.98906	5.3
178.07782	7.5
181.06464	4.2
182.07298	5.4
189.07387	5.1
189.09064	42.3
193.06519	6.6
193.10167	6.7
195.08052	26.1
196.08904	2.6
197.06058	7.2
203.08556	3.3
207.08223	3.6
207.10172	8.0
209.06055	3.4
210.06729	13.6
211.07541	3.7
212.08318	6.5
219.94508	3.7
221.05920	12.1
221.09584	11.5
223.07532	10.7
224.08252	3.9
225.05400	4.5
225.09103	11.1
227.06934	3.9
227.10638	39.8
238.06216	4.6
239.06975	3.1
240.07835	4.4
249.09119	7.4
252.07721	3.8
253.08661	20.1
253.12234	15.0
255.07358	3.5
255.10164	34.1
267.10196	7.3
269.08133	4.8
272.10449	3.7
281.11688	6.3
284.52878	2.7
285.11118	24.4
287.12775	44.1
313.14468	14.4
313.17618	3.7
318.22861	2.7
331.15503	7.6
331.19788	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1541
Annotation	Macquarimicin A
Peak:m/z	Relative Intensity
55.01869	1.4
55.05527	1.7
64.51443	1.2
65.77290	1.3
67.05510	4.6
67.94339	1.5
69.07079	4.0
70.06615	1.6
70.64417	4.0
79.05486	4.7
79.81870	1.3
81.07055	3.3
83.04990	5.2
86.06063	3.4
86.09683	1.4
91.05486	25.9
93.07016	1.8
94.04203	2.9
95.04969	9.7
98.98473	100.0
100.98882	2.6
103.05471	4.9
105.07049	6.3
107.04961	6.2
109.06535	4.0
115.05474	1.5
116.99518	1.4
117.07041	2.6
119.04942	20.5
121.06528	4.6
122.03648	5.4
123.04505	1.5
127.07586	3.0
128.06239	6.5
129.06993	13.3
131.04924	5.1
131.08603	2.8
133.06505	2.8
135.08023	4.9
136.05162	3.2
137.05989	57.8
139.03891	1.3
141.06950	2.2
141.27109	1.3
145.06517	2.7
146.07300	2.0
147.04419	14.1
148.05186	2.2
149.05945	7.5
151.03889	3.2
151.07556	70.3
152.06242	3.9
153.06973	2.3
155.08606	2.3
157.06500	10.1
161.06024	11.6
161.09659	2.4
163.03902	2.2
163.07547	16.0
165.07010	9.6
165.09050	2.6
167.08614	11.3
169.06441	1.9
173.08173	2.3
174.06819	4.6
174.99237	3.0
175.07637	2.8
176.98929	8.8
177.06917	1.6
177.09155	2.2
178.07840	5.4
179.08670	2.2
181.06512	5.4
182.07271	3.6
189.09123	25.9
193.06506	4.2
193.10170	7.5
194.07280	2.5
195.08055	21.6
197.06036	4.6
198.11380	2.5
199.07607	1.6
199.11545	4.4
202.07756	2.0
203.08713	1.9
205.10168	1.4
207.08185	2.1
207.10152	3.4
209.06001	2.5
209.09482	1.8
210.06786	7.2
211.07585	3.0
212.08328	4.1
216.12550	3.0
217.12619	5.1
221.06053	6.6
221.09561	7.3
223.07559	7.4
224.08350	2.8
225.05574	1.7
225.09126	8.1
227.10651	23.7
227.12694	2.1
237.09358	3.3
238.06236	4.9
239.07140	1.9
240.07881	3.1
249.09109	4.9
252.07855	3.2
252.90739	1.5
252.99805	1.4
253.08635	10.4
253.12267	12.5
255.07344	2.3
255.10158	22.0
267.10266	2.5
269.08151	3.7
269.11716	2.2
269.18994	2.0
272.10449	2.9
281.11755	5.6
285.11267	14.9
285.18622	2.8
287.12790	32.1
313.14410	9.5
313.18082	3.7
331.15775	2.0
331.19266	3.9
339.82874	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1541
Annotation	Macquarimicin A
Peak:m/z	Relative Intensity
53.03927	1.4
53.50558	1.0
55.01862	1.0
55.05504	4.0
56.07739	0.8
67.05486	1.4
71.49014	1.4
71.49384	1.0
71.84063	1.0
79.01378	0.9
79.05489	3.7
81.07063	1.7
82.06582	1.6
83.04996	1.0
83.08615	1.8
91.05483	17.6
93.07060	1.5
94.04170	3.5
95.04974	4.3
95.08567	0.9
98.98473	100.0
100.10715	0.8
100.11280	7.5
100.98886	2.6
103.05453	2.8
105.07024	3.6
107.04949	4.2
107.08595	1.1
108.05756	1.2
109.06510	3.0
111.04449	2.2
115.05433	1.9
117.07014	2.3
119.04939	10.5
121.06528	5.2
122.03671	5.5
123.04391	1.3
128.06230	4.0
129.07014	10.1
131.04950	2.8
131.08560	1.7
135.08081	2.3
136.05209	2.4
137.05984	50.5
143.04861	1.3
145.06505	2.1
146.03647	1.7
147.04399	1.1
147.08084	1.1
148.05219	1.3
149.06004	7.4
151.03990	2.4
151.07547	54.5
151.50841	1.1
152.06255	2.3
153.07103	1.2
157.06508	7.8
161.05989	10.6
161.09637	1.9
163.07562	12.0
165.07018	6.2
165.09126	2.5
166.07744	2.6
167.08559	5.6
169.06421	1.4
174.06764	3.7
174.99236	3.4
175.07626	3.6
176.98941	5.5
177.09109	2.0
178.04947	1.3
178.07750	3.3
180.68040	1.0
181.06499	3.3
182.07237	2.1
182.15465	1.1
189.09122	18.1
190.04967	2.2
193.06493	4.3
193.10143	4.1
194.07251	2.4
195.08076	12.5
196.08841	1.5
197.06000	3.2
197.09621	1.0
203.08601	1.5
207.08153	1.3
207.10149	3.2
209.06088	1.7
209.09569	1.2
209.16510	1.7
210.06807	5.2
210.14792	2.2
211.07484	3.0
212.08263	2.3
221.05983	5.5
221.09634	8.1
223.07559	7.3
224.08385	3.1
225.05479	1.4
225.09073	5.8
226.19153	2.4
227.07074	2.4
227.10645	18.7
235.07759	1.3
237.09073	2.4
238.06233	3.5
240.07759	2.0
241.08478	1.2
241.12230	1.3
249.09146	4.2
252.07617	1.1
252.99805	1.1
253.08623	10.2
253.12253	9.7
255.07359	1.4
255.10155	13.6
267.10193	2.8
269.08151	2.6
272.10553	1.4
273.26163	1.2
281.11673	3.2
284.10367	1.3
285.11197	13.6
287.12787	25.8
313.14459	9.1
331.12012	1.7
331.15433	2.7
331.21457	5.9
332.22134	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	331.1541
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
52.77214	1.1
53.03937	1.5
54.88268	1.2
57.15751	1.2
58.31340	1.3
58.82637	1.3
60.92133	1.6
67.37783	1.2
70.46425	2.3
77.52134	1.5
79.05485	4.5
81.07080	3.0
91.05486	35.2
93.07063	1.5
94.04187	4.1
95.04967	6.4
98.98479	20.6
103.05463	6.0
105.07058	6.7
107.04972	7.7
109.02852	1.5
109.06518	7.3
111.04392	1.5
115.05458	4.7
116.63979	1.5
117.07031	2.1
119.04948	23.1
121.02863	1.3
121.06489	9.2
122.03639	9.7
123.04417	1.8
123.08124	1.4
128.06230	6.6
129.07019	19.4
131.04948	7.1
131.08600	2.0
133.06512	2.3
135.08051	7.3
136.05185	3.8
137.05981	97.2
141.06918	1.4
143.04968	2.6
145.06453	3.5
146.03632	2.9
146.07274	1.5
147.08060	1.7
148.05151	1.6
149.06012	17.4
151.03969	3.2
151.07553	100.0
152.06227	3.5
153.07024	2.7
155.08568	1.9
155.95406	1.5
157.06503	15.7
161.05995	20.8
161.09627	5.9
163.06348	1.9
163.07552	25.1
165.07001	13.3
165.09135	5.1
166.07756	3.3
167.08580	18.1
174.06763	6.8
175.07552	6.4
176.98897	1.4
177.07007	3.6
177.09178	3.2
178.07764	7.0
179.08562	2.9
181.06517	6.3
181.08672	1.5
181.10164	2.5
182.07272	5.2
189.07333	2.5
189.09111	38.9
192.09381	3.1
193.06487	9.1
193.08604	1.4
193.10187	11.3
194.07266	3.4
195.08081	25.2
196.05077	1.4
196.08777	2.1
197.06039	7.5
197.09558	1.9
202.07700	3.0
203.08609	3.6
206.07236	2.6
207.08153	2.7
207.09985	7.0
209.05942	3.2
209.09599	4.2
210.06743	12.4
211.07518	3.6
212.08406	5.6
219.07954	2.2
220.08971	1.7
221.06013	12.2
221.09552	14.8
222.06784	2.4
223.07533	15.3
224.08353	6.3
225.05571	2.6
225.09105	15.0
227.07120	3.0
227.10667	29.4
229.09804	1.6
231.08192	1.7
237.05357	1.7
237.09138	4.0
238.06219	5.2
239.07024	3.2
240.07788	4.2
241.08661	2.1
241.12131	1.7
243.07014	1.6
249.09210	8.7
252.07787	2.5
253.08612	19.9
253.12263	21.9
255.06467	2.2
255.07346	2.5
255.10188	31.1
266.09378	1.6
267.10123	6.9
269.08151	3.2
271.16321	1.7
272.10483	4.0
281.11874	8.4
284.10480	2.3
285.11240	22.0
287.12784	52.5
287.17914	2.4
298.11929	1.6
299.12766	1.7
313.14499	15.3
331.12662	6.0
331.15512	8.0
331.20917	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	331.1538
Annotation	Macquarimicin A
Peak:m/z	Relative Intensity
52.68660	1.8
53.43388	1.8
65.54284	1.5
67.05486	1.9
69.97902	7.7
70.73730	1.8
79.05482	5.3
81.03425	2.2
81.07031	2.2
83.04974	2.1
88.52074	1.7
91.05479	35.5
94.04179	2.9
95.04964	6.1
98.98468	49.4
103.05453	6.2
105.07013	4.3
107.04948	7.9
109.06496	4.7
111.34406	2.0
114.57342	1.8
115.05430	4.0
117.06995	2.4
119.04935	18.8
119.12257	1.8
121.06487	8.1
122.03632	5.7
123.04454	15.8
128.06247	5.0
129.07007	15.8
131.04889	6.0
135.04399	4.9
135.08075	3.2
136.05179	3.9
137.05969	78.1
139.03893	2.4
141.06978	2.8
143.04913	2.2
145.06461	4.1
147.04381	8.8
148.04990	2.2
149.04968	1.9
149.06000	12.5
151.03905	4.3
151.07541	88.1
152.06195	4.2
153.06970	3.2
155.08472	3.0
157.06476	11.1
159.04349	2.8
161.05977	27.7
161.09621	3.9
162.06668	2.2
163.07549	22.2
165.07018	33.9
165.09091	3.4
166.07780	2.5
167.08540	13.3
168.05743	1.9
169.06424	2.5
172.10786	1.8
174.06738	5.9
175.07520	5.5
176.98940	2.8
177.06984	2.6
178.07755	6.9
179.07063	3.9
179.08449	3.8
181.06447	4.5
182.07260	5.6
183.08032	10.2
187.03891	1.9
187.07498	2.1
188.04703	3.3
189.09094	29.7
191.07008	5.7
191.08600	3.0
193.06471	25.3
193.10124	7.5
194.07266	5.7
195.08060	24.3
197.05937	7.0
202.07729	2.2
203.07007	10.0
205.06467	2.4
206.07278	3.3
207.08113	4.4
207.10184	5.4
209.09761	3.1
210.06754	16.4
211.07564	31.8
212.08289	5.2
221.06018	33.2
221.09555	12.6
223.07605	11.1
224.08272	6.0
225.05551	2.7
225.09077	20.8
227.07071	4.0
227.10660	23.9
234.06680	2.6
235.07568	4.1
238.06203	10.9
238.09886	2.9
239.07025	56.0
240.07738	4.5
241.08644	2.1
249.09113	7.4
252.07776	3.9
253.08586	40.2
253.12231	14.6
254.09129	3.2
255.06487	2.5
255.07312	2.7
255.10176	30.1
256.07278	5.1
266.09250	2.7
267.10162	8.4
269.08066	5.1
269.11600	2.0
271.09637	100.0
272.10159	4.7
277.08417	2.6
281.08362	2.1
281.11694	7.6
285.11185	18.3
287.12720	38.7
295.09625	20.2
299.09274	2.1
313.10773	59.5
313.14325	9.0
331.11835	3.8
331.15329	4.5
331.20932	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	331.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.3
57.06467	1.6
65.14919	1.7
67.05499	1.8
69.07040	1.9
70.35658	5.8
72.44838	1.6
79.05489	4.4
81.03410	1.5
81.07032	3.8
91.05482	34.7
93.06976	1.6
94.04135	3.7
95.04969	7.1
98.98471	41.6
103.05452	5.3
105.07002	5.5
107.04972	10.4
109.06525	6.0
115.05432	2.8
117.07039	1.9
119.04955	22.4
121.06501	6.1
122.03658	11.6
123.08093	1.6
128.06224	6.6
129.07018	22.4
131.04901	6.1
131.08574	1.9
133.06476	4.1
135.08035	7.6
136.05180	4.5
137.05986	91.9
143.04869	1.9
145.06497	3.4
149.05988	19.7
151.03882	2.2
151.07547	100.0
152.06190	4.0
153.06985	1.8
157.06523	13.9
161.05988	21.0
161.09586	5.9
162.06789	2.2
163.06306	2.3
163.07552	24.6
165.07007	16.9
165.09116	4.3
166.07710	3.0
167.08574	18.5
169.06503	2.1
174.06755	8.5
175.07535	4.9
176.98956	3.2
177.05608	1.9
177.07037	3.0
177.09044	6.2
178.07744	10.1
179.08487	3.2
181.06499	6.1
182.07269	5.1
183.08011	4.1
184.08862	2.4
187.07472	2.3
189.09111	41.7
191.08606	2.2
192.09410	2.8
193.06503	8.6
193.08498	1.9
193.10100	10.3
194.07272	2.3
195.08069	25.7
196.08807	2.7
197.05965	7.5
197.09613	2.4
199.07587	3.2
202.07767	1.9
203.08577	2.4
206.07323	2.6
207.08173	3.1
207.10127	7.3
209.05980	3.8
209.09544	4.4
210.06737	10.5
211.07510	6.1
212.08344	4.8
221.06088	10.2
221.09547	13.4
223.07542	16.2
224.08153	3.9
225.05565	2.9
225.09087	16.2
226.09859	1.6
227.07172	3.6
227.10664	31.7
234.06775	4.5
235.07565	1.9
237.09021	2.3
238.06271	8.7
238.09926	2.2
239.07126	3.5
239.10632	2.6
240.07726	3.4
241.08614	2.7
243.06421	2.4
249.09113	6.3
252.07860	2.7
253.08577	16.8
253.12286	15.4
255.07368	3.0
255.10150	30.3
259.13348	1.7
266.09433	2.5
267.10092	4.4
268.80862	1.8
269.08127	6.2
269.11884	1.6
270.08832	1.9
271.06064	4.3
272.10492	4.4
281.11789	10.3
284.10379	2.9
285.11255	21.9
287.12784	49.7
298.11896	2.6
313.10986	2.6
313.14334	14.1
331.15408	8.3
331.20901	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	331.1177
Annotation	Angulifolin C
Peak:m/z	Relative Intensity
52.85402	0.8
53.03933	1.1
55.01871	1.4
59.50927	0.8
65.03972	1.2
71.22768	1.9
79.01418	0.9
79.05504	2.3
81.07054	1.1
91.05487	4.3
95.04962	1.0
96.72724	0.9
98.98473	53.3
105.07030	1.8
107.04944	3.9
107.25430	0.9
111.04385	2.1
115.05469	2.0
118.04124	1.4
119.04945	2.0
121.06504	1.2
123.04429	16.7
131.04945	1.4
135.04446	3.8
137.02353	1.3
137.05986	6.5
139.03909	3.1
141.06993	1.4
143.04980	1.5
146.03767	1.0
147.04390	8.3
149.06035	1.3
151.07582	2.4
153.07011	1.9
154.07805	1.2
155.08571	1.4
159.04312	0.9
161.06001	17.4
163.07573	2.3
165.07007	22.2
167.08539	1.4
169.06493	1.8
174.99142	1.1
175.07564	2.4
176.99022	2.2
178.07813	1.2
179.07072	2.6
179.08580	2.8
181.06473	1.6
182.07289	3.5
183.08122	5.5
188.04659	4.3
189.05493	1.6
191.07024	7.7
193.06496	14.6
195.01141	2.7
195.08160	1.3
197.06015	2.1
197.09685	1.9
203.07086	7.1
207.08018	2.7
209.05991	1.0
210.06755	8.3
211.07555	27.3
213.05486	1.5
221.06003	20.4
221.07971	1.7
223.07761	1.3
225.09129	11.5
228.07925	1.1
234.06645	1.3
235.07549	3.4
238.06273	3.6
239.07048	54.8
240.07851	2.6
241.05099	2.1
249.09106	1.7
253.08603	27.0
256.07364	3.5
258.44394	1.1
263.07056	2.3
267.10318	3.3
271.09662	100.0
272.09930	1.9
277.08740	2.2
280.07312	1.6
281.08051	2.6
285.11292	3.4
295.09641	14.5
313.10727	50.3
314.10980	1.2
331.04297	1.3
331.12357	1.8
331.20889	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	330.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74405	0.8
55.05502	3.1
57.03438	4.6
57.07088	4.1
59.66401	0.7
64.62427	0.7
67.05521	6.5
69.07059	1.5
69.14603	5.7
69.15029	3.3
70.06602	5.0
71.08620	2.0
74.94819	0.8
75.44666	0.8
79.05488	3.3
81.07067	5.1
83.08616	1.2
87.04478	10.7
88.07626	6.8
88.30158	0.8
91.05496	2.6
93.07053	2.5
95.04932	1.4
95.08594	2.5
97.06516	1.3
97.10168	1.7
98.98473	100.0
100.98895	1.4
101.06023	26.1
102.09190	2.8
105.07041	2.0
107.08619	2.6
109.10130	2.2
116.99582	1.5
117.07038	2.8
119.08588	3.3
121.10135	1.0
131.08562	0.8
133.10127	1.6
139.11198	1.0
143.08591	1.6
145.10147	5.6
147.08147	0.8
147.11691	1.8
155.08516	0.9
161.13232	1.4
171.11707	0.9
173.05981	1.6
173.09663	1.5
173.11803	2.0
174.99255	4.8
175.99626	1.3
176.98920	4.7
197.13318	1.3
216.10219	22.8
217.36523	0.8
244.13379	10.6
245.13794	0.9
246.61343	0.8
256.26364	11.9
270.14865	6.4
270.28058	2.2
277.21646	1.6
278.32404	0.8
298.18051	10.5
302.17471	2.0
330.20657	49.5
330.30042	37.4
330.33469	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2065
Annotation	2,7-Dihydrohomoerysotrine
Peak:m/z	Relative Intensity
55.05503	0.7
57.03444	1.1
57.07079	4.0
58.06594	1.7
67.05496	0.8
70.06586	1.6
71.06925	1.4
71.08609	1.5
72.08167	5.4
75.32427	0.6
81.07021	0.7
83.04994	0.9
87.04462	2.2
88.07622	1.7
91.05473	2.0
93.07034	1.1
96.08138	1.1
96.26238	0.6
98.98473	57.0
100.98915	1.1
101.06022	7.8
104.36040	0.8
105.07065	2.1
107.08627	0.9
116.99471	1.0
117.07037	6.6
117.21964	0.6
119.08592	5.2
129.07043	1.0
130.07780	0.7
131.08583	1.1
143.08563	2.0
145.06490	1.8
145.10159	7.0
147.08046	0.9
155.08565	2.5
156.17497	5.2
157.10101	0.8
159.08160	0.7
160.11227	1.2
169.10028	0.7
170.18965	1.4
173.06039	3.0
173.09605	2.1
174.99242	2.7
175.01576	4.4
175.99600	1.0
176.98965	2.2
177.99236	0.9
181.10127	0.9
188.10719	1.9
192.09377	1.2
197.13252	2.7
200.10732	0.8
207.11667	1.5
216.10214	61.2
217.10524	0.9
225.12811	2.1
228.10234	0.8
244.13345	14.3
252.13817	2.6
253.12311	1.9
256.26422	2.6
268.30017	9.6
270.14908	25.8
275.06693	0.9
298.18036	14.9
302.17496	7.6
330.20651	100.0
330.29965	8.0
330.33603	36.6
331.12939	1.8
331.21161	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1911
Annotation	Gabapentin enacarbil
Peak:m/z	Relative Intensity
55.01869	5.8
55.05502	3.7
56.05031	1.2
62.06096	6.4
69.07076	30.9
69.66432	4.8
70.02956	1.7
70.06593	1.4
72.08160	16.1
73.02917	3.6
73.06545	2.2
79.05495	2.8
81.03400	1.1
81.07075	5.9
82.06616	1.6
83.04993	1.7
84.04490	1.4
86.06075	37.8
86.09694	1.8
88.03981	1.3
91.05492	4.8
93.07049	1.9
95.04989	1.7
95.08611	1.5
96.08123	3.8
97.06525	4.2
98.05997	1.3
98.09709	3.1
98.98476	59.0
99.04466	3.8
100.07590	1.2
101.02377	8.2
108.08103	2.3
109.06532	13.4
110.06065	1.7
110.09649	1.3
111.08083	7.5
114.09163	1.4
115.07600	2.2
116.10737	19.7
119.04923	1.3
122.09630	1.0
124.07571	1.3
124.11217	2.3
126.05522	2.7
127.07496	1.2
130.04893	0.9
132.01137	1.5
134.09644	3.6
136.07600	1.1
137.06015	8.7
138.09140	1.4
141.04222	0.9
141.09125	2.9
142.08638	3.1
147.04414	1.1
147.06421	0.8
150.51949	1.0
151.07582	2.4
152.10698	4.0
154.08618	1.6
155.06999	0.9
158.11769	2.4
159.10249	1.3
164.92030	1.0
169.04880	1.0
169.12280	2.2
170.11755	11.1
171.14963	3.4
174.99286	1.5
175.99760	1.1
176.98921	2.0
180.10222	3.9
182.08080	1.6
185.16536	1.0
198.11269	90.9
199.11679	1.2
199.14433	2.1
212.16457	2.8
216.12332	100.0
217.12724	1.2
286.11148	2.0
312.18152	17.3
330.09573	1.2
330.13263	2.6
330.19247	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	330.1371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.8
55.01863	2.9
55.05505	4.7
57.03432	1.8
58.99581	6.4
65.61544	1.4
67.05492	3.7
69.07076	13.9
69.24049	12.4
69.66156	1.2
70.06577	3.8
71.04987	6.0
74.66519	1.1
76.02232	12.7
79.05495	19.7
81.03416	1.4
81.07079	6.9
83.04970	1.8
84.08169	7.0
86.09689	1.7
86.99041	3.0
88.03981	2.1
88.28471	1.5
91.05477	8.8
93.07033	13.1
95.04971	5.3
97.06541	4.3
98.06078	1.5
98.09686	2.2
98.21471	2.3
98.98471	66.0
99.04382	1.3
103.05463	1.6
105.00105	6.4
105.07037	8.9
107.04967	9.9
107.08599	12.4
109.06482	2.7
111.04443	2.2
113.05996	1.4
115.05440	1.6
117.07018	3.9
119.04936	1.9
119.08582	5.8
121.06538	12.3
121.10149	12.8
122.02728	54.8
123.04439	4.0
125.06024	1.9
126.01089	2.0
126.09151	4.3
128.06287	2.6
129.07007	5.0
131.04953	2.3
131.08571	32.4
133.06447	1.5
135.04430	1.8
135.07990	1.8
135.11687	3.0
137.05981	7.4
141.05469	5.7
143.04921	3.4
145.06516	2.3
145.10130	13.2
147.04358	2.2
147.07990	1.3
149.05997	7.7
149.09604	18.1
151.07539	5.8
153.05469	6.9
157.06483	4.0
161.05957	4.4
162.05533	2.2
163.06290	14.1
163.07520	2.4
163.11182	14.4
164.07054	4.0
165.09126	4.5
167.07082	2.3
173.06053	1.6
173.09625	1.6
174.99258	3.7
175.07492	6.1
176.98981	3.5
181.06586	1.7
182.26163	1.2
187.07658	2.0
189.09177	2.1
191.10664	19.0
195.08003	2.6
197.06105	1.8
199.07376	1.4
201.09189	2.0
209.11742	47.8
211.07465	1.3
214.08685	3.9
215.10677	2.0
217.12439	1.6
218.11717	1.7
225.09128	1.9
227.10538	2.8
232.13405	3.3
240.07791	1.3
244.05919	2.7
256.13388	1.5
257.14069	2.9
260.12857	1.8
270.05255	2.0
270.08554	1.5
273.34592	1.3
284.10037	1.8
284.12872	1.6
285.11261	1.3
286.18018	16.1
313.18045	2.8
315.08725	1.4
330.13586	6.8
330.20645	100.0
331.08200	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	330.1372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.01886	1.4
55.05502	2.6
57.03440	1.0
58.99579	1.2
67.05501	2.2
69.03420	2.6
69.07059	2.2
71.04996	3.9
71.05662	1.1
71.83421	0.7
74.00639	0.8
75.02674	0.8
76.02235	1.5
79.05497	8.6
81.07057	2.4
83.04974	2.5
85.12302	0.7
88.03982	1.9
91.05482	16.5
93.07044	10.2
95.04980	1.6
97.06528	1.2
98.98455	3.6
99.02680	1.6
99.04457	0.9
103.02177	1.1
103.05476	0.6
105.07037	15.0
107.04949	2.9
107.08597	6.2
109.06496	1.1
115.05446	1.0
116.06212	1.7
117.07034	11.2
119.04953	0.8
119.08578	6.0
121.06506	6.3
121.10143	5.8
122.02711	3.9
123.04495	1.1
125.05997	1.2
128.06236	1.4
129.07011	6.0
130.07796	5.7
131.08571	100.0
135.08072	1.5
135.11719	3.5
137.06058	0.7
139.07555	3.2
143.08571	4.5
145.10127	67.7
146.10732	0.7
147.08031	2.1
147.11711	1.7
149.05989	3.8
149.09625	16.2
151.05737	0.7
153.05505	1.0
163.05783	2.2
163.11194	12.6
165.09126	3.0
167.07063	2.6
173.09599	4.3
189.09193	1.1
191.10681	38.0
197.06392	0.8
209.11737	27.9
223.08015	1.7
223.92871	0.7
233.29770	0.7
239.07433	1.0
241.08925	24.2
254.92831	0.7
294.11462	0.8
312.12567	1.6
313.11078	7.8
329.04379	0.7
330.13702	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	330.1005
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05026	4.2
57.34899	2.1
65.03928	4.0
67.76344	2.0
70.65612	5.1
90.03785	24.1
90.04323	3.4
91.05475	7.7
93.03403	25.0
98.98458	30.3
110.03639	2.9
111.04418	8.3
117.07014	2.9
118.03228	5.7
119.04947	5.4
125.06006	36.0
131.08577	15.2
136.04279	25.4
145.10147	4.6
149.09572	2.5
153.05472	100.0
161.99522	2.5
164.62193	1.9
191.10640	3.9
195.06535	71.6
206.36255	2.1
236.93498	2.4
266.27032	2.2
343.95523	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	330.0601
Annotation	cAMP
Peak:m/z	Relative Intensity
50.46143	0.3
51.57159	0.3
56.96566	0.8
67.05511	0.4
69.03433	3.7
69.93113	1.6
70.06586	0.4
71.40931	0.3
72.44804	0.3
85.02908	0.9
86.09715	1.0
90.03798	0.6
94.04078	0.9
94.06566	1.7
95.05019	0.3
97.02937	1.4
98.21404	0.4
98.97574	1.3
98.98476	14.6
101.00914	0.4
106.06572	1.0
110.97563	0.4
116.98625	0.6
119.01916	0.4
119.03572	2.5
122.06068	1.4
125.06016	0.6
136.06190	100.0
137.04591	0.8
137.05927	0.7
143.00195	0.3
143.01895	0.4
147.03899	0.3
150.05511	17.7
153.05457	2.1
157.03336	0.3
161.02931	0.4
163.03915	0.4
168.06590	1.3
170.10219	0.3
172.08208	0.6
174.99144	0.4
175.97531	0.3
195.06615	1.4
195.08102	0.3
202.07381	0.4
216.98709	1.2
222.03093	0.3
222.11829	0.3
234.99731	1.2
270.08185	0.6
298.07993	0.4
304.56110	0.3
330.05994	16.6
348.08438	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69070	0.7
55.05502	2.7
56.96564	1.3
57.03442	1.2
59.04996	2.5
61.02921	4.8
62.77314	0.7
63.99394	0.7
65.26497	0.7
68.05026	6.9
69.07063	2.1
70.06586	3.3
70.31251	1.5
70.31609	2.3
70.56293	0.7
71.04999	8.5
72.08155	7.7
75.21767	0.6
79.05511	1.7
81.07063	13.0
87.08119	1.2
91.05426	1.0
95.06095	100.0
97.07656	7.8
98.06049	0.8
98.98470	70.5
100.02214	1.0
107.06005	0.8
111.05559	1.2
112.07629	1.9
113.09642	1.0
123.92937	0.7
130.08635	0.8
130.78848	0.8
137.02278	0.7
137.06035	1.5
146.02698	1.3
151.12314	19.0
156.03322	3.3
167.11823	2.8
168.03371	1.7
174.99265	6.2
176.98955	1.9
182.07353	0.8
186.04439	3.9
193.04955	0.9
193.13376	20.0
204.05450	0.9
207.14886	1.7
225.15977	75.6
252.20769	11.7
256.13345	4.2
266.22348	1.4
284.23328	51.8
286.44019	0.8
288.68854	0.7
296.19730	1.8
298.15793	0.7
328.15457	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	329.2686
Annotation	2-palmitoleoyl-glycerol
Peak:m/z	Relative Intensity
53.03937	2.7
54.90157	1.5
55.01879	2.4
55.05513	71.0
56.97060	1.7
57.03166	1.6
57.03438	29.3
57.07079	34.2
59.08981	1.9
67.05504	23.9
69.07070	81.7
69.38486	5.5
69.38912	7.9
71.04984	2.5
71.08630	22.5
71.62234	1.5
73.06530	2.7
77.01134	1.8
79.05498	9.7
81.06602	2.1
81.07058	39.2
83.04958	5.9
83.08624	58.6
85.10183	10.7
91.05441	2.1
93.07036	19.7
95.08612	33.8
97.06527	14.7
97.09572	2.2
97.10177	36.5
98.98466	22.9
101.06001	2.9
107.08587	15.5
109.10164	13.7
111.08100	8.7
111.11700	6.4
115.07557	3.7
121.10143	20.5
123.11708	7.0
125.09635	11.9
125.13246	2.5
129.09151	3.9
135.11676	16.2
137.13240	5.1
139.11163	10.2
143.10724	2.5
149.13240	16.1
153.12773	6.1
163.14757	8.3
167.14357	7.8
174.99269	3.2
177.16354	4.3
181.15872	3.9
192.01961	1.6
195.17494	2.6
199.16911	2.0
212.94965	2.0
219.21030	13.5
237.22104	17.9
294.66782	1.7
311.25766	13.5
329.26868	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1545
Annotation	(-)-Isocoreximine
Peak:m/z	Relative Intensity
62.06081	1.4
62.44248	0.5
63.06183	0.5
68.32063	0.6
70.06599	2.7
70.98709	1.2
71.04967	0.5
80.05016	0.6
85.02927	0.6
88.05991	0.5
91.05481	1.3
97.02900	0.9
98.98475	55.5
103.05463	0.6
105.07045	0.8
107.04957	1.3
116.99469	0.5
120.08112	4.0
123.04488	0.5
131.08568	1.0
132.08092	1.7
133.02805	0.6
135.04387	0.9
143.26147	0.5
144.08109	0.5
157.08865	0.7
159.08089	3.2
161.97279	0.6
163.03899	2.1
166.08640	1.3
166.12344	0.5
170.09659	8.5
171.10483	1.1
173.08301	0.9
174.99226	4.6
176.98897	0.9
178.08563	0.8
183.11919	0.5
184.11200	0.8
185.12004	14.1
186.09222	0.8
186.12801	3.2
187.07568	2.6
191.03432	2.3
198.09186	1.0
198.12860	1.0
199.06267	0.9
199.09970	2.2
200.14381	1.3
201.07884	5.3
202.03912	0.5
202.08691	0.6
210.09180	0.9
210.12784	1.0
214.08614	1.3
223.06035	1.8
226.08661	3.1
226.12279	0.8
227.09419	5.1
228.10226	1.2
228.13837	8.6
235.02345	1.2
238.12335	2.2
240.10277	1.5
241.02045	0.6
241.11011	1.7
254.11810	1.3
255.12544	2.0
256.13348	100.0
257.13654	1.0
264.12347	1.1
267.33469	0.5
284.11429	0.7
284.16577	3.1
292.11777	1.8
293.08249	0.6
298.46973	0.5
310.13162	2.5
311.09167	0.8
328.15451	93.5
329.15875	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13024	0.3
64.61870	0.3
65.03934	1.1
70.63610	0.4
70.63947	0.6
90.41618	0.3
91.05483	12.2
97.06531	0.5
98.98460	2.0
102.01193	0.3
119.04943	29.4
136.07526	0.5
137.05978	0.6
147.04411	100.0
148.04787	0.4
187.27264	0.3
219.90599	0.4
224.36957	0.3
248.03688	0.4
305.21991	0.3
328.12708	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
55.05510	0.4
63.02356	0.5
64.52679	0.3
67.05505	0.4
67.20332	0.4
67.60870	0.4
69.07066	0.9
70.07831	1.4
71.53984	0.4
79.05480	2.0
89.03419	0.7
89.03926	8.9
91.05471	1.5
95.08575	0.4
97.06548	3.0
98.98473	28.1
107.04961	3.1
116.99553	0.5
117.03384	13.9
119.04930	0.6
120.08116	4.7
122.09633	0.7
131.04967	0.4
135.04420	21.6
137.05977	2.9
145.02853	13.2
145.04001	0.6
145.10072	0.4
147.04413	1.2
163.03911	100.0
164.04289	0.6
166.08656	1.7
174.99207	2.2
176.98921	0.4
193.08612	0.7
193.87010	0.4
207.08131	0.4
233.11765	1.6
268.26276	0.4
310.11050	0.4
328.12213	0.6
328.15503	1.9
328.19113	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1177
Annotation	Penicidone A
Peak:m/z	Relative Intensity
64.31738	0.3
65.03928	1.5
69.82475	1.8
70.89404	0.3
85.96865	0.3
86.54147	0.4
91.05482	13.5
91.69407	0.3
98.98457	2.8
119.04940	29.1
134.27840	0.5
136.07556	0.4
147.04405	100.0
148.04706	0.6
340.55051	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.253
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85990	0.4
53.03949	1.1
55.01859	0.8
55.05518	12.7
57.03440	5.6
57.07071	2.1
61.49472	0.4
67.05509	15.0
69.03422	0.5
69.07072	13.8
71.05005	2.2
71.48466	0.5
73.06557	2.4
79.05502	7.9
81.03438	0.6
81.07061	18.4
82.31916	0.4
83.04988	0.6
83.08623	8.7
84.08147	1.5
85.06548	1.5
91.05493	4.2
93.07053	6.6
95.08614	15.0
97.06532	2.2
97.10184	4.0
98.98473	100.0
99.08102	0.7
105.07040	3.8
106.06583	0.5
107.08610	4.1
109.06523	1.0
109.10163	7.7
111.08104	1.6
111.11729	1.6
115.05463	0.7
116.99513	1.4
117.06986	0.5
119.08590	3.0
121.10153	4.8
123.08076	1.0
123.11711	2.1
125.09635	0.8
131.08588	0.8
133.06528	1.0
133.10144	2.4
135.11707	4.6
137.05977	5.4
137.09677	1.0
137.13280	0.7
139.11186	0.9
147.11665	2.4
149.13330	1.4
151.11273	0.5
151.14806	0.6
153.12714	0.8
161.05998	6.0
161.13310	1.5
165.12881	0.6
167.14244	0.6
174.99248	11.9
175.14893	1.0
178.07736	1.0
179.08604	1.2
183.84464	0.4
189.16284	0.7
203.07039	1.4
207.08087	5.2
208.08928	0.6
217.19545	1.6
221.05894	0.7
221.09619	0.5
224.08344	0.6
234.06760	1.0
235.07555	13.8
235.20633	2.3
239.10960	0.5
249.09233	1.3
251.00084	1.5
252.07808	0.8
253.21710	0.8
267.10172	5.9
277.08646	0.5
290.65103	0.5
295.09674	8.7
309.11197	1.4
309.24292	1.1
327.12167	5.5
327.25333	14.7
332.13379	0.6
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
50.78715	3.1
53.03936	9.9
55.01855	5.3
55.05511	18.5
56.47169	2.4
57.03419	4.1
57.07073	5.0
65.03941	3.7
67.05518	22.1
69.07059	11.5
69.94587	2.5
69.94878	13.0
71.04977	3.3
74.65347	2.6
77.03922	3.1
79.05485	25.4
81.03437	4.0
81.07048	24.0
83.08629	5.6
85.06542	3.8
91.05483	29.2
93.07049	66.6
95.04972	66.2
95.08608	43.8
97.06538	13.7
97.10194	2.8
98.21391	3.4
98.98468	100.0
103.05479	2.8
105.04504	5.0
105.07042	51.3
107.08601	34.9
109.06527	11.0
109.10147	16.3
115.05416	5.1
117.07034	16.6
119.08586	56.9
121.06494	14.0
121.10149	28.0
123.08077	8.9
123.11674	6.7
128.06252	5.0
129.07030	7.2
130.07803	5.2
131.08560	20.8
133.10133	38.1
135.08070	8.9
135.11697	9.7
137.09602	3.3
139.40930	2.6
142.07820	8.1
143.08559	18.0
144.09349	4.9
145.10127	31.3
147.11703	10.8
149.13258	4.4
152.06183	14.6
153.06973	12.4
155.08583	8.8
156.09334	6.3
157.10136	25.7
158.10861	3.8
159.07996	5.2
159.11705	33.0
161.09641	13.0
161.13248	4.2
168.09384	3.5
169.10118	12.2
170.10962	5.0
171.08063	3.0
171.11688	17.1
173.13304	14.0
174.99237	11.1
175.11201	3.4
175.14818	16.8
181.10144	5.1
182.10829	2.9
183.11667	7.9
185.13300	7.1
187.11217	3.7
187.14847	13.0
189.12743	2.7
189.16348	3.8
193.10207	3.9
195.11755	4.5
197.13246	7.1
199.14810	10.8
201.16483	2.7
201.87241	2.9
207.11815	5.7
209.13235	7.4
211.14871	9.5
213.16327	2.9
215.02502	4.2
218.77336	2.4
225.16432	3.9
229.15764	3.7
233.03644	8.9
235.14828	5.0
251.04752	5.3
260.52173	3.0
265.19461	4.6
309.22137	9.3
327.07858	47.6
327.23099	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	327.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
62.88850	0.5
70.06600	0.6
70.92985	1.4
73.06569	1.0
74.88705	0.5
79.05490	0.7
81.07053	0.5
84.04507	1.1
85.01134	1.3
87.04453	2.6
89.06034	73.5
91.05482	1.0
93.07073	0.6
95.04942	0.7
98.98471	100.0
101.00583	1.3
105.07064	0.9
107.07053	0.8
116.99497	1.4
129.00128	0.6
133.08609	35.4
135.08035	0.8
137.06026	0.8
143.08551	1.2
145.06508	1.1
161.06047	1.0
161.09616	0.5
163.07516	0.9
174.99239	13.2
177.11244	6.6
177.31839	0.5
182.04991	1.2
185.09390	0.5
193.06645	0.6
203.07222	1.1
207.10161	0.9
208.02945	1.8
214.19768	0.5
217.06807	0.5
221.06221	0.7
221.13818	0.7
225.09227	0.6
239.14995	0.5
245.06287	0.8
251.00107	1.7
253.08771	0.8
267.10193	0.8
281.08423	0.7
282.07516	1.1
283.17499	0.8
295.09650	0.7
309.11258	0.9
310.07120	2.2
327.08743	0.9
327.12271	4.8
327.20139	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1024
Annotation	Lindechunine B
Peak:m/z	Relative Intensity
53.03966	0.6
56.53205	0.4
59.19524	0.4
65.85890	0.4
66.32665	0.4
68.99801	0.6
69.33143	1.0
69.33544	2.8
70.06603	0.5
74.39791	0.4
79.05492	6.1
79.98185	0.4
81.03433	0.7
81.11361	0.4
81.58677	0.4
84.04504	1.1
85.02910	1.1
91.05504	2.3
93.07026	0.8
94.04196	0.7
95.05001	0.5
98.98473	11.3
100.11242	0.6
103.05471	19.5
105.07030	0.9
107.04967	5.9
108.04501	1.1
108.08096	0.9
109.02893	0.5
112.04659	0.4
115.05458	1.9
118.06469	0.5
122.09653	0.8
123.04430	0.8
124.63919	0.4
130.06526	1.8
131.04959	4.9
133.02869	1.1
137.02440	0.4
137.05969	0.6
140.10699	0.7
142.06566	0.8
142.12294	0.7
143.07324	1.5
147.04430	1.2
150.03134	0.8
150.12778	1.2
154.06520	1.6
158.02390	1.4
162.03143	2.5
163.03899	3.2
165.07030	1.3
167.07297	1.2
168.08101	1.2
168.10172	0.5
174.99246	1.9
178.05002	7.9
178.07727	0.5
179.08583	3.4
180.08104	2.5
181.08838	0.6
182.09633	2.5
189.04205	0.8
189.07024	1.2
190.05058	1.9
205.08836	0.4
206.09666	0.8
207.08098	4.1
208.07629	0.9
210.09183	1.9
224.10794	0.5
234.09157	3.4
235.07573	1.5
238.08504	0.5
252.07852	1.2
252.10179	0.8
253.08633	7.8
262.08649	2.2
263.06952	1.1
265.07452	0.9
269.18591	0.9
276.55347	0.5
280.09695	100.0
281.10025	1.4
282.17081	6.4
326.10239	91.7
326.19638	4.1
327.10693	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.5
55.01870	2.7
55.05319	1.4
55.05516	15.0
57.03437	11.3
57.07079	8.3
59.99117	3.6
65.03931	4.0
67.05505	90.8
69.03417	1.9
69.07062	13.8
70.02865	6.9
71.04981	5.7
77.03954	1.9
79.05022	1.9
79.05494	65.2
81.07060	100.0
83.04965	2.2
83.08628	8.0
85.06546	6.5
91.05483	28.5
93.07045	75.7
95.04976	6.0
95.08607	67.2
97.06530	4.9
97.10144	4.7
98.21391	2.0
99.08100	8.4
102.03767	5.1
105.07029	24.6
107.08604	41.7
109.06521	3.1
109.10163	40.1
111.08106	3.6
113.09643	4.0
117.07043	13.4
117.97981	1.7
119.06010	1.9
119.08581	20.4
121.10149	56.4
123.08075	2.3
123.11708	29.1
125.09625	4.6
128.06323	1.5
129.05458	1.7
129.18433	1.5
131.08568	24.8
133.10138	25.2
135.04593	1.7
135.08028	1.6
135.11694	59.7
137.09615	2.5
137.13255	5.6
139.11234	2.7
143.08551	2.7
144.42276	1.7
145.10132	21.9
147.11676	12.6
149.09602	4.7
149.13254	28.3
151.11211	3.7
153.12744	1.8
157.10051	2.5
159.11711	22.1
161.13284	3.9
163.11186	4.0
163.14734	1.8
173.13260	12.2
174.05482	1.6
175.14766	2.5
177.12817	2.4
187.14851	3.1
189.16412	2.6
191.17964	2.1
205.16042	2.1
205.19502	13.5
209.13190	1.9
215.17953	47.9
223.14893	2.8
233.18997	71.7
234.19229	1.9
251.20079	8.0
294.96436	2.2
307.22610	6.8
325.24274	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.9
55.05511	16.0
56.72969	2.1
57.03436	7.0
57.07082	12.8
57.07319	2.1
65.03948	3.0
67.05508	100.0
69.07083	11.7
70.56487	2.6
70.56852	7.8
71.04986	6.8
79.05497	73.5
81.07057	94.7
83.08640	11.0
85.06555	5.6
90.67500	2.2
91.05487	34.2
93.07049	95.4
95.04974	5.5
95.08617	66.9
97.06552	4.3
97.10163	3.5
99.08118	11.0
105.07048	22.1
107.08598	50.8
109.06539	3.9
109.10161	35.0
113.09672	5.4
117.07038	15.5
119.08603	22.3
121.10147	65.0
123.11709	30.3
125.09636	5.4
128.31801	2.1
131.08569	33.1
133.10152	23.5
135.11703	76.5
137.09631	3.1
137.13266	7.4
139.11212	3.2
145.10123	21.8
147.11723	17.4
149.13268	28.2
151.11206	3.1
159.11736	25.4
161.13255	3.8
163.14819	3.2
173.13280	19.8
175.14719	2.8
177.12781	4.2
187.14828	4.0
189.16333	3.2
193.04979	4.4
205.15855	2.8
205.19574	17.2
215.17955	72.0
226.07394	2.3
233.16653	4.8
233.19028	89.6
251.20036	3.7
307.22717	5.2
325.23584	22.6
325.76495	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	325.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.8
55.01865	1.9
55.05512	15.8
57.03431	6.9
57.07077	6.6
65.03938	3.3
67.05505	93.6
69.07070	12.1
69.31570	8.9
71.05000	4.9
71.08639	1.5
75.04487	1.3
77.03921	2.0
79.05013	1.3
79.05493	56.4
81.07056	100.0
83.04977	2.0
83.08614	8.7
83.48055	1.1
85.06534	4.6
91.05478	25.8
93.07046	67.8
95.04972	3.4
95.08609	59.1
97.06526	4.3
97.10151	2.2
99.08085	7.5
100.44103	0.9
103.03931	2.0
103.05466	1.2
105.04517	1.6
105.07030	21.3
107.07880	2.1
107.08592	40.2
109.06524	3.1
109.10161	34.4
111.08086	2.1
113.09641	3.6
115.05541	1.1
117.07037	12.8
119.08595	16.5
121.10143	50.8
123.08079	2.9
123.10829	1.9
123.11704	24.7
125.09640	3.1
130.07794	1.8
131.08568	21.1
133.10141	20.6
135.08081	2.2
135.11691	53.6
137.09645	3.3
137.13255	4.7
139.11177	2.8
145.09061	1.9
145.10124	22.3
146.62465	1.2
147.11694	12.3
149.09642	2.8
149.13264	25.6
151.11201	3.5
151.94330	1.0
159.11702	17.0
161.13258	5.0
163.11218	3.7
163.14862	1.8
167.26749	1.1
173.13254	13.5
175.14874	2.2
177.12750	3.3
187.14827	5.3
189.16371	2.9
191.14270	1.5
191.18034	1.7
205.15884	3.2
205.19499	12.7
215.17957	48.4
216.18269	1.7
225.03212	1.0
233.19009	68.6
234.19467	1.3
251.20056	8.1
289.21683	1.3
307.22726	9.1
325.23767	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	325.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90946	2.0
54.47390	2.0
54.82789	2.0
57.03428	16.9
57.07082	11.8
63.48228	2.5
69.03425	6.9
71.04987	2.6
71.48431	2.8
79.05487	2.7
81.03419	2.7
84.40401	2.2
85.02926	20.1
85.06557	17.8
89.02363	2.4
89.03903	2.7
91.05482	4.6
95.04943	3.1
96.56213	2.3
97.02891	3.3
101.06023	4.3
103.05473	2.9
103.07588	100.0
107.04977	3.7
113.06008	4.8
127.03888	4.2
127.07552	10.7
131.03404	9.0
131.07025	2.6
132.08098	6.4
135.04398	5.8
137.05954	14.6
145.02834	4.7
145.08592	6.8
149.05928	3.4
150.06636	2.8
151.07516	5.2
162.37976	2.2
163.03928	28.9
163.07596	4.6
163.09669	14.6
171.87527	2.2
184.78894	2.3
186.03220	2.6
201.05450	10.4
205.06490	5.1
221.05989	3.4
222.06798	3.3
233.05952	4.9
237.09224	3.1
249.05325	2.4
250.06175	4.5
261.87137	2.2
264.07828	2.9
265.08676	8.0
292.07288	6.7
293.07925	4.3
307.09683	11.7
325.10818	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	325.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49934	2.7
53.92143	2.6
57.03426	11.2
57.07075	14.3
65.67507	2.7
67.05493	3.5
69.03414	6.5
70.78644	5.5
70.78986	2.8
71.04993	3.7
84.08127	2.9
85.02909	19.4
85.06551	17.7
89.02394	8.0
90.40407	2.4
91.05490	3.3
95.04964	4.9
97.02909	4.7
101.06030	4.2
103.05580	3.5
103.07590	100.0
109.02853	4.8
113.05998	4.9
117.03374	2.9
127.03880	4.5
127.07557	7.5
131.03404	10.8
131.07077	3.1
132.08098	7.8
133.02861	5.4
135.04413	4.6
137.06009	13.9
145.02849	4.5
145.08572	7.7
149.06001	2.6
151.07587	3.1
163.03912	29.0
163.09677	17.2
173.06091	3.2
179.47331	2.4
201.05463	6.5
205.06407	4.8
233.05988	4.0
250.06120	3.1
265.08612	4.2
279.82315	2.3
280.11923	3.8
292.07281	4.8
292.23157	2.5
293.07990	8.4
307.09552	7.3
325.10706	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	325.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76293	0.4
53.03934	1.7
55.01865	1.9
57.03437	2.5
59.04975	0.5
61.02928	0.7
69.03433	14.5
69.21715	1.7
69.22148	2.3
71.01352	0.7
71.05000	5.2
73.02904	1.0
74.52943	0.4
81.03423	17.0
81.07024	0.5
90.53781	0.4
91.05476	1.7
99.04453	6.8
103.05457	1.2
105.61249	0.4
107.04982	0.5
112.85035	0.5
117.05499	2.1
118.06527	4.7
119.04929	0.8
122.03644	0.6
131.05000	2.1
133.02884	0.5
137.05980	6.8
141.07040	0.6
145.06540	0.7
145.07597	7.1
147.09181	7.5
149.05988	1.3
150.06677	0.5
151.07526	2.3
159.09204	0.6
162.07904	1.1
163.03905	1.3
163.07539	2.5
163.08719	0.7
173.05775	0.8
173.07133	11.0
175.07581	0.5
175.08728	5.3
186.03169	1.2
190.07478	0.9
191.08157	100.0
194.07240	0.9
201.05519	2.9
201.09151	0.7
203.08377	0.6
205.06490	1.3
205.09679	1.0
215.11879	0.5
221.05986	0.7
222.06763	1.4
225.06639	0.7
233.05971	1.0
233.09311	1.6
237.09087	1.2
247.07501	0.7
249.05521	1.1
250.06203	1.4
265.08624	1.9
270.83591	0.5
271.10876	1.1
289.08990	0.5
289.11749	2.6
292.07410	2.0
292.10501	0.5
293.08069	2.9
293.11194	0.7
307.09628	3.0
307.12872	29.1
325.07684	1.0
325.10678	2.5
325.13968	22.4
334.72803	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1072
Annotation	7-Acetoxy-2'-methoxy-8-methylisoflavone
Peak:m/z	Relative Intensity
55.01846	0.6
55.05486	0.3
67.05487	0.4
69.07054	0.5
71.48878	0.3
79.05493	0.2
81.03377	0.2
81.07055	1.2
83.08604	0.4
85.06528	0.2
88.10497	0.2
91.05445	0.2
93.07030	0.5
95.08604	1.2
103.05462	0.2
105.07010	0.3
107.04956	0.3
107.08595	0.7
109.10117	0.5
115.05450	0.3
117.07011	0.2
119.08547	0.3
120.57047	0.2
121.10120	0.5
123.11652	0.4
131.04913	0.5
131.80000	0.2
133.10210	0.3
135.11646	0.3
137.05971	0.6
141.06915	0.2
145.06471	0.2
149.05977	0.2
149.13188	0.2
152.06175	0.4
153.06998	0.6
161.05989	0.4
165.06993	3.7
166.07797	3.8
167.08542	1.2
169.06398	0.2
176.06236	0.6
177.06979	1.4
178.07791	3.1
179.08554	3.4
180.09244	0.3
181.06502	2.7
181.10126	1.9
183.08043	0.4
185.74721	0.2
189.07001	0.9
190.07787	1.7
191.06938	0.3
191.08562	3.6
192.05627	0.2
193.06480	0.8
194.07277	15.3
195.08052	2.8
196.08838	0.2
197.05934	0.3
197.70863	0.2
198.06763	0.5
201.07028	0.2
202.07745	0.5
203.08524	0.6
204.05647	0.2
205.06474	5.2
206.07295	1.1
207.08061	5.4
208.05302	0.2
208.08815	1.5
209.06041	2.2
209.09619	6.3
209.11639	0.3
210.06711	0.3
211.07570	0.6
218.07280	1.3
219.08032	3.8
220.08784	1.0
221.05975	12.2
221.09578	0.6
222.06761	12.6
223.07545	3.6
224.08313	1.6
226.06320	0.2
231.08064	0.2
231.10249	0.2
233.05968	2.3
233.09537	0.6
234.06755	6.0
235.07549	4.4
236.04691	0.4
236.08295	2.5
237.05449	7.4
237.09105	21.9
238.09854	1.2
239.07036	0.4
240.07718	0.2
244.38249	0.2
246.06871	0.4
247.07535	3.9
248.08318	2.4
249.05460	1.1
249.09123	0.6
250.06268	24.3
251.06982	3.1
251.10782	0.8
252.07806	1.7
253.08559	0.4
254.09529	0.2
255.10005	0.2
261.08923	0.7
262.09366	0.2
263.07028	0.9
263.10620	0.3
264.07837	4.3
264.10641	0.2
265.08597	100.0
266.09137	2.3
275.07001	1.7
276.07761	0.5
279.10162	10.5
282.08917	1.4
283.09549	0.3
291.06552	0.3
292.07275	3.1
293.08093	2.1
293.10986	0.4
294.08826	0.2
297.07770	0.4
297.11227	4.4
307.09659	10.9
308.10071	0.3
309.07520	0.4
310.08276	0.8
325.10706	83.2
326.11014	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.217
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
50.87487	0.6
54.59713	0.6
55.05508	1.9
57.03434	0.7
58.89328	0.5
67.05508	4.1
68.05836	0.5
69.07069	9.7
74.22208	0.6
78.42934	0.8
79.05508	4.3
80.55398	0.5
81.07056	8.0
83.04980	4.1
86.09706	100.0
91.05482	9.6
93.07050	13.0
95.04983	2.4
95.08602	2.4
98.09668	0.6
105.07037	13.2
107.08595	4.1
108.16032	0.6
109.06520	8.1
109.10144	1.6
111.08077	4.0
119.08594	4.5
119.64559	0.7
120.86748	0.6
121.10095	1.0
123.08141	0.7
128.10724	4.7
129.06975	0.6
131.08562	3.7
132.10211	32.4
133.10124	16.7
138.13785	0.7
145.10124	1.1
147.11688	14.5
149.09648	1.2
149.13298	1.2
151.07599	2.1
151.11186	42.7
156.10262	1.3
157.10153	0.7
162.09409	0.6
165.12842	1.8
171.92256	0.7
175.11218	5.3
193.12251	4.0
210.14906	1.1
220.69252	0.7
222.14810	0.8
224.14369	0.7
229.48160	0.8
260.20093	7.6
269.50992	0.7
270.14026	0.7
278.21167	25.2
306.20691	4.9
324.21719	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	324.157
Annotation	Tyr Ala Ala
Peak:m/z	Relative Intensity
54.91467	0.8
67.05511	1.1
69.07067	1.3
73.06557	1.8
79.05532	0.9
80.36909	0.7
81.07048	2.4
91.05459	1.7
93.07045	1.2
95.08616	0.9
107.08627	1.1
109.30937	0.8
119.08588	0.8
124.12104	0.9
137.05963	1.1
160.04884	0.6
173.28642	0.8
176.98579	1.5
226.10890	0.8
283.02771	1.0
306.20731	0.8
324.15723	100.0
325.15939	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05521	1.1
53.47199	1.2
55.01868	4.5
56.05022	1.7
61.43625	0.9
64.81049	1.1
70.06592	10.4
71.00731	2.1
79.01877	1.0
79.05501	1.3
91.05479	3.0
93.03402	1.3
95.04967	1.1
103.05473	1.5
105.03398	10.8
105.07030	2.7
105.56423	1.0
107.04943	1.6
109.02857	3.0
115.05444	2.2
117.07009	2.3
121.02869	1.9
128.06256	6.1
129.07019	33.5
131.04951	3.4
133.06468	3.3
137.05997	1.3
139.05383	2.1
141.06999	2.3
143.04932	1.6
145.06485	2.9
147.04396	7.5
147.08064	6.1
149.05975	3.5
155.08408	1.0
157.06506	39.5
159.04359	1.0
161.05972	4.1
163.03883	2.9
167.04860	1.8
171.08102	1.0
173.06010	3.1
175.03882	5.5
175.07571	11.2
177.05481	19.0
178.05849	2.3
180.97343	1.0
185.05986	69.5
188.07091	2.8
189.05496	20.5
189.09181	1.8
191.03398	13.0
191.06976	1.7
199.07599	10.2
201.05428	2.3
202.08673	11.3
203.07056	25.9
206.05699	2.5
206.08197	1.1
213.05507	14.5
217.08603	27.1
219.06502	5.3
221.08110	9.8
229.04932	2.2
231.06549	26.5
237.07596	1.4
245.05580	1.4
245.08093	27.1
248.09256	10.6
250.05754	1.1
262.10797	3.9
263.09155	4.5
275.05649	1.6
280.11819	100.0
304.47842	1.3
324.10797	28.2
348.34967	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.6
55.05503	3.5
56.96566	1.6
57.07064	0.9
59.04987	1.9
65.03901	0.8
67.05502	4.6
69.03410	1.3
69.07077	8.6
71.04987	6.2
71.48957	1.1
79.05502	4.9
81.07057	9.4
83.08606	3.3
84.96000	1.1
85.02893	1.5
85.06549	43.4
91.05478	3.9
93.07036	7.0
94.04187	0.8
95.08619	9.9
97.06536	15.9
97.10151	1.0
98.97605	4.5
103.05444	1.3
105.07047	8.5
107.08598	9.7
109.06549	1.2
109.10156	12.5
110.97566	2.0
111.08086	1.4
112.99167	0.9
115.05413	1.4
117.07009	2.0
119.08591	11.3
121.06502	1.2
121.10144	12.9
122.03612	1.9
123.04445	3.7
123.08057	1.9
123.11729	4.8
125.09629	2.9
128.06219	1.7
129.07025	2.3
131.04953	1.5
131.08580	2.4
133.06549	1.3
133.10130	11.7
135.11708	7.0
137.05986	19.3
137.13248	1.2
143.00197	1.1
145.10123	6.7
147.11716	8.1
149.05968	2.2
149.13248	2.7
153.07018	1.1
157.06532	1.1
157.10115	1.9
159.11725	11.9
160.05292	1.3
161.05981	8.8
161.13272	12.3
162.10312	0.8
163.11130	1.1
163.14816	3.2
165.07008	1.8
165.12663	1.2
171.08055	1.8
171.11720	2.0
173.13287	11.9
175.07515	4.3
175.14845	6.3
177.12776	1.1
177.16475	1.3
178.03937	1.2
179.14322	3.0
184.05135	1.4
185.06029	0.9
187.14812	5.2
189.09187	2.3
189.16371	3.2
190.07841	1.2
191.08543	3.8
191.14285	2.2
192.09357	2.1
198.06676	1.1
199.07562	10.1
199.14754	1.8
201.00699	1.6
201.16396	4.9
202.07768	13.3
203.08557	33.2
203.17987	2.3
205.06529	2.9
205.10408	1.0
206.07079	1.1
209.09749	1.0
213.16324	2.1
215.08580	1.6
215.17932	2.5
217.19478	1.1
218.07417	1.2
219.01733	2.8
219.08057	8.8
219.10173	6.4
219.17467	7.7
220.08853	9.8
221.09570	1.8
221.19214	1.0
223.07349	1.0
226.06270	2.8
227.06949	1.5
227.17928	1.7
229.19516	10.1
230.07207	1.6
231.08055	37.2
231.17361	1.4
232.08809	7.4
233.05972	4.9
233.09462	1.0
233.19119	1.8
234.06708	1.8
235.07504	1.3
235.11189	1.7
237.02956	1.6
237.05426	1.4
237.09160	2.5
241.08615	3.9
243.21106	1.1
245.09618	2.8
245.19162	1.0
247.07588	7.3
247.20595	7.6
248.08334	37.2
249.09032	6.2
249.57143	0.8
250.06345	2.5
251.07101	1.8
255.06525	2.0
258.06821	1.5
259.07535	18.0
260.08374	7.8
261.05453	1.1
261.09164	2.1
262.06384	1.5
262.09888	3.9
263.10672	33.9
264.07919	1.2
264.11176	1.4
265.05695	1.1
265.08548	7.2
269.08115	3.3
269.22623	8.6
270.08920	1.5
273.09067	1.6
275.07047	2.0
275.10663	0.9
276.05023	1.5
276.07828	22.5
277.08569	13.3
278.05716	2.3
280.10922	2.9
287.23691	16.7
290.09384	3.0
291.10162	84.6
292.07434	1.3
292.10791	10.6
293.08090	14.7
293.11096	0.9
294.08875	2.3
295.06308	1.2
295.09744	2.1
295.13113	1.6
305.11661	3.3
305.24707	9.3
307.09631	3.7
308.10452	12.5
323.12775	100.0
323.25894	6.2
324.13101	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	323.2582
Annotation	5,13-Dihydroxygeranylgeraniol
Peak:m/z	Relative Intensity
55.05520	20.6
57.07061	8.0
67.05506	21.7
69.07076	35.8
69.56759	16.0
69.57172	11.7
71.04986	16.0
71.45355	4.3
79.05484	6.8
81.07073	42.5
83.08617	14.6
85.06546	100.0
91.05489	12.7
93.07038	38.9
95.08620	37.1
97.06528	18.3
97.10191	13.4
105.07036	44.3
107.08599	47.8
109.10156	34.2
111.08076	9.3
111.11718	5.4
119.08595	44.6
121.10154	50.2
122.14780	4.9
123.08106	5.1
123.11684	21.2
125.09624	8.3
131.08586	14.9
133.06505	5.1
133.10168	42.1
135.11751	19.2
137.05984	17.6
137.09578	5.8
137.13268	5.3
139.11176	10.4
145.10138	25.8
147.11719	36.2
149.13263	10.6
151.11209	8.0
157.10152	8.6
157.12257	4.6
159.11714	34.1
161.06004	45.7
161.13217	31.4
163.14844	33.9
165.12782	5.3
167.88014	4.3
171.11728	7.9
173.13248	30.5
175.11302	4.7
175.14825	9.1
177.12735	5.4
177.16605	5.1
179.14359	5.7
187.14856	12.1
189.16417	13.9
191.08508	7.8
191.14362	6.3
193.15776	4.5
199.07526	7.1
201.16525	6.9
202.07780	11.6
203.08588	14.3
203.17957	34.4
213.16525	8.3
215.17963	8.0
217.15988	5.1
219.08044	4.9
219.17438	7.5
220.08852	5.4
221.19073	20.0
221.34251	4.1
229.19577	39.9
231.08026	37.9
231.17459	11.5
232.08759	5.7
245.19080	4.9
247.07523	8.2
247.20615	14.8
248.08363	14.3
249.18413	6.5
259.07529	25.3
260.08359	10.9
263.10690	15.6
269.22760	20.3
276.07874	14.8
287.23740	55.4
291.10147	57.1
292.10809	4.5
305.24829	32.1
323.09344	7.7
323.12775	50.1
323.25977	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	323.2581
Annotation	5,13-Dihydroxygeranylgeraniol
Peak:m/z	Relative Intensity
55.01864	6.4
55.05509	14.4
57.03437	4.0
60.89328	2.3
65.95676	2.3
67.05508	17.8
69.03410	3.4
69.07067	26.4
69.11232	2.1
69.95673	11.6
71.04985	12.6
79.05505	16.5
81.07053	28.0
83.04964	7.7
83.08594	8.4
85.06546	100.0
91.05455	11.1
93.07056	20.6
95.08622	30.8
97.06532	92.3
97.07160	4.5
98.97592	4.3
100.24952	2.7
104.96915	2.4
105.07034	23.3
107.08594	34.9
109.06506	3.7
109.09505	2.4
109.10172	30.5
111.08075	5.2
117.06976	3.2
119.08592	32.9
121.06499	3.4
121.10160	39.1
123.04427	16.4
123.08018	3.1
123.11694	14.9
125.09612	5.6
129.06967	2.5
131.08563	9.8
133.10133	37.2
135.08046	4.6
135.11693	16.0
137.05949	10.4
137.09576	6.0
137.13364	3.1
143.08574	3.7
145.10127	18.1
147.11690	22.4
149.13251	7.9
154.18982	2.4
157.10100	7.9
159.11711	32.2
161.05959	5.6
161.13283	33.1
163.11134	2.9
163.14864	14.2
165.12756	3.7
171.11661	6.3
173.13297	24.6
175.07588	5.7
175.11154	3.4
175.14836	14.8
177.05482	4.1
177.12762	2.3
177.16382	2.8
179.14320	4.7
185.13220	7.0
187.14883	13.3
189.12779	2.8
189.16389	8.8
191.14276	6.9
193.15977	2.7
199.07492	4.8
199.14922	5.1
201.16441	13.0
202.07765	11.0
203.08562	22.4
203.17940	8.8
205.06438	2.9
205.15845	3.3
213.16333	7.1
215.82661	2.8
217.15857	5.1
217.19612	3.7
219.01772	3.3
219.07994	6.5
219.10159	30.8
219.17487	16.0
220.08852	9.6
221.19002	5.3
227.06737	3.3
227.18004	5.9
229.19501	29.7
231.08087	25.5
231.17517	4.5
232.08839	5.0
233.19078	4.0
237.02811	2.6
245.19040	7.0
247.07487	4.5
247.20558	17.4
248.08321	27.4
249.09030	4.5
259.07590	10.7
260.08301	7.2
261.09009	3.3
263.10690	22.9
265.08548	5.8
265.21579	4.0
269.22592	18.5
275.06955	3.1
276.07785	18.2
277.08527	7.3
287.23721	44.8
291.10172	56.3
292.10895	8.2
293.08041	8.9
305.11664	2.6
305.24750	31.2
307.09738	2.9
308.10416	10.9
323.12766	83.9
323.25769	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60210	1.8
54.01862	2.4
55.01869	2.9
55.05511	11.3
57.03439	2.6
59.04973	2.3
67.05504	11.4
67.22218	2.0
69.07070	24.0
69.64843	10.5
71.04988	11.2
79.05500	9.9
81.07069	26.2
83.08608	7.1
85.06548	64.8
91.05486	6.1
93.07062	17.4
95.04971	3.8
95.08617	26.5
97.06546	25.0
97.10175	5.8
98.20848	3.0
99.08096	2.8
105.07032	18.0
106.00652	2.2
107.08598	19.7
109.10168	23.6
111.08085	4.3
117.07057	2.2
119.08596	23.9
121.09312	3.8
121.10135	28.3
123.04440	5.2
123.08008	2.6
123.11719	17.7
125.09676	5.3
129.07152	2.2
131.08562	5.9
133.10133	24.1
135.11673	11.0
137.13287	3.8
139.11180	9.1
143.08586	4.5
145.10124	9.1
147.11714	17.5
149.13255	7.0
157.12285	2.9
159.11697	18.3
161.05988	7.2
161.13261	26.2
163.11258	2.4
163.14825	6.8
165.12753	4.1
171.11751	3.4
173.13278	13.9
175.14832	9.4
179.14375	4.9
187.14844	11.0
189.16425	4.9
191.08620	2.4
199.07632	4.5
199.14851	3.2
201.16417	7.3
202.07808	10.8
203.08565	23.9
203.18031	3.7
205.06487	5.9
213.16396	5.1
215.18091	3.0
217.16064	2.5
217.19446	2.6
219.08037	6.8
219.10187	5.9
219.17384	11.0
220.08865	10.1
227.17967	3.5
229.19525	16.0
231.08064	32.6
232.08878	10.4
233.06007	3.3
234.06593	2.5
235.20465	2.7
237.09065	4.3
245.09738	2.6
247.07570	8.0
247.20518	12.9
248.08379	32.2
249.09068	6.4
250.06206	6.8
259.07523	11.4
260.08316	7.8
261.09109	3.3
262.09851	2.4
263.10751	29.0
265.08618	5.9
269.22687	15.0
275.06998	3.1
276.07867	16.3
277.08786	11.1
278.05524	3.1
279.10083	3.6
280.10864	3.9
287.23709	34.1
291.10165	56.3
292.10889	5.4
293.08148	27.8
305.24796	20.3
307.09689	2.2
308.10428	10.5
323.12805	100.0
323.25723	11.1
324.13132	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	323.2581
Annotation	5,13-Dihydroxygeranylgeraniol
Peak:m/z	Relative Intensity
53.03956	3.6
55.01869	3.0
55.05506	25.8
56.96600	2.9
57.03431	3.8
57.07064	8.9
58.10612	2.8
63.20958	2.5
67.05508	30.1
69.03417	8.3
69.07072	49.9
69.52988	15.2
71.04995	20.2
71.08611	2.9
73.06552	3.2
73.81658	2.5
79.05486	17.2
81.07060	59.3
83.04953	5.4
83.08626	19.4
85.06544	100.0
88.22385	2.5
91.05489	18.7
93.07043	57.2
93.75187	3.0
95.04968	4.9
95.08614	55.7
95.32954	2.7
97.06520	12.5
97.10161	16.1
98.97591	6.8
99.08121	3.5
105.07039	45.1
107.08592	62.1
109.06530	5.5
109.10164	46.3
111.08069	6.6
111.11729	8.9
117.07005	7.4
119.08582	53.5
119.85012	2.8
119.88276	3.1
121.06503	2.9
121.10146	72.1
123.08054	6.7
123.11714	19.1
125.09637	11.0
127.11156	3.1
129.07127	2.6
131.08588	18.7
133.09248	4.6
133.10144	45.3
133.70786	3.0
135.08060	4.8
135.11717	23.5
137.09630	4.0
137.13235	6.6
139.11217	15.0
143.08540	7.1
145.10130	28.3
147.11696	50.7
149.09639	6.3
149.13254	17.0
150.40575	2.9
151.11169	8.6
151.14783	3.7
155.10677	5.2
157.10130	10.9
157.12244	11.4
159.11716	39.6
161.09708	3.4
161.13258	35.2
163.11156	5.2
163.14828	58.9
165.12726	6.0
171.11674	11.3
173.13280	43.0
175.11125	2.9
175.14856	17.7
177.12784	4.4
177.16246	4.3
179.14253	7.7
184.46370	2.6
185.13190	7.5
187.14865	18.3
189.16342	11.9
191.14342	6.8
197.06136	6.0
199.14793	9.4
201.16386	20.8
203.08493	3.7
203.17966	46.3
205.15875	3.8
213.16434	14.5
215.17877	6.7
217.15958	6.2
217.19545	6.5
219.17451	7.5
221.18965	28.4
227.18057	4.9
229.19507	35.0
231.17465	16.1
247.20636	21.1
249.18503	5.9
269.22620	21.9
279.06625	5.1
287.23715	80.1
291.10217	6.7
300.15906	6.2
305.24747	38.3
323.09152	6.4
323.12729	19.8
323.18500	4.8
323.25757	23.9
336.81012	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	323.2584
Annotation	5,13-Dihydroxygeranylgeraniol
Peak:m/z	Relative Intensity
53.03946	4.1
55.01861	5.3
55.05513	9.8
55.23672	2.3
57.07068	5.7
63.62280	2.3
67.05502	16.6
68.14841	2.2
69.07063	21.3
69.61017	4.0
69.61426	10.6
71.05004	15.2
77.03953	2.6
77.28786	2.3
79.05495	16.8
80.94975	2.3
81.03459	2.3
81.07062	26.3
83.04994	18.5
83.08633	7.6
85.06547	100.0
91.05483	10.7
93.07037	17.3
95.04992	5.0
95.08607	26.7
97.06535	71.1
97.10162	3.7
98.20831	2.9
105.07040	27.9
107.08609	29.9
109.06536	3.4
109.10162	33.3
111.08099	4.0
117.07062	3.1
119.08592	35.5
121.10140	32.5
123.04440	10.7
123.08056	3.0
123.11692	14.1
125.09624	3.9
131.08571	10.9
133.10133	31.7
135.11700	10.9
139.11250	3.8
141.07060	2.9
145.10110	13.8
147.11684	22.2
148.02934	2.3
148.03900	13.6
149.04317	7.6
149.13251	7.4
155.08508	5.9
157.10141	5.9
159.11699	28.7
161.13239	31.0
163.14845	11.0
165.12747	5.3
171.11700	6.1
173.06091	2.6
173.13243	22.3
175.14920	13.4
177.12823	4.1
177.16426	2.8
179.14349	6.6
183.08096	8.5
185.13251	3.7
187.14873	13.6
189.16420	6.6
193.15852	4.3
197.05994	7.0
199.14891	5.9
201.09105	19.4
201.16420	12.8
203.17909	6.4
205.15933	3.1
213.16367	7.5
215.18016	5.9
217.19455	5.3
219.10143	7.3
219.17479	19.8
221.19096	3.3
226.06310	3.5
227.07001	5.1
227.17937	3.6
227.38371	2.7
229.08615	10.2
229.19511	31.5
231.17538	2.8
233.19051	6.2
243.20970	3.3
245.19057	3.0
247.20665	17.9
249.18500	3.2
261.11206	7.3
261.22034	2.7
267.09964	5.4
269.22672	18.8
287.23727	45.5
305.24725	29.6
310.25565	3.1
323.05588	2.9
323.09271	4.8
323.12704	27.7
323.16028	2.9
323.25937	21.1
327.57065	2.3
337.77362	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	323.2581
Annotation	5,13-Dihydroxygeranylgeraniol
Peak:m/z	Relative Intensity
53.94287	1.8
55.01870	5.8
55.05515	15.1
57.03431	3.0
57.07068	4.3
57.61454	1.9
59.04998	18.4
63.39112	2.2
65.03940	2.2
67.05506	14.1
69.03438	4.0
69.07065	21.0
69.57810	6.9
69.58218	5.2
71.05001	15.2
79.05499	14.5
81.07060	23.5
83.04974	3.2
83.08630	6.0
84.04510	16.9
85.06545	100.0
91.05476	18.7
93.07045	26.1
95.04948	2.9
95.08607	21.8
97.06536	21.3
97.10159	2.1
99.08096	2.9
101.01731	6.3
101.07162	2.7
103.05414	3.0
103.07566	2.6
105.07036	25.5
107.08601	30.4
108.91982	1.7
109.02843	2.0
109.06513	3.3
109.10164	25.1
111.08070	6.6
113.09687	2.3
115.05527	2.5
117.07028	5.5
119.08579	32.6
121.02882	2.5
121.06501	3.2
121.10143	30.1
122.03710	2.0
123.04441	6.7
123.08058	3.9
123.11742	10.6
125.09615	2.8
128.06201	3.3
129.06761	4.1
130.05005	19.9
130.07841	2.6
131.07028	8.0
131.08577	12.8
133.02824	2.0
133.06494	3.5
133.10136	37.6
135.04446	2.7
135.08087	2.2
135.11688	20.4
137.05988	16.7
137.09563	1.9
137.13269	2.4
139.11163	5.2
143.08614	4.0
145.06517	2.1
145.10130	15.3
146.03658	4.4
147.04401	4.0
147.07684	11.5
147.11708	19.5
149.05988	4.0
149.09641	2.6
149.13272	7.5
153.05492	3.8
155.08551	2.5
157.10156	4.7
158.10912	2.6
159.11699	37.4
161.02441	2.2
161.05986	29.5
161.13255	27.4
163.03929	4.9
163.11232	2.8
163.14842	5.8
165.05487	5.6
165.06947	3.6
165.12804	3.5
167.03426	13.2
171.04387	2.4
171.08006	3.9
171.11684	3.3
173.09952	2.5
173.13277	19.5
175.04083	2.1
175.07484	2.6
175.14818	11.5
177.05484	10.7
177.12756	28.2
179.14322	4.6
185.13203	4.4
187.14816	10.9
189.05516	4.3
189.09123	2.2
189.16382	4.5
191.03403	4.1
191.10571	2.3
191.14394	3.2
193.15897	4.0
195.08107	3.4
199.07581	6.9
201.09137	7.3
201.16393	5.8
202.07796	5.9
203.08560	9.8
203.10303	2.1
203.17909	4.3
204.04341	2.4
205.06554	2.8
211.17102	2.2
213.09106	4.1
213.16438	4.8
215.17928	6.9
217.04942	2.4
217.15849	2.8
217.19592	3.6
219.08154	4.6
219.10123	42.4
219.17436	15.2
220.08820	4.0
227.17975	4.2
229.19540	21.7
230.07353	2.2
231.08028	15.3
231.10185	10.3
231.17493	3.5
233.19006	2.3
237.09105	2.4
241.08609	3.2
243.21030	2.2
245.09502	2.6
245.19038	2.4
247.07645	2.9
247.20563	16.0
248.08316	7.9
249.08948	3.1
256.75098	1.9
259.07559	10.5
259.09875	3.2
260.08224	2.8
263.10605	11.0
265.21466	1.9
269.22614	12.5
269.91141	2.1
276.07834	6.4
277.08493	3.7
287.08997	3.9
287.23724	37.3
291.10095	23.8
293.08200	4.8
295.05908	2.9
295.13354	2.1
305.10049	13.1
305.24771	19.2
308.10413	3.4
323.09280	4.0
323.12839	37.4
323.19681	9.6
323.25751	15.3
335.85370	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.258
Annotation	5,13-Dihydroxygeranylgeraniol
Peak:m/z	Relative Intensity
53.61689	3.6
54.62173	3.5
55.05501	18.9
62.77243	3.6
67.05485	12.0
69.07066	32.5
69.60753	20.2
71.04984	13.1
79.05483	8.3
79.99073	3.1
81.07049	32.3
83.08600	8.6
85.06027	5.1
85.06546	100.0
89.75861	3.1
91.05466	9.1
93.07066	24.5
95.08604	33.0
97.06520	9.3
97.10148	16.7
97.36971	4.4
98.21497	7.1
103.06592	3.6
104.07207	3.8
105.07041	20.6
107.08583	21.4
109.10144	21.2
111.11669	3.8
119.08579	27.3
121.10163	18.3
123.11684	11.9
125.09604	8.8
127.11253	7.9
131.08539	7.3
133.10139	24.9
135.11679	7.8
137.09592	6.4
137.13275	4.5
139.11179	23.7
145.10133	20.3
147.11671	15.6
149.13237	6.8
157.12227	13.1
159.11713	40.8
161.13289	28.9
163.14792	5.0
171.11891	3.7
173.13303	10.8
175.14807	11.5
178.18001	3.6
179.14267	7.2
193.15843	13.4
201.16402	35.6
203.17776	4.6
213.22630	4.1
215.17889	5.3
219.17435	35.9
229.19458	5.4
237.18451	13.9
269.22592	5.2
287.23651	11.8
305.24808	17.6
323.25766	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	323.2581
Annotation	19-hydroxy-ETA
Peak:m/z	Relative Intensity
53.03936	2.8
54.57512	1.8
55.05515	21.0
56.03393	1.6
57.03422	1.9
57.07069	6.8
57.83777	1.8
59.04994	4.1
67.05508	27.9
68.36874	1.7
69.03426	3.2
69.07071	34.5
69.39590	10.6
69.39999	3.5
71.04995	36.3
71.08658	2.1
72.06747	1.7
79.05489	17.4
81.07059	63.5
83.04958	3.0
83.08629	13.3
85.06550	23.0
91.05484	15.2
93.07053	33.3
95.04991	2.2
95.08611	100.0
96.08957	2.2
97.06533	7.6
97.10168	17.8
98.20842	4.6
99.08090	7.5
105.07044	34.1
107.08594	48.2
109.06544	3.4
109.10160	57.0
111.08080	5.8
111.11708	7.2
113.09653	7.1
117.07010	4.0
119.08584	46.2
121.10159	38.5
123.08098	5.5
123.11722	22.5
125.09625	15.8
127.11205	29.1
131.08546	15.0
133.10135	32.6
135.11690	23.1
137.09621	30.0
137.13266	8.8
139.11209	25.3
141.12791	2.1
143.08563	3.7
143.10680	4.7
145.10144	23.0
147.11700	26.4
149.13260	17.8
151.11224	3.1
151.14839	2.5
155.10638	1.9
157.10155	8.3
157.12224	11.2
158.11029	2.0
159.11710	34.7
160.12364	1.8
161.13254	19.1
163.14838	22.1
165.12790	8.7
167.14343	5.7
171.11682	4.9
173.13266	23.9
175.11101	2.3
175.14853	10.8
177.12752	1.9
177.16428	3.2
179.14357	5.0
181.15884	3.6
185.13234	7.5
187.14784	6.7
189.16393	15.5
199.14845	7.5
201.16394	41.2
203.12625	2.0
203.14345	2.0
203.17953	4.4
209.15364	4.3
213.16399	10.9
215.17967	7.7
217.15881	2.1
219.17546	9.4
223.16949	3.0
227.17915	5.0
229.19574	9.8
231.17407	3.0
243.21114	4.4
245.18997	2.3
245.22588	4.0
257.22678	4.9
263.23734	2.8
269.22638	20.8
272.68173	1.9
275.23779	3.0
287.23706	28.9
305.24728	31.3
323.25815	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	323.2582
Annotation	5,13-Dihydroxygeranylgeraniol
Peak:m/z	Relative Intensity
55.05504	19.9
57.07074	9.4
61.17954	3.9
61.24330	4.4
67.05516	32.1
69.07076	60.3
70.51375	5.1
70.51723	13.4
71.04990	32.2
79.05490	19.1
81.06651	6.9
81.07060	67.7
83.04967	5.6
83.08626	12.3
84.33638	4.0
85.06552	64.8
87.62252	4.6
91.05486	16.3
93.07048	34.9
95.08620	100.0
97.06546	11.2
97.10181	28.0
99.08082	9.7
105.07040	38.3
107.08612	57.0
109.06551	7.3
109.10164	61.0
111.11699	9.4
113.09734	5.4
117.07013	7.8
118.46896	4.1
119.08597	44.7
121.10166	47.6
123.11716	20.4
125.09653	17.5
127.11212	19.6
131.08578	16.1
133.10118	27.2
135.11731	24.1
135.90950	5.1
137.09624	30.9
137.13251	13.9
139.11226	35.2
145.10141	23.0
147.11685	32.0
149.13268	16.5
156.09267	5.6
157.10121	13.0
157.12251	25.0
159.11690	50.0
161.13289	36.7
163.11192	6.5
163.14832	20.2
165.12837	7.0
171.11696	5.4
173.13268	16.5
175.14796	15.0
177.12601	5.2
179.14262	7.6
185.13327	6.7
187.14774	5.5
189.16391	10.0
191.14377	4.6
193.15886	12.1
199.14862	7.5
201.16383	43.7
203.18001	5.5
213.16284	10.2
215.18066	8.0
219.17456	29.1
229.19514	7.8
237.18471	14.0
245.22789	6.4
257.22787	6.3
257.36749	5.0
269.22583	17.1
287.23761	24.7
305.24799	28.5
323.25748	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2218
Annotation	Rapanone
Peak:m/z	Relative Intensity
55.01867	7.0
55.05503	7.7
57.03436	25.1
57.40874	1.7
58.91990	1.8
60.55714	1.7
62.69522	1.9
67.05506	25.0
69.03429	3.1
69.07064	3.8
71.04993	5.6
71.49358	3.0
74.53985	1.6
79.05492	14.9
81.03411	2.8
81.07056	18.8
83.04974	6.2
83.08632	2.7
85.02895	2.8
85.06543	31.2
91.05461	10.2
93.07037	13.3
94.28743	1.8
95.04974	33.5
95.08596	8.8
97.06510	3.4
97.10189	3.8
102.02100	1.7
105.07040	10.3
107.04974	2.8
107.08596	10.6
109.06526	27.3
109.10126	4.0
111.04448	3.9
111.08096	4.9
113.06010	100.0
117.07029	7.0
119.08534	8.8
121.06525	3.7
121.10131	4.3
123.08045	4.2
128.92596	1.9
129.06987	4.2
131.08562	9.8
133.10135	3.8
135.08043	27.1
135.11696	5.6
139.40466	1.7
143.08542	5.4
145.10104	6.8
147.07990	3.3
149.09633	2.8
156.09367	1.7
157.10118	3.6
159.11668	2.1
161.09682	3.9
163.11186	3.2
171.11697	3.0
175.11150	3.1
181.12212	3.3
191.10719	2.7
196.17578	1.7
201.57170	1.9
214.04277	1.8
217.15932	11.0
227.12787	3.6
245.19167	2.8
255.17532	2.2
273.18542	16.5
291.19562	47.2
305.21008	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36237	2.7
53.03940	5.6
55.01883	14.1
55.05516	35.1
57.03421	10.5
57.07069	5.4
67.05511	68.4
69.03415	9.6
69.07073	30.3
69.23577	2.8
69.78470	13.0
71.04999	4.8
72.14546	2.6
73.06548	3.7
79.05067	5.3
79.05495	56.9
81.03394	6.9
81.06599	4.8
81.07059	81.6
83.01334	7.2
83.04990	19.9
83.08620	14.9
85.06538	8.7
91.05482	43.5
93.07055	58.6
95.04985	14.5
95.08060	4.6
95.08611	46.4
96.04505	30.9
97.04816	8.4
97.06524	11.9
97.10154	7.3
105.07035	51.6
107.04945	13.1
107.08603	48.2
109.06519	15.6
109.10159	41.3
111.04425	12.2
111.08099	15.8
117.07008	11.4
119.08588	22.2
120.05259	3.5
121.06494	17.8
121.10165	16.9
123.04412	5.1
123.08086	8.3
123.11698	12.7
125.06007	5.0
125.09644	3.1
128.57870	2.9
129.06987	11.3
131.08572	20.2
133.06509	15.0
133.10139	68.1
135.08026	9.9
135.11697	14.3
137.05972	9.8
137.09598	6.0
139.07520	8.8
139.11099	4.1
143.08557	9.9
145.06511	3.2
145.10121	12.9
147.08034	13.0
147.11665	10.0
149.09602	9.7
149.13229	4.1
151.11192	62.3
157.10123	8.8
159.11713	6.3
161.09593	23.5
161.13242	9.2
163.11243	5.9
165.12767	4.2
168.59468	3.0
171.11687	10.1
175.11163	9.0
177.09119	5.9
177.12711	4.6
179.10657	10.4
179.14352	4.9
181.08539	3.4
183.11707	2.8
183.13768	15.7
186.06340	3.2
187.11169	3.1
189.12759	6.8
199.11110	4.6
203.14410	4.2
207.13847	3.2
213.12776	3.5
217.12270	5.7
219.13795	4.0
223.13293	5.5
227.18054	4.0
228.11113	3.4
245.19037	17.6
249.14984	3.5
255.17487	5.3
263.20065	22.0
273.18527	43.7
273.21341	5.0
291.19559	100.0
305.21198	9.6
323.22214	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	323.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.9
55.01884	17.9
55.05513	40.0
55.57066	3.5
57.03427	8.4
67.05503	77.2
68.73485	3.4
69.03426	11.8
69.07067	45.6
69.30372	18.2
69.30784	10.8
69.45531	3.2
71.04987	8.2
79.05495	71.4
81.03421	6.8
81.06592	7.5
81.07056	100.0
83.04976	29.4
83.08597	15.3
85.06527	5.1
87.75965	3.1
91.05480	73.3
93.07047	65.3
95.04961	17.1
95.08611	45.5
97.06516	13.5
99.08094	8.4
105.07034	59.2
107.04955	15.0
107.08587	56.0
109.06513	15.8
109.10152	59.9
111.04456	11.8
111.08082	13.1
117.07022	13.5
119.08572	26.7
121.06479	20.3
121.10149	26.0
123.04460	6.2
123.08051	11.8
123.11700	20.6
125.05975	3.4
127.07571	3.3
129.06979	11.0
131.08572	27.9
133.06520	18.2
133.10139	93.5
135.08043	11.6
135.11700	10.3
137.09639	6.8
139.07564	9.6
143.08545	8.3
145.10121	12.6
147.08047	14.4
147.11682	13.3
149.09656	15.6
151.11185	83.0
155.07039	3.7
157.10181	8.7
159.08089	5.3
159.11731	6.4
161.09619	15.3
161.13283	6.8
163.11255	5.7
165.12769	5.3
171.11710	12.7
175.11234	7.1
177.09106	11.4
179.10759	4.8
183.12187	3.1
183.13799	26.2
185.13235	7.5
189.12698	6.1
195.11726	3.9
199.11121	4.1
207.13834	3.7
213.12778	5.1
217.12260	3.9
221.11409	3.5
227.17885	5.2
245.19083	20.0
249.18573	4.3
263.20053	17.5
272.06454	6.3
273.18494	43.8
282.13339	4.2
291.19568	71.0
305.21091	14.2
323.22214	35.9
323.25958	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1279
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
55.01884	0.9
55.05495	1.6
59.04989	1.7
67.05512	1.2
69.07049	1.6
70.87803	1.5
70.88792	0.5
71.04999	1.0
77.28738	0.6
79.05481	1.5
81.07050	1.7
85.02906	0.7
85.06545	3.9
89.03901	0.9
91.05502	1.6
93.07047	1.0
95.04968	0.6
95.08601	2.0
97.06522	1.9
105.07056	1.4
107.08562	0.7
109.10136	1.7
112.59563	0.6
115.05453	1.0
117.03336	0.6
118.04240	0.5
119.08573	2.0
121.02860	0.8
121.10156	1.4
123.04454	1.1
123.11722	0.5
128.06175	0.9
129.06995	0.6
133.02850	1.4
133.06462	0.7
133.10118	1.8
134.03586	0.7
135.04462	0.9
135.11713	0.6
137.05965	2.5
143.08575	0.6
145.02858	1.7
145.10139	0.7
147.04344	1.2
147.11684	0.9
149.02322	0.7
149.05968	1.8
152.06175	0.6
153.05466	1.1
153.06989	1.1
155.08447	0.6
157.06497	0.6
159.11694	1.5
159.49091	0.6
160.05171	0.7
161.02403	0.9
161.05948	3.3
161.13260	1.3
162.03229	0.8
163.03891	1.9
165.05542	1.3
165.06839	1.0
167.03398	2.1
169.06476	0.8
171.07996	0.8
175.07570	2.1
177.05530	1.7
178.09531	0.5
179.08389	0.5
181.06479	1.6
187.07504	0.8
189.01694	0.6
189.09052	0.6
191.08577	1.4
192.09325	1.5
195.08040	1.4
198.06804	2.2
199.07567	3.6
201.09108	2.3
202.07796	7.4
203.03296	0.7
203.08556	22.1
205.06535	3.3
207.08092	0.7
208.05214	0.6
209.06065	0.8
209.09641	0.8
210.06754	1.3
211.07587	1.3
213.09032	1.4
215.08594	1.3
218.07262	0.7
219.08075	6.0
219.10187	6.8
220.08800	7.4
221.06035	1.5
221.09561	1.4
223.07616	0.9
224.08382	1.0
226.06194	2.9
227.06905	0.9
230.07205	1.0
231.08067	26.9
231.10086	1.9
232.08881	4.6
233.06013	4.3
234.06702	1.7
235.11183	0.6
237.09120	4.3
239.07089	1.0
240.07803	1.1
241.08565	8.3
245.09813	1.4
247.07588	5.7
247.20403	0.6
248.08351	35.2
249.05365	0.8
249.09076	5.7
250.06259	3.1
251.07001	2.9
251.10867	0.7
252.08006	0.8
252.11507	1.4
254.09364	1.4
255.06401	1.2
258.06885	0.8
259.07541	12.7
259.09973	1.2
260.08368	4.3
261.05536	1.6
261.09103	2.4
262.06253	2.1
262.09808	4.5
263.10693	28.3
264.07819	1.3
264.11264	0.8
265.08609	8.2
269.08102	5.2
269.94568	0.6
270.08746	1.0
273.09125	1.2
274.09827	1.0
275.07016	1.3
275.10651	1.5
276.07813	23.3
276.10837	1.2
277.05521	1.0
277.08569	12.5
278.05734	1.8
279.06622	3.1
279.10168	1.8
280.07300	1.7
280.10904	3.0
287.09198	1.1
287.23627	1.5
290.09406	2.6
291.10162	67.1
292.07535	1.1
292.10864	11.5
293.08057	9.8
294.08905	4.1
295.05975	1.9
295.09677	3.7
295.13260	2.5
305.12009	6.7
305.19501	0.8
305.24899	1.3
307.09634	5.5
308.10455	12.3
323.05457	4.1
323.12784	100.0
324.13147	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45689	0.5
69.77431	2.8
70.06590	0.7
78.04713	0.5
83.06101	3.8
84.04497	2.0
89.03918	6.8
91.05473	1.1
98.21414	1.0
101.07153	1.1
106.04144	1.0
113.60507	0.6
117.03387	27.2
129.06602	11.2
130.05006	1.3
134.03622	2.4
134.04550	0.6
135.04416	1.0
137.06009	0.7
145.02858	57.9
147.04448	1.1
147.07635	1.9
149.05988	10.7
159.99733	0.6
162.03146	0.6
163.03891	1.1
165.07016	1.7
166.21115	0.6
177.05482	100.0
178.05798	0.6
201.09023	0.7
203.08549	1.6
220.08858	0.8
221.05975	2.4
231.08081	2.4
239.06984	0.9
248.08369	1.2
249.05476	2.8
259.07471	0.7
263.10678	2.0
276.07831	1.4
277.05008	1.4
277.08588	0.6
291.10172	5.0
292.10919	0.7
293.07950	1.0
295.06116	2.7
305.04471	0.6
323.05624	5.4
323.09299	0.9
323.12759	5.5
323.16342	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49437	0.4
55.01855	0.9
55.18311	0.4
63.02363	0.7
64.39971	0.4
69.44852	0.4
70.06573	0.7
71.48709	0.4
72.34048	0.4
73.90768	0.4
78.78540	0.4
81.07041	0.5
83.06108	5.8
84.04517	2.1
85.02849	0.5
86.09666	0.4
86.64001	0.4
89.03919	7.9
91.05473	2.0
92.75717	0.5
95.04970	0.8
100.95543	0.4
101.07126	1.6
103.05460	1.7
105.03404	0.8
105.07019	0.9
106.04159	0.8
115.05426	0.6
117.03384	25.9
122.06036	0.4
123.04418	1.2
128.06190	0.5
129.05615	0.9
129.06601	16.8
130.04984	0.9
131.04962	1.2
133.02846	1.5
134.03676	2.6
135.04405	2.0
137.05965	1.7
141.06963	0.6
145.02847	60.0
146.05948	0.7
147.04393	1.4
147.07680	1.4
149.05975	9.1
155.08444	0.5
158.05869	0.4
158.44118	0.4
160.16789	0.4
160.47798	0.4
161.02347	0.8
161.05986	2.7
162.03105	0.5
163.03938	3.0
165.07016	6.1
173.02362	1.2
175.07596	0.6
176.06090	0.6
177.05475	100.0
178.05925	1.2
181.06648	0.5
183.08115	1.0
186.05458	0.6
187.03879	0.7
187.07521	0.7
191.08369	0.7
193.06483	4.3
197.05936	1.1
199.07584	1.1
201.09128	1.3
202.07806	2.3
203.08580	4.8
205.06529	1.9
211.07559	1.5
219.08121	1.5
220.08820	2.0
221.06000	11.9
221.07994	0.8
225.05409	0.7
226.06255	0.6
231.08101	5.4
232.08778	0.9
233.06017	1.0
237.09172	0.7
239.07033	3.2
241.08655	0.6
247.07556	1.2
248.08327	5.8
249.05466	13.2
249.09338	0.5
250.06102	1.8
251.07129	1.0
252.97812	0.6
253.05197	0.8
259.07513	2.5
260.08505	1.2
261.09079	0.6
263.10675	4.8
264.07648	0.5
265.08615	1.2
267.06497	3.9
269.08289	0.7
276.07916	3.3
277.04996	9.1
277.08533	2.1
278.05780	1.1
279.06543	1.2
280.10767	0.8
290.09570	0.6
291.10178	12.0
292.10895	1.4
293.08139	2.4
295.06052	13.8
295.09384	1.2
295.13293	0.5
305.04474	2.0
305.11420	2.2
307.09668	0.5
308.10477	1.9
323.05566	28.4
323.09058	2.6
323.12802	17.6
323.16534	0.9
324.05966	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91685	4.6
61.70412	4.8
64.65423	4.9
67.94838	4.6
71.48219	6.9
94.93016	46.7
95.55428	4.6
112.89604	22.2
161.99522	10.4
193.59821	5.0
203.03960	5.2
206.88617	14.8
241.53580	5.4
248.89685	86.3
323.07425	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.1
69.48317	1.6
70.06577	2.0
71.48195	3.0
78.80687	1.5
79.05485	2.4
81.03413	1.6
84.04502	1.8
84.08125	2.0
85.02909	1.6
89.03908	2.5
91.05479	14.8
97.02889	4.9
98.97572	5.6
99.00832	2.1
105.07046	2.2
107.04952	4.1
115.05458	3.6
116.06231	1.8
116.98615	3.4
117.03384	5.9
117.06992	4.7
119.04956	3.3
119.08553	12.6
123.04507	1.9
128.06190	2.0
129.06935	4.7
131.08571	5.3
132.05721	5.1
133.06473	1.7
137.05992	3.0
144.05702	5.6
145.02846	17.2
145.06505	5.1
147.04402	5.6
147.08049	55.0
149.05978	2.9
159.04340	1.5
159.08058	10.6
161.05992	3.2
163.03908	6.1
165.07024	3.4
169.06419	1.7
173.06058	3.1
176.04657	1.7
177.00716	2.9
177.05495	24.3
185.06041	2.0
185.25742	1.5
187.07521	11.9
187.39621	1.5
193.06482	2.8
205.08597	3.8
207.06516	3.0
215.07030	12.6
221.05977	2.5
231.08308	2.2
233.08087	100.0
242.98383	1.8
248.08366	3.4
249.05453	6.0
252.97989	2.5
261.07648	2.4
267.06320	2.2
277.04544	2.9
277.07162	42.3
291.10126	6.8
295.06055	5.4
323.05222	11.1
323.12320	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	323.0551
Annotation	Pongamone D
Peak:m/z	Relative Intensity
52.64510	0.3
52.80266	0.3
55.01848	0.9
58.19329	0.3
67.05484	0.4
69.03398	0.4
70.06568	0.6
71.48172	0.5
75.59589	0.3
79.05453	0.4
81.03392	0.5
83.06070	0.4
84.04456	0.5
84.08150	0.3
86.09708	0.4
89.03922	2.2
89.42136	0.3
91.05442	1.1
95.04942	0.5
102.04686	0.4
103.05450	0.9
105.03392	1.6
105.07012	0.7
107.04942	0.8
115.05437	0.4
117.03384	3.3
117.06983	0.4
121.02836	0.8
123.04431	2.4
129.06631	1.3
131.04851	0.6
133.02847	2.9
133.06479	0.6
134.03583	1.2
135.04398	1.9
137.02316	0.9
137.05975	2.1
139.05379	0.4
140.70844	0.4
141.06946	1.0
145.02846	6.1
145.06564	0.3
146.05959	1.2
147.04391	1.2
149.02318	0.5
149.05966	1.4
150.03119	0.5
151.07549	0.4
152.06189	0.8
153.06966	1.4
155.08562	1.6
159.00832	1.1
159.04395	0.7
160.05243	0.3
161.02347	2.2
161.05997	2.4
162.03069	1.0
163.03923	8.3
163.05273	0.4
165.07002	19.7
168.05692	0.7
169.06467	1.4
171.08061	0.4
173.02322	2.2
175.03906	0.7
175.07562	0.7
176.06137	2.1
177.05458	8.8
177.06989	2.5
181.06511	0.8
183.08043	1.9
185.05904	0.3
187.03860	1.5
189.06900	0.4
191.08414	0.4
192.05708	0.8
192.09306	0.5
193.06471	11.9
194.07205	0.4
194.47475	0.3
195.08093	0.9
197.05962	2.2
197.34796	0.3
199.07520	1.0
201.09103	1.1
202.07768	1.9
203.04999	1.6
203.08559	5.3
203.50703	0.3
205.06464	4.3
206.07129	0.5
207.04471	0.5
209.06021	0.4
210.06787	1.1
211.07545	4.9
213.05447	0.3
219.08122	1.6
220.05220	0.7
220.08876	2.4
221.05977	38.1
222.06602	1.2
223.07613	1.6
225.05499	2.7
226.06233	0.4
227.06963	0.3
230.07225	0.5
231.04404	1.1
231.08034	6.2
232.04878	0.3
232.08890	1.6
233.05994	3.4
234.06744	0.8
234.96907	2.1
235.04037	0.4
235.07483	0.3
235.11230	0.3
237.05516	0.6
237.09151	0.9
238.06248	0.6
239.03456	0.4
239.07034	10.8
241.08694	0.8
245.09505	0.6
247.07495	1.4
248.04648	0.5
248.05522	0.4
248.08313	7.3
249.05475	42.9
250.06198	2.9
251.07050	1.5
252.97929	2.2
253.05040	1.5
259.03931	1.3
259.07559	3.1
260.08304	1.2
261.05563	1.8
262.06284	0.7
262.09961	0.5
263.07541	0.5
263.10669	5.7
265.08585	1.8
266.05750	1.9
267.06528	10.2
269.08243	0.5
276.07837	4.5
277.04968	26.8
277.08484	2.1
278.05746	1.7
279.06543	5.8
280.10889	0.7
281.04520	1.0
281.11307	0.4
290.09317	0.3
291.06757	0.7
291.10141	15.0
292.10910	2.0
293.08060	3.2
294.05350	0.6
294.08832	0.6
295.06018	45.9
296.06311	0.7
305.04410	7.3
305.11679	1.6
307.09662	1.3
308.10342	1.7
323.05518	100.0
323.12750	20.8
324.05753	1.1
341.06430	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2011
Annotation	Croomine
Peak:m/z	Relative Intensity
50.59760	0.6
54.05099	0.6
55.01872	0.7
55.05498	1.4
57.07059	1.2
61.02934	5.3
69.07049	2.2
69.17751	1.7
69.18175	6.0
70.02919	0.6
70.06599	1.1
71.08629	0.9
72.08144	0.8
73.04800	0.7
79.05486	1.4
80.18507	0.6
80.32160	0.7
81.07040	1.5
87.04450	2.2
91.05492	3.7
93.07033	1.3
95.04955	0.8
95.08632	0.9
96.04517	0.8
97.06516	2.3
97.15519	0.7
103.05462	1.9
105.07012	2.5
107.04906	1.3
107.08575	1.7
115.05448	1.6
117.06999	3.2
119.04939	2.0
119.08566	1.6
121.06477	2.2
123.04414	2.1
126.12815	4.6
128.06195	1.1
128.73401	0.7
129.07028	3.4
131.04921	4.6
131.08601	1.4
132.08034	0.7
133.06529	3.7
135.08087	1.4
137.05998	5.0
141.06667	0.7
143.04855	1.2
143.08560	1.9
144.05719	0.9
145.06480	3.1
147.04417	7.0
149.05995	12.3
157.06483	2.9
157.10158	1.0
157.13412	1.0
159.08043	1.7
161.05991	14.0
163.07567	2.6
171.08087	1.7
171.11714	1.0
173.05983	2.5
175.07526	7.5
177.05424	1.6
179.07028	0.8
185.05960	1.5
185.09549	0.9
187.07448	1.3
188.08183	0.8
189.05515	1.4
189.09126	2.6
189.12830	1.0
191.07076	1.1
199.07643	1.2
199.11148	1.0
201.09180	1.1
203.06981	1.0
212.14340	0.8
216.17461	2.5
217.12305	1.7
219.13852	2.6
226.06128	0.8
231.13788	1.3
233.15373	2.3
243.13852	1.4
244.17070	2.8
245.15434	2.1
247.13348	1.7
255.13971	0.8
261.14841	2.2
263.10388	0.9
272.16345	4.2
273.14835	1.0
275.16452	1.1
276.15900	2.8
286.18027	1.5
290.17496	3.0
291.10181	0.9
304.15665	1.1
304.18909	5.5
318.20334	0.7
322.20126	100.0
323.12735	1.3
323.20468	1.5
338.81403	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1586
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07060	6.9
58.76951	6.8
62.00670	12.9
65.78197	5.8
67.05508	12.2
69.07077	8.9
70.78226	19.4
71.04988	6.5
73.06551	24.3
75.98582	33.4
81.07040	16.0
85.07680	38.6
93.07017	7.7
94.06574	40.2
104.05148	5.9
105.01205	11.7
106.06550	11.5
107.07355	9.9
111.02673	7.2
116.39402	7.5
118.03250	100.0
119.06031	12.8
138.03738	66.8
141.06592	49.3
141.13898	8.5
147.05862	12.2
147.88312	7.0
153.05469	12.7
157.13411	10.3
181.04338	11.4
182.02708	18.8
224.05267	6.5
266.09543	31.9
318.35345	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	322.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52391	2.2
55.05507	9.3
60.17121	2.1
63.85767	2.4
65.97196	2.6
67.05491	2.2
68.28737	2.2
69.07079	4.8
69.31901	20.9
70.06601	2.8
71.50014	2.3
72.08158	5.9
73.06554	22.1
79.05495	3.5
81.07052	7.2
91.05485	2.5
93.07044	4.1
94.06556	3.3
95.08630	4.4
97.06537	4.2
100.07619	100.0
103.70396	3.0
105.07045	3.1
107.70245	2.4
115.08680	2.9
118.08663	9.1
121.10223	2.4
132.04726	3.5
137.05991	6.0
141.06601	5.9
149.06001	3.0
157.13383	8.0
190.05049	2.8
200.20117	2.9
217.10191	3.3
276.12314	9.7
299.06271	2.2
322.15976	3.1
322.24203	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	322.1438
Annotation	Pyriproxyfen
Peak:m/z	Relative Intensity
51.02369	0.6
53.03950	1.1
69.54101	2.7
77.03940	0.6
78.03483	1.9
91.05482	0.9
95.04951	0.9
96.04501	100.0
100.07718	0.4
103.05429	0.6
105.04529	0.6
105.07044	1.7
107.04996	0.4
115.05491	0.8
119.04960	7.3
128.06267	1.0
129.07014	7.2
133.06522	1.7
134.07285	7.9
134.08208	0.7
136.07585	1.8
141.07025	1.6
157.06479	1.1
185.06000	14.0
199.07628	1.4
199.89142	0.4
209.09645	0.7
220.73654	0.4
227.10689	9.8
322.14462	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	322.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01579	0.3
51.02377	0.6
53.03945	1.4
55.01879	0.3
56.19906	0.2
69.93192	0.4
69.93580	0.6
77.03948	0.6
78.03448	2.7
79.05495	0.8
81.03407	0.2
91.05479	2.8
94.04185	0.3
95.04962	1.4
96.04492	100.0
99.43378	0.2
103.05458	0.5
105.04519	0.7
105.07030	7.3
106.07806	0.5
107.04950	1.1
113.91948	0.2
115.05470	1.8
117.07031	0.5
119.04943	11.0
121.06494	0.4
128.06209	1.3
129.07004	9.4
133.06496	4.7
133.07462	0.4
134.06216	0.2
134.07278	15.3
136.07578	18.8
141.06984	3.5
142.07751	0.3
143.08603	0.2
153.06999	0.5
155.06108	0.2
157.06494	1.5
157.81026	0.2
160.17943	0.2
165.05742	0.2
165.07007	0.4
166.07823	0.8
168.05751	0.2
169.06526	0.5
170.07286	0.8
171.08098	0.6
181.06485	1.1
181.10165	0.3
184.08899	0.3
185.05980	17.0
185.33539	0.2
186.06749	0.7
187.07590	0.4
191.08591	0.4
194.07304	1.0
197.06004	0.4
198.06747	0.4
199.07561	2.4
199.11223	0.6
209.09662	1.3
212.08258	0.4
227.10666	15.3
228.11009	0.4
322.14383	6.4
323.14709	0.2
327.23474	0.2
341.42700	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07064	0.6
62.56548	0.8
64.67843	0.7
64.97949	1.2
67.30753	0.6
70.83340	1.5
79.05501	4.8
80.97433	1.6
89.03950	0.9
91.05505	1.5
95.04977	1.1
95.39784	0.7
98.98470	56.9
106.06543	2.2
107.04958	13.8
109.00534	72.1
111.02071	1.2
114.96177	6.5
115.31643	0.7
118.57909	0.6
120.08120	0.9
121.01107	1.6
123.02665	22.1
123.04444	1.3
127.01576	6.0
134.06027	6.5
135.04422	44.1
136.05220	2.6
137.06003	1.6
139.02124	1.9
139.05177	1.4
141.00038	0.7
142.99278	2.1
149.00563	5.4
151.02136	100.0
152.02815	2.2
152.07053	3.0
161.01675	1.0
167.01642	23.0
168.02406	11.4
169.03195	19.5
169.04684	0.8
171.02438	2.5
177.10248	2.1
179.05263	1.0
185.14001	0.7
212.97682	1.4
214.08977	0.8
230.98833	3.2
231.08073	1.2
233.00287	1.4
248.99832	28.0
261.03427	0.9
277.02942	24.7
287.05054	4.8
291.10205	1.6
294.05737	1.3
304.66309	0.7
305.06079	56.0
322.08731	60.7
323.09100	1.0
323.12653	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.993
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	2.4
60.10349	0.4
69.97685	2.4
72.74886	0.4
98.20853	0.8
98.41925	0.5
98.97585	13.5
101.00893	1.7
116.98618	4.5
119.01909	1.7
120.56149	0.4
134.99677	1.0
140.98842	1.1
158.99886	3.1
177.00960	9.9
178.85745	0.5
178.94449	1.1
182.99826	2.9
196.95464	1.6
201.00926	14.0
202.94522	0.7
214.93324	0.6
214.96536	7.3
219.02011	100.0
220.02141	3.4
220.95393	2.1
221.02415	0.5
234.99939	0.6
236.99469	1.7
238.93089	0.8
238.96309	5.9
242.03563	4.0
256.93283	2.2
256.97601	35.8
257.97479	0.8
258.99850	1.2
262.96225	0.9
267.95609	0.8
274.94501	2.5
274.97845	1.1
279.98236	1.1
280.94333	0.7
280.97421	5.9
298.98172	60.6
299.50800	0.5
299.98395	2.0
316.95850	1.0
319.44037	1.7
321.99292	3.8
325.42380	0.7
325.92401	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	3.0
69.03410	2.4
69.07060	6.0
69.18472	17.6
71.04990	3.9
71.45110	1.7
79.05510	2.1
81.07049	4.3
85.06547	98.8
91.05473	3.7
93.07052	3.9
95.04964	2.2
95.08601	6.0
105.07060	8.3
107.08569	7.9
109.10104	4.2
117.07024	1.7
119.08612	8.1
120.12946	1.7
121.10159	5.1
123.11716	2.1
129.07004	3.2
131.08592	8.9
133.10162	13.7
135.11755	2.1
142.07771	2.2
143.08478	3.7
144.09357	7.2
145.10085	3.8
147.11655	4.7
157.10130	10.9
159.11703	100.0
165.09140	2.0
171.11703	3.9
173.13306	5.8
175.14784	2.0
177.12762	5.2
187.14757	2.7
199.14828	10.7
217.15880	45.3
235.16956	3.9
245.19121	2.1
264.59326	1.8
303.23145	6.9
321.24225	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	321.2425
Annotation	11,12-EET
Peak:m/z	Relative Intensity
55.01885	0.9
55.05518	4.9
57.03434	1.2
57.07079	1.0
67.05509	33.1
69.03422	1.4
69.07071	7.0
69.20696	7.3
71.05009	3.2
78.29951	0.6
79.05493	3.6
81.03421	0.8
81.07060	16.8
83.04993	0.9
83.08614	1.5
85.06542	0.9
87.00846	1.1
91.05478	3.3
93.07058	8.8
95.04969	6.7
95.08612	21.4
97.06551	1.5
97.10179	5.4
99.04452	1.9
99.08111	1.8
101.06010	1.0
105.07027	3.3
107.08604	7.1
109.10165	100.0
109.19714	0.7
111.11758	1.2
113.09697	1.3
117.07030	0.6
119.08570	5.4
121.10150	8.1
123.08052	1.1
123.11720	2.5
125.09618	0.9
131.08592	1.3
133.10149	1.8
134.50401	0.7
135.08060	1.4
135.11751	1.5
136.06210	0.6
137.00406	0.8
137.09622	25.1
137.13261	3.4
139.11249	4.0
145.10135	1.1
147.08069	2.9
147.11693	2.2
149.09589	0.9
149.13286	1.1
151.11185	1.6
153.12762	1.2
155.10674	11.8
159.11757	1.0
161.13251	1.8
161.94521	0.6
163.11188	0.8
163.14796	0.8
164.42772	0.8
165.09128	52.3
165.12827	2.3
166.19557	0.6
166.80086	0.7
171.11794	0.7
173.13246	0.9
175.11189	0.9
177.12738	1.4
179.10727	0.9
183.10165	4.7
187.14923	1.0
193.12245	1.3
199.07570	0.8
201.16423	0.8
203.18016	1.6
207.13766	1.1
243.21112	1.9
245.18974	0.8
261.22278	1.1
269.13651	0.8
274.48203	0.7
285.22202	1.8
303.16882	1.6
303.23251	9.5
303.26523	1.3
314.09509	0.7
321.24249	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2427
Annotation	3alpha-Hydroxyisoagatholal
Peak:m/z	Relative Intensity
55.05506	5.1
67.05501	9.1
69.07069	8.2
70.84545	2.4
70.84859	3.2
71.04985	5.2
79.05487	5.4
81.07056	9.6
83.05006	2.8
83.08660	1.8
85.06550	100.0
91.05494	3.3
93.07044	10.9
95.04963	3.5
95.08626	10.0
95.09154	2.2
97.06511	3.9
104.85585	2.0
105.07057	10.3
107.08600	10.0
109.10181	15.4
114.84354	1.7
117.06987	3.8
119.08611	11.9
120.73753	1.7
121.10139	6.6
123.11660	3.3
129.07021	2.4
131.08583	11.0
133.10158	15.2
135.11710	4.2
137.09593	2.6
143.08537	3.7
144.09349	5.1
145.10143	5.4
145.47612	1.9
147.11694	6.1
149.09616	2.4
149.13278	2.0
157.10152	10.0
159.11699	75.7
161.09583	2.1
161.13269	4.6
165.09123	7.8
171.00714	1.6
171.11717	4.3
173.13313	4.9
175.11186	1.8
175.14871	2.5
177.12711	4.0
179.10646	1.9
199.14799	11.5
201.16345	4.7
217.15895	39.8
219.17572	4.5
227.18062	3.2
235.16989	5.5
237.07666	1.8
245.19019	2.9
285.22150	5.4
303.23199	15.6
321.24396	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	321.2425
Annotation	11,12-EpETrE
Peak:m/z	Relative Intensity
53.03947	3.8
55.01862	2.1
55.05293	2.3
55.05518	18.5
57.03430	4.2
57.07068	6.7
59.04999	2.5
62.75776	2.2
67.05504	25.5
68.98672	2.3
69.03441	3.6
69.07069	23.5
70.21407	7.7
71.04998	29.7
79.05490	21.3
81.03412	3.8
81.06596	4.1
81.07059	53.2
83.04987	8.7
83.08635	12.1
85.06550	23.9
91.05485	19.7
93.07051	47.5
95.04958	6.8
95.08614	100.0
97.06541	29.2
97.10194	3.7
99.04431	4.1
99.08092	9.3
105.07038	42.2
107.08603	52.0
109.06499	8.1
109.10169	43.0
111.08083	9.5
113.09648	11.8
115.05452	3.3
117.07000	6.6
118.63402	2.3
119.08597	49.0
120.08102	4.2
121.06503	2.8
121.10143	31.4
123.04453	2.7
123.08070	19.1
123.11697	12.3
125.09622	11.2
127.11192	17.2
129.07004	5.0
131.08575	22.8
132.95859	2.3
133.10133	25.1
135.08035	8.0
135.11694	13.5
137.09624	16.8
137.13254	5.1
139.07565	2.5
139.11165	4.3
141.06982	3.1
141.09094	2.9
141.56956	2.3
142.07770	5.5
143.08554	11.8
144.09398	3.5
145.10138	31.8
147.08003	2.3
147.11687	20.6
149.09627	6.6
149.13274	13.6
151.11198	6.6
151.14839	2.9
153.09116	4.1
153.12706	3.4
155.08667	2.6
155.10693	9.8
155.14301	2.7
156.09352	7.4
157.10149	24.7
158.10919	3.4
159.08125	10.8
159.11700	43.2
161.05965	3.9
161.09586	3.4
161.13245	20.8
163.11230	10.5
163.14798	7.9
165.12762	9.8
167.14316	8.6
169.10106	3.6
170.10864	2.4
171.11710	14.3
171.88000	2.2
173.13284	25.6
175.11215	3.2
175.14848	19.4
177.09154	6.0
177.12737	8.3
179.14320	6.7
181.16055	2.8
183.11743	6.9
183.13724	3.9
184.12569	2.3
185.13290	8.6
187.07570	4.7
187.14842	13.7
189.12758	4.3
189.16408	5.3
191.14307	3.7
195.13818	3.2
197.13338	5.9
197.89362	2.2
199.14862	27.0
201.12823	3.4
201.16493	5.2
203.14291	4.0
205.08611	26.4
205.15930	4.2
211.14801	8.7
213.16467	5.4
215.07228	2.6
215.14355	3.0
215.17986	8.0
217.08714	3.1
217.15889	32.3
225.16394	5.6
227.17935	3.5
229.15941	4.6
235.17017	8.1
235.89111	2.5
241.19559	3.0
243.21179	3.7
245.18999	2.9
259.20615	4.6
267.21063	9.1
274.13834	5.9
275.09134	4.4
285.22195	28.9
303.17850	17.6
303.23132	25.9
306.08664	4.3
318.03168	2.8
321.03830	3.0
321.11517	11.0
321.18866	38.1
321.24274	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2424
Annotation	17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one
Peak:m/z	Relative Intensity
53.48880	6.9
55.05505	24.5
60.35040	6.2
67.05495	22.2
69.07056	30.8
71.04994	13.4
79.05481	22.7
81.07066	38.6
85.06533	13.2
91.05462	26.7
93.07048	29.0
95.04954	13.1
95.08625	39.3
97.06488	8.0
98.20731	16.4
99.04449	28.4
103.68149	6.9
105.07010	30.8
107.08591	26.0
109.06548	7.6
109.10136	37.7
119.08584	32.9
121.06503	20.3
121.10139	39.9
123.08047	8.9
123.11730	13.5
125.09638	7.7
131.08582	20.1
133.10117	29.9
135.11679	13.6
141.06493	6.9
145.10130	19.7
147.11678	20.4
157.10121	29.1
159.11673	24.9
161.13231	20.8
171.11636	12.3
173.09639	11.7
173.13316	12.4
175.11206	13.2
177.16403	17.1
185.13185	8.5
211.14685	9.0
217.19565	41.9
227.17917	100.0
229.15939	7.3
229.47298	6.9
235.20566	14.1
245.18944	10.0
267.20975	16.7
285.22125	38.8
303.23160	29.1
321.24515	12.7
344.86932	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	321.2426
Annotation	11S,12R-EpETrE
Peak:m/z	Relative Intensity
53.57665	2.4
55.01871	4.2
55.05507	16.5
56.79325	2.5
57.03437	5.9
57.07075	5.6
59.04991	3.2
67.05505	26.7
69.03419	8.5
69.07069	23.4
70.06584	2.2
71.04992	35.8
71.49355	3.4
73.89980	2.3
74.92796	2.4
79.05502	20.4
81.03416	6.2
81.07059	54.1
83.04990	12.3
83.08606	7.6
84.04504	2.3
85.06545	37.3
86.94864	2.7
91.05499	23.9
93.06478	3.8
93.07054	49.1
95.04949	3.2
95.08610	100.0
97.06538	34.3
97.10142	4.0
98.06873	2.5
99.04510	3.2
99.08094	8.8
103.05455	2.9
105.07035	47.0
107.08599	60.1
109.06508	8.4
109.09480	3.8
109.10157	39.3
111.08096	10.2
113.09652	11.7
114.91944	2.4
117.07018	12.2
119.08590	49.2
120.08123	5.5
121.06532	2.5
121.10138	37.0
123.04363	2.6
123.08068	18.8
123.11726	12.2
125.09641	13.8
127.11187	20.0
128.06195	5.9
129.06973	8.9
130.07787	3.6
131.08588	25.4
132.02818	2.5
132.95830	3.5
133.02856	3.7
133.10117	33.4
135.08069	16.4
135.11696	20.2
137.05948	6.6
137.09621	22.2
137.13249	5.6
138.09174	3.2
139.03993	3.7
139.07521	3.7
139.11185	2.7
141.09103	4.8
142.07751	6.0
143.08560	17.2
144.09268	2.7
145.06485	2.9
145.10110	36.1
147.06848	5.6
147.08035	4.6
147.11699	27.2
148.07143	5.5
149.09599	7.1
149.13251	16.3
151.11157	6.5
151.14806	3.4
153.07101	3.2
155.08498	6.2
155.10683	3.7
156.09377	5.9
157.10136	27.7
158.10822	3.6
159.08078	3.0
159.11711	43.2
161.05933	5.1
161.09596	4.9
161.13257	20.3
163.11179	11.5
163.14827	7.8
165.12735	11.4
167.14326	7.7
169.10071	6.0
170.10901	2.6
171.08076	2.9
171.11723	20.1
173.13284	22.9
174.96942	3.0
175.07600	3.4
175.11194	4.3
175.14844	19.2
177.05460	3.4
177.07758	5.0
177.12752	6.4
178.08250	3.8
179.03439	3.5
179.14388	7.8
183.11719	6.9
183.13802	4.1
185.13245	8.7
187.14839	13.2
189.09058	4.7
189.12708	3.5
189.16393	3.0
191.14334	2.7
193.12289	3.3
195.13907	4.3
197.10176	3.2
197.13261	6.3
199.07446	5.5
199.14857	30.7
201.12686	6.1
201.16376	4.6
203.14310	5.1
205.04977	3.0
205.15918	7.8
211.14888	13.2
213.16422	5.3
215.17955	9.8
217.05020	2.9
217.08580	5.0
217.15868	33.6
225.16507	5.0
227.17911	6.0
229.15784	4.8
231.17415	3.0
233.19051	5.1
235.09622	3.2
235.16975	8.9
243.21178	4.4
245.18982	5.2
259.15320	4.1
259.20633	3.1
261.15048	4.7
267.21036	11.0
274.13968	11.6
275.09164	5.8
285.22198	29.4
289.08731	2.7
292.14911	4.4
303.17905	37.1
303.23209	37.8
321.03958	3.5
321.10651	7.9
321.18878	76.6
321.24417	26.1
322.20093	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2066
Annotation	Testolate
Peak:m/z	Relative Intensity
54.44614	4.9
55.05520	13.2
56.32042	6.1
67.05511	20.7
69.07066	32.1
71.05001	5.4
71.48831	7.5
79.05489	27.3
81.07071	20.8
81.20471	6.0
83.05009	5.7
87.02003	5.2
91.05486	24.3
93.07065	27.1
95.04961	11.5
95.08627	21.4
96.99551	5.4
97.06536	6.3
105.07041	26.3
107.07363	9.5
107.08620	27.8
109.06538	8.5
109.10169	25.2
109.50112	5.3
117.07008	14.3
119.08589	30.0
121.10130	10.0
123.08098	5.7
123.11691	6.4
129.07018	6.5
131.08592	15.2
133.06520	8.0
133.10152	21.1
141.06580	65.4
143.08575	34.9
145.00122	5.6
145.10147	21.3
147.08054	16.2
147.11722	12.9
149.09618	8.6
155.08560	8.1
155.11829	6.1
157.10127	15.0
159.11725	20.4
161.09662	15.5
161.13312	6.2
168.06604	11.6
169.07001	10.4
169.10124	10.2
171.11662	9.3
175.07628	14.9
175.14742	8.1
177.09116	12.0
183.11700	17.7
185.13300	32.4
187.11198	13.4
189.09129	22.0
197.13258	5.5
199.14815	13.0
203.18011	8.6
211.14839	5.5
215.10695	7.3
215.18050	7.6
225.16406	5.5
227.14304	11.9
229.12257	16.5
229.16057	5.6
243.17477	24.4
245.15378	56.6
247.16968	6.3
257.19012	17.2
259.27197	7.7
267.17447	8.2
275.20047	34.6
285.18555	66.5
303.19592	100.0
321.16641	36.0
321.31030	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51855	2.1
56.96556	10.1
57.12376	1.9
57.96505	2.1
61.34781	2.0
70.02052	9.7
70.99854	5.0
76.13137	2.7
82.99847	13.7
91.02498	3.1
97.01413	5.1
98.97586	17.2
101.00891	81.9
107.57407	2.0
110.97557	3.5
113.00874	22.3
115.02443	21.7
116.98618	3.5
117.03944	2.0
119.01928	87.2
126.98737	4.9
128.98595	4.1
129.04019	4.3
130.86174	2.7
131.01912	29.2
133.03479	37.1
137.02957	8.3
137.05983	9.8
140.98602	16.2
143.01894	14.0
144.99797	4.4
145.03461	7.0
147.05107	2.7
149.02998	3.9
151.04623	2.3
155.01941	6.1
157.03476	5.2
158.99666	27.2
159.01424	4.6
161.03003	17.0
168.99815	25.8
169.05011	2.3
171.01378	15.3
173.02965	24.7
175.04544	4.3
177.00720	9.5
177.02393	3.6
183.01361	2.8
187.00902	43.2
189.02425	18.1
191.03976	13.5
196.99367	21.8
201.00711	18.3
201.02487	24.5
205.02031	12.2
215.00388	50.8
215.03761	2.6
217.01973	3.2
217.05527	4.7
219.01701	7.2
219.03526	23.4
221.02972	2.9
223.02873	8.6
229.01939	42.2
231.03577	6.2
233.01511	5.4
233.05104	29.7
247.03006	100.0
249.04524	6.3
261.04846	2.9
265.04089	10.8
279.05606	8.1
289.04135	13.9
321.06711	13.5
321.10596	7.5
340.01810	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	321.067
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	2.6
68.90009	0.8
69.96484	3.5
74.48431	0.7
82.99852	3.1
89.04518	0.7
90.98911	0.7
91.05480	0.9
94.99845	1.5
98.97584	1.9
101.00883	16.3
103.00623	1.2
113.00861	8.1
115.02451	1.9
119.01948	11.1
122.03503	0.8
125.00830	1.0
131.01920	13.1
133.03485	1.8
137.05954	4.5
141.05353	1.1
143.01897	6.7
149.02954	1.6
154.08623	1.3
155.01898	20.6
156.02014	0.9
157.03506	1.7
158.99629	1.9
159.01352	2.3
159.14848	0.8
161.02968	3.5
163.03905	0.9
167.01945	1.3
168.03957	1.4
168.99782	1.7
169.04843	1.1
171.01366	1.0
173.01436	1.4
173.02979	27.7
175.04578	1.0
177.00699	0.9
177.02446	2.0
183.01382	6.1
185.02986	5.9
187.00826	2.3
189.02400	1.6
191.02315	0.9
195.01556	1.1
196.99379	0.8
201.02458	91.2
202.02551	1.2
203.04033	1.7
205.01932	1.5
213.00542	1.2
213.02475	16.2
215.00337	2.4
219.03526	100.0
220.03632	2.0
221.02855	1.5
221.05087	1.0
223.02686	7.9
229.01974	2.0
231.03549	10.9
233.05063	1.6
235.06581	1.4
237.02527	1.1
237.04640	1.9
242.04965	1.1
247.03053	4.4
249.04515	8.1
261.04828	6.4
277.07898	1.0
279.05762	1.1
301.15186	0.9
304.09314	1.0
321.03363	1.2
321.06693	7.3
321.11969	1.3
321.20288	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.1859
Annotation	pyranonigrin I
Peak:m/z	Relative Intensity
50.49218	2.0
53.03949	3.2
54.56053	1.7
55.01865	2.2
55.05507	6.2
58.59288	1.7
60.92112	1.8
67.05251	1.6
67.05510	18.9
69.07047	8.4
70.06605	2.4
70.07435	2.0
71.04984	2.4
71.48827	3.3
73.06551	3.3
79.05500	24.3
81.03437	3.5
81.07070	13.3
82.07399	2.0
83.04984	2.1
85.06556	5.4
91.05460	13.2
93.07035	8.8
95.04961	3.7
95.08606	4.4
96.08141	38.9
97.06527	24.3
98.06857	3.9
103.05495	3.2
105.07046	10.9
106.06545	4.5
106.07353	3.1
107.04954	4.3
107.08593	5.7
109.10199	4.4
110.06815	1.9
111.08072	7.1
114.78051	1.9
117.07018	8.1
119.08592	80.7
121.06513	4.9
123.04363	2.7
123.07990	2.0
124.07571	3.2
128.06247	2.4
128.10742	21.4
129.07091	2.2
131.08556	11.7
133.06500	9.7
133.10118	6.8
142.07735	2.9
143.08539	11.3
145.10147	10.1
146.06041	3.1
147.06789	12.2
147.08057	23.3
147.11647	2.4
149.09647	2.3
155.08540	10.0
156.09377	2.1
157.10133	28.4
159.08002	6.5
159.11679	2.9
160.11189	2.1
161.09607	7.6
164.06970	2.6
165.07004	2.2
167.08582	7.4
169.10141	3.2
171.08058	3.4
171.11671	3.5
174.05464	2.8
176.07109	3.7
176.10690	6.8
177.07866	8.2
179.08560	14.0
180.09193	2.3
181.10103	9.7
183.11781	2.7
185.09607	6.4
194.10919	14.3
199.14835	11.6
200.07103	4.4
202.12271	2.8
204.10196	3.9
206.11674	2.6
207.11668	3.9
209.13297	25.6
221.05019	2.4
223.02495	4.5
223.04689	6.5
224.02679	9.4
227.14313	100.0
228.14606	2.2
229.10959	2.4
230.15530	2.3
242.15477	2.5
252.13873	5.3
258.14868	4.6
259.16956	18.0
270.14929	21.1
273.13568	15.3
274.10724	2.5
274.14236	2.3
276.05878	3.8
291.14603	7.5
302.07666	3.7
302.13867	20.6
302.17499	84.1
302.20996	2.7
303.22971	2.9
320.08432	38.2
320.14914	12.8
320.18558	90.0
320.22385	4.5
321.09137	2.4
321.19128	2.8
321.23764	3.0
338.09555	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	320.1495
Annotation	Deacetylbowdensine
Peak:m/z	Relative Intensity
55.01871	0.5
55.05518	0.7
56.96565	1.4
60.04541	0.6
67.05526	2.0
69.03434	1.0
69.07075	3.1
70.06597	0.5
70.42564	1.4
72.08149	0.5
79.05513	0.4
81.03431	0.5
81.07016	0.6
82.05347	0.4
83.04978	1.5
84.04501	0.5
84.08178	0.5
85.02903	1.5
86.09698	0.5
91.05073	0.4
91.05502	4.1
95.04963	0.6
97.02905	1.8
98.97591	1.8
110.09679	0.5
111.04467	0.5
112.02228	0.4
112.07606	1.3
113.31594	0.4
116.98646	0.9
119.04961	2.8
120.08128	0.6
122.09652	1.0
123.04424	1.5
123.08070	0.7
132.42944	0.4
135.04439	0.5
137.05991	10.1
137.41289	0.4
138.09160	1.5
140.07068	1.7
148.07562	1.3
157.01134	0.6
158.02748	0.6
158.08145	3.2
159.08069	0.5
163.03946	0.9
164.07086	0.7
165.05438	0.8
173.12914	1.0
175.07585	0.5
177.07805	0.4
180.06592	0.7
184.09721	1.9
190.08656	4.1
191.09436	0.6
192.10211	5.7
200.07394	0.4
200.09177	1.0
201.07849	1.7
202.08669	3.1
203.09314	0.9
204.02119	0.4
204.10228	9.7
205.10930	0.5
206.11780	5.1
210.96913	0.5
214.08704	0.9
215.09413	0.6
216.10181	1.2
221.02994	1.8
222.03191	6.2
223.02852	0.5
226.08636	0.4
228.10234	0.8
229.08900	0.6
229.11002	1.7
230.11797	2.3
232.09666	1.9
240.04250	1.0
244.13377	0.5
248.04745	1.9
255.01889	2.3
256.13309	0.7
258.14960	0.8
272.09335	1.0
272.12836	1.7
273.02890	1.0
274.10788	1.4
274.14407	6.9
275.10400	0.4
276.04141	0.5
276.16019	0.7
284.12854	2.7
290.10251	0.4
302.02148	0.4
302.13901	21.1
320.14944	100.0
321.15204	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2268
Annotation	(plusmn)15-HEPE
Peak:m/z	Relative Intensity
53.03961	1.8
55.01853	2.3
55.05497	7.2
57.03438	2.5
57.07074	2.0
67.05241	1.6
67.05511	15.9
69.03423	2.4
69.07064	22.3
69.70287	7.3
69.70692	3.9
71.04995	20.1
71.08649	2.1
79.05501	11.6
81.07066	20.1
83.04967	5.3
83.08604	4.5
85.02891	4.1
85.06555	17.2
91.05489	12.7
93.07047	23.4
95.04951	7.0
95.08612	19.4
97.06522	6.5
99.04453	7.6
101.06030	1.7
103.05429	2.1
104.42986	2.0
105.07030	38.1
107.04934	3.9
107.08590	20.3
109.06516	5.1
109.10163	21.5
111.08133	3.3
113.05986	7.4
117.07014	8.1
119.08598	27.0
120.46722	2.2
121.06485	6.6
121.10149	51.8
121.10949	1.9
123.08088	6.8
123.11707	10.0
128.06223	2.9
129.06993	4.5
130.07700	1.7
131.08572	16.7
133.06502	2.6
133.10135	19.2
135.08052	10.8
135.11697	9.0
137.09612	3.8
139.11185	13.9
141.06862	2.2
142.07745	2.2
143.08560	11.2
145.06512	2.4
145.09070	2.8
145.10141	39.1
147.08107	9.2
147.11716	13.4
149.09615	11.5
155.08511	3.5
156.09259	2.5
157.10130	18.7
158.10898	4.3
159.08072	3.9
159.11719	18.7
161.09583	11.0
161.13275	12.2
163.11160	10.0
169.10127	13.2
170.10857	3.1
171.11693	11.1
172.08751	1.9
173.09634	11.2
173.13252	18.7
174.10384	2.1
175.11238	10.2
175.14857	8.4
177.12816	2.2
179.14217	2.4
183.11719	14.9
185.13245	25.7
187.11211	9.4
187.14810	6.5
189.12755	4.2
191.10699	8.9
191.14331	18.1
193.12195	2.9
195.11697	4.5
197.13210	2.7
199.11295	1.9
199.14810	8.4
201.12752	4.9
201.14705	2.1
201.16370	10.5
203.14313	25.5
205.12230	4.0
209.13261	3.0
210.13959	2.6
211.14894	2.2
213.12749	5.7
213.16412	7.3
214.13454	3.6
215.14302	2.7
215.17934	15.3
217.15811	3.8
219.17406	3.2
221.13246	1.9
223.14870	2.2
225.16380	16.4
227.14366	7.3
229.15889	2.5
231.13907	2.8
231.17513	5.1
241.19569	3.5
243.17458	58.3
245.15439	2.6
255.21060	6.8
257.19110	3.5
257.26611	4.0
259.20609	2.7
261.18527	76.7
263.68051	1.8
265.19635	3.6
273.22070	18.0
283.20602	34.8
301.21619	100.0
302.35666	2.0
319.22693	97.2
319.30255	15.4
320.22662	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	319.2266
Annotation	12(S)-HEPE
Peak:m/z	Relative Intensity
53.03943	4.6
55.01871	4.2
55.05515	21.9
55.15847	3.5
57.03430	3.9
57.07062	10.3
60.60778	3.0
60.64135	3.4
67.05508	29.8
69.07072	18.3
71.04973	13.5
71.08634	100.0
79.05489	35.8
81.03443	4.5
81.07050	41.0
83.04993	16.1
85.06535	12.0
88.07657	3.5
89.99523	3.3
90.38974	3.5
91.05476	60.6
93.07041	41.5
95.04973	9.2
95.08598	26.5
97.06522	7.4
98.20710	6.1
99.04462	4.1
99.07491	6.1
99.08098	74.1
105.07024	50.6
107.04956	8.4
107.08605	37.5
109.06513	7.3
109.10152	13.4
111.08157	4.6
117.07006	40.0
118.81258	3.2
119.08587	80.4
121.06479	9.4
121.10155	13.6
123.08039	10.6
123.11693	15.0
128.06296	5.7
129.07022	17.1
131.08569	29.6
133.06439	5.0
133.10126	49.1
135.08083	8.1
135.11699	42.1
137.09593	5.6
141.06981	15.4
141.12761	8.9
143.08553	31.7
145.06538	5.3
145.10127	37.1
147.08073	7.6
147.11696	9.8
149.09607	5.8
149.50256	3.6
151.11162	24.2
153.12720	4.6
155.08566	7.2
157.10130	15.5
159.11667	17.6
161.09647	13.3
161.13260	7.7
163.11165	4.8
169.10146	27.3
171.11699	8.4
173.13231	4.1
175.11230	4.1
175.14828	59.5
179.14262	7.5
185.09700	4.1
185.13246	29.9
187.11206	35.3
187.14795	6.9
189.12807	6.1
191.14264	5.9
193.15903	15.2
195.11774	6.4
199.11176	4.3
199.14871	6.8
201.12881	3.4
203.10719	3.4
203.14397	22.6
205.12247	39.3
217.15779	21.8
225.16222	5.3
229.24825	4.1
239.17859	4.2
241.19560	4.5
243.17444	4.0
255.21172	4.3
257.19058	7.9
257.26712	5.1
261.18631	9.5
262.14398	4.0
263.14700	27.0
265.19489	5.2
275.20389	3.4
283.20477	13.4
301.21597	36.2
319.19708	3.4
319.22720	37.4
319.30283	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	319.227
Annotation	11R-HEPE
Peak:m/z	Relative Intensity
51.30114	4.6
53.03944	11.2
55.01872	33.7
55.05514	31.6
57.07082	16.7
65.03966	5.3
67.05513	59.6
69.07073	53.2
70.08290	18.2
71.05002	13.8
71.08634	64.4
79.05499	70.5
81.07058	59.6
83.04990	18.4
83.08623	15.0
85.06569	14.4
85.10173	10.8
85.29380	5.1
86.26429	4.8
87.04460	7.1
88.07650	5.3
91.05486	100.0
93.07056	64.3
95.04964	16.7
95.08627	42.8
97.06557	15.2
99.08101	43.0
101.06065	4.9
105.07038	66.2
107.04985	17.3
107.08598	21.4
109.06519	10.2
109.10174	14.3
111.08109	6.9
113.09648	10.6
114.44295	4.8
117.07030	61.1
119.08602	45.3
121.06541	20.7
121.10159	23.5
123.08105	13.5
123.11765	7.5
128.06235	10.4
129.07010	50.7
131.08577	46.8
133.06479	6.9
133.10144	18.5
135.08073	16.8
135.11703	11.5
137.05975	9.3
139.11160	22.0
139.99974	4.7
141.07008	15.3
141.12758	25.0
143.08588	46.0
145.10147	51.4
147.08073	13.9
147.11710	17.2
149.06001	7.4
149.09621	6.3
151.11273	6.8
155.08577	17.0
157.10147	25.6
159.11687	16.7
161.09625	14.9
161.13326	12.0
163.11275	7.4
163.14870	8.0
167.08566	11.8
169.10141	31.3
171.11728	20.2
173.09669	7.2
173.13254	7.2
175.11221	12.8
181.10085	7.8
183.11696	10.4
185.09700	5.3
185.13289	21.3
187.11214	20.9
187.14725	6.4
189.12727	11.0
189.16582	7.7
191.03407	8.7
191.14380	9.7
195.11758	9.5
199.11154	13.3
201.12767	6.7
203.14224	26.9
205.05077	10.6
205.12239	29.7
213.12788	7.1
217.12323	6.2
217.15906	18.9
231.74184	5.9
239.18036	10.7
241.19579	10.9
255.21080	6.4
257.27090	5.4
259.20294	5.6
265.19553	8.4
271.28455	10.5
273.22083	11.1
275.12787	14.7
283.20651	35.8
301.21616	71.4
319.22653	67.3
319.26193	7.2
319.30267	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	319.0816
Annotation	Drimiopsin A
Peak:m/z	Relative Intensity
52.59302	0.6
54.35283	0.5
55.01882	4.5
55.05495	0.7
57.07077	0.7
61.38519	0.5
67.05500	2.0
69.07073	35.1
79.05492	4.9
81.07076	3.8
91.05463	1.4
93.07041	1.1
95.08601	2.0
97.06544	15.8
98.20737	2.1
105.07040	1.1
105.68150	0.6
107.08626	3.3
109.10146	2.0
119.08581	2.2
121.02880	17.0
121.10118	1.8
123.08068	0.6
123.11716	5.8
123.54054	0.5
133.10120	0.7
135.08057	1.1
135.11684	0.6
137.09581	0.5
143.08583	0.6
145.10101	1.0
177.01883	3.9
205.01338	20.2
222.01634	1.3
223.02394	100.0
224.02731	1.3
271.02133	0.7
283.20764	0.9
301.07095	13.9
301.21585	1.4
319.08151	84.2
319.22745	2.1
320.08594	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0813
Annotation	Drimiopsin A
Peak:m/z	Relative Intensity
53.03938	1.6
53.52820	0.7
54.98452	0.6
55.01864	2.4
55.05503	1.7
65.03919	0.9
67.00805	0.7
67.05508	4.1
69.03421	1.1
69.07070	17.6
69.38091	2.4
69.38522	3.2
70.08317	0.7
79.05072	1.0
79.05502	14.5
81.07044	2.5
91.05463	1.0
93.07006	1.5
95.04926	0.8
95.08614	2.1
97.06535	89.5
98.21581	1.5
105.03452	1.1
105.07027	1.8
107.04946	0.7
107.08577	1.9
109.10110	2.1
119.08560	0.9
120.02056	1.0
121.02872	15.7
121.10104	0.8
121.55182	0.7
131.08548	1.7
131.96072	0.8
133.10095	0.8
135.11732	1.0
143.08540	1.1
144.66385	0.7
145.10112	1.2
148.01534	1.7
149.09561	0.7
157.10092	1.1
157.12288	1.4
177.01840	2.6
201.16435	0.8
205.01320	13.4
205.08354	0.8
215.08826	1.1
222.01625	2.6
223.02385	100.0
224.02766	1.2
227.14284	0.7
237.05653	0.8
283.20206	1.0
301.07016	5.8
301.16431	2.2
301.21490	1.0
319.08130	72.2
319.22791	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.079
Annotation	Flustramine C
Peak:m/z	Relative Intensity
68.94891	14.6
71.48641	16.0
94.93001	34.2
101.00871	32.5
105.82779	16.8
110.41846	15.2
119.01851	16.7
143.01881	22.0
161.02974	24.5
171.05096	20.3
175.04604	20.5
196.20869	15.6
204.50372	17.7
213.03343	18.2
277.13187	31.2
291.09259	18.8
319.07745	100.0
319.13657	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0451
Annotation	Myricetin
Peak:m/z	Relative Intensity
51.86356	0.2
53.03943	0.2
55.01868	0.3
55.05504	0.3
61.02147	0.2
65.03932	0.6
67.01838	0.3
67.05497	0.6
68.99792	3.9
69.03418	0.6
70.65137	0.4
70.65452	0.2
71.05002	0.2
73.02868	0.2
73.51276	0.2
73.93645	0.2
79.01849	0.5
79.05491	0.6
81.03414	1.0
81.07070	1.4
83.05000	0.2
84.08084	0.2
91.05476	0.9
93.03407	0.4
93.07044	0.8
95.01349	0.2
95.08614	0.6
97.02887	0.6
97.06539	0.3
103.05479	0.2
105.03390	0.3
105.07040	1.0
107.01328	0.3
107.08608	1.3
109.02872	2.5
109.06523	0.2
109.10159	0.6
111.00808	4.2
111.04452	1.0
111.05545	0.3
115.05503	0.4
119.08578	0.6
121.02865	0.6
121.06509	0.6
121.10175	0.4
123.04412	0.4
123.08109	0.3
125.02402	0.6
125.06022	0.3
126.03141	0.3
127.03946	1.0
131.08577	0.3
133.02887	0.4
133.06494	0.3
133.10167	0.4
135.04361	0.3
137.02353	4.0
137.06006	0.6
137.09616	0.3
139.03928	0.4
139.64795	0.2
140.09465	0.3
143.08615	0.2
145.10133	0.5
147.04417	0.8
147.11682	0.4
149.02390	0.3
149.13295	0.3
153.01839	20.8
155.06065	0.3
159.11688	0.3
161.02316	0.3
161.05978	0.7
163.03906	0.6
165.01855	6.0
165.09096	0.4
166.02652	0.9
171.04411	0.9
173.13237	0.3
175.03903	0.4
177.05453	0.8
179.03398	2.4
183.02940	1.8
183.04398	0.4
183.10133	0.2
189.01913	0.2
189.05453	2.1
191.03282	0.3
193.01331	0.4
193.05002	0.3
194.02118	0.2
195.02898	1.3
199.03951	0.8
203.03357	1.5
207.02948	0.9
209.04376	0.3
215.36707	0.2
217.04976	8.5
219.02878	0.6
221.04497	0.6
227.03308	1.2
229.05043	0.4
231.02921	0.8
232.03674	0.6
235.02341	0.5
235.06059	0.7
239.01923	0.3
244.03625	0.6
245.04477	9.6
255.02957	1.1
263.05536	0.9
272.03204	0.5
273.03961	7.7
283.02386	0.2
290.04205	2.0
291.05099	0.3
301.03403	2.0
301.21664	0.6
319.04498	100.0
319.22754	0.7
320.04810	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0427
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44513	2.1
53.03939	2.5
53.41822	2.2
56.96571	2.7
58.51876	2.0
67.05524	2.8
67.08401	2.3
67.50380	2.2
69.07040	2.3
70.06596	4.0
71.48470	3.0
71.48836	3.2
79.05496	3.8
85.02924	5.4
89.03926	6.1
91.05476	4.9
95.04968	4.5
97.02876	2.6
107.04956	4.8
117.03387	10.1
124.07591	4.3
130.88237	2.1
135.04440	19.6
145.02869	9.9
157.01097	100.0
157.08603	8.7
163.03920	90.7
182.84358	2.3
185.02129	85.1
198.85466	2.4
203.01895	6.2
221.02971	71.7
221.05121	4.3
234.03204	2.2
239.04037	7.0
239.08109	3.4
242.08383	3.0
247.04593	15.2
257.09262	6.5
273.12527	3.2
275.03937	4.1
275.10251	10.3
277.13019	3.5
301.01935	5.6
301.12186	11.2
301.16266	9.7
319.04059	17.8
319.08057	5.6
319.13095	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1703
Annotation	4-Nitroestra-1,3,5(10)-triene-3,17beta-diol
Peak:m/z	Relative Intensity
53.03959	0.5
53.54616	0.4
53.63164	0.3
55.01855	0.4
56.05037	0.4
56.96574	0.6
67.05495	0.8
69.03395	0.9
69.07068	0.4
70.06580	1.2
71.04988	1.1
71.48334	0.7
72.08138	0.8
79.05489	3.7
80.05045	0.4
81.03413	0.4
81.07037	1.2
82.06580	0.6
83.04981	0.4
84.04497	0.6
85.02905	0.9
88.04013	0.6
91.05491	4.0
93.07028	0.7
94.06594	0.9
95.04967	1.5
96.08140	6.1
97.06534	0.9
98.09654	1.0
105.03378	1.1
105.07050	1.9
107.04970	3.2
107.08594	0.4
109.04002	0.8
109.64776	0.3
110.06017	0.8
113.09647	0.7
115.05470	3.6
117.07031	8.1
119.04948	2.3
119.08588	0.8
120.08154	0.5
121.06419	0.4
123.04433	6.5
124.07599	1.4
127.05022	0.7
128.05370	0.6
128.06209	0.8
129.06999	2.7
131.08551	0.7
133.02887	0.6
133.06447	0.4
133.10117	0.5
135.08105	0.7
136.11223	0.8
137.05983	14.5
138.05478	1.2
138.09160	1.3
139.07480	0.4
141.06995	1.3
143.04889	0.6
143.08557	2.4
145.06490	9.8
146.06026	1.0
150.12791	1.2
153.06982	0.6
154.06560	0.5
154.08589	1.6
155.04951	0.6
155.08380	2.2
156.06583	0.5
156.08446	1.0
156.10222	7.2
157.06505	1.0
158.09685	0.8
159.07991	0.6
161.09692	0.5
165.05484	2.8
165.07007	1.2
167.08669	0.9
169.06502	1.1
169.10144	0.5
171.04411	4.7
171.08018	4.9
173.05988	1.8
178.07800	0.6
179.08549	1.5
180.09404	0.7
181.06627	0.8
181.10104	0.6
183.08090	1.5
183.11633	0.5
186.09132	1.7
188.12758	0.4
189.05424	2.0
190.07916	0.7
191.08560	0.6
192.09299	1.6
195.08134	0.9
195.11690	1.4
197.05965	4.0
197.13251	1.8
202.08592	0.6
205.10164	1.2
207.11725	2.4
214.08636	26.6
215.09123	0.6
221.03101	0.7
223.11203	2.2
225.12807	1.3
226.06413	0.5
226.08543	0.7
232.09755	1.9
233.09544	0.8
240.13959	0.9
241.08604	1.3
250.12311	0.6
250.18015	2.6
251.10660	1.2
268.13339	18.4
268.19141	1.6
272.12860	1.1
282.20560	1.2
286.14554	0.9
300.15945	100.0
301.10547	0.6
301.16257	1.1
318.13477	2.8
318.16940	12.3
318.22772	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1701
Annotation	4-Nitroestra-1,3,5(10)-triene-3,17beta-diol
Peak:m/z	Relative Intensity
53.03956	0.6
56.09799	0.4
62.87920	0.5
62.92260	0.5
67.05508	2.5
69.07060	1.4
70.69199	1.0
70.69538	1.1
79.05511	2.8
81.07040	1.1
91.05495	1.3
94.06554	2.3
95.04955	0.6
96.08109	0.9
97.06554	2.9
105.07026	1.2
106.06532	0.6
107.04951	0.8
107.08576	0.6
109.06519	1.1
111.08097	0.7
115.05490	2.8
117.07026	16.6
118.04734	0.5
119.08574	0.9
119.93906	0.5
121.02950	0.7
122.06037	3.6
128.06241	2.6
129.06978	1.5
131.08591	2.2
133.06493	1.4
140.07109	3.8
143.08562	9.1
145.06490	4.5
155.08548	4.3
158.09669	1.8
159.08057	1.7
160.07622	0.9
165.07024	1.1
167.08586	0.7
169.10144	1.1
170.09602	1.0
171.08058	10.9
173.06027	4.1
179.08598	1.0
180.09370	1.7
183.11649	0.5
185.05989	0.8
186.09097	1.8
192.09283	0.6
195.11617	3.3
197.13318	2.1
198.09209	0.6
205.10109	1.0
212.14388	2.0
214.08643	67.8
215.08920	0.6
222.12654	0.7
223.02408	2.3
223.11191	1.0
225.12782	0.9
226.08638	2.3
235.09877	1.7
240.13777	2.7
250.12260	1.6
268.13345	42.3
274.18021	1.2
300.15961	100.0
301.16254	1.6
318.17081	0.8
318.21323	0.8
319.08234	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	318.1699
Annotation	4-Nitroestra-1,3,5(10)-triene-3,17beta-diol
Peak:m/z	Relative Intensity
67.05505	2.7
69.07071	1.0
69.22388	3.6
69.22800	1.9
79.05519	1.3
79.43715	0.5
79.75575	0.5
81.03409	0.5
81.07031	1.2
91.05477	1.5
94.06564	2.1
96.08119	1.4
97.06523	1.5
98.21471	1.2
105.07038	0.6
106.06577	1.0
107.04966	0.9
107.08615	0.8
109.06525	0.9
115.05460	2.1
117.07020	16.8
118.07412	0.5
119.08567	1.4
122.06013	2.0
122.29105	0.5
128.06227	1.5
129.06996	1.9
131.08551	2.2
132.08087	0.7
133.06483	1.4
140.07108	3.1
143.08565	7.9
145.06479	5.1
147.36400	0.5
155.08546	3.5
158.09641	2.3
159.08037	1.8
160.07567	0.7
165.07002	1.3
169.10147	0.6
170.09625	1.0
171.08058	10.0
173.05981	4.3
179.08539	0.7
180.09302	1.3
181.10167	0.7
186.09151	1.9
195.11740	3.0
195.74333	0.7
197.13388	3.0
198.09206	0.7
205.10130	0.7
207.10237	0.8
212.14322	1.9
214.08640	65.7
215.08855	1.0
222.12776	1.3
223.02429	1.8
223.11194	1.4
225.12733	0.7
226.08611	3.2
228.39543	0.5
235.09891	2.2
240.13893	3.0
250.12308	2.0
268.13327	43.8
300.15952	100.0
301.16232	1.5
318.20883	0.7
319.08057	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	318.1701
Annotation	4-Nitroestra-1,3,5(10)-triene-3,17beta-diol
Peak:m/z	Relative Intensity
54.03457	0.5
62.92256	0.3
67.05499	2.6
69.07061	0.6
69.15749	0.3
69.97863	1.5
70.17551	0.3
79.05509	1.9
81.03408	0.5
81.07049	0.7
82.06602	0.5
91.05461	1.4
94.06565	2.0
95.04950	0.7
96.08128	1.2
97.06523	2.1
98.21468	0.4
105.03409	0.3
105.07014	0.8
107.04929	0.8
107.39989	0.3
109.06515	1.0
115.05469	2.1
117.07018	16.9
119.08564	0.6
121.02849	0.3
122.06041	2.3
128.06207	2.0
129.06995	1.6
131.08543	1.7
133.06494	1.6
134.05992	0.8
140.07074	3.4
141.07004	0.5
143.08566	8.5
144.08087	0.6
145.06488	5.5
147.08070	0.4
153.07042	0.4
155.08566	3.2
157.06473	0.4
158.09662	1.8
159.08081	2.2
160.07593	1.0
165.07016	1.4
166.07799	0.4
167.08574	0.7
168.79288	0.4
169.10139	1.1
170.09705	1.3
170.86696	0.4
171.04401	0.4
171.06674	0.7
171.08058	10.3
172.07550	0.5
173.05997	4.3
180.08011	0.5
180.09354	1.2
181.10143	0.7
183.11812	0.4
185.06035	0.4
186.09132	1.9
192.09322	0.4
193.10207	0.4
194.09666	0.5
195.11696	3.6
196.11211	0.4
197.13367	2.1
198.09171	0.4
205.01357	0.7
205.10120	0.6
207.10323	0.6
208.08888	0.5
212.14333	2.2
214.08638	67.9
215.08952	1.0
222.12794	1.5
223.02399	3.1
223.11205	0.8
225.12733	0.9
226.08603	3.1
232.11195	0.4
235.09929	2.2
240.13853	2.9
243.13887	0.5
250.12326	2.2
251.10680	0.6
253.11133	0.4
268.13339	44.0
269.13614	0.9
300.15955	100.0
301.16287	1.3
318.17014	0.6
319.08163	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.8
55.01846	0.5
55.05500	0.7
57.07081	0.8
62.72932	0.3
63.02400	0.3
67.05504	1.2
69.07059	0.5
70.06581	0.6
71.49029	0.4
74.02450	0.8
74.33426	0.3
79.05495	8.2
80.05019	0.8
81.07053	2.0
83.05000	0.4
88.07635	1.7
91.05481	2.7
93.07055	0.8
94.06584	0.7
95.04976	1.4
95.08646	0.5
96.08133	19.2
97.06522	0.9
103.05481	2.2
105.07037	25.1
107.08591	1.3
108.08109	0.5
109.06554	0.5
111.08083	2.9
115.05453	0.8
117.07018	2.3
119.04970	1.0
119.08593	4.4
120.05744	1.1
121.06531	0.3
121.10143	0.7
122.06031	4.8
123.08073	4.7
128.06227	0.4
128.10718	19.1
129.06984	0.9
131.08569	0.7
133.06500	100.0
134.06837	0.8
141.07086	0.5
143.08566	1.5
145.06491	0.4
145.10126	0.5
147.08054	1.0
151.69130	0.4
152.07033	0.4
154.08751	0.5
155.08582	2.0
155.75369	0.3
156.09448	0.7
157.10146	0.7
162.09167	1.1
165.09073	0.4
167.08586	0.8
169.10168	1.6
171.08069	0.7
171.11581	0.4
182.10957	1.1
183.11719	0.5
192.09294	0.6
195.07994	0.6
195.11659	0.5
197.13249	6.1
207.11717	0.8
210.10660	0.5
212.14328	0.8
214.08629	2.9
225.12758	7.6
240.13893	0.5
242.15416	0.5
257.15323	1.0
258.15005	0.9
268.13226	2.4
277.10968	0.4
286.14346	2.0
300.15930	4.9
300.19562	0.4
300.20459	0.4
318.17160	4.5
318.20978	0.7
318.30020	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	318.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73295	0.5
53.03945	0.7
55.01874	0.8
55.05489	0.7
56.96528	0.5
57.03437	1.1
57.09692	0.5
60.04512	0.7
61.02921	1.2
67.05490	1.0
68.04979	0.4
69.03423	5.5
69.07059	1.2
69.74523	0.8
69.74825	3.0
70.06582	1.3
71.05003	0.9
72.08137	0.8
73.02918	0.7
79.05478	1.1
81.03413	1.5
81.07037	0.8
82.06566	0.8
83.04975	0.7
85.02913	6.6
86.09715	2.8
87.04462	0.8
91.03933	0.7
91.05499	2.7
91.05945	0.5
93.07044	2.0
95.04951	0.9
95.08601	2.3
96.04512	3.1
96.08125	2.7
97.02899	3.1
97.05263	2.0
97.06519	1.4
98.21510	0.5
99.20868	0.5
100.07619	1.1
103.23710	0.6
105.07038	0.8
107.04951	0.8
107.08580	0.9
107.90286	0.5
109.02884	1.2
109.06502	0.7
110.06049	5.9
110.09677	3.7
111.08090	0.9
117.07045	0.8
119.04926	0.6
119.08597	0.9
120.08071	1.2
121.06494	1.0
123.03608	0.5
123.04374	2.8
125.08353	0.6
126.09156	9.9
127.03913	1.1
130.29236	0.4
133.06487	0.8
135.07965	0.6
137.05971	5.2
138.05554	2.6
138.09138	22.0
139.07545	1.3
145.04948	0.7
146.06042	0.7
152.10683	0.5
156.10197	100.0
157.01091	0.6
161.05908	0.6
163.03862	1.4
163.07486	0.8
165.05461	1.0
168.10197	1.0
171.08058	1.0
173.12869	1.8
180.10165	0.7
189.05542	0.7
198.11206	0.7
200.06998	0.7
212.06972	0.6
214.08647	4.3
221.02994	1.0
226.08623	0.6
232.09680	2.9
237.06056	0.5
250.18005	0.5
257.11575	0.6
268.13358	2.8
272.09409	0.5
272.12775	1.4
286.14386	1.7
300.12299	2.3
300.15936	10.2
318.09756	0.7
318.13336	2.1
318.16916	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	318.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
55.18700	0.6
56.96560	0.8
58.40236	0.6
67.05502	1.4
70.06590	1.2
71.47729	0.7
72.08094	0.6
73.14754	0.5
78.08064	0.5
79.05508	0.9
80.79362	0.6
81.07053	1.1
84.04502	1.7
84.08165	0.8
85.04831	0.6
86.09703	1.3
87.04435	0.6
91.05489	13.2
93.07065	0.6
95.04976	6.3
102.05556	0.8
107.08590	0.9
108.08974	0.7
109.06515	1.5
109.10149	2.0
110.10500	2.2
111.81550	0.5
117.06961	0.7
119.04960	10.1
121.06532	0.8
123.04445	46.0
137.05994	100.0
138.05519	2.9
138.06435	0.6
152.10725	1.1
153.11121	0.9
154.08646	27.5
155.08206	1.2
156.06558	2.2
156.08469	0.7
165.05501	11.9
170.11816	1.3
171.12123	0.8
188.12825	1.6
189.13190	2.5
214.08678	1.4
221.02904	0.7
241.08685	1.2
244.13344	0.6
255.14336	0.7
268.13406	1.2
272.12527	0.7
300.12576	1.4
300.16006	2.8
301.14697	0.8
318.13315	2.4
318.17325	2.3
325.03516	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2475
Annotation	Nootkastatin 1
Peak:m/z	Relative Intensity
51.10391	2.2
53.03960	2.9
55.05521	16.4
57.03430	2.3
57.07076	7.6
59.05000	4.1
59.33289	2.1
59.96066	2.3
66.87400	2.2
67.05505	43.2
69.07077	19.9
71.05009	2.7
71.08635	2.8
71.49573	3.3
73.06564	6.9
79.05498	26.5
79.35197	2.6
81.07056	41.8
83.04981	3.0
83.08630	5.3
85.06551	4.2
91.05485	88.3
93.07043	32.7
95.04968	4.0
95.08609	30.7
101.06046	2.4
105.07032	55.0
107.08601	18.3
109.10171	11.3
115.05457	3.6
117.07023	35.9
117.07782	3.8
119.08582	37.4
121.10154	12.1
123.11713	5.5
128.06190	5.6
129.07010	30.7
131.08574	53.4
133.10144	29.9
134.88676	2.6
135.08133	7.5
135.11702	3.0
137.13284	4.6
141.07019	19.3
143.08556	17.8
145.10126	40.3
147.08076	3.6
147.11711	8.0
149.09663	8.3
149.13248	3.0
151.11217	4.0
151.77829	2.3
155.08589	13.7
157.10175	11.4
159.08092	4.3
159.11711	22.9
161.09616	11.6
161.13281	13.1
163.14764	4.4
169.10135	29.1
171.11743	12.7
173.09669	7.8
173.13306	11.0
175.11192	5.6
175.14911	6.2
183.11700	19.6
185.13330	7.1
187.11237	12.4
187.14842	8.9
189.16402	5.6
197.13327	8.6
201.12744	19.2
201.16319	11.1
203.17952	4.1
211.14851	5.0
215.14426	6.8
215.17978	4.3
225.16275	3.2
229.15948	2.9
234.13451	2.3
239.17851	2.5
241.19640	7.1
243.21103	18.6
247.16879	5.0
250.89415	4.5
257.19055	8.1
257.22696	5.8
267.21112	21.0
281.31326	2.5
285.22125	43.4
317.24826	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2111
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
53.03939	4.4
55.01862	5.2
55.05505	20.2
57.07079	15.7
63.31662	3.3
63.59677	2.9
65.03955	2.9
67.05505	33.6
69.07064	21.5
70.06603	4.1
71.04997	5.7
71.08633	8.2
74.93719	4.0
79.05490	19.7
81.07051	37.5
83.04956	7.5
83.08613	10.2
85.06535	13.2
86.09700	7.5
88.07616	7.5
91.05486	26.7
92.09653	3.1
92.55443	3.6
93.07042	35.1
94.50954	3.9
95.04954	9.4
95.08598	50.0
97.02847	4.6
97.06528	15.2
97.10172	7.0
103.05465	3.5
104.10699	5.3
105.07041	37.4
106.08654	11.9
107.04958	4.6
107.08575	45.2
109.06524	7.0
109.10170	38.4
111.04449	24.6
111.08063	9.6
115.05443	3.7
117.07017	10.3
119.08589	58.8
121.06522	5.1
121.10148	30.3
123.08054	9.1
123.11689	11.3
129.06996	4.8
131.08585	15.6
133.10138	35.9
135.08049	9.8
135.11678	11.1
137.09619	25.3
141.06992	4.1
142.07835	3.3
143.08543	9.8
144.09308	3.8
145.10126	24.8
147.08034	4.3
147.11707	21.6
149.09567	5.2
149.13185	4.6
151.07512	4.6
151.11153	16.0
155.08514	5.8
156.51810	5.6
157.10130	12.1
159.08020	5.3
159.11682	20.1
161.09631	9.1
161.13263	14.9
163.11180	6.8
163.14798	14.5
165.09087	4.5
169.10118	9.3
170.10942	3.9
171.11684	9.4
171.30019	3.6
173.09651	5.0
173.13310	16.1
175.11223	7.3
175.14793	8.0
179.10570	5.3
183.11632	6.8
184.07266	3.8
185.09718	3.4
185.13203	8.9
187.11159	9.7
187.14778	5.4
193.12283	5.2
196.93005	5.6
197.13251	9.7
199.14862	10.2
201.12807	6.7
205.12323	3.5
205.15863	4.6
207.17540	4.6
211.11240	3.5
213.16429	5.4
214.94020	8.3
215.14346	4.9
215.17957	8.4
229.12170	6.2
239.17943	4.0
240.10040	4.5
243.13736	6.6
245.15309	3.5
253.19499	8.4
256.00241	13.0
257.18964	11.4
262.14340	16.2
271.20544	11.3
275.20120	17.5
275.63373	8.0
281.18979	7.3
299.20120	42.2
312.03091	3.5
314.03091	5.6
317.17447	6.4
317.21155	100.0
317.24652	9.9
317.28363	4.3
317.32217	3.2
318.30029	6.3
330.03958	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	317.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.2
55.01851	7.8
55.05514	19.6
55.93698	2.4
57.07077	14.5
59.05009	4.0
65.03941	3.3
67.05508	62.1
69.03424	4.7
69.07047	10.3
70.06609	17.5
70.16821	9.0
71.04982	3.3
71.08634	6.2
73.02921	2.8
79.05495	17.9
81.03413	3.2
81.07062	43.0
82.62769	3.3
83.04992	4.8
83.08598	3.9
85.02878	3.1
85.06525	3.9
87.04486	3.4
88.07641	24.7
91.05483	24.1
93.07067	29.8
95.04971	35.3
95.08604	28.9
97.06538	10.4
102.09163	10.6
102.23812	2.9
105.07037	31.1
107.04920	6.3
107.08591	54.0
108.05739	2.6
109.06541	24.3
109.10162	93.4
111.08072	3.7
117.07024	10.0
119.08593	65.6
120.59052	2.6
121.06526	6.4
121.10144	10.4
123.08095	33.5
128.06221	3.8
129.07021	6.9
131.08549	10.3
133.06482	9.1
133.10133	14.2
135.08041	10.4
135.11676	6.1
136.07578	7.7
137.05934	6.5
137.09630	85.2
143.08553	8.7
145.06421	5.8
145.10156	13.5
147.08083	9.2
147.11717	5.8
149.09602	7.2
151.07568	75.8
151.11089	4.0
152.10721	3.3
153.05463	8.0
155.08601	4.9
156.09335	5.1
157.10141	7.2
159.08083	5.9
159.11710	10.5
161.09592	10.4
161.13243	4.5
163.03905	5.3
163.07565	4.0
163.11090	3.8
164.07047	3.6
165.09074	9.3
169.10085	6.6
171.11699	11.5
173.09627	4.6
173.13292	4.2
175.11176	4.5
178.02696	4.9
179.03387	10.5
179.10730	3.5
181.08699	3.9
185.13242	2.9
187.11230	3.5
189.12761	33.2
191.03387	10.1
192.04153	10.0
197.13228	4.2
199.11153	5.0
199.14845	4.0
201.12772	5.6
203.03391	8.9
203.14351	6.5
205.12263	3.7
207.13742	26.0
211.59090	3.2
213.10106	4.1
215.14398	5.1
217.15863	3.4
218.63791	3.0
221.15323	4.8
233.15543	6.9
237.14911	6.6
243.13802	10.1
256.26404	31.6
261.14871	9.4
281.18994	8.1
285.08832	4.2
289.14368	15.5
299.20105	14.4
317.13907	51.3
317.21118	100.0
317.28592	6.8
318.30078	58.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2112
Annotation	all-trans-4-Hydroxyretinoic acid
Peak:m/z	Relative Intensity
53.03939	4.2
55.01863	4.6
55.05513	16.4
57.03424	2.3
57.07072	4.9
65.03937	5.9
66.16566	1.8
67.05503	41.6
69.03426	3.3
69.07064	15.4
71.05003	5.6
71.49459	3.5
75.66385	1.9
78.64367	1.8
79.05495	20.4
79.54608	1.8
80.17607	1.8
81.03432	2.5
81.07057	38.8
83.04964	7.2
83.08612	9.4
85.06540	13.5
88.07605	2.3
91.04917	2.9
91.05479	29.6
93.03393	2.0
93.07053	39.1
95.04977	10.8
95.08614	52.8
95.43530	2.3
96.13647	1.9
97.02898	4.5
97.06528	15.4
97.10177	4.6
99.08083	2.6
105.07032	47.7
105.07707	3.9
107.04974	4.9
107.08596	68.9
109.06532	9.6
109.10164	50.8
111.04439	27.8
111.08082	10.8
113.09622	2.4
115.05471	2.2
117.07004	17.3
119.08585	64.3
121.06515	7.6
121.10143	35.1
123.08087	14.6
123.11698	12.2
125.06019	3.1
125.09686	5.0
128.06300	2.7
129.07043	5.9
131.08568	18.9
133.06494	4.2
133.10136	48.6
135.08073	12.8
135.11688	13.6
137.06026	3.4
137.09602	30.2
139.11171	1.9
141.07037	5.1
142.07736	2.6
143.08549	13.9
145.10123	25.0
147.08072	5.3
147.11691	22.7
149.09656	5.1
149.13248	6.9
151.07590	2.7
151.11188	19.9
155.08607	7.6
156.47707	2.0
157.10129	20.4
159.08133	4.9
159.11685	23.2
159.12674	2.1
161.09619	7.5
161.13275	17.2
163.07695	2.6
163.11166	4.8
163.14832	25.7
165.09187	3.4
165.12759	3.5
167.10713	2.3
169.10149	8.5
171.11636	11.0
173.09654	6.8
173.13257	13.5
175.11214	7.6
175.14891	4.5
177.12759	3.2
179.10669	4.6
181.12271	4.4
183.11729	8.6
185.09641	6.9
185.13235	6.5
187.11211	13.2
187.14835	7.9
189.12752	4.9
189.16403	6.6
191.10728	4.2
191.14259	2.4
193.12337	3.6
194.64433	2.2
195.11783	2.6
197.13225	10.7
199.11281	3.8
199.14890	8.2
201.12738	7.9
201.16470	5.5
205.12291	6.0
205.15945	7.9
210.96571	2.3
211.11232	3.2
211.14862	6.7
213.16425	8.2
215.14412	6.5
215.17969	6.6
217.12335	3.6
219.13812	5.7
225.12833	2.5
225.16344	3.3
229.12292	8.7
229.15962	3.5
229.19516	5.8
231.13824	3.0
239.14365	3.8
239.18005	9.6
243.13966	6.7
243.17674	2.5
245.15379	3.4
247.16893	2.9
253.19640	7.3
255.17484	4.1
257.15448	4.3
257.19049	18.3
259.17004	3.0
265.06589	2.1
271.16934	2.5
271.20596	9.0
273.18524	4.4
275.20123	15.2
281.19043	10.8
289.21683	5.1
299.20068	52.8
299.23093	2.7
300.15848	2.5
317.17361	4.8
317.21185	100.0
317.24771	15.2
317.32544	4.2
318.30035	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	317.2115
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
53.03934	6.2
55.01851	7.8
55.05514	19.6
55.93698	2.4
57.07077	14.5
59.05009	4.0
65.03941	3.3
67.05508	62.1
69.03424	4.7
69.07047	10.3
70.06609	17.5
70.16821	9.0
71.04982	3.3
71.08634	6.2
73.02921	2.8
79.05495	17.9
81.03413	3.2
81.07062	43.0
82.62769	3.3
83.04992	4.8
83.08598	3.9
85.02878	3.1
85.06525	3.9
87.04486	3.4
88.07641	24.7
91.05483	24.1
93.07067	29.8
95.04971	35.3
95.08604	28.9
97.06538	10.4
102.09163	10.6
102.23812	2.9
105.07037	31.1
107.04920	6.3
107.08591	54.0
108.05739	2.6
109.06541	24.3
109.10162	93.4
111.08072	3.7
117.07024	10.0
119.08593	65.6
120.59052	2.6
121.06526	6.4
121.10144	10.4
123.08095	33.5
128.06221	3.8
129.07021	6.9
131.08549	10.3
133.06482	9.1
133.10133	14.2
135.08041	10.4
135.11676	6.1
136.07578	7.7
137.05934	6.5
137.09630	85.2
143.08553	8.7
145.06421	5.8
145.10156	13.5
147.08083	9.2
147.11717	5.8
149.09602	7.2
151.07568	75.8
151.11089	4.0
152.10721	3.3
153.05463	8.0
155.08601	4.9
156.09335	5.1
157.10141	7.2
159.08083	5.9
159.11710	10.5
161.09592	10.4
161.13243	4.5
163.03905	5.3
163.07565	4.0
163.11090	3.8
164.07047	3.6
165.09074	9.3
169.10085	6.6
171.11699	11.5
173.09627	4.6
173.13292	4.2
175.11176	4.5
178.02696	4.9
179.03387	10.5
179.10730	3.5
181.08699	3.9
185.13242	2.9
187.11230	3.5
189.12761	33.2
191.03387	10.1
192.04153	10.0
197.13228	4.2
199.11153	5.0
199.14845	4.0
201.12772	5.6
203.03391	8.9
203.14351	6.5
205.12263	3.7
207.13742	26.0
211.59090	3.2
213.10106	4.1
215.14398	5.1
217.15863	3.4
218.63791	3.0
221.15323	4.8
233.15543	6.9
237.14911	6.6
243.13802	10.1
256.26404	31.6
261.14871	9.4
281.18994	8.1
285.08832	4.2
289.14368	15.5
299.20105	14.4
317.13907	51.3
317.21118	100.0
317.28592	6.8
318.30078	58.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2113
Annotation	Topsentolide A1
Peak:m/z	Relative Intensity
53.03933	3.4
54.06067	0.8
55.01866	2.8
55.05515	8.5
57.03427	1.4
57.06832	1.0
57.07079	12.3
58.06603	1.9
59.04990	3.5
65.03959	1.5
66.71093	0.8
67.05507	33.1
69.03422	4.1
69.07070	5.0
69.36050	7.3
69.75987	0.8
70.06598	20.0
71.04982	2.7
71.08637	5.2
79.05489	8.8
81.03423	6.8
81.06597	1.3
81.07059	19.5
83.04993	2.0
83.08621	1.3
85.06543	1.8
85.10172	0.8
87.03931	1.4
87.04471	23.1
88.04794	6.5
88.07632	28.0
91.05482	15.2
93.07056	11.6
95.04971	17.8
95.08612	12.6
97.06536	5.0
99.04452	1.2
99.08078	1.0
102.09187	15.6
105.07025	13.6
107.04944	3.2
107.08591	24.4
109.06519	11.6
109.10161	53.7
111.08096	1.7
117.07037	4.3
119.04984	1.0
119.08584	31.5
121.06503	3.8
121.10143	6.3
123.04453	0.9
123.08067	13.6
123.11752	0.9
125.05981	1.8
129.07008	3.6
130.21452	0.9
131.08582	6.5
132.05763	1.0
133.06491	4.3
133.10107	6.3
135.08061	5.4
135.11682	1.5
137.06003	1.4
137.09622	49.9
139.07553	0.9
139.11134	1.2
141.07022	1.7
141.77399	0.9
142.07835	1.2
143.08554	4.4
145.09094	1.0
145.10106	5.2
146.53836	1.0
147.08025	6.0
147.11707	3.2
149.09599	2.7
150.11224	1.0
151.07544	31.3
151.11166	1.2
153.05435	3.2
153.09077	1.1
155.08533	2.6
156.09380	1.4
157.10121	3.1
159.08072	1.9
159.11687	2.3
161.09688	6.4
161.13303	1.7
163.07611	1.3
163.11145	2.4
165.09108	4.7
167.07141	1.6
168.09468	1.1
169.10144	3.2
171.07938	1.0
171.11725	4.4
173.09641	2.0
173.13303	2.7
175.11124	1.0
175.14880	1.0
177.09175	1.6
177.12811	2.2
181.08624	2.3
181.12270	1.4
183.11795	2.0
185.09654	1.1
185.13217	1.3
187.11334	1.3
189.12741	13.7
191.10745	1.5
191.14174	1.2
197.13316	1.9
199.11096	2.0
201.12653	1.6
203.14299	1.9
207.10048	1.2
207.13774	12.0
212.23732	1.7
213.12749	1.4
214.08704	0.9
215.14391	3.0
217.12178	1.2
219.13837	1.2
221.15329	2.6
223.14964	0.9
225.12857	1.8
231.13600	0.9
233.15398	2.1
237.14790	4.6
239.18129	1.3
243.13904	4.4
253.19464	1.2
256.26361	38.0
257.26672	11.0
261.14905	2.2
266.41025	0.9
271.20468	1.1
281.19003	2.9
299.20001	8.1
300.29050	2.0
317.21143	46.0
317.28799	29.3
318.30042	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2115
Annotation	Topsentolide A1
Peak:m/z	Relative Intensity
50.34902	0.7
51.46405	0.8
53.03939	1.6
55.01872	1.1
55.05514	4.6
57.06842	0.8
57.07083	9.5
58.06587	1.7
59.04991	2.1
67.05507	14.7
69.03425	1.7
69.07050	2.6
69.99162	3.9
70.06596	15.7
71.04987	1.1
71.08642	4.0
79.05507	5.0
81.03400	2.1
81.07059	11.2
83.04985	2.2
83.08613	1.0
85.02929	1.0
85.06534	1.9
85.10198	1.7
88.07100	1.4
88.07639	23.9
91.05482	8.1
93.07043	7.4
95.04980	6.8
95.08628	6.7
97.06522	3.3
98.08153	0.9
102.09188	14.3
105.07046	7.0
107.04942	2.3
107.08592	12.7
109.05930	0.6
109.06533	5.7
109.10169	22.0
117.07013	2.2
119.01754	0.8
119.08585	17.3
121.06503	1.8
121.10141	3.3
123.04424	0.9
123.08070	6.2
123.11725	0.8
125.05984	0.8
127.07618	0.8
128.06219	0.9
129.07040	1.3
131.08592	2.4
133.06517	1.1
133.10129	2.8
135.08038	3.3
137.09622	18.6
143.08525	1.7
145.10136	4.4
145.80103	0.8
147.08061	2.9
147.11716	2.2
149.09625	1.9
151.07553	17.3
153.05502	1.6
155.08536	2.1
156.09323	0.9
157.10136	1.6
159.11714	1.1
161.09613	4.2
161.13202	1.1
163.11261	1.6
165.09125	1.8
169.10138	1.2
171.11729	1.7
173.09657	1.2
173.13255	2.2
175.11191	1.2
177.09119	1.3
181.08659	1.5
187.11215	1.2
189.12781	7.4
197.13223	1.4
199.11191	1.4
201.12836	1.2
203.14360	1.4
207.10147	1.1
207.13812	6.3
212.23802	1.3
215.14238	1.4
223.14836	0.9
231.12062	0.8
233.15393	1.1
237.14917	2.4
243.13831	2.3
256.26373	41.1
281.19110	1.2
299.20068	4.8
300.29019	3.2
317.13687	2.9
317.17636	1.2
317.21170	22.2
317.28290	1.4
318.30051	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62828	0.7
55.01867	1.4
55.05503	3.5
56.05019	3.3
57.03419	3.5
58.06578	1.4
60.04511	2.1
67.05505	22.9
69.03394	0.9
69.07056	2.7
70.06588	4.0
70.08157	3.2
71.04987	2.0
72.04501	1.9
72.93768	1.0
74.91880	0.9
79.05489	7.6
81.07052	7.2
82.06571	2.4
83.06087	3.1
83.08609	1.9
84.04507	61.0
85.02900	2.1
91.05466	3.0
93.07053	8.1
95.04905	1.8
96.07018	0.7
97.06527	14.7
97.10159	1.4
98.21558	0.8
102.05537	2.3
105.07021	1.4
107.04956	1.1
107.08596	14.8
108.08128	3.8
109.03990	5.2
109.06515	2.5
109.10160	70.7
110.06046	6.8
110.09716	4.2
111.08066	2.6
117.06995	1.8
124.07548	1.5
124.11240	7.7
125.09631	5.2
127.05013	3.4
128.10725	3.7
129.06613	1.3
130.04997	8.7
131.08556	0.9
134.09656	7.9
135.08051	7.8
136.49757	0.8
137.05966	2.2
138.05417	0.9
142.40176	0.8
146.59468	0.9
152.10709	28.3
153.09146	6.2
155.08145	11.9
162.12799	1.8
170.11763	36.1
188.12823	100.0
189.13103	1.1
190.12273	8.8
208.13313	6.4
218.11790	2.4
235.02342	1.3
236.12877	7.1
253.15518	3.0
254.13882	20.4
299.15979	9.6
300.14413	18.5
317.13123	2.7
317.17065	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	317.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88326	2.3
61.02926	9.0
69.61483	15.3
85.02887	2.6
91.05464	2.7
94.92431	4.9
94.93018	61.2
98.97565	3.1
101.00912	5.4
119.01929	4.2
137.05989	11.8
138.06323	9.1
143.01840	5.9
155.01920	2.8
161.02927	3.9
163.03868	4.6
203.03697	2.8
205.04662	3.6
215.04085	2.7
254.98228	100.0
255.98479	3.2
258.05240	2.7
317.06619	3.4
317.14590	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	316.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.5
57.06832	0.5
57.07084	7.1
60.04520	0.4
67.05516	1.7
69.07071	1.2
69.14086	2.6
69.14503	0.9
69.62686	0.3
70.06597	21.6
71.08636	3.6
72.11998	0.3
81.07065	0.8
85.10183	1.9
88.07637	60.4
90.57853	0.3
93.07020	0.4
95.08615	2.4
98.20808	0.7
106.08675	100.0
109.10158	1.1
151.56920	0.3
250.89241	0.3
255.23204	16.6
274.01315	0.5
298.27469	2.6
316.28513	16.6
316.31885	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02570	0.4
55.37285	0.3
56.91031	0.4
57.07080	14.1
60.04497	0.5
60.14807	0.4
62.79746	0.4
67.05497	0.6
69.07034	0.6
70.06596	14.6
71.08633	7.3
71.49194	0.6
72.04497	0.5
79.05482	0.8
85.10172	3.0
87.04479	0.5
88.07632	23.9
91.05477	0.9
93.07045	0.5
95.08659	0.5
100.25517	0.4
102.09187	0.5
103.22161	0.4
105.07009	0.8
106.08672	27.5
114.09180	0.6
119.08608	1.0
158.68034	0.4
159.11726	0.5
173.13188	0.4
183.54105	0.4
254.28477	0.4
271.20645	0.6
298.31030	1.2
316.32104	100.0
317.21039	0.5
317.32532	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1545
Annotation	Stephaoxocanine
Peak:m/z	Relative Intensity
51.28650	0.7
53.03934	2.0
54.03497	0.8
55.05503	1.2
55.80866	0.8
67.05498	2.3
70.18597	3.2
71.04970	0.9
73.06538	1.6
79.05498	7.9
81.07038	3.5
91.05476	3.1
94.06570	6.3
95.04940	1.4
95.07343	2.2
96.08140	27.5
98.21568	0.8
103.05463	1.9
104.06255	1.6
105.03397	9.5
105.07014	4.4
107.04957	2.0
109.06493	1.1
111.08111	5.3
115.05462	37.3
116.06241	2.3
117.07021	3.1
117.54908	0.9
119.08488	0.9
122.06033	6.6
128.06230	1.4
128.10730	7.0
129.07033	4.1
131.04927	2.1
131.08597	1.3
133.06491	5.4
135.08011	0.9
141.07016	4.4
142.57335	0.8
143.04939	24.2
143.05971	1.1
143.08546	1.7
144.05698	1.7
144.08040	0.9
145.06494	3.3
153.06940	1.0
155.04964	1.0
155.08572	1.5
157.06512	4.0
159.04402	1.1
160.07597	0.8
161.05946	1.3
165.07007	4.5
166.07744	2.0
167.08557	2.4
169.06526	3.7
171.04419	40.9
171.08116	1.5
172.05185	3.9
178.07813	6.2
179.08521	2.1
180.09387	2.4
181.10152	1.7
183.08040	1.3
184.07576	2.0
185.06023	1.6
188.07072	2.8
189.05489	35.9
190.07710	1.2
193.10162	4.9
194.09573	1.1
195.08112	2.1
195.11725	4.6
196.07706	1.1
197.06023	2.1
200.07031	10.7
201.05371	1.0
202.08675	1.4
203.08531	1.6
205.10196	1.4
207.08133	1.0
208.08868	2.3
210.12816	2.7
212.05058	1.6
212.07066	25.5
213.07816	5.5
214.08618	4.6
220.11298	2.6
221.09674	8.3
223.11261	17.2
226.12511	1.0
230.08119	13.3
231.08008	0.9
238.08733	1.7
238.12209	5.0
239.10707	3.2
241.12273	3.9
248.10657	2.0
249.09085	5.6
251.09505	1.8
254.11794	2.8
255.13837	1.5
265.10934	1.3
266.11792	29.8
267.12579	7.9
283.12048	15.2
284.12827	14.3
286.14389	2.4
298.14401	100.0
299.14774	2.3
316.15451	68.5
317.15500	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01616	0.8
52.56274	0.9
54.79706	0.9
55.01875	1.8
55.05512	1.9
56.05046	4.3
57.03431	1.1
67.05192	1.4
67.05511	16.9
69.03403	0.9
69.07087	4.4
70.07394	1.0
71.49934	1.3
73.05327	0.8
79.05495	14.7
80.05026	1.5
80.05788	1.4
81.03385	1.1
81.07060	8.1
90.65821	0.9
91.05484	10.1
93.05785	0.9
93.07043	2.8
94.06535	1.1
95.04968	1.8
95.08601	2.1
96.07572	1.5
96.08130	16.2
97.05935	1.2
97.06539	21.7
98.06866	7.7
103.05493	7.3
104.02988	0.9
105.03345	1.2
105.07034	16.5
107.04948	2.5
107.08570	3.5
108.08132	12.5
109.06487	2.9
109.10105	1.2
111.08089	4.6
115.05415	3.7
117.07027	34.1
119.04901	1.2
119.08572	1.5
120.08843	0.9
120.79156	0.8
121.06476	1.1
122.98507	1.1
123.08058	3.3
128.06186	1.0
128.10741	5.6
129.07065	4.7
131.04909	3.7
131.08582	6.7
133.06512	14.0
135.08047	1.3
137.05937	1.6
140.10663	3.7
143.08572	10.2
145.06485	14.5
145.10118	2.2
146.09624	2.7
147.04402	1.8
147.06934	1.3
147.07997	5.7
148.07570	3.3
149.05925	2.8
153.06944	1.2
155.08568	5.5
156.09065	1.3
157.06458	5.6
157.10115	3.4
158.07217	3.3
159.04410	1.4
159.08031	7.4
160.07483	1.5
161.05974	8.3
163.07529	1.7
165.06989	9.7
166.07709	1.8
167.08546	3.8
169.10107	2.5
171.08055	7.2
171.11707	1.1
173.06050	1.9
174.09184	3.2
175.07545	6.7
176.07986	5.6
178.07776	2.9
179.08578	2.8
180.09364	12.1
181.10173	5.4
182.09616	1.6
183.11638	1.8
185.13223	3.1
187.07549	11.3
189.05521	2.4
189.09113	1.3
190.07759	2.2
193.10115	3.8
195.08057	9.0
195.11736	17.8
197.09598	1.8
198.10202	1.2
199.07509	1.6
201.09154	1.7
202.08797	3.2
205.10182	7.7
208.08849	10.8
210.12857	2.0
211.11154	2.3
213.12772	8.4
220.10593	1.7
223.11194	12.6
238.12280	3.0
238.24149	1.0
241.12248	83.3
242.12576	1.9
244.13907	1.0
255.13829	3.6
256.13293	8.4
266.11816	5.0
270.14896	5.9
271.13165	1.6
272.13641	9.1
273.14856	100.0
274.15317	1.7
284.12790	4.3
288.15894	11.9
298.15115	4.5
304.35873	0.9
305.14651	0.9
316.15588	33.6
316.19232	1.3
316.28333	1.3
317.17084	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1544
Annotation	Stephaoxocanine
Peak:m/z	Relative Intensity
53.03899	0.7
53.90165	0.6
54.94198	0.8
63.68388	0.6
66.27354	0.7
67.05447	2.2
69.19916	7.1
71.04943	0.9
73.06496	1.2
77.03848	0.7
79.05497	7.8
81.03387	0.8
81.06967	2.3
91.05403	2.9
93.06960	0.7
94.06571	5.6
95.04876	2.1
95.07291	0.9
96.08132	22.6
97.06470	1.2
98.89465	0.7
103.05389	2.8
104.06199	0.7
105.03382	10.1
105.04436	0.8
105.07023	3.6
107.04872	2.4
109.06448	0.8
110.05978	1.0
111.08099	3.6
113.44420	0.7
115.05454	34.6
115.94861	0.8
116.06286	4.1
117.06943	3.0
122.06029	4.8
128.06183	1.6
128.10715	7.0
129.07011	3.6
131.04868	1.4
131.08557	0.9
133.06511	5.5
137.05891	1.0
141.07039	3.6
143.04924	20.3
143.08536	1.3
144.05605	1.7
145.06454	3.5
152.06116	1.5
153.06931	1.6
154.06485	0.8
154.07632	1.2
155.08481	1.6
157.06490	4.6
159.08003	1.3
161.05913	0.8
164.40462	0.7
165.07005	4.4
167.08598	3.5
169.06468	4.1
171.04411	43.7
172.05139	3.2
172.07481	0.8
173.05930	1.1
178.07779	6.6
179.08536	2.5
180.09253	2.5
181.10049	2.6
183.04381	1.4
183.11597	1.1
184.07559	2.9
185.06012	1.1
187.07483	1.3
188.06985	1.6
189.05472	33.0
190.04948	0.9
191.08536	1.0
193.10115	4.4
194.07326	1.2
195.08070	3.7
195.11775	3.5
196.07539	1.7
197.06021	1.5
199.07481	1.0
200.07077	10.2
202.07767	1.2
203.08531	1.8
205.10170	1.2
206.07271	1.3
208.08812	2.0
209.09671	0.8
210.09117	1.3
210.12718	2.2
212.07074	23.8
212.34732	0.9
213.07796	6.2
214.06616	0.7
214.08530	4.2
220.11182	1.9
221.09628	6.7
223.11226	16.0
225.07797	1.6
230.08122	12.3
231.07848	1.2
234.06694	0.8
238.08630	1.1
238.12291	6.6
239.10641	2.5
241.12263	4.3
242.07999	1.2
248.10541	2.0
249.09204	4.0
251.09378	2.4
254.11710	4.1
266.11765	26.3
267.12488	6.9
283.12030	14.6
284.12805	11.3
285.13614	0.9
286.14465	2.2
298.14383	100.0
299.14819	1.2
302.03433	0.9
316.15445	66.2
317.06570	1.7
317.15588	1.6
339.16876	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.4
55.01871	0.6
56.96559	1.3
57.03423	0.8
61.02920	1.6
65.03930	0.6
69.03440	2.6
71.17529	0.5
73.02911	0.7
81.03416	1.3
81.07046	0.5
81.12763	0.4
85.02908	9.6
91.05482	16.4
97.02888	3.0
98.97568	0.5
99.04423	0.9
109.02895	0.7
109.06503	1.1
119.04939	12.1
127.03950	2.0
137.05978	100.0
139.14590	0.3
140.03899	0.4
145.04933	1.4
154.08627	18.3
163.03854	0.4
165.57985	0.3
193.29741	0.4
206.07072	1.3
221.01860	0.4
224.08086	1.0
245.02577	0.3
274.05847	0.6
298.12985	0.4
299.11340	0.5
316.10199	0.6
316.13815	3.9
334.10321	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.4
57.03431	0.9
61.02929	2.1
67.58223	0.3
69.03435	2.5
69.23731	0.3
69.48517	1.2
69.48947	1.6
73.02921	0.5
81.03414	0.8
85.02900	10.3
86.84933	0.4
87.04442	0.6
90.03777	0.5
91.03941	0.4
91.05482	15.9
93.00848	0.4
97.02891	2.9
99.04435	0.9
103.03923	0.6
105.07061	1.2
109.02894	0.5
109.06513	1.2
115.05464	0.9
116.55849	0.4
118.83464	0.4
119.04942	10.2
123.04337	0.5
127.03937	2.0
131.04930	0.8
133.06480	0.7
136.04274	0.5
136.06248	0.4
137.05978	100.0
138.06311	0.6
143.04965	0.6
145.04979	1.3
149.05936	1.9
151.07567	2.5
154.08633	18.5
161.06004	2.0
164.07065	1.7
175.07545	0.8
178.08621	3.4
179.07001	2.9
185.05972	0.7
191.06972	0.5
196.09662	1.1
199.07397	0.4
201.17012	0.4
203.06987	0.5
220.09644	0.5
244.12425	0.4
262.10773	0.6
280.11688	1.0
298.12759	1.1
316.07840	1.2
316.13913	20.6
317.06232	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.7
54.23143	0.4
55.01866	0.9
56.05032	0.5
56.96561	0.6
57.03425	1.3
59.04997	1.7
61.02910	1.5
69.03438	4.2
69.91767	2.2
70.06597	1.0
71.04981	1.3
71.92391	0.4
73.02907	0.5
78.03461	0.8
78.53519	0.4
79.05483	0.6
81.03442	2.3
84.08130	0.5
85.02909	14.6
86.09692	0.6
87.04479	1.2
87.18803	0.5
91.03941	0.8
91.05503	0.6
96.04498	100.0
97.02898	4.3
101.05991	0.9
105.07083	0.4
107.06879	0.5
109.02879	1.1
115.78762	0.5
127.03909	3.1
133.06499	0.6
136.07603	1.6
137.05962	0.9
145.04973	3.0
154.08643	54.9
188.00565	0.4
202.84538	0.6
257.03445	0.8
270.11371	1.8
298.16611	1.3
316.13998	2.5
316.17841	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1179
Annotation	Normelicopicine
Peak:m/z	Relative Intensity
51.25145	0.4
53.03946	1.2
56.05022	1.2
65.03927	2.4
67.05511	2.9
68.99799	2.2
70.06596	10.0
71.49064	0.8
74.06085	3.7
79.05489	1.5
82.06582	0.8
83.04975	0.8
86.09697	1.3
89.03907	2.2
91.05499	0.5
93.03407	3.7
95.04971	15.2
95.85281	0.4
103.05449	0.5
104.10747	0.4
107.04991	2.1
109.06555	0.4
110.06078	2.7
110.07157	0.4
111.04441	1.3
112.07603	1.6
116.07081	0.5
117.03386	6.3
121.02886	4.6
123.04440	2.5
126.05521	1.2
131.04948	1.6
135.04422	12.7
137.06004	1.0
138.05510	9.4
139.03893	3.8
143.04941	0.6
145.02858	10.4
145.03993	0.6
147.04396	0.8
152.07074	0.5
153.05511	0.8
154.08644	10.1
156.06519	0.7
161.05943	0.4
163.03908	100.0
164.04274	0.9
170.11746	1.0
177.05469	1.1
180.06596	3.8
186.09200	0.4
187.03883	1.9
197.09268	1.8
205.04979	6.4
207.08040	0.7
229.04874	0.5
235.07526	0.8
243.10297	0.8
247.06062	1.6
253.08684	0.6
270.11362	0.6
271.09686	1.0
273.11249	1.1
281.08051	0.5
298.10651	1.2
298.16489	0.9
299.09143	17.2
316.05630	1.0
316.11798	37.2
316.17914	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.0851
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78471	1.3
55.86993	1.5
56.05039	17.5
56.82703	1.2
56.96566	6.9
64.80144	1.3
65.03938	4.5
66.32954	1.6
69.03436	2.0
70.03293	6.5
70.06578	5.0
72.08145	5.1
73.01137	4.0
84.25069	1.4
84.96815	1.5
85.02927	2.9
87.33404	1.3
89.02373	1.6
89.03914	5.9
90.03782	85.4
91.05476	6.1
93.03423	16.4
98.20847	2.2
98.97553	2.0
100.02199	2.8
100.99164	1.8
110.97598	2.1
111.03727	2.6
111.04446	36.6
114.09179	3.4
116.07104	3.3
117.03326	4.1
118.03238	18.4
119.04931	3.8
123.04419	3.0
127.03939	1.6
135.04425	6.1
136.04286	97.7
137.05978	23.5
139.03909	100.0
145.02855	5.1
154.08647	4.5
154.94182	2.2
158.99637	1.5
163.03925	29.9
175.11911	1.9
181.04964	43.6
191.01930	1.9
193.03488	3.1
208.99699	1.8
209.02965	3.7
209.57474	1.4
221.02962	9.4
223.06949	1.5
239.04051	3.7
257.05106	8.5
262.05554	5.3
275.03909	6.4
277.02542	1.4
280.06659	4.0
293.05139	2.5
311.06067	4.6
316.13965	3.7
316.19849	5.9
334.07562	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54673	0.7
54.70689	0.8
55.01867	1.9
55.05497	2.7
60.04526	1.1
61.18709	0.9
62.06097	4.8
67.05498	1.5
69.03416	0.7
69.07063	1.7
69.36966	5.0
69.37365	1.4
70.02956	0.9
70.06557	1.1
71.08636	16.4
71.99511	0.7
72.08147	1.2
73.02905	2.5
79.05482	3.4
81.07064	7.6
83.08575	0.8
86.06071	27.1
91.05503	3.8
93.07030	3.1
95.08599	2.4
96.08116	2.7
97.06558	1.2
98.09685	4.5
98.97639	0.8
99.08115	6.6
99.89273	0.9
100.07619	1.2
101.02383	5.8
102.08098	0.8
103.05459	1.4
105.07028	1.3
107.08573	1.8
108.08115	2.1
109.05824	1.0
109.06530	13.9
111.08074	7.4
116.10738	14.3
116.61443	0.8
117.07017	1.1
119.08566	0.8
120.08115	0.7
121.06499	1.1
121.08877	1.5
122.06061	0.7
124.07655	0.9
124.11228	1.4
125.09561	0.7
129.07030	0.9
134.09653	4.7
137.05977	9.7
138.09122	1.7
140.07053	1.3
142.08629	1.8
142.12259	4.0
143.10690	15.0
152.10704	3.6
155.07033	0.9
157.06467	1.4
159.04387	2.8
160.13354	1.7
170.11774	9.5
180.10219	3.8
184.13365	1.0
198.11261	100.0
200.07114	1.7
200.09146	0.9
211.11169	1.7
214.17984	2.6
216.12323	74.4
217.12761	1.0
228.06506	5.3
254.11818	2.0
263.21823	0.7
282.11206	5.3
296.18616	5.2
314.13986	16.0
314.19534	14.3
314.25156	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	314.0693
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78619	0.8
56.05044	14.5
60.08136	1.2
70.06560	1.0
71.39394	1.3
73.01122	3.8
85.02937	0.9
88.02210	3.1
89.03909	1.8
90.03784	74.3
95.06088	12.7
97.02869	1.5
97.55434	0.8
102.05516	1.0
103.03979	1.5
105.03351	2.4
107.04975	1.3
117.03361	2.1
118.03251	16.4
120.43577	1.0
123.04432	29.7
127.91800	0.9
133.02861	23.4
135.04404	9.0
136.04283	79.0
136.06035	2.4
151.03909	23.0
152.07074	1.2
154.13382	3.4
163.03886	7.2
179.03404	100.0
180.03740	1.7
193.13516	1.2
198.12273	1.1
200.22096	0.9
211.14438	5.6
226.15506	1.2
270.21793	3.8
298.10767	1.9
314.06607	1.6
314.13763	1.8
314.19781	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	7.5
57.03442	22.9
57.07079	67.3
67.05502	11.7
69.07069	12.1
69.45113	4.4
71.08635	42.8
75.04491	0.9
79.05456	0.6
81.06594	1.0
81.07059	16.5
81.88665	0.6
83.08157	0.9
83.08624	12.3
85.10189	22.1
89.06039	3.7
93.07034	0.9
94.27251	0.6
95.08612	25.0
97.06503	0.8
97.10178	6.6
99.11719	1.3
100.17970	0.6
101.05989	0.6
103.07577	2.2
109.10164	11.4
111.11705	1.3
112.87144	0.6
113.13258	0.7
121.10146	1.0
123.11719	4.0
125.13228	0.6
135.11716	1.1
137.13255	2.2
139.11194	0.5
165.16528	0.8
192.54250	0.6
221.22668	0.8
239.23724	3.8
257.24796	5.6
313.27383	100.0
314.27734	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	9.2
57.03161	1.0
57.03439	23.9
57.07076	68.4
65.03957	0.9
65.28557	0.7
67.05505	12.9
69.07065	11.2
69.37553	5.1
71.08633	39.5
75.04501	0.9
75.29678	0.6
79.05461	1.4
81.07057	17.8
83.08157	1.0
83.08627	14.7
85.06553	1.5
85.10186	23.2
86.63860	0.7
87.05235	0.7
89.06007	3.9
93.07035	2.0
95.08604	21.9
97.06532	0.9
97.10159	6.5
99.11709	1.1
103.07589	2.7
107.08620	1.0
109.10162	11.9
111.11721	1.3
112.41811	0.8
123.11724	4.2
125.13248	1.2
137.13278	2.0
150.31255	0.8
151.14777	1.6
221.22664	1.0
239.23709	3.6
257.24728	8.0
313.27371	100.0
314.27536	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21006	0.7
55.05516	8.9
57.03162	1.1
57.03443	21.0
57.07080	66.3
67.05178	1.1
67.05512	13.0
68.77217	0.6
69.07074	13.0
69.14323	6.4
71.04989	1.1
71.08637	40.7
75.04489	1.0
79.05480	1.1
81.06593	1.0
81.07059	16.5
82.05990	0.7
83.04976	0.6
83.08623	14.2
85.10190	22.6
89.06036	4.0
93.07033	1.5
93.20958	0.7
95.08614	20.4
97.06497	1.1
97.10160	7.1
99.11715	1.7
103.07579	3.4
107.08595	0.8
109.10167	11.4
111.11735	1.2
117.09110	1.1
121.10112	1.0
123.11721	4.5
137.13249	2.7
151.14813	0.9
210.03238	0.7
239.23721	4.3
257.24744	6.8
313.27383	100.0
314.27704	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1436
Annotation	5,22-dihydroporphyrin
Peak:m/z	Relative Intensity
53.03931	1.3
54.62172	0.7
55.01857	1.1
62.52074	0.8
65.03929	1.4
67.05499	1.3
68.99799	0.8
69.03419	0.8
69.29817	0.8
69.76262	4.4
71.04974	0.9
72.98009	0.7
73.52875	0.7
79.05490	3.0
81.03377	0.9
81.07048	2.3
85.06543	1.0
91.05487	37.0
93.07031	1.5
94.04185	3.0
95.04980	7.6
95.08613	1.8
103.05438	1.4
105.07043	2.8
107.04942	5.0
107.08592	0.7
109.06515	3.3
109.10168	1.1
115.05442	2.0
117.07044	1.1
119.04945	23.8
119.05798	1.3
119.08553	1.0
121.06503	2.3
122.03673	7.8
123.04444	2.2
123.08082	0.8
126.78136	0.8
128.06241	8.6
129.07014	25.1
131.04933	2.3
131.08594	1.6
133.06490	2.3
133.10085	0.9
135.08130	1.3
136.05199	4.4
137.05986	83.5
141.06631	1.1
143.04971	0.9
143.08607	1.2
145.06465	2.5
147.04437	1.5
147.08104	1.4
149.05997	2.1
151.03975	1.9
151.07552	100.0
153.06947	1.0
155.06116	1.1
156.05679	1.2
157.06502	19.4
160.05263	1.2
161.05992	2.8
161.09587	1.9
163.07605	4.5
165.07011	2.5
165.09125	1.0
169.06479	1.1
173.06023	1.0
174.06767	11.5
174.61246	0.8
175.07541	7.1
177.09079	1.7
178.07751	5.7
179.08511	1.1
181.06519	1.5
182.07176	1.2
183.08028	0.9
189.09117	57.0
191.08693	0.9
192.09340	1.0
193.06602	2.0
193.10149	6.4
195.08070	1.6
197.05949	1.4
202.07765	1.4
203.08609	2.0
205.06560	1.0
206.07301	1.7
209.05945	1.5
210.06892	1.1
211.07487	1.4
212.08310	1.0
220.08904	1.6
221.06064	1.6
221.09618	11.8
223.07594	1.1
224.08484	0.8
225.05519	0.9
225.09186	2.0
231.08044	1.4
234.06857	1.2
235.07423	0.8
237.05490	0.9
237.09116	1.7
238.06366	1.3
238.09952	2.1
239.06923	0.9
241.08711	2.3
249.09117	8.1
250.09654	0.9
251.07104	1.4
253.08583	5.4
253.12282	11.7
254.05936	0.9
263.10825	1.5
266.09479	1.7
267.06738	1.0
267.10229	2.0
268.09763	0.7
269.08139	5.9
272.10507	1.7
281.11716	9.8
282.12830	0.9
284.10382	2.4
285.11368	1.0
295.06094	1.6
295.13058	1.0
313.07071	2.5
313.11292	2.0
313.14377	50.4
314.14154	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78576	17.3
70.73775	33.6
82.94601	16.0
84.00987	13.9
98.91951	41.3
112.89593	57.0
114.89301	36.2
116.89099	22.8
180.97475	41.6
237.03491	25.0
253.00934	78.8
255.00674	34.1
270.99841	38.2
313.01819	100.0
331.02844	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.107
Annotation	Phaeochromycin A
Peak:m/z	Relative Intensity
55.01864	1.5
65.03940	1.1
67.05510	1.1
70.59718	0.6
71.49195	0.8
79.05489	1.6
79.64773	0.5
81.07051	1.2
83.04961	1.1
89.03907	0.8
91.05477	24.6
93.07052	0.9
94.04170	2.4
95.04959	4.7
99.04456	0.7
103.05482	1.8
105.07012	1.7
106.97840	0.6
107.04949	3.2
107.08533	0.9
109.02954	0.6
109.06505	1.4
115.05471	2.9
117.06999	1.7
119.04116	1.2
119.04939	17.6
119.08560	0.6
121.06490	2.6
122.03648	4.6
123.04430	9.1
123.08043	1.1
128.06219	5.6
129.07007	14.9
131.04916	2.6
131.08507	1.0
132.05724	0.7
133.06482	1.5
133.10069	0.6
135.04379	1.2
135.08041	1.1
136.05161	3.2
137.05974	49.4
138.06296	0.8
143.04932	1.8
145.06474	1.8
146.07240	0.8
147.04413	3.3
147.08037	1.1
149.06010	1.4
151.07539	62.7
152.42546	0.6
153.06949	1.2
154.07707	0.9
155.06081	0.6
155.08577	1.8
156.05704	1.3
157.06482	10.6
160.05150	1.9
161.05989	10.8
162.06683	0.6
163.07550	5.7
165.06992	11.6
174.06764	8.0
175.07541	6.5
176.04700	0.8
177.05470	0.7
177.06966	0.8
177.09036	0.9
178.07758	4.7
179.07021	2.5
179.08556	2.9
181.06502	2.1
182.07283	2.7
183.08076	4.1
185.05954	1.1
187.07529	1.1
188.04686	14.7
189.09103	36.1
191.07010	16.6
191.08295	0.8
193.06499	10.1
193.10155	3.4
194.07208	1.1
195.08101	1.0
197.06000	1.6
197.09645	1.2
200.08368	0.8
202.07822	0.9
203.07007	15.5
203.08618	1.6
205.06624	0.8
205.08618	1.3
206.07275	1.9
207.08087	5.0
209.06096	0.9
209.08093	2.2
210.06764	8.1
211.07558	15.2
212.08093	0.7
213.05542	0.7
217.06447	1.0
218.07289	0.7
219.08115	0.9
221.06003	14.2
221.09572	5.8
223.07515	1.7
224.08359	1.8
225.09082	9.7
227.07025	1.7
228.07646	0.8
231.07964	1.2
234.06857	2.2
235.07587	7.4
237.05449	1.5
238.06313	3.7
238.10016	0.9
239.07031	18.9
239.10660	1.1
240.07771	1.2
241.04913	1.1
243.10258	1.2
249.09088	6.4
249.16792	0.7
251.06995	1.9
251.17299	0.7
252.07852	3.2
253.08598	19.0
253.12177	7.3
255.06435	1.1
256.07468	1.3
263.06967	1.8
266.09357	1.2
267.10147	9.0
269.08002	3.2
271.09647	23.7
272.10281	1.4
277.08640	2.4
280.07407	4.6
280.10355	0.9
281.08038	1.5
281.11597	5.4
284.10480	1.3
285.11264	1.6
295.06311	1.3
295.09641	18.5
297.07651	1.4
298.08350	0.8
313.10684	100.0
313.14301	23.7
314.11014	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1806
Annotation	Phomaligin A
Peak:m/z	Relative Intensity
55.01856	0.9
56.05048	4.6
56.60022	0.9
56.96567	3.1
61.02922	5.6
69.03414	1.5
70.06578	3.8
71.48259	1.1
72.04482	1.3
74.19701	0.8
79.05458	1.0
79.28696	0.8
80.04996	1.1
81.03416	1.3
84.08144	1.1
85.02896	2.7
86.06057	1.6
88.02200	2.6
91.05490	3.4
93.07043	1.6
95.06106	1.2
96.04462	1.2
97.02858	1.5
98.97598	1.1
102.05544	2.7
102.45176	1.0
105.03410	2.0
105.07027	2.9
107.04945	2.8
107.08569	1.5
114.08751	0.9
117.26514	1.0
118.06635	0.9
119.08609	1.2
123.04457	2.1
128.07097	1.4
129.06992	2.0
131.08565	8.1
132.08150	1.9
133.02866	5.3
133.10132	1.5
134.02716	2.3
135.04480	1.8
135.08037	1.1
137.05977	2.9
138.05496	2.3
142.07741	1.3
144.05717	1.7
145.06464	1.1
145.10158	3.1
147.04475	1.1
149.09628	5.3
151.03934	2.4
157.10149	2.4
159.08061	6.4
162.05531	1.3
163.03929	1.2
163.11171	2.5
164.07068	1.1
173.09619	2.0
174.12785	3.5
175.07590	1.7
175.85957	1.0
176.08301	1.1
177.09109	7.0
179.03325	4.5
185.09579	1.9
187.07635	2.6
187.11168	2.0
189.09138	1.9
191.10730	6.4
202.12224	4.6
203.10612	1.3
205.08594	1.6
209.13095	1.0
211.00641	3.3
212.10600	1.9
216.13878	2.2
219.10228	3.3
223.05972	1.3
230.11739	2.6
244.13330	6.1
248.12973	2.1
249.02179	1.1
250.10742	1.8
262.14426	7.0
275.88049	1.0
280.15475	12.9
294.13422	1.6
312.05527	2.0
312.18054	100.0
313.18375	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	312.0868
Annotation	Furoparadine
Peak:m/z	Relative Intensity
55.13524	0.4
56.05038	0.5
59.74763	0.4
59.99102	0.5
69.03408	0.4
69.84140	2.3
70.06583	0.6
77.03928	1.1
79.05467	0.6
81.07033	0.7
85.02920	0.6
88.02216	0.8
91.05488	1.6
95.06100	2.4
98.95246	0.5
105.03387	1.6
105.07008	0.4
107.04959	0.9
109.06498	0.5
116.05309	1.0
119.04914	0.6
122.03601	0.5
123.04433	2.0
133.02834	2.9
135.04462	1.2
137.05988	3.9
138.06335	2.3
150.04062	2.7
150.05315	0.6
152.07097	2.6
157.38458	0.5
159.11575	0.4
162.06268	0.6
179.03442	0.6
187.07538	0.5
188.07901	1.3
190.04962	1.1
191.08263	1.4
192.08902	1.6
196.07620	0.7
198.05431	0.8
212.07112	0.9
213.07895	1.6
214.04958	0.9
216.06549	0.9
219.07890	0.7
220.08237	2.6
224.07104	1.3
226.05008	2.5
228.06483	0.8
238.08701	1.1
240.06615	2.0
241.07339	12.3
242.08101	5.6
248.07146	2.9
251.05966	0.7
252.06563	1.8
252.10890	2.5
253.19217	1.1
256.09814	1.1
264.06882	0.7
265.08182	0.7
266.05444	0.6
266.08145	5.6
268.06085	0.6
269.06992	0.6
270.07608	1.1
276.06686	1.6
280.10461	3.1
282.08240	0.9
283.04810	0.8
284.09216	1.6
294.07590	6.8
296.05527	6.8
297.06308	4.9
312.08676	100.0
312.12793	4.5
312.26517	1.4
313.09109	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.0538
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05040	100.0
57.77158	1.0
67.05521	1.0
69.03419	1.6
69.70650	5.5
70.06606	1.2
74.02444	14.9
74.06083	16.7
84.04506	9.1
84.41639	0.9
84.97482	3.3
85.02921	2.0
91.05477	2.9
95.11293	1.0
102.05548	67.9
102.16606	1.2
105.03317	0.9
109.02884	2.8
117.00076	3.4
121.01093	2.0
123.04446	5.0
127.03951	1.8
128.83684	1.0
131.08556	0.9
131.96677	1.6
133.02856	5.2
134.02722	8.9
136.07547	1.0
137.00592	1.2
137.06012	1.7
145.10094	1.2
150.03131	3.9
151.03915	3.5
155.01619	2.5
159.02643	3.0
162.05501	2.6
165.00090	1.6
165.01830	1.2
168.99522	4.8
179.03406	30.9
187.02226	1.9
190.08687	1.2
204.10236	4.2
211.00616	91.7
233.35435	1.0
249.00060	0.9
249.02187	45.5
250.10776	6.2
270.04346	3.8
312.05386	55.2
312.08661	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	311.2582
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03942	2.4
55.01866	3.1
55.05514	52.8
57.03442	27.2
57.07076	24.7
59.66668	0.9
65.03944	1.3
67.05508	35.1
68.31415	1.1
69.03426	1.3
69.07069	66.9
69.73730	0.9
70.04025	1.0
71.04997	1.8
71.08633	9.9
71.28951	1.1
79.05492	16.2
81.07057	41.4
83.04971	4.3
83.08622	40.6
85.06516	1.9
85.10175	3.1
91.05472	2.9
93.07050	19.4
95.08609	33.4
97.06527	7.9
97.10169	21.8
98.21547	2.9
105.07019	4.5
107.04951	1.2
107.08585	14.1
109.10157	13.9
111.04439	4.7
111.08086	5.0
111.11762	6.0
117.26827	1.1
119.08615	2.8
121.10143	21.8
123.11706	6.9
125.06027	1.7
125.09592	5.5
131.08568	1.5
133.10162	2.7
135.11699	16.1
137.13245	4.6
139.11171	4.0
145.10147	3.0
149.09610	1.0
149.13275	7.0
153.05460	3.7
157.10159	1.3
163.11176	1.6
163.14824	3.1
177.16475	1.4
181.12245	1.6
183.11702	1.1
191.10596	2.4
193.05077	1.2
209.11719	22.8
219.21045	7.8
230.90091	1.0
237.11227	17.8
237.22197	8.1
251.11237	1.0
255.12292	3.5
275.20090	1.8
293.24933	1.7
311.25833	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2581
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03946	1.9
55.01872	2.2
55.05514	59.0
57.03441	26.0
57.06797	1.3
57.07078	29.8
67.05509	10.9
69.07071	65.7
69.24291	4.7
69.24724	3.3
71.05006	1.1
71.08633	17.3
73.02925	2.2
79.05484	6.0
81.07057	13.2
83.04964	2.0
83.08624	56.7
85.10183	6.5
90.09713	0.9
91.05481	1.2
93.07037	9.9
95.08611	11.0
97.06541	5.8
97.10171	40.1
98.20811	1.9
105.07058	1.7
107.08599	5.3
109.10155	3.2
111.04473	0.9
111.08078	2.0
111.11715	13.8
121.10152	9.3
121.33270	0.8
123.11691	2.6
125.09645	2.4
125.13287	3.7
131.08693	0.9
135.11708	5.1
137.13281	1.1
139.11191	1.3
149.13252	3.8
151.06438	0.8
163.14827	1.7
164.48767	0.9
209.11732	4.3
219.21182	1.6
237.11230	4.0
311.25815	100.0
312.26279	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2579
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
52.07029	0.6
53.03938	1.6
55.01875	28.0
55.05512	22.9
57.03438	13.0
57.07077	10.1
67.05505	9.4
69.07066	23.5
69.27203	1.7
69.27618	4.3
71.08630	5.2
73.02916	42.2
79.05493	5.0
81.07056	11.1
81.10586	0.6
83.04971	1.1
83.08620	20.2
83.09122	1.0
85.10179	2.0
91.05466	0.8
92.06163	0.6
93.07035	5.0
95.08603	8.3
97.06538	2.6
97.10172	12.3
107.08578	3.6
109.10170	2.9
111.08094	1.6
111.11744	3.3
121.10156	4.4
122.00072	0.7
123.11697	1.0
125.09658	0.9
126.25011	0.6
129.05469	3.8
130.21494	0.6
135.04414	2.0
135.11678	4.3
149.13210	1.7
161.09608	3.3
179.05067	0.7
209.11790	1.4
237.11168	1.1
237.22095	5.1
255.23141	8.7
311.16364	2.5
311.25806	100.0
312.26355	1.4
316.75961	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2579
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
51.26307	0.8
53.03937	1.3
55.01857	2.3
55.05513	58.9
57.03168	1.8
57.03439	27.9
57.06796	1.4
57.07077	27.7
67.05501	8.4
69.07070	66.8
69.39137	1.7
69.39555	4.1
71.08244	0.9
71.08632	17.4
71.71722	0.8
73.06554	0.9
75.04475	0.7
76.79524	0.7
79.05492	5.6
80.40618	0.7
81.07061	12.4
83.04967	1.3
83.08620	55.9
85.10190	5.6
91.05517	1.0
93.07024	7.0
95.08619	8.9
97.06536	4.9
97.10174	42.4
98.20817	1.5
107.08604	6.4
109.10152	3.7
111.08059	3.3
111.11720	12.6
116.12368	0.8
121.10145	8.3
123.11729	2.3
125.09633	2.7
125.13270	3.1
133.96878	0.7
135.11707	4.8
137.13263	1.3
139.11209	1.4
140.65236	0.6
149.13257	3.2
153.12767	1.4
163.14867	1.5
164.25810	0.6
175.36606	0.7
177.16328	0.7
193.34531	0.7
204.68509	0.8
209.11644	1.2
219.21088	1.9
236.15193	0.7
237.22173	1.5
311.25812	100.0
312.26263	1.3
333.96558	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2368
Annotation	14'-apo-beta-Carotenal
Peak:m/z	Relative Intensity
53.03942	7.6
55.05516	24.7
57.03440	9.8
57.07059	12.4
67.05504	43.5
69.06728	5.9
69.07067	61.0
69.49129	14.2
69.49558	11.8
71.04959	4.6
71.08625	6.7
79.05489	33.4
81.03415	6.8
81.07058	45.4
83.08635	17.1
85.61867	4.1
91.05489	46.1
93.07045	96.0
95.04962	54.8
95.08602	100.0
95.69807	3.2
97.06543	35.4
97.10166	6.7
103.05480	4.7
105.07033	74.8
107.08583	60.8
109.06496	17.7
109.10157	42.7
111.11710	4.0
113.46424	3.9
115.05411	4.6
117.07041	19.7
119.07810	6.5
119.08583	77.7
121.06471	17.2
121.10144	52.4
123.08056	12.3
123.11700	19.2
128.06285	5.0
129.06967	8.0
131.08586	19.3
133.10149	36.8
135.08035	14.3
135.11696	15.5
137.13205	4.0
142.07758	9.7
143.08527	15.6
145.10132	41.8
147.11700	29.6
149.13242	6.5
155.08551	5.5
156.09221	5.1
157.10164	30.3
159.11690	44.8
161.09583	11.2
161.13266	10.1
163.11179	7.1
167.08592	5.4
169.10135	18.4
170.11008	5.0
171.11687	15.2
173.13255	14.2
175.14799	14.7
177.16403	20.8
181.10162	4.8
183.11723	9.8
185.13243	15.8
187.11145	9.0
187.14742	6.0
189.16377	12.0
191.10670	4.3
191.17886	4.0
192.18877	3.7
195.11726	6.4
197.13231	8.0
199.14839	5.0
201.16354	9.4
203.17999	6.4
207.11676	4.3
209.11652	7.5
211.14806	9.6
213.16327	5.1
215.17862	9.4
219.17485	7.0
223.14830	4.9
227.17874	3.8
237.11275	6.4
237.16386	4.0
239.18045	4.4
255.21049	4.4
267.21124	6.2
293.22623	7.0
305.83038	3.3
311.23380	40.5
311.31390	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	311.2216
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
53.03945	8.7
55.01872	34.3
55.05513	85.8
57.03427	10.1
57.07079	35.4
57.29138	3.4
65.03967	5.0
67.05509	54.0
69.03433	9.1
69.07069	43.7
69.14036	21.4
69.14464	12.8
71.04990	13.1
71.08640	5.0
79.05494	67.4
81.03414	9.4
81.07058	91.0
83.04986	81.0
83.08613	46.6
84.64113	3.3
91.05493	38.4
93.07047	53.1
95.04976	16.2
95.08607	38.8
97.06535	39.3
97.10169	44.3
97.63377	3.1
103.05383	3.6
105.07024	41.4
107.04961	10.9
107.08589	100.0
108.08901	3.2
109.02859	5.1
109.06513	15.0
109.10138	22.0
111.04448	30.5
111.08077	11.2
111.11717	3.9
113.06004	11.9
117.07030	10.3
119.08584	15.8
121.10144	21.1
123.08049	6.1
123.11732	5.5
125.05991	12.3
125.09629	81.1
131.08589	16.5
133.10143	14.2
135.08046	10.2
135.11708	21.1
139.11217	7.5
143.08571	5.8
145.10132	19.6
147.11688	11.4
149.02391	6.8
149.09615	13.3
149.13258	7.0
153.05450	18.1
153.12766	13.6
157.10158	5.5
159.11676	13.8
161.09558	5.4
161.13246	7.3
163.11191	10.2
167.10696	11.4
169.10118	6.4
171.11604	4.9
173.09731	5.1
173.13313	5.8
175.11122	4.1
177.12787	9.9
181.12262	14.8
187.11160	5.7
189.11217	30.1
191.10699	12.1
193.05051	5.3
195.11758	3.9
195.13539	3.3
196.62665	3.4
206.99475	3.6
209.09747	7.8
209.11711	84.9
211.13161	5.0
213.14716	4.4
219.21231	5.4
223.13284	16.2
237.11214	71.0
237.22192	5.4
239.17995	4.9
251.16263	4.8
255.12256	14.4
257.19070	7.3
275.20074	63.7
293.17773	7.8
293.21060	43.7
311.15948	7.7
311.19769	12.9
311.25879	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2005
Annotation	Longithorol E
Peak:m/z	Relative Intensity
53.03957	2.2
54.18382	0.7
54.43082	0.8
55.01869	3.9
55.05510	5.1
57.03428	1.1
57.07066	1.7
59.50706	0.8
62.42953	0.8
65.03947	1.2
67.05508	6.6
69.03437	7.0
69.07082	5.5
71.04997	10.3
79.05520	5.8
79.05895	1.3
81.03427	12.7
81.07056	10.3
83.04961	2.8
83.08619	1.4
84.54964	0.9
85.02911	5.9
91.05489	10.4
93.07062	7.3
95.01389	0.9
95.04992	8.3
95.08620	9.6
97.02897	3.0
97.06541	2.2
97.10171	1.5
99.08125	1.1
105.07042	10.1
106.95547	1.0
107.04962	6.7
107.08601	8.6
109.02884	1.4
109.06493	4.3
109.10184	4.2
111.04463	1.9
111.08102	1.7
114.12928	0.9
115.05459	2.5
117.07035	3.9
119.04936	1.8
119.08585	7.9
121.06494	7.2
121.10149	3.8
123.04431	2.1
123.08073	3.6
123.11687	2.0
125.09634	1.6
127.11192	5.7
128.06201	4.2
129.07019	5.7
131.08569	6.5
133.06512	4.0
133.10178	5.8
135.08061	3.8
135.11664	1.4
137.05988	2.6
137.09622	3.1
139.11142	1.2
141.07007	3.8
142.07828	4.4
143.08571	8.2
145.06471	3.5
145.10132	7.0
147.08055	4.1
147.11691	2.6
149.09631	2.2
153.07076	2.6
154.07761	2.6
155.08575	8.6
156.09367	3.3
157.06506	3.2
157.10158	8.8
158.07190	1.6
159.08064	2.3
159.11688	8.3
161.06000	1.1
161.09647	4.0
161.13315	1.3
163.07494	1.7
163.11214	1.6
165.07025	4.2
165.09108	1.5
166.07770	2.1
167.08577	6.5
168.09337	3.6
168.92879	0.9
169.06477	1.5
169.10106	7.8
170.10863	1.8
171.08052	10.8
171.11743	5.5
172.08878	1.8
172.12349	0.8
173.09662	7.5
173.13254	2.4
175.11211	1.0
177.09077	1.1
178.07738	1.1
179.08517	5.0
179.10683	1.6
180.09384	2.2
181.06566	1.3
181.10168	6.2
182.10921	4.1
183.08147	5.5
183.10342	0.9
183.11693	7.5
184.08882	1.4
185.09674	9.0
185.13280	2.9
187.07573	1.4
187.11200	3.0
187.14798	1.9
189.09132	5.4
189.12756	1.2
191.08556	1.8
191.10661	1.8
191.17183	1.1
192.09383	3.2
193.10147	4.6
194.10918	2.1
195.08058	3.8
195.11726	6.8
196.08824	2.8
197.09627	5.6
197.13293	7.4
198.10478	2.3
199.11208	3.6
199.14905	2.5
201.12743	1.4
201.16399	3.0
207.10092	2.2
207.11739	7.0
208.12517	1.8
209.09615	3.7
209.13289	7.0
210.10413	4.5
211.11406	4.5
211.14864	3.2
212.12003	2.0
213.12767	3.5
213.16377	2.4
215.10638	1.3
221.13307	2.5
222.14050	1.6
223.11238	3.1
223.14879	5.4
225.10663	1.9
225.12776	33.3
225.16345	2.3
226.13373	1.1
227.14317	3.6
227.17868	1.7
229.12311	1.3
229.15926	1.5
233.11548	1.2
235.11220	1.1
235.14857	2.2
237.12720	3.3
237.16397	2.1
239.14310	6.2
239.17896	1.1
240.15106	1.8
241.12292	1.2
241.15865	6.1
247.14851	1.0
249.16380	1.0
251.14549	1.0
251.17958	2.2
253.15884	2.7
255.13853	2.5
258.89502	1.1
265.19571	2.0
267.17523	1.6
269.15387	2.0
269.19028	2.6
283.17520	1.0
283.20624	3.5
293.18845	10.5
311.20081	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.5
59.52559	1.0
61.49485	0.9
64.78499	1.0
65.03944	1.3
69.74774	5.3
69.81399	0.8
76.81773	1.0
79.05483	3.4
81.07036	3.8
85.97556	1.0
91.05482	3.4
94.04172	3.7
95.04938	1.9
103.05428	1.5
104.71809	0.9
105.07014	3.9
105.35564	0.9
107.04967	1.6
109.06524	6.9
115.05451	1.7
116.06174	1.1
121.06509	1.1
122.03652	11.6
123.04453	1.4
129.07011	2.1
131.08554	1.1
133.06503	2.9
134.03554	1.3
137.05983	100.0
144.05719	3.1
149.02364	6.2
149.05972	3.6
155.04906	4.4
159.08031	4.2
161.05986	7.1
165.07005	2.8
171.38544	1.0
171.89781	1.1
172.05183	4.3
173.05966	1.3
175.07605	1.8
177.05536	1.1
177.07158	0.9
179.08565	1.4
187.07561	29.9
188.08267	3.8
189.07011	5.3
189.09103	1.0
190.07759	16.1
191.08562	34.1
192.08963	1.1
201.07039	1.4
202.07706	1.7
205.06543	2.8
207.08089	3.8
208.08833	9.9
211.07545	1.1
217.06540	1.1
218.07286	12.1
219.08058	53.3
220.08736	4.2
221.06012	5.1
221.09500	1.5
223.07637	1.0
223.11327	1.0
225.09103	2.3
233.09572	4.7
235.07579	9.4
236.08333	18.0
237.09102	3.0
240.07808	1.8
246.06729	1.2
247.07574	31.6
248.08351	6.4
249.05447	2.8
249.09229	1.9
250.06310	1.4
251.10678	62.7
252.11130	1.0
253.08565	9.6
261.09058	8.3
263.06940	1.9
264.07800	14.0
265.08600	5.2
266.05667	1.4
268.07336	2.0
268.10928	1.3
270.09000	1.0
278.09485	2.2
279.10172	76.6
280.10876	5.4
281.08115	13.3
283.09656	4.0
283.13077	1.2
293.11639	3.6
295.09717	1.5
296.10410	18.8
311.12778	94.2
312.12924	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1278
Annotation	Porphyrin
Peak:m/z	Relative Intensity
55.01858	1.5
59.52559	1.0
61.49485	0.9
64.78499	1.0
65.03944	1.3
69.74774	5.3
69.81399	0.8
76.81773	1.0
79.05483	3.4
81.07036	3.8
85.97556	1.0
91.05482	3.4
94.04172	3.7
95.04938	1.9
103.05428	1.5
104.71809	0.9
105.07014	3.9
105.35564	0.9
107.04967	1.6
109.06524	6.9
115.05451	1.7
116.06174	1.1
121.06509	1.1
122.03652	11.6
123.04453	1.4
129.07011	2.1
131.08554	1.1
133.06503	2.9
134.03554	1.3
137.05983	100.0
144.05719	3.1
149.02364	6.2
149.05972	3.6
155.04906	4.4
159.08031	4.2
161.05986	7.1
165.07005	2.8
171.38544	1.0
171.89781	1.1
172.05183	4.3
173.05966	1.3
175.07605	1.8
177.05536	1.1
177.07158	0.9
179.08565	1.4
187.07561	29.9
188.08267	3.8
189.07011	5.3
189.09103	1.0
190.07759	16.1
191.08562	34.1
192.08963	1.1
201.07039	1.4
202.07706	1.7
205.06543	2.8
207.08089	3.8
208.08833	9.9
211.07545	1.1
217.06540	1.1
218.07286	12.1
219.08058	53.3
220.08736	4.2
221.06012	5.1
221.09500	1.5
223.07637	1.0
223.11327	1.0
225.09103	2.3
233.09572	4.7
235.07579	9.4
236.08333	18.0
237.09102	3.0
240.07808	1.8
246.06729	1.2
247.07574	31.6
248.08351	6.4
249.05447	2.8
249.09229	1.9
250.06310	1.4
251.10678	62.7
252.11130	1.0
253.08565	9.6
261.09058	8.3
263.06940	1.9
264.07800	14.0
265.08600	5.2
266.05667	1.4
268.07336	2.0
268.10928	1.3
270.09000	1.0
278.09485	2.2
279.10172	76.6
280.10876	5.4
281.08115	13.3
283.09656	4.0
283.13077	1.2
293.11639	3.6
295.09717	1.5
296.10410	18.8
311.12778	94.2
312.12924	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1277
Annotation	Harringtonolide
Peak:m/z	Relative Intensity
53.37449	0.3
55.01873	0.8
55.05502	0.3
57.03435	0.3
67.05493	0.7
69.07055	0.4
70.21357	0.6
70.21748	0.6
71.05033	0.3
79.05489	0.7
81.07043	0.7
91.05489	1.0
93.07071	0.4
95.04955	0.3
95.08612	0.7
96.89148	0.3
97.06528	0.3
101.04209	0.3
103.05445	0.8
105.03381	0.4
105.06976	0.4
107.04968	1.3
107.08621	0.4
109.06526	0.4
115.05432	0.5
116.06233	0.5
117.07053	0.5
119.04939	0.5
121.06521	0.3
121.10133	0.4
129.07010	0.9
131.04933	1.9
137.05997	2.8
137.07756	0.2
141.07018	0.4
143.22278	0.3
145.06528	0.6
147.04419	0.5
147.08089	0.3
152.06229	0.6
153.06995	0.9
157.73956	0.3
163.07388	0.3
165.06987	4.8
166.07782	2.7
167.08554	0.9
168.05699	0.4
168.09323	0.4
176.06195	0.6
177.07002	0.9
178.07762	4.1
179.08546	5.0
181.06496	4.0
181.10129	0.8
182.07269	0.7
183.08058	0.4
189.06964	2.8
190.07779	4.7
191.08556	3.7
192.05745	0.5
192.09312	0.4
193.06511	1.1
193.10152	0.8
194.07285	8.6
195.08041	3.2
196.08844	2.3
197.05919	0.3
197.09692	0.5
199.04010	0.3
202.07854	1.3
203.08537	3.1
204.09384	1.2
205.06482	3.4
205.10127	4.2
206.07268	1.9
206.10881	0.5
207.08063	8.5
208.08870	1.2
209.06004	2.4
209.09583	2.5
210.06779	0.8
211.07532	0.7
215.08571	4.1
218.07292	4.6
219.08057	5.7
220.05222	0.4
220.08769	0.5
221.05988	10.9
221.09370	2.1
222.06767	6.5
222.10185	2.0
223.07526	3.7
223.11124	0.5
224.08325	5.8
225.09148	0.5
231.08051	1.4
232.08827	4.0
233.06093	1.7
233.09604	7.3
234.06755	4.8
234.10365	2.8
235.07552	10.2
236.04652	0.6
236.08301	4.1
237.05482	6.7
237.09113	9.9
238.06071	0.8
238.09721	0.6
239.06996	0.6
239.10695	1.4
240.07965	0.4
243.08089	1.2
245.09662	0.6
246.06784	0.9
247.07549	3.1
247.11211	0.4
248.08334	0.8
249.05453	3.2
249.09119	3.7
250.06268	13.9
250.09900	4.7
251.07040	2.8
251.10683	2.8
252.07809	5.4
253.08604	0.9
259.07434	0.5
260.08392	1.6
261.09122	11.0
262.09857	3.7
263.04526	0.5
263.07071	6.8
263.10233	0.5
264.07806	6.4
264.10944	0.4
265.08609	41.4
265.12106	2.9
266.09113	1.0
267.10165	4.2
268.07367	0.3
268.10739	0.4
271.48355	0.3
275.10696	0.6
277.08624	2.9
278.09387	8.6
279.10162	4.5
280.10992	0.8
283.13312	3.4
293.11725	22.6
294.12146	0.4
295.09726	0.4
296.10413	0.9
311.12778	100.0
312.13211	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.7
59.04995	0.4
65.40097	0.4
67.05513	0.5
69.24818	3.5
70.06606	0.5
72.17246	0.5
91.05445	0.8
97.06539	0.5
105.07019	0.5
107.24811	0.4
112.11228	0.5
119.04938	1.6
119.08558	0.4
120.05246	0.6
123.04395	0.7
126.12782	1.0
131.04924	0.9
131.59796	0.4
137.05991	3.2
139.94492	0.4
143.04945	0.6
143.08534	0.5
145.02820	0.7
146.03171	1.6
146.62401	0.4
147.04440	4.5
148.04733	2.3
149.05984	1.7
157.06520	0.8
160.07503	0.6
161.06041	2.1
162.05482	1.3
163.07544	1.0
164.07079	8.4
175.07584	1.3
176.07080	0.8
177.05414	1.4
177.07863	24.3
178.05804	2.8
178.08623	1.6
187.07672	0.4
202.15941	0.9
213.12737	0.6
219.08080	0.6
230.15399	1.5
246.14915	0.5
248.16479	100.0
249.16919	1.2
251.10670	0.8
279.10251	0.7
284.77460	0.4
292.15799	0.7
292.19083	12.9
310.07697	0.6
310.20142	27.2
311.12778	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05490	0.3
67.20621	0.3
69.07057	0.4
69.24155	0.5
69.24557	2.1
91.05463	0.4
98.21474	0.4
105.07035	0.3
107.64118	0.3
112.11230	0.6
115.05450	0.5
117.07016	0.3
123.04404	0.4
126.12787	0.4
129.07005	0.6
131.04906	1.1
133.06462	0.3
137.05972	1.0
143.04922	0.9
145.06471	0.8
147.04381	0.5
148.05188	0.3
149.05977	2.4
151.07506	0.4
152.94664	0.3
157.06509	0.8
160.07643	0.7
161.06015	2.6
162.05533	1.3
163.07544	1.0
164.07080	8.8
175.07559	1.4
176.07133	0.9
177.07866	25.3
178.08708	2.0
202.15904	0.8
213.12764	0.3
230.15427	2.1
246.14929	0.6
248.16475	100.0
249.16786	1.3
259.21179	0.3
266.58301	0.3
292.19086	19.3
293.19492	0.5
310.07001	0.5
310.20135	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47844	2.3
51.80275	2.7
55.01871	5.0
56.05027	2.5
56.96572	13.8
57.03445	4.3
58.81464	2.5
69.03423	13.4
70.06598	16.1
71.04987	11.1
71.48740	3.4
71.49100	3.0
73.02922	4.1
79.05474	3.3
84.04508	4.0
84.08130	3.5
85.02917	8.9
87.03213	8.3
90.67104	2.5
91.05490	20.3
95.04953	3.7
97.02924	14.6
98.97588	7.5
99.04431	4.0
103.05478	9.7
105.03392	17.4
105.07050	11.9
107.04969	10.4
110.97617	4.7
112.03983	12.8
113.06049	3.2
115.05477	6.0
116.98671	2.7
117.07004	4.4
119.08570	3.9
120.08106	55.4
121.06481	3.1
123.04446	7.8
127.03931	7.7
128.06227	7.7
128.98677	3.6
129.07002	48.9
130.06543	9.9
131.04945	8.3
131.08537	4.8
131.77704	2.6
132.08089	38.5
133.06528	4.5
135.04408	2.7
136.06209	5.2
137.05992	3.8
141.06984	7.3
143.05751	5.2
144.08066	7.4
147.04401	7.0
147.08038	9.4
149.05991	4.5
150.05489	3.1
150.09145	2.7
156.08063	5.4
157.06499	33.7
161.05907	4.8
162.09114	3.8
163.03941	6.6
166.08624	22.2
174.09154	6.6
175.03958	3.5
175.07602	16.1
177.05473	11.6
178.04979	4.6
178.08650	13.3
185.05994	68.7
187.07545	3.1
189.05426	13.8
191.03433	6.0
198.09137	3.8
202.08655	14.5
203.07042	79.6
205.08612	7.5
207.06509	6.4
212.98618	3.7
213.05492	4.4
213.12418	4.4
220.09732	6.2
221.08110	3.7
222.11287	5.1
223.02838	3.1
224.03137	5.5
231.06506	44.8
238.10735	44.1
241.04037	3.2
242.04224	7.2
244.09752	5.5
246.11180	7.9
248.09216	11.0
249.07680	6.1
250.08957	3.0
256.02277	3.7
264.12286	32.0
266.07330	5.0
266.10236	100.0
274.03378	3.1
292.08533	5.7
292.11725	37.7
301.39984	2.7
310.09290	21.2
310.12936	34.6
310.16336	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2425
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03950	2.4
55.01869	5.7
55.05512	32.5
57.03442	26.7
57.07080	8.1
58.53792	1.5
65.03944	3.9
67.05509	84.4
69.03416	3.2
69.07072	45.5
70.01907	1.6
71.04976	3.0
71.08624	6.0
79.05498	27.8
81.03439	2.6
81.07060	100.0
83.04971	2.2
83.08627	18.9
85.06561	3.1
85.45415	1.5
91.05487	17.2
93.07058	28.4
95.04980	6.6
95.08612	74.3
97.06519	8.5
97.10185	8.2
98.98456	2.5
99.08095	4.7
105.07038	17.5
107.08607	13.1
109.06562	4.1
109.10168	32.6
111.08083	3.5
111.11723	5.1
113.05969	2.0
117.07063	2.6
119.08597	13.0
121.02878	11.3
121.10146	14.8
123.04438	2.1
123.08092	2.6
123.11715	16.3
125.09645	1.9
129.05501	7.2
129.06975	2.2
131.08620	2.0
133.10138	16.6
135.11685	11.3
137.05989	12.1
137.09590	1.8
137.13277	6.3
143.08664	2.2
145.02904	3.6
147.11681	10.1
147.29057	1.8
149.13271	5.5
151.14806	3.7
161.13307	6.8
163.11197	2.3
164.98477	4.4
175.14825	3.7
177.05498	6.1
193.12314	3.5
217.19554	14.6
235.20534	10.6
264.96497	1.7
267.06604	3.9
277.18073	3.4
289.09946	2.2
291.16238	2.0
309.07718	2.1
309.24319	94.9
310.24481	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2426
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03944	6.1
55.01860	4.8
55.05516	25.9
57.03426	10.1
57.07063	6.6
65.48105	2.3
67.05507	57.8
69.06801	1.9
69.07075	22.2
71.04973	4.4
71.08637	53.6
79.05494	46.9
81.03406	5.6
81.07059	63.6
82.92512	2.0
83.04975	10.4
83.08643	12.9
85.06521	4.3
91.05493	35.2
93.06499	3.5
93.07055	68.6
95.04972	9.0
95.08609	43.6
97.06514	11.9
97.10178	6.5
99.08102	48.6
105.07040	24.8
107.05002	4.5
107.08611	37.9
109.06535	5.2
109.10187	14.0
111.04509	2.7
111.08075	3.9
117.06999	6.3
119.08600	23.4
121.10159	33.4
123.11695	4.2
129.07027	3.2
131.08537	7.6
133.10101	9.1
135.11707	31.8
137.09615	3.2
139.11192	3.1
141.09097	4.4
145.10124	6.5
147.11667	9.5
149.13251	10.3
151.11192	20.4
153.12668	3.6
157.10098	3.9
159.11653	2.9
161.13272	10.2
163.11203	8.4
163.14757	4.4
165.12755	3.8
175.14859	4.3
177.12897	2.7
179.14325	100.0
189.12663	2.8
189.16425	2.7
195.13828	3.6
199.14929	3.3
207.13985	2.8
217.15863	3.7
231.99202	2.5
235.16949	4.9
240.45377	2.6
241.19440	4.6
249.18335	2.3
259.20523	7.1
277.21637	50.8
309.16888	2.3
309.24454	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	309.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.8
55.01875	3.1
55.05510	14.9
57.03427	9.1
57.07077	2.5
62.40422	2.6
67.05511	32.5
69.07077	19.6
70.93607	4.3
71.04993	3.3
76.45481	2.7
79.05496	30.0
81.03391	3.7
81.07065	45.4
83.04999	3.5
83.08609	5.0
85.37246	2.7
86.90552	2.4
87.72636	2.9
91.05478	43.1
93.07048	68.3
95.04974	46.8
95.08614	42.3
97.06531	18.0
103.05450	6.3
105.04518	4.7
105.07037	68.6
107.04939	4.7
107.08613	35.6
109.06506	10.4
109.10154	22.2
115.05445	3.7
117.07018	18.5
119.08595	56.7
121.06524	13.8
121.10153	100.0
123.08018	8.7
123.11685	5.3
128.06218	7.0
129.06984	11.4
130.07787	4.1
131.08562	39.6
133.06517	4.0
133.07533	4.3
133.10136	43.2
135.08076	6.9
135.11644	11.6
141.06993	9.2
142.07764	16.6
143.08575	26.2
144.09323	8.7
145.10139	48.9
147.08057	5.1
147.11668	11.1
149.09540	3.6
153.06982	3.3
154.07762	3.5
154.43489	2.4
155.08551	13.5
156.09297	8.8
157.10132	34.4
158.10953	4.2
159.08023	2.9
159.11697	34.7
161.09612	10.0
161.13239	8.5
165.06979	3.0
167.08595	4.0
169.10170	19.7
170.10880	8.0
171.11714	17.4
173.13243	21.5
175.14749	4.5
179.08493	4.1
181.10193	4.8
181.12349	2.4
182.10887	4.6
183.11658	15.2
184.12498	2.9
184.55081	2.5
185.13220	9.9
187.11131	11.2
187.14885	14.9
189.12715	3.4
193.10080	4.5
194.10834	3.3
195.11676	9.4
196.12462	5.6
197.13242	11.0
199.14792	10.0
201.12801	3.2
207.11624	5.1
208.12491	3.0
209.13237	6.1
211.11078	3.9
211.14735	8.9
213.16335	4.7
215.14294	3.6
219.11708	3.5
220.12515	3.2
221.13275	4.6
223.14764	5.5
225.12727	2.9
225.16371	4.5
235.14806	6.6
237.16161	4.9
239.17923	4.8
241.19269	2.6
253.15860	4.3
253.19447	4.3
265.19363	7.3
281.22571	5.4
291.21164	12.1
309.22064	84.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2213
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
53.03944	4.8
55.01869	5.2
55.05283	1.6
55.05517	14.4
57.03432	7.0
57.07065	3.7
65.03932	3.4
67.05514	32.4
69.03410	3.3
69.07069	18.1
69.64585	12.7
71.04996	2.2
77.03900	1.9
79.05496	28.3
80.89972	2.0
81.06602	3.1
81.07059	41.1
83.08603	6.8
91.05480	41.9
93.06491	3.6
93.07051	59.1
95.04970	46.7
95.08613	39.4
97.06528	18.0
103.05439	5.1
105.07037	84.0
107.08601	34.7
109.06514	10.6
109.10172	16.4
115.05427	4.6
116.06207	2.0
117.07018	14.6
119.08587	55.0
121.06508	8.0
121.10152	94.0
123.08049	7.6
123.11692	7.1
128.06218	8.7
129.07019	12.9
130.07736	6.1
131.08571	31.4
133.06448	3.5
133.10133	43.3
135.08073	4.9
135.11694	11.8
137.13176	2.3
141.06963	7.0
142.07793	13.8
143.08565	29.5
144.09319	5.5
145.06529	2.3
145.10123	44.3
147.08023	3.8
147.11696	11.9
149.09589	3.5
149.13182	2.4
154.07747	3.1
155.08499	11.2
156.09338	9.6
157.10138	34.6
158.10922	5.2
159.08099	3.4
159.10487	2.7
159.11708	38.4
161.09605	8.8
161.13231	7.5
163.11258	2.5
164.98457	8.0
165.07037	3.4
167.08551	4.5
169.10107	17.7
170.10858	3.9
171.11707	21.4
172.12366	2.6
173.09662	3.0
173.13278	18.9
175.11188	3.9
175.14789	7.6
179.08524	5.1
181.10103	7.2
182.10968	3.4
183.11700	15.4
185.13307	13.8
187.11188	11.3
187.14810	19.9
193.10106	7.3
194.10918	3.7
195.11676	9.2
196.12520	5.1
197.13278	16.4
199.11151	3.4
199.14812	11.3
201.16380	3.5
206.99600	2.5
207.11673	8.3
209.13243	9.9
211.14815	13.0
213.12608	2.5
213.16364	4.2
213.92482	2.3
215.14282	2.7
217.15755	3.8
220.12454	4.1
221.13208	5.3
223.14796	6.5
225.16377	8.8
233.13518	3.8
235.14798	6.6
237.16275	4.2
239.14267	5.5
239.17934	7.1
241.15749	2.5
249.16418	3.0
251.17982	3.1
253.15814	6.0
253.19431	3.2
258.67825	2.0
265.19540	4.9
267.17374	2.1
281.22577	9.9
291.21066	12.5
309.22073	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.206
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03936	5.4
55.01872	18.9
55.05511	58.1
57.03437	9.5
57.07069	3.2
59.04997	2.1
65.03938	4.7
67.05505	45.5
67.54485	1.4
69.03431	8.3
69.07069	32.6
69.67796	9.0
71.04984	6.1
79.05492	46.3
81.03423	18.9
81.07056	100.0
83.04974	15.4
83.08620	27.3
85.02893	4.3
85.06541	4.7
91.05486	23.8
93.07043	30.7
95.04971	18.6
95.08604	26.3
97.02891	2.2
97.06531	25.9
97.10170	39.3
98.20763	2.6
99.04442	2.4
99.08089	7.3
103.05452	2.4
105.04503	2.3
105.07039	23.4
107.04962	8.6
107.08596	27.0
109.02900	1.7
109.06534	13.2
109.10179	13.0
111.04447	13.1
111.08050	11.9
115.05457	2.4
117.07024	9.4
119.08592	20.6
121.06498	6.7
121.10143	13.5
123.04459	2.0
123.08062	43.7
123.11709	2.7
125.05981	2.1
125.09632	36.0
129.07010	7.0
131.08557	12.8
133.06548	2.7
133.10150	9.5
135.08075	8.7
135.11670	10.4
137.09618	9.1
139.03923	4.6
143.08543	5.1
143.10675	2.5
145.02867	2.6
145.10123	14.1
147.08052	7.0
147.11699	7.7
149.09644	7.9
149.13235	3.1
151.03850	3.3
151.11153	2.6
153.09096	5.2
153.12714	6.0
157.10114	5.7
159.11702	4.1
161.09680	2.9
163.11179	32.0
165.09108	12.9
165.12764	2.2
171.10138	4.2
171.11667	4.1
173.09592	2.5
175.11183	6.5
177.05469	5.4
181.12213	8.8
189.11223	29.6
189.12680	1.4
191.03450	2.8
191.10667	7.4
193.12279	15.1
199.14876	2.2
211.13274	7.5
213.16443	1.6
217.06822	1.7
223.13237	5.0
227.12816	4.1
227.18010	3.5
233.08063	11.0
235.09639	9.1
237.18462	1.9
245.19142	3.0
249.14870	2.4
255.17473	3.2
263.20114	4.6
273.18481	26.3
277.10757	9.8
291.19537	73.3
309.20621	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	309.206
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03947	3.7
53.74945	3.7
55.01875	17.5
55.05512	26.4
57.03444	21.6
58.11719	2.9
59.04984	4.4
61.45051	3.0
65.03915	4.0
67.05505	51.4
69.03432	9.1
69.07064	10.9
70.33436	6.1
71.04990	10.3
79.05500	46.4
79.16710	4.0
81.03409	7.9
81.07062	90.2
83.04975	30.2
83.08620	14.3
85.02905	9.9
85.06551	22.8
91.05489	31.6
91.26130	4.1
91.94514	3.1
93.07059	38.8
95.04978	37.2
95.08608	18.4
97.06533	10.9
97.10161	13.0
98.98483	3.9
105.07047	28.2
107.04962	10.0
107.08614	25.3
109.06544	31.2
109.10163	13.7
111.04451	35.2
111.08070	10.7
113.06016	52.7
117.07034	23.0
119.08582	32.4
121.06510	10.0
121.10147	17.4
123.08065	12.2
125.09633	9.2
127.28124	3.7
129.06969	5.7
131.08560	23.1
133.10143	12.8
135.08057	25.3
135.11713	14.1
137.05951	3.8
137.09604	6.9
143.08588	4.0
145.10147	16.7
147.08034	14.1
147.11679	6.5
149.09650	8.4
153.12766	7.4
157.10170	4.6
159.11713	8.5
161.09610	8.3
163.11192	17.0
171.11688	3.7
173.09740	5.4
175.11247	3.9
177.05482	9.9
181.12259	16.4
185.13121	4.3
189.11308	4.3
191.10715	8.8
199.14868	4.2
217.15773	4.4
227.12872	5.5
249.15060	4.3
255.17487	5.0
273.18503	31.7
291.19574	100.0
309.14932	3.5
309.21634	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.206
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03941	6.0
55.01878	18.5
55.05515	29.7
57.03421	6.4
57.07079	2.1
65.03934	2.9
65.55928	2.4
67.05507	80.5
69.03408	6.1
69.07067	26.1
69.83945	4.3
69.84337	5.8
71.04974	10.0
73.63873	2.3
75.18926	2.0
79.05491	47.8
81.03443	3.2
81.07059	94.6
83.01352	3.5
83.04982	15.6
83.08625	11.1
85.06528	8.5
91.05480	52.8
92.78372	2.1
93.07047	57.0
95.04967	11.3
95.08608	28.8
97.06529	6.6
97.10157	6.5
98.20860	2.5
99.04453	5.2
105.07037	58.8
107.04950	8.8
107.08591	49.2
107.14178	1.8
109.06502	13.9
109.10162	84.8
111.04417	8.5
111.08070	9.4
113.05994	3.4
113.09725	2.8
115.05460	3.3
116.39731	2.1
117.07001	9.1
119.04907	2.5
119.08585	21.5
121.06521	11.9
121.10145	11.6
123.04406	4.8
123.08079	8.0
123.11683	11.3
125.06015	2.5
125.09707	2.3
127.07560	5.2
128.06184	2.6
129.07019	5.6
131.08615	12.4
133.06468	8.0
133.10130	100.0
134.10419	2.1
135.08043	6.9
135.11678	6.9
137.05981	4.1
137.09637	3.8
139.07550	7.0
143.08563	5.8
145.10196	12.9
147.08038	9.5
147.11661	6.5
149.09621	9.1
149.13196	2.8
151.11186	61.9
154.03688	2.1
157.10086	6.6
159.08130	2.5
159.11690	6.3
161.09651	12.9
161.13213	4.1
163.11125	3.9
165.12796	2.1
169.12230	13.7
171.11690	7.9
173.09663	2.6
175.11221	4.6
177.05530	2.7
179.10652	4.7
179.14249	3.4
185.13159	3.0
189.12764	3.4
193.12149	2.6
201.12878	2.3
203.14330	3.8
207.13739	2.4
215.12839	6.7
217.12222	7.8
227.59262	2.1
245.19080	13.3
255.17563	3.8
263.20026	11.3
273.18524	33.5
291.19534	66.0
292.19769	2.5
309.20407	18.7
311.42984	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2059
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
50.98485	1.1
53.03937	3.3
53.71191	1.0
55.01865	5.3
55.05515	29.4
57.03418	1.9
59.04998	1.8
67.05509	16.7
69.03429	4.0
69.07071	13.5
71.05002	1.4
77.09187	1.1
79.05085	1.2
79.05497	17.9
81.03407	2.6
81.07057	22.0
83.04974	3.4
83.08626	15.1
91.05468	11.8
93.07053	13.5
95.04985	6.3
95.08618	8.8
97.06509	2.7
97.10171	21.3
98.20675	2.1
98.98510	1.2
105.07030	9.3
107.04935	3.2
107.08608	11.3
109.06497	2.6
109.10158	4.4
111.04494	2.4
111.08128	2.9
112.01523	1.2
117.06995	4.2
118.11800	1.4
119.08588	7.9
121.02885	1.5
121.06485	3.1
121.10162	4.6
123.04424	1.3
123.08072	8.8
125.09636	15.4
129.06978	1.3
131.08589	5.5
133.06493	2.7
133.10120	3.7
135.08054	4.2
137.09650	2.8
143.08597	2.5
145.10155	4.2
145.74867	1.0
147.08069	3.6
147.11655	2.9
153.09093	1.7
157.10095	1.4
159.07979	1.1
161.09602	2.4
163.11220	3.2
165.09116	4.2
168.52428	1.0
171.10231	1.3
175.11194	3.6
177.05438	2.3
181.12120	1.8
187.11206	1.2
189.11232	12.1
213.12747	1.5
223.13307	2.4
229.83388	1.8
237.16371	1.9
245.19113	1.9
249.14941	2.1
255.17479	2.4
263.20157	1.4
273.18475	12.0
291.19556	100.0
292.19971	2.7
305.62189	1.4
309.17474	1.4
309.20364	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
59.62498	0.7
60.72152	0.4
69.03412	1.4
69.15290	5.4
73.20463	0.5
85.02894	1.7
89.03902	3.4
97.02888	3.5
98.21528	1.2
115.03935	0.8
115.05481	0.8
117.02526	0.9
117.03381	17.6
118.33481	0.6
130.69783	0.5
134.03619	0.8
135.04442	0.9
137.05966	2.2
138.87512	0.6
143.04909	0.8
145.02852	50.3
149.05984	5.4
175.07587	0.7
177.05476	100.0
177.79530	0.5
178.05887	1.0
185.06018	0.7
189.05521	0.6
203.07022	0.7
203.65578	0.6
230.08725	0.5
231.06520	14.3
245.08237	0.9
273.07675	1.2
291.08627	13.3
309.09714	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.097
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90362	0.5
53.03938	1.7
54.22727	0.5
55.01867	0.5
55.05511	2.5
57.03462	1.0
58.91821	0.5
59.05008	9.8
60.25830	0.5
65.03925	0.8
67.05507	1.3
69.03439	5.1
69.07072	0.7
69.20724	5.0
71.05005	0.8
73.02906	0.5
79.05502	1.1
81.03421	11.0
81.07045	1.5
83.05003	1.1
83.08632	0.7
85.02916	4.0
89.03935	1.8
91.05493	10.1
93.07052	1.5
94.06556	0.8
95.08608	1.2
97.02896	3.3
97.06523	0.8
98.20773	0.9
99.04462	1.0
100.11269	5.4
105.07048	2.3
107.04971	0.7
107.08600	1.0
109.02895	3.3
109.06491	0.7
109.10128	0.6
111.04482	0.9
115.05484	0.5
117.03384	6.9
117.09154	0.9
119.04953	24.4
119.08566	1.1
121.10117	0.8
122.06046	1.2
127.03928	1.7
128.14355	0.6
129.07010	0.6
131.08556	0.7
133.10179	1.0
136.07590	0.9
137.06021	2.1
138.09146	0.8
141.11499	0.9
143.08525	0.8
145.02858	20.7
145.10107	0.7
146.09637	0.7
147.04424	100.0
147.11705	1.1
149.05994	2.5
149.07906	0.9
150.09114	1.0
154.27649	0.5
161.06207	0.5
163.03926	2.4
164.07098	0.7
165.05486	4.0
177.05489	40.3
182.15404	1.4
185.06055	0.7
210.14986	0.9
213.17836	0.9
217.09857	1.1
218.15347	0.8
219.15720	1.6
220.09589	0.6
221.06003	1.1
221.09709	0.6
223.07558	0.6
227.17548	1.6
231.06509	5.2
234.06735	1.4
234.33217	0.6
235.07497	0.8
247.15413	2.6
248.16466	1.3
249.05501	0.8
249.09245	0.8
250.06177	0.6
251.07132	0.7
261.08746	2.2
263.07062	0.6
263.10526	0.6
273.22195	0.7
274.18015	1.6
277.08636	1.8
281.11813	0.9
285.24161	0.6
287.10052	0.6
291.08612	13.4
291.17871	1.1
291.23547	0.5
294.08762	0.9
309.07117	0.9
309.11295	4.0
309.18796	1.7
309.21878	1.1
326.27826	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86836	0.8
57.03429	0.9
63.02361	1.0
64.21684	0.9
66.57479	0.9
66.76701	0.8
69.03422	2.9
71.07980	2.0
71.08330	1.0
81.03405	1.8
85.02891	1.5
89.03920	4.3
90.29418	0.9
91.05479	2.0
97.02900	4.3
109.02936	1.2
114.56128	0.8
115.03922	1.1
117.03394	16.2
119.04971	4.6
133.83994	1.1
134.03616	1.3
137.06006	2.9
145.02856	53.9
147.04430	18.4
149.05963	6.0
155.04945	1.0
161.32564	1.0
175.07457	1.0
177.05481	100.0
178.05811	2.1
186.05450	1.2
231.04410	1.2
231.06541	14.0
248.16475	1.1
273.07422	0.9
291.08521	13.9
309.11057	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.097
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57083	0.5
52.71332	0.5
53.03926	0.6
53.32944	0.5
54.32145	0.5
55.01868	0.7
55.05505	1.7
57.03425	0.9
59.05012	1.2
61.12809	0.7
65.03931	0.7
67.05497	1.7
69.03136	0.6
69.03436	5.8
69.07059	1.5
69.21263	4.8
69.21666	0.7
70.82672	0.5
71.04984	0.6
79.05500	1.5
81.03437	4.2
81.07076	3.8
85.02892	2.4
85.06551	0.8
89.03928	5.0
91.05486	5.3
93.07057	2.9
95.04953	0.6
95.08610	3.5
97.02302	0.8
97.02903	10.8
97.06514	1.3
98.20723	0.9
98.97565	0.6
105.07040	2.2
107.08591	2.3
109.02866	1.8
109.06551	0.6
109.10170	1.2
117.03384	17.8
117.07020	0.9
119.04932	7.9
119.08573	1.0
120.08143	1.5
121.06524	1.3
121.10136	1.4
122.06026	1.1
123.08054	1.2
123.11771	0.7
127.03934	0.7
129.07014	0.8
131.04951	0.6
131.08543	1.3
133.10136	0.9
134.03619	1.2
135.04460	1.4
135.11678	0.6
136.07588	0.9
137.05966	2.1
137.09557	0.7
143.08566	0.7
145.02858	55.2
145.10088	1.0
147.04420	35.1
147.08051	0.7
147.11700	0.8
148.07587	0.5
149.02448	0.8
149.06001	7.5
149.08446	0.8
149.09564	1.1
151.03853	1.1
157.10170	1.0
159.11629	0.6
161.09618	0.5
161.13451	0.5
163.03947	0.7
163.07632	0.7
163.11031	0.5
164.07085	0.9
165.05646	0.9
171.11610	1.0
173.09608	0.6
175.11223	0.8
176.06995	0.6
177.05484	100.0
178.05850	0.9
179.14354	0.6
186.05559	0.9
188.89450	0.6
195.06546	1.7
216.06601	0.8
217.12233	1.2
231.06419	0.7
234.06627	1.2
235.07532	0.8
249.09293	1.2
251.06839	0.6
263.10837	0.7
266.05597	0.6
273.07565	1.9
276.61069	0.6
277.08667	1.9
281.08301	0.8
281.11688	0.8
291.08490	4.6
294.08917	0.5
309.07520	1.7
309.12234	3.5
309.20676	1.8
311.54327	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1856
Annotation	6-Hydroxydendroxine
Peak:m/z	Relative Intensity
55.01864	0.7
55.05507	1.4
56.05027	0.6
58.99580	1.2
63.19368	0.5
67.05499	2.5
69.03435	10.2
69.07064	2.0
70.06601	0.9
71.49000	0.8
76.02234	3.8
79.05486	2.5
81.03415	0.7
81.07050	1.6
84.04510	1.3
91.05445	3.0
93.07048	1.9
95.04967	1.7
95.08619	1.2
97.06565	3.9
103.05453	2.8
105.07012	1.4
107.08568	1.0
109.02885	1.2
116.01683	0.7
117.07043	2.9
119.04961	1.2
119.08584	1.8
121.06511	0.8
123.04441	2.9
124.11201	0.8
125.09657	0.8
129.07007	1.6
130.05020	0.8
131.04935	9.9
131.08572	1.7
133.06508	1.2
135.04463	0.7
137.05992	5.3
141.07076	0.7
143.08569	0.6
145.02844	1.4
145.06485	4.7
146.05923	0.7
147.04425	3.9
147.08023	0.7
147.11693	1.2
148.05199	1.3
149.04787	1.2
149.05991	22.8
150.05513	0.6
152.07077	25.7
153.09033	0.9
157.06442	1.0
159.06801	0.6
159.08078	1.8
161.06044	3.3
162.02220	1.3
162.05533	4.8
163.07549	6.2
164.07030	1.2
165.05489	2.3
166.08609	0.7
171.07918	0.8
172.07513	0.8
173.06033	1.1
173.09679	0.8
175.07536	3.0
176.07077	3.8
177.05389	2.9
177.07855	100.0
178.08578	2.3
179.04781	1.3
180.06464	1.0
186.09276	0.7
187.07533	1.7
189.09047	1.4
190.08702	1.4
193.07106	0.6
195.07970	0.7
197.95114	0.6
204.11053	0.9
217.12329	0.7
229.12193	1.0
231.10217	0.7
238.16072	0.5
239.11902	1.3
246.14900	45.3
247.07352	0.5
255.13951	1.1
262.14377	1.8
272.16528	1.1
273.14890	4.1
276.12106	1.0
290.17511	19.5
291.15842	3.6
293.07983	1.0
308.10135	1.9
308.14932	3.1
308.18536	60.4
309.07843	0.8
309.11118	1.0
309.18661	0.8
312.74225	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.7
55.05508	0.7
56.01409	1.0
56.05036	1.7
58.02968	1.2
58.99575	0.4
60.04597	0.3
65.03939	0.6
67.05506	6.9
68.05039	0.3
69.03432	40.1
69.07069	1.4
69.48703	0.9
69.49102	0.7
70.06592	1.7
76.02223	2.3
79.05495	3.0
80.05016	0.4
81.03423	2.4
81.05802	0.4
81.07066	1.6
82.06590	0.6
84.04512	1.2
86.06802	0.2
90.70770	0.3
91.05486	0.8
93.03409	0.3
93.07066	0.4
95.04973	3.4
96.08131	1.0
97.02891	0.6
97.06535	3.7
103.05470	0.6
105.07030	0.4
107.04933	0.3
109.02883	2.1
110.36325	0.3
111.08045	0.3
116.01673	0.6
117.07032	0.3
119.04942	0.3
119.08524	0.4
121.06509	0.3
121.10192	0.3
122.06056	0.4
123.04451	0.6
124.07601	1.1
124.16128	0.2
129.06999	0.5
130.05022	0.3
131.04945	1.0
131.08571	0.9
133.06485	0.3
135.04417	0.3
137.05986	1.2
139.03964	0.4
142.03204	0.4
144.01086	0.3
145.02831	0.8
145.06496	0.4
147.04375	0.8
147.08060	0.3
149.05960	1.9
150.66377	0.2
152.07068	100.0
153.05438	0.4
153.07344	0.5
159.08066	1.3
159.61243	0.3
161.05980	0.8
162.02238	1.0
162.05484	0.9
163.07651	0.4
165.66646	0.3
173.09508	0.4
175.07559	0.7
176.07071	0.7
177.05617	1.2
177.07832	13.3
177.09132	1.4
178.08614	0.4
179.04858	1.1
180.06606	0.4
181.05034	0.3
187.07602	0.3
198.07571	0.6
202.08601	0.4
204.10991	0.4
209.19536	0.3
229.12238	0.4
230.11723	0.6
231.10127	1.0
233.05898	0.4
246.14922	5.9
248.09261	1.5
248.12758	0.4
262.14349	1.0
265.08560	0.3
273.14874	1.0
276.12274	0.7
277.10803	0.3
290.17474	3.6
291.12512	0.4
291.15863	0.8
293.08020	0.6
308.10623	1.6
308.14835	2.2
308.18500	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	308.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.4
54.55637	0.2
55.05514	0.5
56.01403	1.0
56.05038	1.6
56.30549	0.2
58.02958	1.1
65.03949	0.5
67.05505	5.5
68.05027	0.3
69.03432	37.7
69.07056	0.6
69.94525	1.1
70.06592	1.3
76.02232	0.9
79.05499	2.2
80.04989	0.4
81.03432	2.0
81.05807	0.6
81.07065	1.2
82.06569	0.3
84.04505	0.4
91.05464	0.3
95.01300	0.3
95.04969	2.5
96.08134	1.1
96.27366	0.2
97.02882	0.7
97.06515	0.8
98.21550	0.3
106.06524	0.3
106.48907	0.2
109.02895	2.2
110.60559	0.2
124.07579	0.9
126.70691	0.2
131.08620	0.4
140.07068	0.4
147.04422	0.3
148.05238	0.3
149.05933	0.3
152.07068	100.0
153.07353	0.4
161.05884	0.3
174.09148	0.3
177.05482	0.4
177.07848	6.0
177.09238	0.3
178.08621	0.3
179.04855	0.5
180.06601	0.4
202.08678	0.3
229.12149	0.3
236.09116	0.5
246.14882	2.5
248.09230	1.9
248.34950	0.2
264.19534	0.4
273.14874	0.3
290.17578	1.3
291.15723	0.3
293.07944	0.4
308.11090	1.6
308.18582	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	308.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05020	0.5
56.96560	0.6
57.34565	0.5
61.02924	0.5
66.97064	0.5
69.03422	1.2
69.36381	1.4
69.36787	2.6
76.02224	0.7
81.03407	0.9
84.04492	1.1
84.08132	1.5
85.02901	4.2
85.08481	0.5
89.03954	0.6
91.05478	2.2
97.02864	0.9
98.97564	0.6
107.05030	0.5
119.04925	1.2
119.44754	0.5
122.15896	0.5
130.71599	0.5
132.95775	0.6
137.05981	6.4
145.05046	0.7
146.06013	100.0
147.04443	0.9
147.06302	2.4
154.08551	0.8
159.50000	0.6
162.02275	0.5
163.03868	1.0
179.04739	0.5
188.07150	0.7
204.06596	0.5
210.98982	0.6
222.06689	0.5
234.23537	0.5
244.09808	0.7
244.17390	0.9
272.09161	0.7
290.10373	3.2
290.17575	0.8
293.07660	0.5
299.58224	0.8
302.90363	0.5
308.11362	3.4
308.18866	0.6
310.10910	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2632
Annotation	(E,E,E)-2,6,10,14-Tetramethyl-3,6,10,15-hexadecatetraene-2,14-diol
Peak:m/z	Relative Intensity
51.45844	1.6
55.01867	6.0
55.03492	1.6
55.05508	9.4
57.07073	4.4
67.05514	17.1
69.03412	2.0
69.07070	30.0
70.07304	3.9
71.04987	17.3
71.08617	1.9
77.30674	1.8
79.05495	8.4
81.07053	32.2
83.08626	9.6
85.06545	100.0
91.05494	7.0
93.07039	18.3
95.05000	2.7
95.08605	37.8
97.06527	39.1
97.10150	3.4
99.08128	4.0
103.07578	2.9
105.07039	17.9
107.08590	31.9
109.10156	49.6
111.08072	6.3
119.08572	26.9
121.10146	27.3
122.31013	1.8
123.11700	26.6
125.09615	2.7
131.08585	4.4
133.10124	24.5
135.11682	15.3
137.13249	8.2
145.10101	6.8
147.11685	17.3
149.13272	14.5
151.14925	1.8
159.11690	16.3
161.13263	18.0
163.14796	12.3
165.12775	2.4
168.55075	1.7
173.13292	7.5
175.14830	15.0
177.16457	4.4
179.14314	5.8
187.14888	4.7
189.16367	6.5
191.14330	2.4
193.15724	2.4
201.16437	6.6
203.17967	5.4
205.19633	3.3
215.17891	10.4
217.19582	3.3
219.17604	3.0
219.21033	4.3
229.19449	3.7
231.21121	15.1
233.15343	2.1
233.19009	7.0
236.14156	1.9
237.22147	2.3
238.57184	1.7
245.22662	3.7
247.20593	3.6
249.22206	14.9
271.24207	34.5
289.25262	75.8
307.18784	2.2
307.26352	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2635
Annotation	(E,E,E)-2,6,10,14-Tetramethyl-3,6,10,15-hexadecatetraene-2,14-diol
Peak:m/z	Relative Intensity
55.01881	6.6
55.05515	13.2
57.07090	5.2
64.95027	1.9
65.03938	5.5
67.05514	19.8
69.07079	28.3
69.50755	14.2
71.05003	15.3
71.08627	3.7
76.17636	1.9
79.05493	9.2
81.07060	38.1
83.08625	11.3
85.06551	100.0
87.04450	2.3
91.05466	9.8
93.07050	25.8
93.48611	2.0
95.04963	3.0
95.08617	40.9
97.06538	41.6
97.10181	6.1
98.21535	3.5
98.97562	2.0
99.08082	3.2
100.38695	2.1
103.07585	4.3
105.07034	17.5
107.08610	35.4
109.06494	2.4
109.10168	43.8
111.04381	2.6
111.08089	5.4
113.09662	2.2
116.07120	2.4
119.08600	28.7
121.02880	88.5
121.03876	4.4
121.06509	2.4
121.10155	34.6
123.11717	25.1
125.09649	5.4
129.07050	2.4
131.08600	6.7
133.10136	23.2
135.11708	18.8
137.13278	6.7
140.32089	2.1
145.10146	8.4
147.11696	18.7
149.13277	18.2
155.01018	2.8
157.06493	10.0
159.11693	13.1
161.13272	22.1
163.14847	12.6
173.13292	9.1
175.14841	17.5
177.12741	2.6
177.16435	4.9
179.14360	6.7
187.14824	6.9
189.16350	11.5
191.14391	2.2
193.15776	2.4
201.16434	8.7
203.17973	6.2
207.37447	2.3
213.05492	25.8
215.17981	10.2
217.19534	2.5
219.17503	4.7
219.21129	2.9
229.19516	5.6
231.21088	16.9
233.19099	5.4
237.22287	2.8
247.20552	4.1
249.22159	14.2
271.24258	32.1
275.09048	4.7
289.25284	77.9
307.09650	45.8
307.18912	3.5
307.26370	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2632
Annotation	(E,E,E)-2,6,10,14-Tetramethyl-3,6,10,15-hexadecatetraene-2,14-diol
Peak:m/z	Relative Intensity
51.70915	2.4
53.03936	5.5
55.01862	9.4
55.05513	31.6
57.03441	24.9
57.07065	10.0
67.05508	100.0
69.06695	2.2
69.07071	43.7
71.04992	21.0
71.08641	3.3
75.95049	2.1
79.05495	62.6
81.07057	98.0
83.08630	16.1
85.06546	97.6
85.10175	2.6
91.05486	37.8
93.07053	74.3
95.04967	8.2
95.08608	82.0
97.06536	42.5
97.10154	3.8
99.08082	2.7
103.07594	4.4
105.07037	33.6
107.08607	48.1
109.06538	5.6
109.10161	64.6
111.08070	7.0
117.07024	8.1
119.08592	38.6
121.09338	4.0
121.10149	55.3
123.08117	4.7
123.11713	33.3
125.09623	5.7
127.17640	3.0
129.07008	4.0
131.08557	17.6
133.10141	37.3
135.08028	2.1
135.11694	24.5
137.05992	4.1
137.09627	3.2
137.13234	7.7
144.09274	2.3
145.10112	18.2
147.11703	20.1
149.09647	4.6
149.13283	23.2
151.11171	3.1
157.10204	2.4
159.11720	16.8
161.13268	20.5
163.11211	3.4
163.14801	11.4
165.12724	4.3
173.13243	13.2
175.14885	18.5
177.16411	4.9
178.61726	3.1
179.14310	6.8
187.09753	2.0
187.14815	4.8
189.16359	11.1
191.14278	3.9
191.17940	3.3
196.71288	2.3
201.16385	6.4
203.17937	4.9
215.17929	18.8
219.13831	3.1
219.17421	6.3
219.20953	2.7
229.19467	5.0
231.21085	14.6
233.19011	7.6
237.22046	3.9
244.77090	2.2
245.22606	3.4
247.20607	4.3
249.22150	12.4
254.88475	2.5
271.24243	30.9
275.20081	13.5
289.25278	64.6
307.22650	81.8
307.26312	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	307.2632
Annotation	(E,E,E)-2,6,10,14-Tetramethyl-3,6,10,15-hexadecatetraene-2,14-diol
Peak:m/z	Relative Intensity
55.01870	3.3
55.05497	8.3
57.07067	3.5
67.05504	16.2
69.03401	1.8
69.07069	27.9
70.74721	4.4
70.75101	3.5
71.04992	13.9
79.05473	6.0
81.07054	28.8
83.08604	6.7
85.06544	100.0
88.07619	2.1
91.05470	6.7
93.07030	15.4
95.08064	3.4
95.08617	37.0
97.06535	33.7
97.10172	3.3
99.08089	4.2
103.07549	3.5
105.07028	16.6
107.08604	28.7
109.09475	3.4
109.10159	45.3
111.08073	4.5
119.08588	26.7
121.10162	24.7
123.11711	20.2
125.09632	3.4
131.08565	4.3
133.10115	28.3
135.11703	13.4
137.13277	10.0
139.11176	2.0
145.10115	5.6
147.11690	15.2
149.13278	14.7
157.60747	1.8
159.11684	14.1
161.13257	17.1
163.14827	12.1
173.13222	9.4
175.14850	16.4
177.16367	6.1
179.14360	3.8
187.14784	4.3
189.16402	9.3
193.16039	2.2
201.16368	7.7
203.17984	6.8
215.18008	8.3
215.21931	2.3
219.17564	4.6
229.19560	3.8
231.21083	15.2
233.18927	5.4
237.22043	2.6
245.22624	3.7
247.20581	2.8
249.22119	9.8
271.24185	29.5
289.25272	76.0
307.26407	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	307.2631
Annotation	(E,E,E)-2,6,10,14-Tetramethyl-3,6,10,15-hexadecatetraene-2,14-diol
Peak:m/z	Relative Intensity
51.14152	3.8
55.01880	5.7
55.05522	24.0
56.96569	4.5
57.07071	12.3
63.48480	3.2
67.05505	43.0
69.06733	5.5
69.07072	46.3
71.04985	14.4
71.08644	4.2
79.05497	22.5
81.07059	90.3
83.04991	5.0
83.08624	20.9
85.06545	94.8
91.05482	16.7
92.37144	3.2
93.07036	35.2
95.04988	7.8
95.08610	92.8
97.06537	52.8
97.10149	6.5
99.08099	7.3
105.07035	32.5
105.69176	3.5
106.06532	4.2
107.05050	3.5
107.08604	44.3
109.10168	100.0
111.08088	12.3
111.11709	6.2
113.09707	4.3
119.08582	35.6
121.10146	62.0
123.11713	46.7
125.09628	8.8
133.10161	25.6
135.11703	34.5
137.05980	6.6
137.09572	3.9
137.13255	20.6
139.11218	6.5
145.10141	15.2
147.11702	26.0
149.13277	28.0
152.20645	3.6
159.11710	14.5
161.13261	20.9
163.14845	18.3
165.12730	4.3
173.13332	12.0
175.14775	18.7
177.12733	3.9
177.16377	8.6
179.03375	6.5
187.14786	4.1
189.16420	9.6
191.17961	5.1
201.16487	7.5
203.18063	6.0
207.17488	4.5
208.08420	4.0
215.18098	9.2
221.18982	3.6
229.19563	6.3
231.21078	15.0
234.27069	3.5
235.20699	7.8
245.22940	4.3
249.22110	8.9
271.24234	32.8
275.09244	7.5
289.25226	61.4
307.26401	42.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2631
Annotation	(E,E,E)-2,6,10,14-Tetramethyl-3,6,10,15-hexadecatetraene-2,14-diol
Peak:m/z	Relative Intensity
55.01862	2.5
55.05513	13.2
57.03422	1.7
57.07074	3.5
58.06616	1.7
61.52317	1.3
67.05505	21.7
69.07072	25.5
69.18268	4.5
69.18684	9.0
71.04992	15.7
79.05495	9.0
81.07059	29.4
83.08623	14.5
85.06548	100.0
91.05492	4.4
93.07046	20.2
95.07992	2.1
95.08609	44.7
97.05927	2.2
97.06539	30.3
97.10185	3.9
98.21456	3.4
98.97536	1.8
99.08115	2.2
100.82189	1.4
103.07589	3.3
105.07030	19.9
106.06572	5.2
107.06908	3.8
107.08599	33.3
109.10159	55.5
111.08084	7.4
111.11734	1.8
113.09648	2.0
116.07114	3.4
119.08585	34.7
119.09378	2.6
121.10146	40.4
123.08083	1.6
123.11700	31.7
125.09630	2.0
127.11192	1.7
131.08565	4.4
133.10138	28.2
135.11687	22.1
137.13287	11.8
142.65118	1.5
145.10153	7.4
147.11685	25.3
149.13249	14.3
151.14839	1.6
159.11732	14.6
161.13245	21.8
163.14857	9.9
165.12714	2.2
173.13243	10.4
175.14803	14.5
177.16426	5.8
179.14334	3.4
181.15884	1.5
187.14812	5.2
189.16393	10.3
191.17853	1.9
193.15938	1.5
201.16429	7.0
203.17957	7.0
205.19630	1.5
215.17995	6.6
217.19498	3.9
219.17474	4.0
219.21048	2.5
219.59161	1.4
221.19064	4.0
229.19536	5.2
231.21112	14.9
233.18997	3.5
235.12740	2.2
235.20613	5.2
237.22156	1.4
243.21027	1.8
245.22693	3.6
247.20619	5.5
249.22182	11.7
271.24216	32.4
289.25262	49.3
307.12820	6.8
307.26337	15.5
317.94894	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2629
Annotation	(E,E,E)-2,6,10,14-Tetramethyl-3,6,10,15-hexadecatetraene-2,14-diol
Peak:m/z	Relative Intensity
55.01868	3.9
55.05512	10.2
57.07069	3.4
58.22864	1.5
58.64791	1.6
60.96640	1.5
67.05503	16.8
69.07066	28.6
70.88509	2.3
70.88814	2.2
71.04989	19.7
71.08638	1.7
79.05492	9.5
79.46541	1.6
81.06593	2.5
81.07056	34.7
83.08624	11.0
85.06545	100.0
91.05492	8.6
93.07052	23.6
95.08610	36.5
96.54911	1.7
97.06539	29.7
97.10174	4.6
99.08101	2.7
103.07579	2.3
105.07021	20.4
106.06583	2.0
107.08589	34.9
109.10160	49.5
111.08097	6.0
111.11716	2.3
119.08583	25.6
121.09327	3.2
121.10146	39.5
123.08052	3.1
123.11700	31.7
125.09635	5.1
131.08571	4.5
133.10133	30.2
135.11685	20.6
137.05962	5.9
137.13228	8.7
139.11160	3.0
145.10175	7.9
147.11696	22.6
149.09546	2.4
149.13252	18.9
151.14859	2.6
159.11696	10.3
161.13269	24.6
162.06789	1.9
163.14781	12.0
165.12753	4.0
167.14195	1.6
173.13252	9.2
175.14825	13.6
177.16408	5.5
177.41661	1.6
179.14392	1.9
187.14879	5.8
189.16400	8.2
191.08577	3.1
191.17906	2.7
193.16060	2.1
201.16330	8.5
203.17972	12.8
205.19682	3.1
215.18004	6.5
217.19565	4.5
219.08041	1.8
219.11180	1.8
219.17476	5.0
219.20866	1.9
221.19032	6.5
229.19473	5.9
231.21143	13.6
233.19006	2.7
235.20665	7.7
245.22720	3.1
247.07552	3.8
247.20622	4.1
249.22169	8.7
263.23901	1.6
271.24191	29.0
275.06946	3.8
289.25275	56.2
307.09634	6.6
307.12921	7.5
307.26291	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2629
Annotation	Crinitol
Peak:m/z	Relative Intensity
55.05500	5.2
56.05051	2.6
56.96535	2.2
57.03431	4.2
57.07062	4.2
67.05504	9.7
68.99799	3.3
69.03422	3.4
69.07083	10.4
69.17901	21.1
71.05003	4.9
72.08138	2.3
72.32883	1.7
79.05497	6.3
81.03424	2.6
81.07046	14.9
82.02947	1.8
83.08625	2.7
85.02917	12.3
85.06532	17.4
87.00834	7.9
91.05472	5.2
91.16119	1.8
93.07058	5.7
95.08614	12.7
97.06535	9.4
98.98472	3.3
102.00133	100.0
103.03935	5.4
105.07034	5.3
106.06597	2.6
107.08595	8.4
109.02881	3.9
109.10146	14.6
109.58795	2.1
111.08091	3.3
119.08617	5.8
121.10152	7.8
123.11721	7.3
125.09639	2.8
127.03948	2.3
129.01866	4.0
131.08458	2.3
133.10152	5.8
135.11673	6.0
137.13269	4.0
144.01161	15.8
145.10161	4.3
147.11658	6.2
149.13257	6.8
159.11719	3.6
161.13261	4.8
168.01147	4.7
175.14853	2.4
179.03421	2.3
189.03889	2.9
204.03320	4.3
237.22209	2.2
267.97925	2.1
271.24176	4.9
271.74231	2.0
275.09265	4.2
289.25195	9.6
290.03299	2.7
307.09549	2.6
307.12845	4.4
307.26450	7.2
308.04272	6.8
313.94556	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2268
Annotation	Litseakolide B
Peak:m/z	Relative Intensity
53.03938	5.6
55.01470	1.1
55.01859	3.4
55.05515	25.6
57.03444	28.4
57.07079	13.9
58.07410	3.1
59.99102	1.8
65.03924	4.8
66.12782	1.2
67.05508	100.0
68.05856	2.1
68.89834	1.1
69.07072	18.8
71.04975	2.3
71.08615	1.6
72.04518	12.1
79.05498	66.6
81.03416	3.8
81.07061	87.6
83.04994	2.7
83.08628	8.8
85.06544	3.1
91.05486	32.1
93.07051	62.1
95.04979	6.3
95.08612	58.0
96.08960	3.2
97.06527	3.4
97.10182	1.6
99.08086	4.5
103.80681	1.2
105.07034	19.2
106.06570	4.3
107.06908	3.0
107.08598	22.0
109.06517	3.9
109.10154	25.1
114.09070	1.4
116.05321	3.0
117.07014	5.2
119.08583	15.0
121.02838	1.9
121.06573	1.5
121.09329	2.3
121.10151	30.0
123.08103	1.8
123.11749	7.4
125.09625	2.5
129.07031	1.5
131.08575	9.4
133.10123	10.1
135.08043	1.6
135.11693	15.4
137.06018	1.3
137.09619	1.6
145.10146	8.9
147.11696	4.3
149.09657	1.9
149.13258	5.6
159.11736	7.1
161.13261	1.7
163.11217	1.5
165.12784	5.2
173.13313	3.3
183.37798	1.2
195.47156	1.3
201.10596	2.0
202.10828	3.4
215.17953	7.8
233.18971	2.2
280.06256	1.4
307.22717	89.4
307.27853	10.2
314.42059	1.1
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	Litseakolide B
Peak:m/z	Relative Intensity
52.22030	1.2
53.03942	6.9
55.01862	3.3
55.05511	29.3
57.03439	31.6
57.07056	5.7
65.03915	4.5
67.05505	100.0
68.37774	1.4
69.03445	1.5
69.07069	17.3
71.04979	2.5
72.71047	1.2
72.97235	1.4
77.03922	1.5
79.05493	72.3
79.91739	1.1
80.67232	1.3
81.03408	1.3
81.07054	79.6
83.05007	1.8
83.08621	9.8
83.17338	1.4
85.06535	2.5
88.75513	1.3
91.05484	38.0
93.07043	71.6
95.04971	6.9
95.08607	58.7
97.06498	3.7
97.10175	2.4
99.08076	4.0
105.07031	20.5
106.06541	2.1
107.08588	23.5
109.06504	2.9
109.09478	2.1
109.10165	27.4
112.19398	1.4
117.07008	8.6
119.08574	10.4
121.10144	30.9
123.08038	3.0
123.11690	8.7
125.09604	2.0
131.08569	12.7
133.10158	11.6
135.11671	15.6
137.09618	1.5
137.13173	1.8
142.67941	1.4
145.10114	9.5
147.11678	5.0
149.09601	1.4
149.13268	6.6
159.11726	7.3
163.11163	1.5
173.13312	3.8
178.81866	1.3
178.83411	1.4
202.10907	2.0
215.17958	9.0
233.18954	3.2
307.22665	90.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2269
Annotation	Litseakolide B
Peak:m/z	Relative Intensity
50.13025	2.0
50.86007	2.0
53.03935	8.0
55.01856	3.7
55.05512	23.1
55.05769	2.9
57.03197	3.1
57.03442	32.8
57.07074	17.7
58.07383	2.7
65.03934	5.9
67.05509	100.0
69.07067	13.8
71.49599	2.3
79.05498	74.5
81.07063	83.4
83.04993	2.4
83.08597	7.8
91.05482	30.9
93.07047	68.1
95.05007	2.4
95.08611	55.4
97.06525	5.1
97.10163	3.2
98.98408	3.3
99.08081	2.8
105.07033	20.9
106.06560	6.9
107.06889	4.1
107.08607	24.1
109.06539	2.0
109.10155	24.5
117.06995	6.7
119.08595	10.5
121.10152	27.9
123.08104	2.7
123.11747	7.4
131.08571	10.0
133.09201	2.1
133.10101	12.4
134.12047	2.5
135.11679	13.9
137.09590	3.1
137.13239	3.3
145.10146	13.1
147.11713	6.5
149.13258	6.6
159.11684	8.4
159.94667	2.2
161.42387	2.4
173.13210	5.6
201.10585	6.1
202.10971	5.1
206.41095	2.0
215.17952	8.9
233.19029	4.3
251.64499	2.1
251.68517	2.6
307.22693	81.0
307.28268	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	307.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58432	0.2
59.66442	0.3
64.42070	0.3
69.94209	0.7
69.94608	0.4
70.02956	14.1
74.02424	0.7
81.07143	0.3
84.04529	0.3
87.00845	0.3
88.03991	4.8
91.05466	0.6
98.98449	0.3
116.03459	0.6
118.06554	1.1
119.04910	0.3
128.04962	4.3
132.04443	2.3
134.04501	1.9
146.06015	100.0
147.04419	0.4
147.06387	0.7
163.03958	0.5
174.05516	16.5
180.79626	0.2
192.06561	2.3
204.38988	0.3
221.08238	0.5
243.07721	1.0
244.01785	0.3
261.08710	5.2
289.08261	2.5
307.06006	0.4
307.09311	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	307.227
Annotation	Litseakolide B
Peak:m/z	Relative Intensity
53.03948	5.3
53.71382	1.0
55.01857	2.9
55.05517	24.1
57.03444	29.9
57.07058	2.8
65.03933	3.8
67.05510	100.0
69.03442	1.7
69.06734	1.5
69.07074	16.9
71.04995	1.8
77.03920	1.8
79.05499	68.6
81.03417	1.6
81.07063	81.2
83.04987	3.3
83.08627	9.9
85.06525	2.4
91.05492	32.1
93.07050	73.4
95.04987	5.8
95.08616	62.7
97.06525	3.8
97.10158	2.8
98.98494	1.0
99.08092	3.2
105.04549	2.0
105.06326	1.2
105.07039	20.4
107.08606	23.5
109.06509	4.1
109.09478	2.0
109.10169	26.9
111.08089	3.3
117.07027	7.6
119.08591	12.6
121.10155	30.9
121.11038	1.5
123.08056	2.1
123.11729	7.1
125.09649	1.1
129.05482	1.3
131.08585	11.3
133.10149	12.2
135.08102	1.3
135.11690	18.3
137.06030	1.8
137.09608	1.3
137.13252	2.1
138.06326	1.3
143.08568	1.2
145.10126	9.5
145.67738	1.0
147.11679	6.8
149.09654	1.2
149.13287	8.1
151.11176	2.5
152.60004	1.0
159.11711	10.0
161.13316	1.7
163.11218	3.1
163.14880	1.3
166.14238	0.9
173.13275	6.5
175.14888	1.5
177.12654	1.2
187.14882	2.5
205.19563	1.0
215.17958	14.0
233.19006	3.8
247.45721	1.1
289.21710	1.3
307.22717	91.8
308.22968	1.4
325.34622	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09155	0.3
60.05544	0.3
66.52841	0.2
70.02956	14.2
70.72835	0.6
74.02426	0.7
75.13124	0.3
88.03487	0.4
88.03993	4.7
91.05498	0.5
95.91483	0.2
98.20995	0.4
106.12796	0.3
111.20515	0.3
118.06526	1.0
127.01295	0.3
128.04968	4.4
130.06548	0.3
132.04422	2.0
134.04509	2.4
135.04384	0.3
137.05952	0.6
139.03896	7.6
144.02130	0.3
145.02504	0.4
146.06012	100.0
147.04424	0.7
147.06311	0.6
163.03882	0.6
174.05516	15.2
177.05496	0.4
181.04926	0.5
192.06570	2.1
193.64082	0.3
205.06541	0.3
216.06615	0.9
243.07692	1.0
261.08710	4.6
279.06393	0.3
289.08102	2.2
290.06604	0.8
307.09238	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0627
Annotation	Unknow
Peak:m/z	Relative Intensity
67.49647	0.4
70.31769	1.6
82.99855	0.8
93.41639	0.4
101.00878	4.8
119.01945	4.3
129.16339	0.4
140.98840	1.3
142.54097	0.4
146.16199	0.4
146.67821	0.5
158.99902	3.2
165.15627	0.4
177.00977	12.1
182.99960	1.1
199.03008	0.5
201.00951	4.2
203.44081	0.4
215.78464	0.4
217.04102	2.6
219.02016	19.1
225.00912	3.4
232.12308	0.4
243.02029	14.6
244.01993	0.5
261.03079	100.0
262.03094	2.5
284.04697	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	306.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07069	1.0
70.77125	0.5
70.77499	1.0
79.05499	0.8
81.07063	0.7
91.05495	0.7
93.07045	0.4
94.04173	1.8
95.08572	0.5
96.74348	0.3
97.06567	0.5
107.08607	0.8
107.74406	0.4
109.06548	0.4
109.10151	0.7
110.57489	0.4
118.96075	0.4
122.03667	5.2
126.09190	0.5
133.10153	0.7
135.11717	0.9
137.05984	100.0
138.06303	0.6
153.12778	1.1
170.15456	2.8
182.15437	3.1
234.12854	0.4
297.92905	0.5
306.20673	1.2
315.18433	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.4
55.05508	1.1
56.05040	15.9
56.85055	0.3
56.96539	0.3
57.07074	0.8
58.06607	1.6
62.95109	0.3
65.52004	0.3
66.21353	0.3
67.05497	0.7
69.07082	0.6
70.10384	0.3
72.08162	1.8
73.06569	0.8
78.04656	0.3
79.05499	1.6
81.07058	0.7
84.08154	3.0
85.31371	0.4
93.07044	0.4
95.04999	0.6
95.08569	0.9
96.35927	0.3
98.21600	0.7
105.07039	0.4
106.06561	100.0
107.06890	0.4
107.08607	0.7
109.10194	0.4
116.07098	5.7
120.08971	0.4
121.10157	0.5
128.07089	18.3
134.09711	0.3
147.11679	0.4
160.11975	0.3
185.40994	0.3
191.11754	1.9
201.10603	0.4
201.16466	0.3
220.17639	0.4
221.12906	0.6
234.12482	1.3
235.13368	0.7
288.24054	0.5
306.25229	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.6
53.03939	1.6
55.01873	1.6
55.05515	8.1
57.07088	3.9
58.06603	22.2
67.05496	2.0
69.07053	3.0
70.06590	1.9
71.49791	0.9
72.08160	12.2
73.04028	2.7
73.06564	9.5
79.05498	4.4
80.05859	0.8
81.03442	0.8
81.07047	3.8
82.07388	0.9
83.04988	1.4
85.06553	1.1
86.06018	1.0
91.05480	2.6
91.96204	0.7
93.07045	2.0
95.04964	1.5
95.08598	2.2
96.08953	0.9
97.06519	3.6
98.97585	0.7
105.07024	1.8
106.06557	100.0
107.08596	1.3
109.10133	1.1
115.08709	4.1
116.07098	41.6
119.04973	0.8
119.08552	0.9
121.10181	1.6
123.11764	0.8
131.08600	1.1
132.10225	1.3
133.10172	1.4
134.05998	3.8
135.04422	0.7
137.05948	4.3
139.11186	3.3
141.88937	0.7
145.10107	0.9
146.11653	0.7
147.11676	0.7
157.13368	1.2
175.03914	1.2
176.04216	1.3
191.11847	3.1
192.07677	4.1
194.05278	1.1
200.20105	2.0
201.05528	4.0
201.10664	1.5
202.05806	10.4
220.06897	3.7
234.12373	18.2
244.10497	8.9
244.22719	2.6
261.11258	1.4
262.11569	18.7
262.17926	1.3
263.06592	1.0
275.09116	0.9
275.16479	3.5
288.24326	0.7
289.14639	0.9
292.07352	0.8
306.08237	1.5
306.17801	2.6
306.20789	2.1
306.26459	10.4
307.09579	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
55.05513	8.4
56.05833	1.0
57.07077	1.0
58.06604	22.5
67.05495	1.8
68.05820	0.9
69.07066	2.8
69.91264	0.7
70.07396	1.0
71.04981	1.8
71.49686	1.3
72.07768	0.8
72.08160	15.4
73.04054	1.7
73.06559	12.7
73.77994	0.7
79.05480	2.9
81.07050	2.6
82.07391	1.6
83.08604	1.2
85.06545	3.5
85.07645	0.7
93.07052	2.9
94.07393	1.1
95.08601	3.8
96.08962	1.1
97.06534	1.1
98.97594	1.5
105.07028	3.0
106.06560	100.0
107.08603	3.3
108.08949	2.6
109.10175	2.3
110.10509	1.4
115.08697	3.7
116.07098	49.0
119.08568	3.6
120.08932	2.0
121.10146	3.1
122.10501	1.0
123.11703	1.3
126.13900	0.8
132.08894	0.9
133.06511	2.7
133.10213	1.0
134.10468	1.6
137.05981	1.0
145.10060	1.0
146.10506	0.9
147.11696	1.6
148.11981	1.0
149.13217	1.1
150.13605	1.1
151.11281	0.9
157.13348	0.9
159.11708	1.5
160.12038	3.0
161.13326	1.8
162.13670	2.6
165.06622	0.9
175.14830	1.5
175.41656	0.7
192.07745	4.1
201.16374	0.9
202.16783	2.0
219.17450	1.8
220.17830	4.0
234.12361	21.3
246.19566	0.8
248.20784	1.0
270.23163	0.7
288.24023	2.2
306.10617	1.0
306.18143	1.4
306.25143	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31792	0.5
53.03949	0.7
55.05519	4.7
56.05019	1.7
57.07076	4.0
58.06601	41.6
59.02469	0.5
67.05511	0.8
69.07068	1.2
70.06615	0.8
71.04990	0.6
71.23399	1.0
72.07841	0.4
72.08164	4.2
73.04043	5.2
73.06559	5.3
74.06065	1.6
79.05492	2.7
81.07048	2.1
82.07382	1.1
85.06550	2.7
85.10195	0.5
86.06061	2.1
88.07634	12.9
91.05507	0.6
93.07046	1.4
94.07344	0.7
95.04978	1.4
95.08598	2.5
96.08944	0.9
97.06514	0.9
100.07633	0.5
104.07119	1.3
104.55173	0.6
105.07030	1.3
106.06554	100.0
107.06878	0.6
107.08584	1.6
108.08943	1.1
109.10155	2.1
110.10510	0.7
115.08697	4.6
116.05312	1.2
116.07093	17.0
119.08569	1.5
121.10185	1.1
123.11736	0.7
129.06989	0.5
132.10211	2.5
133.10170	0.7
134.06023	10.6
136.12082	0.9
137.05952	0.9
145.10138	0.6
147.11708	0.8
149.13264	0.8
149.17993	0.7
157.13382	1.5
160.12079	0.8
161.13249	0.7
162.11255	0.9
162.13625	1.0
166.10797	1.4
175.14809	0.8
191.11803	5.8
192.07703	6.7
201.10619	2.0
214.21634	12.1
214.23555	0.7
230.19868	0.6
234.12378	27.8
248.20876	0.7
258.24261	4.6
288.24442	1.3
306.10590	1.6
306.18188	5.7
306.26410	35.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66311	1.0
50.79830	0.8
57.07079	100.0
59.99113	9.7
69.90401	4.1
79.05481	1.1
84.51747	0.9
85.07672	1.5
86.06071	15.0
92.40241	0.8
94.36977	1.0
94.68729	0.9
102.03768	2.4
106.06561	66.6
116.05324	48.3
142.12271	1.0
145.04306	9.7
149.54280	1.0
201.10585	54.1
208.05415	5.0
250.10080	3.3
297.46002	0.9
306.16367	4.8
313.03647	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2476
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
52.11423	3.8
54.10215	3.8
55.05518	24.5
57.07067	11.9
66.46339	4.8
67.05498	39.9
69.03423	8.1
69.07070	56.1
69.55326	30.6
71.05001	34.9
79.05508	25.1
81.07059	71.3
83.08636	20.3
85.06548	98.7
91.05482	24.1
92.47871	4.9
93.07043	54.6
95.04986	9.6
95.08611	100.0
97.06550	17.1
97.10154	9.1
98.97578	22.2
99.08095	8.4
105.07039	50.8
106.06537	6.7
107.08598	83.7
109.06477	6.0
109.10172	73.3
111.08102	10.1
113.09609	5.2
117.07049	8.0
119.08578	67.2
121.10149	85.7
121.10942	7.7
123.08075	10.3
123.11707	34.7
123.79906	4.1
125.09616	15.2
127.11202	22.7
131.08565	20.5
133.10130	51.3
135.11671	41.0
137.09602	14.2
137.13252	11.5
139.11198	11.8
143.08572	7.4
145.10115	29.8
147.11713	41.7
149.13252	29.2
157.10083	9.3
159.11697	51.4
161.13277	48.6
163.03879	6.2
163.14838	10.8
165.12740	11.1
171.11702	13.2
173.13289	38.1
175.14844	21.1
177.12804	5.7
179.14351	8.1
185.13361	8.5
187.14853	19.1
189.16406	12.3
190.11169	4.7
191.14276	8.3
199.14798	7.5
201.16357	37.6
203.17987	7.8
205.15898	5.1
213.16505	10.3
215.18025	5.2
217.15981	5.7
219.17485	22.5
227.18045	6.6
229.19505	37.1
231.17244	6.5
235.17050	4.7
243.20958	4.5
247.20554	32.6
249.18457	4.7
269.22635	28.2
287.14810	6.0
287.23645	56.7
296.12781	10.4
305.10260	6.6
305.24802	93.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2477
Annotation	Methandriol
Peak:m/z	Relative Intensity
50.03744	4.0
55.05518	8.5
57.07082	47.6
67.05515	22.1
68.04692	4.2
69.07075	47.5
70.08989	14.6
71.04988	8.2
72.04525	50.2
73.04855	7.0
79.05492	13.8
81.07076	33.0
82.26006	4.4
83.08637	9.3
84.38109	3.5
85.06532	15.7
86.06078	4.2
91.05477	14.3
93.07058	26.9
95.04968	7.3
95.08624	35.1
95.75424	4.1
97.10186	4.9
105.07036	36.0
106.06559	29.0
106.07236	4.6
107.08597	33.1
109.06530	7.0
109.10159	28.0
111.08096	11.4
116.05312	16.8
117.07040	5.5
119.08596	48.9
121.06570	4.1
121.10161	34.5
123.08075	12.8
123.11735	16.0
125.09615	11.0
129.07050	5.0
131.08583	15.5
133.10149	30.9
135.11705	18.4
143.08620	9.5
144.09323	4.0
145.10153	26.8
147.08153	4.2
147.11711	29.6
149.13251	12.1
157.10127	13.9
158.10953	6.3
159.11707	53.5
159.77650	4.1
161.09654	12.1
161.13258	39.3
163.11179	8.6
163.14867	7.8
171.11725	20.1
173.13280	69.6
175.11203	29.1
175.14766	10.4
177.12794	12.5
177.16379	4.0
185.13148	5.5
187.14883	9.6
189.12752	15.2
199.14845	10.9
201.10587	22.4
201.16441	11.6
203.14253	5.4
213.16385	25.8
217.15900	12.6
217.19661	6.3
219.17398	11.0
223.73274	3.9
227.17836	6.1
229.19531	89.8
231.17455	37.2
245.18976	14.8
247.20506	6.8
269.22644	64.5
269.25357	3.4
287.23694	100.0
305.24655	52.9
305.26950	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2475
Annotation	8,11-eicosadiynoic acid
Peak:m/z	Relative Intensity
53.03941	3.7
55.01872	2.9
55.05271	1.7
55.05512	16.5
57.07083	14.5
63.19217	1.3
65.03939	2.4
67.05510	49.9
69.07072	15.8
71.04992	1.9
71.08640	1.6
79.05497	40.2
81.06594	2.5
81.07062	44.9
83.04972	1.5
83.08627	9.7
85.06539	6.0
85.10201	2.3
88.66338	1.4
91.05482	26.6
93.07050	62.8
95.04932	2.6
95.08611	37.3
96.97823	1.4
97.06516	1.7
97.10165	2.0
105.07041	29.8
106.06562	3.3
107.08601	32.8
109.06525	2.8
109.10177	15.3
116.05319	4.8
117.07015	7.3
119.08585	30.3
121.06519	3.0
121.10148	38.7
123.08085	2.2
123.11702	6.3
129.06972	4.1
131.08575	9.9
133.10136	22.6
135.08057	5.6
135.11691	16.7
137.09532	2.4
137.13240	4.7
143.08575	5.8
145.10123	5.8
147.08076	1.8
147.11707	21.6
149.09651	5.2
149.13245	6.8
151.14796	3.5
153.09088	3.3
157.10149	3.0
159.11711	4.3
161.09604	6.0
161.13260	9.5
163.11195	2.7
163.14774	8.1
167.10712	4.8
171.11696	7.8
173.13213	2.1
175.11163	6.3
175.14818	5.7
177.16339	8.7
179.10657	3.3
181.12317	2.7
185.13272	5.6
189.12778	5.3
189.16434	2.6
191.17982	7.2
193.12231	5.0
199.14857	3.1
201.10597	5.7
203.14381	3.8
203.17937	4.3
205.19595	2.4
207.13760	12.3
209.15387	2.0
213.24051	1.3
217.15891	1.8
221.15430	16.8
223.16835	3.8
235.16891	7.9
236.52730	1.4
245.22731	6.5
249.18509	2.4
259.20596	4.6
259.24387	1.4
269.22864	6.5
287.23718	8.4
305.24771	100.0
306.25079	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2476
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
53.03948	4.0
55.01869	1.8
55.05522	12.3
56.96566	2.7
57.03441	1.7
57.07075	4.7
64.21478	1.5
67.05499	16.6
69.03432	2.7
69.07071	26.0
70.06429	4.6
71.05003	15.8
74.34689	1.5
79.05489	15.8
81.07063	28.7
83.04967	3.1
83.08622	14.9
85.02912	3.0
85.06546	85.3
91.05480	12.8
93.07048	35.3
95.04956	2.6
95.08609	29.9
97.06531	7.7
98.20800	1.6
98.97588	13.5
99.08110	4.9
105.07034	33.6
105.83427	1.6
106.06601	4.2
107.08596	35.0
109.06517	4.0
109.09474	3.2
109.10164	39.3
111.08090	5.5
112.99141	3.1
116.98647	3.1
117.07020	3.0
119.08584	40.4
121.06540	1.7
121.10150	100.0
123.08054	4.4
123.11752	13.1
125.09637	9.6
127.11221	2.2
129.06979	1.8
131.08582	12.2
133.10139	31.3
135.11693	20.1
137.09595	2.6
137.13261	3.6
139.11214	4.4
142.80731	1.6
143.08572	5.2
144.09344	3.8
145.10123	18.8
147.11688	31.4
147.25224	1.7
149.13274	6.9
153.12769	1.9
156.09370	1.7
157.10049	9.2
158.10936	2.0
158.99634	3.3
159.11694	30.1
161.13249	28.9
163.11223	2.0
163.14839	6.7
165.12737	5.3
171.11670	8.7
173.13252	27.6
175.14841	11.7
177.12727	5.4
179.14330	5.3
183.13857	4.3
185.13228	4.8
187.14853	14.9
189.16426	4.3
191.14323	5.2
193.15913	2.4
199.14908	5.7
201.05374	3.1
201.16377	11.5
203.14285	1.7
203.17998	10.0
205.15971	4.2
213.16415	9.3
215.17946	3.4
217.15895	3.8
217.19542	4.2
218.10663	2.5
219.01810	2.1
219.06500	2.1
219.17484	4.7
221.18948	4.0
227.17949	5.7
229.19524	26.4
231.17435	5.9
235.20625	2.1
243.10175	3.0
243.21165	2.3
244.12251	1.8
245.19078	3.1
245.52312	1.8
247.20587	25.5
249.18752	1.8
253.12798	6.0
253.63249	1.7
261.11240	7.6
262.13306	1.7
269.22644	17.0
274.13284	2.7
287.23688	45.4
294.85037	1.5
296.12720	5.5
305.24756	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	305.2476
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
55.05515	22.9
55.47302	2.7
56.89626	2.7
57.07070	7.7
59.04999	2.5
59.76472	2.1
64.06348	2.4
67.05502	25.7
69.03440	2.8
69.07071	40.2
69.20889	23.4
70.06575	2.7
71.05000	16.8
79.05494	18.0
81.07059	46.3
83.04969	5.6
83.08623	27.5
85.06548	100.0
88.07625	2.6
91.05472	14.7
93.07046	47.7
95.04951	5.6
95.08609	52.8
97.06534	15.8
97.10144	3.0
98.20686	4.7
98.97563	4.0
99.08080	4.3
105.07027	45.8
106.06566	4.8
107.08592	53.7
109.06523	6.7
109.10159	57.5
111.08063	9.8
111.57572	2.6
113.09686	2.8
117.07001	8.0
119.08582	52.7
121.06503	3.9
121.10151	91.5
123.08053	8.8
123.11703	18.0
125.09619	13.2
129.61220	2.6
131.08540	15.7
133.10141	48.6
135.08032	5.1
135.11684	31.4
137.09612	4.5
137.13239	6.4
139.11203	5.9
142.07748	3.3
143.08540	9.2
144.09380	3.7
145.10126	27.1
147.11685	42.9
149.09636	3.8
149.13289	12.9
151.11153	3.7
157.10094	15.3
158.10912	4.8
159.11700	34.8
161.09636	6.1
161.13260	43.3
163.11203	5.4
163.14856	14.4
165.12654	5.1
171.11722	16.5
173.13293	34.6
175.11243	3.5
175.14886	13.5
177.12721	10.2
177.16371	3.3
179.14328	5.3
183.13811	4.4
185.13226	8.2
187.14865	18.0
189.16405	10.1
191.14308	8.2
199.14757	4.4
201.09125	2.5
201.16502	13.0
201.18011	3.0
203.08182	3.5
203.14311	3.1
203.17950	18.3
205.15891	6.8
213.16475	12.9
215.17798	3.2
217.15877	7.2
217.19472	3.1
219.17455	7.3
221.19009	9.9
227.18010	4.5
229.19537	29.1
231.17410	11.9
233.19034	4.0
243.21178	6.8
244.22766	3.2
245.19122	5.9
247.20569	28.8
261.11047	3.9
263.10367	4.3
269.22665	21.3
287.23682	53.9
289.38239	2.7
302.31015	2.7
305.10455	3.2
305.24756	62.0
306.26245	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	305.2112
Annotation	Agallochin I
Peak:m/z	Relative Intensity
53.03949	3.8
55.01860	4.6
55.05516	11.3
56.66976	1.8
57.07066	6.6
65.03940	2.3
67.05508	14.4
69.03410	2.8
69.07063	22.3
70.47955	6.5
71.01363	11.2
71.04993	12.8
73.06535	3.3
73.31224	2.0
79.05489	14.6
81.03419	13.4
81.07061	38.6
83.04981	3.8
83.08615	4.8
83.95480	2.3
84.83874	1.7
85.06540	12.5
90.14725	1.9
91.05469	17.1
93.07056	32.0
94.68702	1.8
95.04971	7.4
95.08614	37.7
97.02890	3.6
97.06515	5.8
97.10165	2.0
99.04460	5.3
99.08102	3.9
105.07035	22.0
106.06563	3.3
107.04955	4.3
107.08601	36.4
109.02824	3.2
109.06511	22.4
109.10153	27.5
111.08092	6.0
113.05978	2.5
113.09689	3.3
117.07017	4.7
119.04974	5.0
119.06001	1.8
119.08591	24.7
121.06528	11.5
121.10154	27.9
123.04420	5.4
123.08027	5.1
123.11712	10.4
125.09624	4.3
127.03902	3.7
127.11186	10.1
128.06265	2.6
129.07002	2.9
131.08557	9.0
133.06505	2.0
133.10123	14.5
135.08051	4.9
135.11716	13.5
137.05981	100.0
137.09612	3.4
137.13264	5.0
141.06935	2.0
142.07742	2.6
143.08583	8.8
145.06497	5.3
145.10117	15.7
147.08093	4.4
147.11699	19.0
149.09546	3.5
149.13275	26.5
151.07527	4.7
155.08528	2.4
157.10133	8.8
159.08052	5.0
159.11670	12.7
161.09576	5.9
161.13258	10.0
163.07553	7.2
163.11134	5.2
163.14835	3.8
165.09152	2.1
165.12875	2.3
167.10713	2.5
169.10106	2.2
171.11714	7.7
173.09644	3.6
173.13271	10.4
175.11186	12.9
175.14761	4.1
177.09070	3.3
177.16364	12.7
179.10748	3.5
183.11632	3.0
185.13269	6.2
187.11089	3.5
187.14803	4.2
189.12769	3.0
189.16374	5.0
195.17381	3.0
196.62608	2.9
199.14909	3.4
201.12729	6.2
201.16438	14.8
201.70422	2.0
203.14301	2.9
203.17960	4.7
205.15923	5.5
213.16386	3.0
215.14378	3.6
215.17957	6.3
217.12300	3.3
217.16100	2.1
217.19597	4.1
219.13788	4.9
219.17393	2.9
221.18983	2.6
223.16957	3.6
229.19519	2.7
233.19011	2.1
241.19682	2.2
243.17450	14.8
243.25179	2.1
247.20555	3.1
261.18518	8.9
269.18964	7.3
269.22678	2.9
287.20050	23.2
287.23633	9.8
305.17841	3.0
305.21112	40.3
305.24698	9.2
305.28308	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	305.2112
Annotation	Agallochin I
Peak:m/z	Relative Intensity
53.03932	3.5
55.01862	4.0
55.05507	12.9
57.03433	2.4
57.07066	5.4
59.04991	2.4
60.82940	1.6
66.46300	1.8
67.05511	15.0
69.03428	4.6
69.07072	19.3
70.36242	2.8
70.36629	2.5
71.01350	10.9
71.04993	13.4
73.06533	3.9
79.05498	11.9
81.03396	12.9
81.06597	2.6
81.07057	40.5
83.04957	2.7
83.08593	6.1
85.06538	17.1
91.05476	14.9
93.07054	26.8
95.04963	8.5
95.08602	35.7
97.02890	5.3
97.06511	4.9
97.10168	3.6
98.97590	2.5
99.04443	5.4
99.08081	3.2
105.07043	22.7
107.04939	2.7
107.08588	35.6
109.02881	3.9
109.06516	24.5
109.10159	31.3
111.08022	2.0
113.09599	2.1
114.91665	1.9
117.06996	4.5
119.04957	3.9
119.08575	20.5
121.06498	5.8
121.10134	30.6
123.04427	3.0
123.08087	4.6
123.11674	10.3
125.05958	2.3
125.09630	7.1
126.57869	1.9
127.03899	4.1
127.11171	6.6
129.06982	2.6
131.08578	9.6
133.10114	19.1
135.08040	7.4
135.11681	13.5
137.05978	100.0
137.09625	3.4
137.13261	6.1
139.11188	2.7
142.07799	2.8
143.08511	7.9
145.06531	4.3
145.10107	16.1
147.08014	5.8
147.11685	15.3
147.27365	1.8
149.09561	2.7
149.13249	24.6
151.07538	4.9
151.11160	3.2
155.08607	2.1
157.10135	9.7
159.08034	4.1
159.11676	15.3
161.09599	5.9
161.13272	11.5
163.07516	7.0
163.11119	5.3
163.14835	4.8
165.09174	3.1
167.14372	2.9
169.10115	2.6
171.07872	2.5
171.11678	5.9
173.09602	4.0
173.13336	8.5
175.11208	10.0
175.14796	5.0
177.09036	2.3
177.12613	2.2
177.16454	8.5
179.10603	2.6
179.14366	3.0
183.11623	3.9
185.13295	4.5
187.11105	2.7
187.14835	6.4
189.12727	4.9
189.16365	4.4
195.17393	5.6
197.13211	4.2
199.14809	2.6
201.12715	6.1
201.16415	11.5
203.17937	6.0
205.15826	2.3
213.12782	2.5
213.16328	2.6
215.14328	4.3
215.17937	4.5
217.15804	2.8
217.19470	3.7
219.06885	2.2
219.13832	3.3
219.17473	2.5
223.16882	2.4
231.13770	3.1
233.18982	3.8
241.19513	3.0
243.17410	19.6
247.20511	2.3
261.18454	9.1
269.19003	8.3
269.22433	2.9
285.25928	2.0
287.20047	21.9
287.23630	6.6
305.17828	2.9
305.21088	40.0
305.24667	11.5
305.28659	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	305.2111
Annotation	16beta,17beta-Dihydroxy-16-methylestr-4-en-3-one
Peak:m/z	Relative Intensity
51.41149	1.1
52.29733	1.1
55.01863	1.5
55.05502	3.3
57.03425	4.0
61.26078	1.2
67.05518	6.6
69.07066	9.6
71.04980	2.2
71.48328	1.2
71.48713	1.7
79.05490	5.9
81.03422	5.1
81.07066	8.1
83.08643	1.9
85.02901	14.5
85.06532	3.6
89.07911	1.4
91.05474	11.1
93.07046	8.5
94.28202	1.4
95.04961	5.3
95.08614	10.6
98.06072	1.3
105.07029	16.9
107.04961	2.0
107.08599	12.1
109.06522	2.9
109.10155	19.2
117.07023	4.8
119.08578	14.1
121.06522	6.0
121.10149	9.7
123.08095	3.2
123.11700	4.2
125.09640	2.9
129.06975	3.3
131.08582	9.7
133.10135	11.7
135.08052	3.7
135.11696	4.8
137.09628	1.4
141.07033	1.9
143.08546	5.9
145.06487	1.8
145.10130	8.9
147.11688	4.9
149.09607	1.2
155.08586	1.7
157.10132	7.6
159.08069	8.9
159.11714	6.7
161.09615	3.3
161.13266	8.2
169.10118	4.8
171.11731	6.8
173.09621	21.1
173.13301	4.8
175.11165	1.9
175.14902	6.5
181.10153	1.7
183.11742	3.4
185.09689	1.6
185.13286	3.6
187.11143	1.4
187.14891	1.3
195.11758	2.2
196.12411	2.7
199.11270	1.5
199.14807	2.4
201.12717	1.4
201.16324	6.8
203.17857	1.4
211.14851	3.9
213.12706	2.8
217.15932	2.3
219.17416	3.8
227.17911	8.6
229.15881	100.0
230.73430	1.2
231.13803	2.1
243.17398	3.6
269.19083	6.9
287.20087	22.4
305.15710	1.3
305.21521	7.1
305.26587	2.2
305.31418	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	305.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.4
55.01633	0.6
55.01875	6.5
55.05518	3.5
67.05492	1.9
69.03426	0.5
69.07073	4.8
70.16959	1.1
71.04977	1.1
73.02925	3.4
78.04739	0.5
79.05504	7.5
81.07060	7.4
83.04969	1.0
83.08614	1.0
85.06543	3.9
89.17551	0.4
91.05495	4.4
93.07054	2.2
95.04980	1.2
95.08618	3.9
97.06527	1.7
103.05457	0.8
104.06200	0.6
105.03391	0.7
105.07014	3.2
107.04939	3.5
107.08589	3.5
109.10150	3.0
111.08028	0.4
115.05456	0.8
117.07032	1.2
119.04916	1.0
119.08591	2.6
121.10144	3.0
123.04408	3.0
123.11717	1.5
128.06230	0.8
129.06972	0.8
131.04929	1.5
131.08607	1.0
132.05710	0.9
133.06485	1.4
133.10144	1.7
134.03654	1.3
135.04413	1.8
135.11688	1.8
137.13210	0.4
140.61755	0.4
143.08614	0.9
144.05644	0.7
145.02843	0.7
145.06474	1.3
145.10146	2.4
147.04399	2.6
147.08000	0.6
147.11674	1.3
149.13266	1.7
152.91194	0.5
155.08554	0.8
157.10161	0.7
158.07349	0.5
159.04449	0.7
159.08069	0.7
159.11684	2.4
160.05211	5.1
161.06001	1.0
161.09668	0.8
161.13281	1.7
163.03909	4.3
163.14865	0.6
169.06493	0.5
171.11641	0.5
173.05960	2.4
173.09615	2.1
173.13271	1.2
175.03914	11.0
175.14798	0.6
177.12773	0.5
181.09988	0.6
183.08070	0.8
185.09689	0.5
185.12987	0.4
187.14810	0.7
189.05492	0.5
189.09076	0.8
193.04936	5.7
197.09650	0.6
199.14796	0.6
201.05478	60.0
201.09097	5.2
201.16357	0.8
202.05724	0.6
214.06320	2.1
215.07066	1.4
215.10719	1.5
219.06537	17.9
219.17482	0.9
229.19525	0.9
232.07300	1.3
234.11790	0.4
241.08752	0.5
243.10185	49.6
244.10495	0.9
247.20645	1.2
258.17734	0.5
261.11227	100.0
261.29492	0.4
262.11578	1.3
269.22629	1.1
287.09622	0.5
287.23630	2.3
305.10211	5.4
305.15891	0.6
305.24680	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	305.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.8
53.35872	0.5
55.01877	5.3
55.05515	2.9
57.07082	0.6
67.05501	1.8
68.99757	0.5
69.07081	4.8
69.27428	4.3
73.02908	2.3
77.20930	0.5
79.05500	6.8
81.07064	7.1
83.04990	1.0
83.08607	1.2
85.06561	1.3
88.79148	0.5
91.05489	3.3
93.07047	2.3
95.04981	1.5
95.08588	3.5
97.06541	7.6
97.10123	0.6
98.06896	0.6
98.20703	1.1
98.97591	0.5
103.05473	0.9
104.06232	1.1
105.07027	2.7
107.04961	3.0
107.08582	2.7
109.10126	1.6
116.50661	0.6
117.03391	0.6
117.07014	1.0
119.04906	0.8
119.08604	1.9
121.10136	2.1
123.04430	2.6
123.08121	0.6
123.11732	1.0
125.09689	0.7
129.06998	0.8
131.04912	1.6
131.08571	0.7
132.05701	0.8
133.06523	1.1
133.10106	1.6
134.03645	0.7
135.04433	2.1
135.11703	1.8
137.05975	1.0
139.03853	0.5
141.42450	0.6
145.02856	0.6
145.06474	1.3
145.10141	0.9
147.04420	3.9
147.08012	0.7
147.11725	1.0
149.05939	0.5
155.08563	0.7
157.06409	0.8
159.08096	0.7
159.11694	1.1
160.05197	5.2
161.05992	1.1
161.13269	1.4
163.03923	4.3
163.14766	0.7
165.55319	0.6
173.06000	2.8
173.09637	1.7
175.03929	9.1
185.13268	0.6
186.06818	0.6
187.14746	0.7
189.09180	1.1
193.04991	4.8
197.09677	0.7
201.05481	54.0
201.09097	5.5
206.05786	0.7
214.06166	1.4
215.07039	1.1
215.10684	1.2
219.06543	15.9
231.10333	0.6
243.06503	0.7
243.10193	43.1
261.11237	100.0
262.11588	1.0
263.10294	1.0
287.09393	0.8
287.23721	1.6
290.69901	0.6
300.58911	0.5
305.10165	8.2
305.24652	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.9
53.17579	0.4
55.01868	4.7
55.05518	2.6
57.07061	0.5
65.03937	0.6
67.05512	2.5
69.03400	0.5
69.07071	5.9
71.04996	0.8
71.10357	0.7
73.02919	2.3
79.05502	7.2
81.06593	0.6
81.07056	8.2
83.04974	0.6
83.08621	0.7
85.06548	1.1
89.03944	0.6
90.17313	0.4
91.05079	0.3
91.05499	3.8
93.07050	2.6
95.04975	1.2
95.08622	3.5
97.06532	13.3
97.10233	0.4
98.06877	0.6
101.06055	0.4
103.05459	1.1
104.06258	0.6
105.07020	2.6
107.04964	3.2
107.08617	2.3
109.02814	0.6
109.06559	0.5
109.10164	2.7
111.04449	0.5
115.05478	0.4
117.03384	0.6
117.06993	1.4
119.04975	1.1
119.08578	1.9
121.02873	0.4
121.06578	0.4
121.10149	2.0
123.04435	1.7
123.11719	0.7
125.09653	0.7
127.36122	0.4
128.06221	0.8
129.07004	0.7
131.04921	1.6
131.08585	1.0
132.05710	0.7
133.06494	1.6
133.10143	1.6
134.03629	1.5
135.04424	3.0
135.11726	0.9
137.06018	0.4
139.03963	0.7
139.11151	0.8
141.06895	0.4
143.08565	0.9
144.05656	0.5
145.06458	1.4
145.10138	1.1
147.04459	2.7
147.08069	0.6
147.11694	1.2
149.05930	0.4
149.13278	0.9
149.65718	0.4
155.08588	0.7
158.07312	0.8
159.04420	0.7
159.08054	0.9
159.11691	1.3
160.05197	4.0
161.06015	0.6
161.09636	0.7
161.13252	0.9
163.03906	5.3
163.14804	1.0
169.10164	0.6
171.07973	0.8
173.05957	2.6
173.09631	1.6
173.13257	1.0
175.03915	9.1
175.14850	0.9
179.08443	0.4
183.08109	0.5
187.14841	1.0
189.05447	0.6
189.09076	0.6
193.05000	4.8
197.09718	0.5
201.05479	54.8
201.09084	5.5
201.16382	0.6
202.06114	0.8
203.08307	0.7
203.17931	0.4
213.16501	0.5
214.06305	2.1
214.08470	0.6
215.07018	1.5
215.08986	1.9
215.10666	0.9
217.09641	0.6
219.06552	14.3
230.68745	0.4
231.10248	0.6
232.07335	1.1
233.08067	0.5
235.94150	0.4
243.10182	43.5
244.10599	0.5
244.22795	0.6
259.09641	1.7
261.11230	100.0
262.11609	1.1
269.13660	1.1
269.22644	0.7
287.09109	0.5
287.14658	2.8
287.23639	1.5
305.10214	10.9
305.13828	0.6
305.15366	0.8
305.24783	3.0
306.26419	1.0
312.19772	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70394	0.9
53.50706	0.9
55.01853	1.0
56.96312	1.5
56.96573	28.1
57.03440	1.3
59.34283	0.9
61.02924	2.2
69.03415	3.1
70.06575	2.4
70.86641	2.6
70.97800	1.0
70.98135	12.8
70.99858	1.1
71.95235	1.7
73.02907	1.6
81.03427	1.1
82.99864	4.3
84.08160	1.4
84.96027	3.0
85.02917	5.3
86.09704	1.7
88.99156	3.0
97.02877	1.7
98.97594	30.4
100.99169	1.1
101.00892	24.1
102.96857	0.9
103.00650	1.4
103.02470	1.4
105.03404	1.1
107.04948	3.9
110.97576	5.0
111.97845	0.9
112.99154	1.3
113.00866	5.1
114.05504	1.1
115.00623	1.0
115.02428	6.0
115.05859	0.9
116.98624	10.3
117.04001	3.6
119.01052	1.4
119.01931	25.0
121.01687	1.3
122.01344	1.4
124.95480	4.0
124.99129	2.1
125.00889	1.5
126.95469	5.5
126.96973	1.0
127.02402	4.3
127.03909	1.1
128.02347	1.0
128.98596	5.2
129.00354	1.6
131.00217	2.6
131.01915	13.1
133.01659	1.9
133.03464	4.5
134.99657	3.7
135.05038	1.5
136.06155	2.6
137.01898	1.2
137.02939	1.9
137.05991	3.3
139.00763	1.1
139.02415	6.6
140.98615	1.8
141.03976	2.0
142.94942	3.9
142.96547	3.4
143.00153	3.0
143.01920	23.2
144.98073	2.1
145.01711	1.5
145.03503	9.3
146.99670	6.1
147.01392	1.6
149.01195	1.7
149.02945	2.0
151.02480	1.7
152.95003	1.0
154.01363	1.0
155.01903	11.9
157.03484	25.8
158.99622	5.4
159.05045	10.5
160.97627	1.1
161.01152	1.5
161.01427	1.7
161.02977	31.4
162.99159	1.1
163.02704	1.2
163.03899	2.5
165.00600	1.7
165.04008	2.7
166.94952	1.7
167.01900	8.0
167.03076	2.4
169.03506	10.9
170.96074	2.2
170.99843	1.3
171.01364	1.1
171.04991	4.1
172.94385	2.0
172.96294	1.3
172.97562	5.5
173.01358	1.7
173.02971	11.9
173.06731	1.0
174.99094	4.3
175.03102	1.1
175.04552	5.5
177.00706	2.5
179.04170	1.8
181.03468	2.3
183.05016	1.2
184.95988	6.5
184.97548	2.2
185.02975	64.2
185.09303	2.0
186.09555	2.2
186.99178	1.9
187.02864	1.8
187.04527	7.1
188.97063	4.2
189.00693	2.4
189.02354	1.4
190.98640	7.4
191.02168	2.2
191.03897	1.6
193.00235	2.3
195.05026	3.3
196.96146	1.2
197.02991	10.4
198.08893	1.0
199.04590	1.4
201.00684	3.2
201.02371	1.4
202.97015	2.1
202.98677	4.8
203.04033	100.0
204.04204	2.1
205.00249	3.5
206.98189	1.7
207.01747	1.3
208.96193	1.4
209.03091	1.1
212.96945	1.1
214.98624	3.0
215.02100	1.8
215.04034	19.6
217.00278	1.4
217.05576	1.4
219.01823	2.4
220.99690	4.2
221.03047	2.0
221.05025	3.5
223.01239	2.0
223.04724	1.1
224.02351	1.1
226.05585	2.0
226.08650	4.1
226.97003	1.7
227.04077	3.9
230.98155	3.4
231.03511	1.4
232.96492	2.8
232.99707	4.3
233.05109	10.6
235.01286	1.2
235.06805	1.0
237.02620	2.1
242.08174	1.8
243.08954	1.2
244.97830	1.4
244.99937	1.5
245.02930	1.5
245.05125	15.9
248.99155	2.4
249.02560	1.1
251.06148	1.3
257.97699	1.5
263.00775	6.6
263.03354	1.7
263.06168	3.6
267.03497	1.8
270.07462	1.7
275.06155	8.8
281.01828	6.1
287.14206	2.2
291.03525	2.0
299.98633	1.1
305.02087	2.6
305.07117	9.7
305.11481	4.3
306.69073	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.1
55.05269	0.6
55.05514	7.2
56.89210	0.3
65.03934	0.5
66.53024	0.4
70.06591	0.5
70.73740	0.9
72.08158	5.4
73.06557	9.6
77.03934	1.5
81.03411	0.4
82.24823	0.3
86.06066	5.9
88.07626	5.0
92.05006	11.2
94.06579	2.1
95.04968	3.9
98.06043	1.0
100.07621	100.0
104.05000	4.4
105.04507	2.1
116.07102	1.1
120.04470	73.7
122.06034	28.5
122.07317	0.5
142.93886	0.4
143.08179	1.1
145.03996	0.5
146.02391	0.6
147.05544	1.7
152.07047	0.5
163.05005	2.9
185.12825	2.1
190.06111	4.3
211.10863	0.5
219.11290	10.6
232.10829	1.8
262.11920	5.6
286.77573	0.5
304.16562	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	305.0181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14334	0.9
56.05024	0.9
56.96568	32.2
57.03432	1.9
57.34097	0.9
59.55841	0.9
67.79398	0.9
69.03423	2.6
70.06589	1.6
70.21303	3.8
70.98129	13.8
71.95254	3.6
72.93810	0.9
73.02909	1.9
81.03437	1.1
82.99854	4.5
84.96022	3.0
85.02900	5.5
86.06086	1.2
86.09724	2.1
86.99341	1.7
88.99165	3.2
97.01409	1.1
97.02888	2.3
97.28972	0.9
98.21349	1.2
98.97588	34.9
101.00211	1.5
101.00881	21.9
103.00643	1.5
103.02440	1.1
107.04959	3.0
110.97545	6.5
112.99142	1.7
113.00873	5.7
114.05578	1.4
115.00705	1.6
115.02457	5.5
116.98640	12.8
117.03987	3.2
119.01923	22.4
124.95507	5.2
124.99126	2.7
125.00868	1.6
126.95463	4.6
127.00774	0.9
127.02440	3.0
127.03883	1.7
128.98608	5.9
131.00174	2.4
131.01904	12.4
133.01724	1.8
133.03471	4.4
134.99661	3.9
135.05048	2.7
136.06172	2.3
137.02928	1.1
137.05962	2.8
138.95441	1.5
139.02411	6.3
140.98601	2.4
141.03931	2.2
142.94942	3.4
142.96506	2.7
143.00227	5.2
143.01907	23.9
144.98109	2.1
145.01680	2.3
145.03479	7.0
146.99629	3.9
147.01407	1.7
149.01224	2.1
152.95012	1.0
154.95135	1.1
154.96544	3.2
155.01904	10.7
156.98128	1.6
157.03462	24.9
158.02499	1.5
158.52603	1.0
158.99623	5.0
159.05038	9.4
160.97549	1.7
161.01459	2.1
161.02957	27.4
162.99132	2.0
165.00803	2.1
166.94919	1.9
167.01831	5.9
169.03464	8.8
170.96030	4.0
170.99632	2.4
171.05034	2.4
172.94405	1.9
172.97577	6.3
173.01231	3.0
173.02962	11.0
174.99150	4.2
175.04562	4.6
177.00714	3.5
177.02332	1.1
177.06125	1.4
179.01956	1.6
179.04099	1.3
184.96014	7.3
184.97569	2.5
185.01318	2.3
185.02954	67.0
185.09285	2.2
186.09587	2.3
186.99139	2.0
187.04515	5.2
188.97057	8.6
189.00723	4.2
189.02359	1.4
190.95375	1.3
190.98622	7.3
191.02246	1.7
191.03923	1.8
193.00215	3.6
193.03561	1.9
195.05052	2.8
196.96056	1.5
197.02943	8.9
201.00708	1.6
202.97095	2.0
202.98810	6.4
203.04016	100.0
204.04247	1.4
204.43552	1.2
205.00256	5.1
206.98116	4.0
207.01787	2.4
208.96021	1.4
208.99724	1.4
209.03076	1.6
212.97072	1.9
214.96889	1.5
214.98677	3.5
215.03992	15.3
217.00241	1.6
219.01756	2.2
220.99734	4.7
221.05074	3.6
226.05658	1.9
226.08646	2.6
226.96889	1.6
227.00471	1.1
227.04091	2.1
230.98105	8.4
232.96536	1.6
232.99689	4.2
233.05063	9.0
235.01324	2.0
237.02629	2.4
244.99748	2.7
245.05156	16.1
248.99199	2.2
249.02605	2.1
257.97687	1.5
263.00809	8.4
263.06131	3.1
267.03476	1.9
275.06128	6.8
281.01852	7.6
287.06409	1.4
291.03589	1.3
299.02859	1.3
299.98541	1.4
305.01987	3.7
305.07007	7.9
305.11459	3.4
323.06503	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1545
Annotation	11alpha-Hydroxygalanthamine
Peak:m/z	Relative Intensity
55.05501	2.0
67.05497	5.3
69.07060	3.8
69.17555	3.8
69.17976	5.6
70.06599	1.2
71.04981	1.3
79.05499	5.4
80.05841	1.0
81.07047	3.3
82.06699	0.8
82.07325	1.1
85.06560	1.1
87.02688	3.2
91.05466	5.6
93.07030	1.5
94.06536	0.9
95.04938	2.1
95.08612	2.4
96.08127	1.0
96.08953	1.4
97.06535	14.1
97.07608	1.3
103.05477	0.9
105.07038	2.6
106.07294	1.2
107.04960	1.9
107.08600	2.8
108.08963	1.7
115.05460	2.2
116.05295	5.3
117.07021	17.5
119.04958	2.2
119.08609	1.9
124.73494	0.9
125.09618	1.2
128.06209	3.1
129.07040	1.4
131.08537	3.3
133.06519	1.3
134.05960	0.9
134.10439	1.8
137.05963	9.3
140.07083	1.9
142.60684	1.1
143.06387	3.1
143.08566	8.3
144.87517	0.9
145.06523	5.0
145.10127	1.4
146.10458	1.2
146.86012	0.9
147.04427	1.6
148.12109	1.4
155.08472	4.8
157.10139	1.4
158.09608	2.2
159.08035	2.5
159.11711	1.4
161.13301	0.9
163.03885	1.1
164.07101	1.0
169.10223	1.0
171.08051	12.9
173.05942	4.9
175.03893	1.6
176.10570	1.1
177.11105	1.1
178.11292	1.3
180.09357	2.1
185.09573	1.5
185.11023	7.1
186.09138	2.2
188.15108	1.1
189.09175	1.4
189.92688	0.9
195.11656	2.7
197.13373	2.4
200.15129	2.1
201.05518	7.6
201.09155	1.0
212.14420	1.9
214.08633	70.3
218.16283	0.9
219.06564	2.5
222.12634	1.2
223.11192	1.0
226.08669	3.1
233.11726	4.7
235.09933	2.8
240.13887	3.1
243.10320	5.6
250.12242	1.0
258.15030	1.1
260.12894	3.5
261.11212	13.2
262.09949	1.6
268.13336	42.9
268.21359	1.2
286.14386	100.0
286.22446	3.8
304.05344	3.8
304.15176	10.1
304.18387	9.0
304.23431	10.6
305.10248	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06686	0.6
52.66366	0.4
55.01878	0.8
56.05040	11.2
56.96562	1.8
57.03428	2.1
58.06606	6.1
60.04511	0.7
61.02657	0.6
61.02933	7.5
67.15762	0.5
68.05039	3.6
69.03416	2.3
70.06597	14.1
71.04993	0.8
71.48026	0.5
72.08145	1.8
73.02937	2.9
74.02443	1.1
74.06070	1.7
82.06590	1.2
84.04509	1.6
84.08144	1.9
84.95965	0.6
85.02919	5.5
85.07676	4.2
86.06076	17.1
86.09662	0.5
88.03979	0.8
91.05452	0.7
96.08113	0.7
97.02877	2.5
97.07650	0.5
98.09678	1.6
98.97603	3.8
99.04475	0.5
99.09225	0.6
100.03983	4.6
100.11916	0.5
101.00848	2.4
102.05560	7.6
107.04945	0.9
109.02866	0.6
110.01314	0.6
110.97586	0.6
111.02901	0.7
111.09238	1.6
113.00874	1.3
113.07154	1.1
114.05538	51.2
116.98602	1.3
119.01869	2.8
119.52042	0.5
123.04434	1.7
124.07600	6.8
127.03939	2.2
127.08701	0.7
128.07104	2.7
128.52499	1.0
128.98602	1.2
129.06616	4.7
130.05022	1.9
131.01900	1.6
139.08633	2.5
140.07033	0.8
141.06615	1.0
141.10243	10.4
142.08632	7.0
143.01906	1.7
145.03506	0.9
145.04921	1.2
145.09708	2.8
150.05478	0.5
151.08682	1.5
155.01869	1.1
157.03461	1.0
157.06134	1.1
157.09729	5.5
158.08163	0.5
158.99611	1.3
159.11209	0.6
161.02933	2.2
163.03955	1.2
168.06520	0.9
168.11349	3.5
168.99803	1.0
169.03529	0.7
169.09727	1.0
170.99623	0.5
173.02982	1.6
175.03453	2.3
175.11879	1.0
175.53589	0.5
182.53639	0.6
185.02971	1.7
185.09229	100.0
186.07629	4.7
187.00874	1.2
189.00830	0.8
191.04089	0.8
192.04681	0.5
196.03972	1.4
196.10846	4.8
196.99306	0.6
198.04636	0.6
200.04512	0.8
201.05113	0.5
203.04015	2.2
203.10278	4.3
205.04500	3.1
213.03352	1.3
213.53641	2.0
214.05872	1.0
214.11952	2.0
215.00409	1.3
215.03897	0.7
215.10266	1.8
219.01727	0.7
221.02963	1.1
221.04944	0.7
240.13457	5.8
241.96829	0.8
242.09264	0.7
245.05243	1.0
247.03020	0.7
249.02759	0.6
258.14551	2.1
263.04172	0.7
268.12997	2.1
281.05103	0.6
286.13992	50.0
289.03894	0.8
304.03140	0.9
304.08136	1.2
304.15073	8.7
305.02640	0.7
319.10928	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	2.2
56.05038	1.2
58.99577	1.0
65.79771	0.6
70.06602	3.6
70.40942	2.0
71.81992	0.6
77.17669	0.7
84.08163	0.7
85.01144	0.7
87.02697	47.0
89.04227	0.7
95.08622	2.2
97.01093	0.6
97.07659	16.3
100.02191	0.8
100.69349	0.6
106.06560	4.6
112.11227	2.3
114.03762	1.6
116.05322	52.9
117.07013	1.0
120.26118	0.7
128.05339	3.7
129.07349	2.8
142.91423	0.6
143.06390	48.9
151.45013	0.7
157.04323	1.3
185.11089	100.0
186.99564	0.7
214.05548	0.6
214.08562	2.0
225.65851	0.7
241.41902	0.9
262.10132	19.8
268.13361	1.5
286.14407	2.3
304.14795	54.0
305.15228	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.3
55.01877	3.0
55.05514	1.5
57.03438	4.3
59.98023	1.5
60.04535	9.7
61.02929	3.7
69.03434	15.5
69.07072	42.2
70.06599	1.5
70.08066	2.8
70.08443	4.3
71.04990	1.5
71.08633	22.0
73.02904	2.0
81.03426	10.3
83.08633	1.3
84.04517	2.5
85.02913	78.6
86.02433	7.8
87.04481	1.8
91.03985	1.2
91.45960	1.2
96.08142	5.2
97.02900	49.3
97.06548	5.2
99.04456	1.9
103.03947	8.1
109.02890	14.6
109.83974	1.2
114.09175	20.0
127.03912	17.0
138.09073	2.9
138.43120	1.2
142.08646	100.0
145.04976	6.0
154.08565	1.4
156.10231	3.1
168.08884	2.9
173.06020	2.8
174.06329	2.7
180.10147	1.3
181.38593	1.2
184.09702	83.6
188.07469	1.5
196.08435	3.6
208.09689	18.7
214.09503	3.8
217.11093	1.2
220.09752	2.3
238.10774	3.3
250.10773	10.9
259.39346	1.3
259.96902	1.2
260.09995	2.0
286.13223	2.4
304.08939	2.8
304.15021	1.9
305.15671	5.3
326.67392	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.232
Annotation	(5Z,8Z,11Z,14Z,17Z)-Icosapentaenoic acid
Peak:m/z	Relative Intensity
53.03942	2.6
55.05516	21.2
57.07066	6.6
59.04985	2.7
65.03928	2.6
67.05508	34.5
67.56233	2.1
69.03421	3.1
69.06728	3.1
69.07072	33.0
69.37334	16.9
71.04985	8.0
71.58813	2.6
72.37838	2.0
77.03925	2.5
79.05495	22.4
81.07061	63.5
83.04961	2.9
83.08612	9.4
85.06538	5.8
91.05484	22.1
93.06488	4.4
93.07050	51.5
95.04951	7.0
95.08613	77.0
97.06528	9.5
97.10166	8.6
99.08080	3.7
105.06329	2.3
105.07040	50.2
107.08602	83.4
109.06544	12.0
109.10162	55.0
111.08060	4.9
111.11713	3.7
113.09692	3.2
117.07009	5.9
119.08589	57.3
121.06565	3.7
121.10150	58.0
123.08048	5.7
123.11709	23.6
123.91230	2.2
125.05985	3.5
125.09610	5.1
131.08554	16.5
132.66466	2.5
133.10147	42.1
135.08060	7.4
135.10690	4.1
135.11694	52.1
137.02382	2.9
137.09627	8.0
137.13264	13.5
139.11212	3.7
143.08556	5.0
144.09276	2.9
145.10132	25.3
147.07990	2.6
147.11693	38.6
149.09628	4.6
149.13283	18.9
153.01834	3.1
153.09062	4.7
157.10097	7.9
159.11699	26.5
160.41991	2.1
161.09619	6.0
161.13245	26.0
163.11168	4.2
163.14832	10.6
165.09142	2.7
165.12776	5.8
167.10631	3.1
169.10110	4.1
171.11684	9.4
173.13260	19.8
175.11205	5.0
175.14799	22.0
177.12759	7.6
177.16370	3.7
179.10699	2.6
183.11671	3.9
185.13271	5.4
187.11194	2.7
187.14873	12.4
189.12724	3.2
189.16402	7.7
191.10683	2.5
191.14290	3.6
193.12257	6.1
193.16008	5.7
199.14754	4.6
199.22174	2.6
201.16399	10.9
203.14326	2.3
203.17950	30.0
205.15872	2.8
207.13771	2.8
211.14861	5.2
215.17912	5.0
217.09520	3.0
217.15825	3.4
227.17992	6.1
229.15817	3.2
233.15375	5.2
233.73048	2.1
243.21062	11.5
245.19034	2.8
247.17088	5.9
257.22668	21.3
267.21091	8.3
285.22128	33.0
303.05078	18.3
303.16864	15.3
303.23184	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2319
Annotation	Eicosapentaenoic acid
Peak:m/z	Relative Intensity
51.41877	2.7
52.32211	2.0
55.05511	21.2
57.07066	5.5
67.05509	27.7
69.03434	2.9
69.07074	35.0
70.05282	10.3
71.04982	8.2
79.05505	19.3
81.07056	55.7
83.08612	10.4
85.06528	6.7
87.01151	2.2
87.04451	2.3
88.45231	2.6
91.05482	19.4
93.06490	3.5
93.07053	52.0
95.04984	10.8
95.07995	2.7
95.08604	74.4
97.06520	7.5
97.10153	8.8
105.07034	47.2
107.08596	78.5
109.06521	4.0
109.10157	58.3
111.08115	2.5
111.11713	2.7
113.09670	4.6
115.98414	2.0
117.07020	7.4
119.08585	49.5
121.06477	6.7
121.10147	49.3
123.08080	6.3
123.11736	19.8
125.09623	5.6
129.07007	2.6
131.08542	14.2
133.10138	40.7
135.08081	3.9
135.11699	42.1
137.09621	8.1
137.13268	6.1
139.11153	4.6
143.08522	7.5
145.10147	21.8
147.07982	3.0
147.11703	40.0
149.09505	3.6
149.13297	16.2
151.11211	2.8
153.01903	2.8
157.10132	9.6
158.10953	2.5
159.08018	2.7
159.11707	68.9
161.09543	4.6
161.13272	19.2
163.11211	5.6
163.14847	4.8
164.32639	2.6
165.12747	6.7
165.21422	2.3
169.10094	2.7
171.11671	10.3
173.13258	22.6
175.11209	7.4
175.14847	19.3
177.12741	8.5
177.16429	3.5
183.11729	3.8
185.13283	3.7
187.14868	12.8
189.12737	3.0
189.16351	8.2
191.14235	2.4
197.13177	2.9
199.14841	9.3
201.07741	3.0
201.12752	3.0
201.16417	13.6
202.08247	6.3
203.17984	32.4
205.12163	2.7
207.13832	5.0
214.09433	3.7
215.18010	7.5
217.14536	1.9
217.15938	20.6
226.08554	2.2
227.17955	8.1
229.04999	3.1
229.15871	3.7
231.12061	10.4
241.19577	2.9
243.17557	3.8
243.21031	12.2
247.16943	7.8
257.22659	20.5
267.21152	7.2
275.11069	10.5
285.22141	31.8
303.05075	19.5
303.14120	13.9
303.19711	5.1
303.23175	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.232
Annotation	5Z,8Z,10E,12E,14Z-Eicosapentaenoic acid
Peak:m/z	Relative Intensity
53.03943	1.1
55.01867	1.1
55.05508	4.5
57.07067	1.8
59.04979	0.8
65.03942	0.9
65.26833	0.5
67.05237	0.6
67.05509	6.3
68.99786	2.0
69.03439	1.4
69.07071	7.1
70.06596	0.7
71.04996	9.6
71.48867	1.0
72.93781	0.7
79.05492	4.8
81.03429	1.3
81.06596	0.8
81.07056	11.5
81.95009	0.6
82.62097	0.5
83.04973	1.7
83.08604	2.8
85.06544	3.8
91.05480	6.9
93.03416	0.8
93.06488	0.9
93.07050	13.3
95.04987	3.1
95.08614	15.3
95.09150	0.6
97.06535	6.1
97.10165	1.4
98.06870	1.4
99.08111	3.1
105.07036	11.1
106.06511	0.9
107.04968	0.8
107.08598	15.5
109.02863	0.9
109.06504	1.9
109.10164	10.4
111.00803	2.3
111.08058	1.7
113.09645	1.1
115.05484	0.7
117.06983	3.6
119.04990	0.7
119.08576	15.4
121.02878	2.0
121.06485	1.4
121.10143	9.2
123.04440	1.2
123.08064	3.7
123.11711	3.7
125.09625	3.1
127.11201	4.7
128.06241	1.2
129.07021	2.9
131.08575	7.9
132.95860	0.9
133.06499	0.6
133.10121	10.7
135.04391	1.1
135.08067	5.9
135.11702	5.3
137.02364	8.0
137.05969	1.2
137.09607	2.3
139.07544	0.7
141.06932	1.1
142.07770	1.7
143.08560	5.6
144.09308	1.4
145.06461	1.2
145.10126	10.9
145.66385	0.5
147.06766	3.4
147.08051	1.7
147.11705	8.0
148.07123	2.5
148.26077	0.6
149.09575	2.9
149.13252	5.1
151.11159	1.4
153.01817	8.5
153.12787	0.8
155.04886	0.9
155.08594	1.6
156.09360	2.0
157.10143	9.9
158.10880	1.7
159.08081	1.1
159.11702	15.0
159.13051	0.8
161.05960	1.3
161.09630	2.0
161.13284	4.8
163.03899	1.5
163.11134	3.8
163.14815	3.5
165.01814	4.3
165.12738	2.4
167.14343	2.2
168.05707	0.7
168.09320	0.6
169.10056	2.9
170.10933	1.2
171.11661	7.3
173.05988	2.6
173.13271	11.0
175.11195	2.1
175.14845	6.8
176.07053	0.6
176.10620	0.7
177.07776	1.7
177.11075	2.2
177.12753	2.4
177.16582	0.5
178.08189	2.1
179.14259	1.3
181.10156	1.1
181.15895	0.8
183.02919	1.5
183.04422	1.2
183.11728	2.1
184.07423	0.7
184.12373	1.5
185.13286	3.9
187.03918	1.3
187.07555	0.5
187.11166	0.7
187.14801	5.0
189.12801	1.8
189.16389	1.7
191.07089	0.9
196.12498	0.8
197.13263	2.7
199.07536	0.9
199.14838	11.3
201.05489	4.0
201.12712	1.1
201.16371	2.1
203.12537	1.4
203.14354	1.5
203.18074	0.9
205.10678	0.8
205.15907	2.1
206.11636	0.6
208.63342	0.6
211.14830	3.6
213.16397	2.5
215.08575	0.6
215.14238	0.8
215.18021	2.6
216.10291	1.0
217.10548	1.5
217.15883	16.6
219.06450	0.7
225.16354	2.1
227.17984	2.0
228.14726	1.1
229.04964	10.9
229.15932	2.1
231.17546	1.4
233.19099	0.9
234.99136	0.8
239.14561	0.6
239.17815	0.6
241.19342	2.9
243.17479	1.4
243.21065	2.6
245.18929	1.6
247.06107	1.4
247.16998	0.8
257.04459	5.7
257.12708	1.7
259.15189	1.6
259.20670	1.6
261.22162	0.8
267.21143	5.2
271.15326	1.5
273.13544	1.0
273.22443	0.7
274.04776	1.2
274.13956	6.4
275.13864	0.7
285.04001	2.4
285.12180	3.3
285.22134	15.7
296.82306	0.7
303.05002	100.0
303.13638	3.4
303.17844	43.2
303.23181	34.1
304.05212	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	303.2318
Annotation	5,6-dehydro Arachidonic Acid
Peak:m/z	Relative Intensity
55.05511	13.8
57.07066	4.4
60.60464	1.4
66.68678	1.5
67.05509	17.1
69.07072	15.0
70.06510	6.7
71.04973	3.8
79.05499	8.1
81.07056	20.4
83.08604	7.2
85.06512	1.6
85.10172	2.5
91.05501	10.3
93.07039	19.3
95.04959	4.5
95.08612	100.0
97.06536	2.4
97.10146	4.2
99.08135	1.5
105.07033	19.2
107.04943	1.9
107.07889	2.3
107.08598	32.3
109.10159	29.7
111.08090	2.0
113.06059	1.8
117.07033	5.0
119.08591	31.9
120.08923	2.8
121.06513	1.8
121.10151	23.0
123.08054	4.3
123.11691	9.0
127.07520	1.8
129.07076	1.6
131.08594	4.9
133.10130	24.8
135.08032	2.0
135.11713	19.4
137.09616	3.2
137.13249	2.7
141.09151	3.2
143.08549	2.4
145.10129	12.2
147.08057	1.6
147.11719	14.8
149.13232	8.7
157.10149	4.2
158.10791	1.6
159.11678	12.9
161.09668	2.3
161.13261	17.1
163.14832	10.3
169.10194	2.6
171.11697	4.7
173.09653	2.0
173.13284	15.8
175.11188	2.8
175.14847	8.0
177.16463	3.0
183.11575	2.5
185.13396	2.0
187.14806	11.4
189.12822	2.7
189.16417	8.5
201.12784	2.2
201.16426	8.4
203.17999	20.5
207.13802	6.0
211.14906	3.2
215.14351	2.9
215.18004	3.4
216.10033	1.9
217.10495	2.1
219.13748	2.8
221.15346	2.4
225.61194	1.9
227.17973	6.6
228.14761	3.0
229.15923	3.9
233.15343	6.2
243.17580	2.2
243.21104	4.7
245.18993	3.7
247.17009	3.0
256.78564	1.9
257.22681	21.5
267.21097	4.3
271.15320	3.6
285.22147	14.8
303.01755	2.7
303.04947	12.3
303.17743	6.2
303.20224	3.0
303.23190	50.8
303.26837	2.4
303.30695	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2319
Annotation	Eicosapentaenoic acid
Peak:m/z	Relative Intensity
53.03933	3.2
53.76264	0.8
55.01871	1.1
55.05515	14.9
57.07061	3.7
65.03916	1.2
67.05511	27.1
69.07072	13.9
71.00670	2.6
71.04986	2.8
77.03925	1.1
79.05077	1.5
79.05500	20.5
81.06599	1.4
81.07059	23.2
83.04977	3.1
83.08592	3.1
85.06525	2.9
85.10164	0.9
85.76649	0.8
91.05488	52.7
93.07052	20.6
95.04926	1.0
95.08611	14.2
97.06522	1.6
101.06000	2.8
103.05444	2.8
105.07037	52.3
107.08595	10.1
109.06500	1.3
109.10169	4.9
115.05437	1.6
116.06206	1.0
117.07029	22.1
118.07793	0.9
119.08592	32.4
121.06500	2.5
121.10155	5.6
123.08055	1.5
123.11716	3.1
128.06247	1.6
129.07005	13.0
131.07602	1.9
131.08577	34.8
133.06514	1.0
133.10136	15.5
135.08041	1.3
135.11691	3.3
137.13223	3.0
141.07028	7.2
143.08562	7.4
144.09326	1.0
145.10136	21.1
147.08040	2.3
147.11690	7.0
149.09612	3.5
149.13263	2.1
155.08557	6.1
156.09363	1.2
157.10147	15.5
159.08012	1.3
159.11696	10.6
161.09665	2.6
161.13284	6.5
161.14450	0.9
163.14803	1.1
169.10146	5.9
171.11740	6.4
173.09599	3.4
173.13277	7.7
175.11131	2.0
175.14792	7.8
177.09169	1.2
179.10681	1.9
183.11748	10.2
185.13231	2.2
187.11246	5.8
187.14824	3.4
189.12836	1.1
189.16380	3.9
191.10696	3.3
197.13289	4.2
199.14725	1.2
201.12747	9.9
201.16386	6.3
203.18002	2.0
205.12199	2.7
211.14902	2.2
212.30389	1.0
213.16411	1.4
215.14305	3.4
215.17918	2.4
219.13835	7.1
225.16270	1.1
227.17952	3.1
229.15865	1.7
233.15445	5.5
241.19429	4.7
243.17450	1.1
243.21069	4.5
247.16881	2.3
257.19022	1.9
267.21078	8.8
285.22134	13.2
303.05005	3.5
303.23193	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2318
Annotation	Eicosapentaenoic acid
Peak:m/z	Relative Intensity
53.03957	1.6
55.05512	10.5
57.07068	3.8
59.98040	1.2
65.03941	1.6
67.05508	35.6
69.07066	12.7
70.54515	2.1
71.04983	2.8
79.05493	18.3
81.06594	2.2
81.07056	31.0
83.04973	2.1
83.08613	4.2
85.06543	2.2
91.05482	57.9
93.07043	22.9
95.08608	21.9
97.06528	1.2
97.10159	1.8
105.07034	36.7
107.08603	16.9
109.10145	6.1
115.05459	1.6
117.07021	24.2
119.08586	27.5
121.06520	2.7
121.10145	8.7
121.66106	1.1
123.08117	1.3
123.11702	7.1
128.06198	2.1
129.07010	13.2
131.08563	31.4
133.10144	18.2
135.02664	1.1
135.08084	5.6
135.11682	6.2
137.13220	3.9
139.07539	1.5
141.01671	1.0
141.07008	10.4
143.08557	7.3
145.10138	25.1
147.08046	3.7
147.11722	8.6
149.09613	5.0
149.13255	4.6
151.14903	1.6
153.09052	2.6
155.08585	5.9
157.10133	7.6
159.08057	3.4
159.11678	13.1
161.09618	3.5
161.13255	8.9
163.14761	1.8
167.10706	3.3
169.10121	11.8
171.11699	5.0
173.09660	4.7
173.13245	6.8
175.14812	7.1
177.09163	1.7
177.16322	1.4
179.10638	1.6
183.11671	9.3
185.13297	3.4
187.11214	9.6
187.14806	3.3
189.12756	1.9
189.16376	6.3
191.10599	2.8
197.13257	5.3
199.14908	1.9
201.12756	10.7
201.16425	3.7
205.12306	4.0
207.13800	1.9
211.14917	2.4
213.16463	1.5
215.14330	3.0
215.17886	2.1
219.13817	4.5
219.17508	1.2
221.15401	2.9
225.16414	1.5
228.14622	1.3
229.15958	1.4
233.15465	4.3
239.17911	1.9
241.19568	4.2
243.21098	7.7
247.16942	3.0
257.19025	7.4
267.21112	8.4
270.17325	1.2
271.15161	1.8
285.22098	14.6
303.05032	4.0
303.17688	3.1
303.23187	100.0
303.30505	3.2
304.23441	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2319
Annotation	Eicosapentaenoic acid
Peak:m/z	Relative Intensity
51.06740	1.8
51.23472	1.9
55.05497	7.0
57.07059	7.0
67.05508	16.1
69.07068	21.5
69.21539	13.7
69.21944	5.0
70.06590	5.5
71.04990	22.1
74.71424	2.0
79.05489	13.4
81.07062	32.7
83.04991	3.2
83.08599	6.7
85.06538	5.2
88.07619	8.9
89.07915	2.4
91.05479	14.2
93.06588	2.1
93.07050	24.5
95.04958	4.9
95.08076	2.5
95.08613	28.7
98.20790	4.3
99.04460	46.4
101.06014	4.6
102.09224	2.4
105.07034	28.3
106.08638	4.9
107.08588	27.1
109.06477	5.5
109.10161	38.3
111.08092	3.5
117.07014	7.8
119.08590	35.3
120.08936	2.7
121.06497	21.5
121.09334	2.9
121.10152	35.0
123.08067	5.6
123.09139	1.9
123.11713	10.6
125.09647	2.5
129.06973	4.3
131.08560	15.5
133.10153	29.9
135.08055	5.1
135.11659	9.8
137.09596	6.0
141.06985	3.3
142.07750	4.0
143.08575	11.3
145.10123	15.1
147.08028	2.4
147.11700	24.4
149.09570	2.1
149.13257	5.4
150.36382	2.0
152.64679	2.1
155.08533	4.6
156.09300	6.2
157.10161	20.1
159.11728	19.0
161.09634	4.7
161.13268	19.4
163.14835	5.4
169.10130	3.5
171.11700	26.6
173.13266	10.1
175.11185	9.3
175.14769	8.2
177.12711	3.3
177.16353	9.7
179.10641	9.4
179.14194	2.7
183.11801	3.4
185.13289	10.2
187.14807	10.2
189.12767	11.8
189.16408	3.2
197.13243	5.4
199.14807	6.3
201.16365	6.1
203.17937	6.9
211.14758	7.7
215.14279	3.3
215.17848	2.1
217.10547	2.8
217.15820	2.5
217.19540	19.4
225.16444	3.8
227.17958	100.0
228.14661	5.7
229.15852	9.8
233.15396	3.8
233.18771	2.6
235.20535	4.6
241.19514	3.4
243.21095	6.5
245.19022	33.9
247.16975	3.5
257.19006	3.2
257.22592	4.0
259.20609	3.9
267.21042	17.7
271.15216	4.5
285.22165	45.6
285.29694	4.5
303.04941	13.0
303.17755	10.1
303.23193	65.9
303.30841	73.6
325.86353	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	303.2318
Annotation	(5Z,8Z,11Z,14Z,17Z)-Icosapentaenoic acid
Peak:m/z	Relative Intensity
54.98610	1.4
55.01869	1.9
55.05510	13.1
56.96542	1.5
57.03417	1.8
57.07064	4.6
65.03935	2.4
66.79999	1.4
67.05508	34.0
68.69772	1.6
69.07083	12.4
71.04984	3.7
71.48904	1.9
72.04491	1.7
76.02728	1.5
79.05492	18.3
81.07055	31.6
83.08611	4.2
85.06550	3.8
88.07642	2.5
91.05482	56.0
93.07043	28.0
95.04973	3.7
95.08612	24.6
96.08106	1.7
97.10189	1.6
105.07033	39.8
107.04958	2.1
107.08603	15.5
109.06538	1.6
109.10155	8.4
115.05450	2.1
117.07021	25.6
119.08584	31.6
120.08935	4.2
121.06485	3.7
121.10156	12.9
123.08037	2.6
123.11700	6.7
128.06219	2.1
129.07010	20.3
131.08574	35.6
133.10130	17.5
135.08034	2.5
135.11674	5.9
137.13239	4.5
138.18439	1.6
141.06984	9.5
143.08604	9.2
144.08937	2.6
145.10123	27.2
147.08014	4.4
147.11687	8.1
149.09607	5.0
149.13266	4.1
153.01744	2.0
153.09097	2.0
155.08530	5.8
157.10164	9.3
159.08066	4.5
159.11731	13.2
161.09595	4.4
161.13240	10.2
163.11168	2.1
163.14737	3.3
167.10674	2.9
168.08900	1.6
169.10150	16.5
171.11688	6.7
173.09645	4.5
173.13226	6.3
175.14812	5.4
183.11711	11.0
185.13249	2.1
187.11198	7.0
187.14799	4.2
189.16402	6.5
191.10706	5.4
195.11308	2.2
197.13274	4.3
199.14845	1.9
200.15208	2.1
201.12733	12.0
201.16325	3.5
201.41985	1.7
203.14349	1.7
203.17953	2.0
205.12178	4.9
207.13838	2.8
209.15533	1.8
210.13538	2.3
211.14888	3.1
215.14383	3.0
215.17964	1.9
216.10226	2.1
217.10579	3.1
219.13844	5.0
221.15445	2.2
228.14674	9.0
229.05078	1.8
233.15392	6.5
239.17906	2.1
241.19563	3.8
241.23512	8.7
243.17595	1.9
243.21025	8.2
247.17064	2.8
257.19098	9.0
261.18478	1.9
267.21194	8.6
271.15262	6.1
285.22110	16.6
303.05038	15.3
303.17941	15.5
303.23193	100.0
303.30655	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	303.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
61.95129	18.3
62.05231	16.6
69.03453	18.4
71.08847	39.3
71.09216	38.1
94.93053	34.3
98.97578	30.6
115.60712	17.8
124.13279	17.6
139.72862	21.5
210.74394	17.9
240.96645	47.2
303.08142	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38737	5.2
56.96574	67.5
57.03422	14.5
58.79742	4.0
61.02928	6.1
62.91846	5.7
67.05518	5.9
68.57665	4.8
69.03409	13.7
70.26939	22.5
72.39098	5.7
73.02899	13.8
81.03419	10.8
84.96024	7.1
85.02911	35.3
97.02886	14.2
98.97584	100.0
101.00829	8.9
109.02905	5.4
110.01261	8.8
110.07151	7.5
110.97550	23.0
114.05556	5.4
115.47234	6.3
116.98610	17.7
119.01842	15.5
123.04458	6.8
124.95721	6.5
126.97033	6.2
127.03919	14.2
128.02344	8.7
128.98579	12.8
129.03079	5.1
130.18428	5.1
131.01906	7.1
132.94125	5.7
134.42085	5.9
136.99100	17.7
137.06007	9.0
140.03421	11.5
141.03802	9.0
143.00180	15.0
145.03499	7.2
155.00145	15.3
156.97435	7.6
157.03476	7.9
158.99663	44.8
159.03154	5.5
161.02887	6.3
163.03926	9.6
168.03462	5.2
169.03514	6.3
170.99660	9.5
173.01225	11.8
177.00685	20.0
180.98065	9.8
182.96320	14.7
185.01344	6.6
185.09193	9.2
186.04459	7.2
186.99171	15.7
187.04558	11.0
189.00745	7.5
191.03973	9.2
198.04691	12.5
198.98801	15.2
200.98337	18.6
204.02812	6.0
205.00128	9.3
207.05153	19.1
213.03351	13.1
219.01810	13.1
237.02766	7.6
273.08142	5.8
279.00360	7.9
303.03186	16.8
303.10489	12.1
303.13574	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	303.0499
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03966	0.2
56.17482	0.3
59.12410	0.2
63.36651	0.2
65.03937	0.5
68.99787	1.9
69.21317	2.3
69.21655	0.4
71.15642	0.3
74.19994	0.3
81.03407	0.9
91.05483	0.3
93.03389	0.5
94.91278	0.2
95.04967	0.6
107.04952	0.3
109.02863	1.1
111.00802	1.8
115.05511	0.2
117.07014	0.6
121.02869	2.5
123.04410	0.6
127.03931	0.3
131.04991	0.5
135.04411	0.6
137.02353	7.8
137.03415	0.6
145.06494	0.8
149.02330	0.7
153.00563	0.5
153.01830	9.9
155.04906	0.8
157.01076	0.3
159.04457	0.3
161.05972	0.6
163.03894	1.0
165.01846	3.3
166.02606	0.5
173.06003	1.4
179.03362	0.4
183.02902	1.5
183.04480	0.9
187.03900	1.1
195.02858	0.5
199.36395	0.2
201.05499	3.7
205.04858	0.2
207.03058	0.3
211.04024	0.3
217.10489	0.3
219.02902	0.2
219.06538	0.4
228.04210	0.7
229.04974	8.7
230.05511	0.3
232.03625	0.3
239.03424	0.4
247.06094	1.3
257.04419	4.7
271.15311	0.3
274.04755	1.6
275.36038	0.2
285.03903	2.1
303.04996	100.0
304.05371	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.4
55.05511	0.5
65.03945	0.8
67.01838	0.4
67.05514	1.2
68.99795	2.1
69.03429	0.4
69.07061	1.0
69.13565	2.5
71.04998	1.7
79.05492	0.8
81.03405	0.8
81.07062	1.3
83.08593	0.4
85.06531	1.1
87.02703	0.5
91.05478	0.9
93.03402	0.9
93.07042	1.1
95.04976	0.8
95.08630	1.2
95.09111	0.2
97.06541	1.5
97.10175	0.2
98.06879	0.7
105.07040	0.9
106.06575	0.3
107.08569	1.3
109.02872	1.0
109.10156	0.9
111.00815	1.8
111.08047	0.3
115.05447	0.3
116.05300	0.8
117.07014	0.8
119.08588	1.6
121.02892	2.2
121.06500	0.4
121.10164	1.0
123.04420	0.7
123.11784	0.3
125.09624	0.3
127.03889	0.5
128.06216	0.4
129.07001	0.4
131.04929	0.8
131.08546	0.8
133.02844	0.3
133.06526	0.3
133.10107	1.1
135.04401	0.5
135.11624	0.3
137.02347	8.1
137.03381	0.3
137.05994	0.5
142.07808	0.4
143.06357	0.5
143.08601	0.4
145.06503	1.0
145.10126	1.3
147.06818	1.5
147.11681	0.9
148.07143	1.5
149.02396	1.1
153.00577	0.5
153.01831	10.4
155.04965	1.3
155.08609	0.3
157.10130	1.2
159.04367	0.5
159.11713	2.3
161.06013	0.8
161.09633	0.7
161.13243	0.5
163.03902	1.2
163.11201	0.5
165.01849	4.0
166.02617	0.5
169.10101	0.3
171.11699	1.2
173.02414	0.3
173.05992	1.5
173.13277	0.6
175.11098	0.3
176.10698	0.5
177.05525	0.5
177.07817	0.8
177.11086	0.7
177.12589	0.5
178.08197	0.8
179.03366	0.5
183.02878	1.2
183.04491	0.9
183.11749	0.3
184.05264	0.3
185.11075	0.8
185.13304	0.6
187.03894	1.3
187.14745	0.3
189.12720	0.3
191.03383	0.5
191.07002	0.3
195.02907	0.4
199.14861	1.0
201.05484	4.0
201.07217	0.4
201.16403	0.6
203.12598	0.3
205.05083	0.4
205.10596	0.3
207.12065	0.3
211.03928	0.4
211.14874	0.5
213.05423	0.3
215.03426	0.4
217.15875	0.9
218.16664	0.2
219.02989	0.3
219.06589	0.4
227.17992	1.0
228.04160	0.6
229.04965	9.9
229.15907	0.5
230.11436	0.4
232.03670	0.3
239.03278	0.5
245.19017	1.0
247.06064	1.1
257.04471	5.8
259.06082	0.8
259.15265	0.7
259.71088	0.2
262.10040	0.3
267.21161	0.3
273.13443	0.3
274.04758	1.2
274.13980	2.0
275.05441	0.6
285.03976	2.3
285.12253	0.8
285.22150	2.0
303.04999	100.0
303.17841	17.1
303.22900	2.8
304.05347	1.2
304.14996	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0501
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03932	0.1
55.01862	0.4
55.05505	0.1
55.29356	0.1
59.05003	0.1
65.03928	0.6
67.01864	0.3
67.05476	0.4
68.40136	0.1
68.99787	2.5
69.03416	0.3
69.07053	0.1
69.17755	0.3
69.18178	0.8
71.01353	0.2
76.65431	0.1
79.05487	0.3
81.03411	0.7
81.07047	0.3
91.05476	0.3
93.03424	0.7
93.07024	0.2
95.04986	1.0
95.08614	0.3
97.06520	0.4
97.70727	0.1
98.20709	0.2
100.11221	0.2
105.03400	0.2
105.06999	0.2
107.01288	0.2
107.04946	0.3
107.08556	0.1
109.02881	1.1
109.10145	0.2
110.03650	0.1
111.00808	2.0
111.04438	0.2
115.05424	0.3
117.07019	0.4
119.04919	0.1
119.08565	0.2
121.02876	2.3
121.10119	0.2
123.04415	0.7
127.03903	0.4
129.06978	0.2
131.04904	0.4
131.08540	0.1
133.02931	0.1
133.06480	0.1
133.10152	0.2
135.04433	0.6
135.11641	0.2
137.02351	7.6
137.03415	0.8
137.05965	0.2
143.04959	0.1
145.02814	0.3
145.06499	0.7
147.06743	0.3
147.11731	0.1
148.07155	0.2
149.02362	1.0
153.01833	11.1
155.04922	1.2
155.06033	0.3
157.06482	0.3
157.10179	0.2
159.04410	0.3
159.11777	0.2
161.05986	0.9
161.13231	0.2
163.03912	1.4
165.01836	4.1
166.02591	0.6
173.05997	1.8
173.13187	0.1
175.04005	0.1
175.07625	0.1
177.01791	0.3
177.05515	0.2
178.08138	0.2
179.03421	0.5
183.02879	1.5
183.04442	0.9
184.05135	0.1
185.05963	0.2
187.03915	1.2
191.03355	0.3
191.07074	0.3
195.02887	0.5
201.05486	4.8
205.04987	0.4
205.10471	0.2
207.02928	0.2
211.03966	0.3
213.05487	0.3
215.03374	0.2
217.05142	0.2
217.10564	0.1
219.02826	0.2
219.06560	0.6
228.04253	0.7
229.04967	10.2
232.03844	0.1
239.03424	0.4
245.04454	0.3
246.05289	0.2
247.06023	1.4
256.03922	0.2
257.04456	5.3
258.05045	0.2
271.15051	0.2
274.04773	1.4
274.13922	0.4
275.05496	0.4
279.11386	0.1
285.03970	2.6
285.22150	0.2
286.04733	0.2
303.04990	100.0
303.17822	3.3
304.05301	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.05
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63095	0.2
55.01865	0.4
65.03932	0.9
67.01862	0.4
67.05500	0.3
68.99788	1.7
69.07064	0.3
70.15134	0.9
70.15481	0.2
76.43027	0.2
81.03416	0.6
81.07071	0.3
83.35215	0.2
91.05473	0.4
91.39574	0.2
93.03412	0.6
93.07018	0.3
95.04993	1.2
97.06439	0.2
109.02887	1.0
111.00796	1.7
117.06992	0.4
119.04951	0.2
119.08566	0.3
121.02862	1.5
123.04453	0.6
123.82642	0.2
127.03926	0.3
135.04364	0.5
137.02347	6.9
137.03413	0.6
145.06483	0.5
148.07185	0.2
149.02339	1.1
153.01839	9.8
155.04927	1.0
157.06569	0.4
159.04390	0.3
161.05997	1.0
163.03931	1.0
165.01848	4.0
166.02620	0.4
173.05977	1.5
177.05446	0.3
179.03403	0.4
183.02913	1.4
183.04474	0.7
187.03864	1.0
195.02925	0.4
201.05484	4.5
205.05057	0.3
207.02917	0.3
211.03857	0.3
219.06587	0.4
228.04216	0.9
228.14450	0.3
229.04964	9.3
239.03439	0.3
245.04428	0.3
247.06087	0.8
257.04471	4.7
257.12866	1.0
269.09241	0.3
274.04623	1.2
274.13895	0.3
285.03986	2.3
285.12271	2.4
285.22305	0.3
303.04996	100.0
303.13364	2.3
303.17862	2.6
304.05292	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.05
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.09167	0.1
53.11854	0.2
53.51668	0.2
55.01871	0.3
62.94675	0.2
65.03941	0.7
67.01860	0.4
67.05489	0.3
68.87932	0.1
68.99791	2.6
69.03419	0.3
69.39539	0.3
69.39945	1.1
77.11548	0.2
81.03423	0.9
91.05467	0.2
93.03427	0.8
95.01324	0.3
95.04974	0.7
98.20782	0.4
98.68716	0.2
103.05489	0.2
107.04939	0.2
109.02871	0.8
110.99628	0.2
111.00806	2.1
114.92565	0.2
115.05453	0.3
117.07014	0.5
121.02869	2.4
123.04398	0.9
127.03898	0.3
131.04924	0.4
133.02826	0.2
133.54192	0.2
135.04399	0.6
137.02350	8.8
137.03346	0.4
145.06491	0.7
149.02354	0.8
153.01837	11.3
155.04915	1.1
155.06024	0.3
157.06538	0.2
159.04422	0.4
161.05978	0.7
163.03926	1.7
165.01859	4.7
166.02594	0.7
173.05991	1.6
177.01784	0.3
177.05579	0.5
179.03409	0.5
183.02895	1.4
183.04443	1.2
187.03857	0.9
191.03508	0.3
195.02812	0.4
201.05481	5.0
205.05005	0.4
207.02888	0.3
211.03896	0.4
213.05489	0.3
217.10510	0.2
219.02924	0.4
219.06575	0.6
228.04114	0.6
229.04974	10.8
233.04126	0.2
239.03404	0.6
246.05402	0.2
247.06114	1.1
257.04462	6.1
274.04739	1.6
275.05472	0.6
285.03989	2.7
303.05005	100.0
304.05307	1.6
308.73578	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0412
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99482	0.3
56.96562	0.4
70.02993	0.8
70.03398	0.5
77.69131	0.3
98.97588	4.1
100.52117	0.3
101.00891	3.4
116.98614	1.6
119.01933	4.0
134.99736	0.6
140.98843	0.9
147.39972	0.3
158.99896	2.9
159.99919	0.4
173.11073	0.3
175.03009	0.4
175.44579	0.4
177.00963	10.9
178.01065	0.9
179.00746	0.4
182.99921	1.1
201.00954	3.4
202.01039	0.3
209.02785	0.3
217.04213	1.7
218.03838	0.7
219.02025	19.5
220.02165	2.2
221.01881	1.4
225.00909	2.1
236.99727	0.4
243.02008	11.6
244.02226	1.5
261.03073	100.0
262.03210	9.6
263.03067	1.0
279.00800	1.4
279.98395	0.5
283.00018	1.1
284.00146	0.4
284.04688	1.3
284.99783	3.4
285.04514	0.8
301.01053	1.0
303.00900	3.9
303.05115	5.3
320.98035	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.175
Annotation	O-Methylmaritidine
Peak:m/z	Relative Intensity
55.82932	0.5
56.70986	0.5
62.59951	0.6
63.43723	0.7
64.31511	0.6
67.05497	1.4
69.87418	2.9
79.05466	1.0
82.61166	0.5
91.05476	2.7
96.08112	2.1
98.21509	0.8
98.23495	0.5
105.07021	2.4
115.05441	1.1
117.06238	1.2
117.07021	15.8
119.08583	8.9
124.07551	0.8
128.06259	0.7
129.07007	0.7
130.07788	1.0
131.08566	2.1
133.06512	0.7
136.07613	0.9
143.08554	6.3
145.06462	3.0
145.08978	1.0
145.10104	8.4
147.08049	2.6
155.08557	5.7
157.10101	1.4
158.07246	0.8
159.08122	1.1
160.11241	1.8
169.10135	1.4
171.08058	1.1
172.11269	0.6
173.05994	7.7
173.08350	1.5
173.09647	1.5
179.08543	0.9
181.10136	1.3
182.10973	1.3
183.11682	1.4
188.10710	3.4
192.09396	0.8
194.10951	0.7
196.07515	1.1
197.13205	3.8
207.11710	1.5
210.10352	0.7
214.16022	0.8
216.10204	93.5
225.12729	3.6
227.14351	1.9
252.13794	0.8
253.12263	5.1
270.14905	40.8
302.17508	100.0
303.18100	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1749
Annotation	O-Methylmaritidine
Peak:m/z	Relative Intensity
50.28910	0.2
67.05499	0.7
70.28377	0.2
70.61890	0.6
79.05476	1.0
81.07019	0.4
91.05466	1.5
96.08121	1.3
104.64695	0.2
105.07014	1.8
115.05436	1.1
117.07018	12.8
119.08578	6.6
124.03941	0.5
124.07597	0.8
128.06244	0.4
129.06985	1.0
130.07748	0.8
131.08575	1.4
133.06500	0.5
136.07561	0.6
137.02290	0.4
143.08539	3.2
145.06503	1.9
145.08873	1.3
145.10120	5.6
147.08070	1.4
153.01840	0.6
155.08545	4.4
156.09358	0.3
157.06497	0.2
157.08917	0.3
157.10109	0.9
158.07260	0.3
159.08015	0.4
160.11221	1.5
165.01848	0.3
165.06967	0.2
167.08542	0.5
169.10109	1.2
170.09610	0.3
171.08025	0.6
172.11223	0.5
173.05995	5.9
173.08316	0.5
173.09653	1.0
179.08578	0.5
181.10139	0.8
182.10898	0.8
183.11635	0.9
188.10710	2.4
190.08553	0.3
192.09344	0.7
194.10867	0.3
196.07585	0.6
197.13251	3.1
198.09029	0.4
199.07578	0.5
199.14786	0.4
200.10742	0.6
201.05412	0.3
207.11656	1.3
210.10503	0.4
214.08514	0.3
214.15996	0.7
216.10199	70.8
217.10539	0.6
225.12711	2.3
227.14281	0.5
227.58183	0.3
228.10225	0.6
229.04942	0.6
229.10851	0.3
235.11151	0.3
237.11530	0.4
242.15407	1.0
252.13907	0.6
253.12242	4.3
257.04367	0.3
270.14893	33.8
271.15164	0.4
273.13599	0.3
285.03979	0.2
302.17496	100.0
303.04993	5.3
303.17862	0.9
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
50.80606	4.3
51.71549	3.1
56.89009	3.4
61.02922	8.9
67.05499	9.8
69.03420	14.2
70.06583	7.4
70.93829	8.8
72.08159	13.0
79.05489	8.2
81.03419	8.1
81.07043	9.7
85.02905	85.3
86.09711	11.6
91.05476	5.3
93.91862	3.5
95.04958	8.5
96.08083	3.5
96.61176	3.5
97.02882	47.9
99.61364	4.0
101.79095	3.5
103.03934	5.3
107.35220	4.1
108.08133	15.4
109.02888	11.8
119.08574	4.2
122.06049	9.0
125.06026	6.0
126.05548	5.3
126.09175	8.0
127.03923	12.0
136.07584	24.1
140.07083	47.5
143.11801	10.1
145.04932	10.8
150.09108	6.3
152.07094	18.5
154.08545	8.3
157.13345	6.5
164.07085	32.7
167.08540	8.3
169.05989	3.8
171.11246	8.2
173.06026	21.1
178.08636	19.9
182.08130	100.0
195.08037	12.1
206.08144	40.0
211.07675	4.2
213.09167	14.2
218.08240	7.4
229.11111	4.4
248.09151	12.8
257.08078	9.9
259.09531	6.0
262.87173	3.7
266.13873	5.8
270.14981	10.1
273.13571	6.0
284.14850	11.3
302.17871	40.5
303.05130	20.5
303.08295	4.3
306.14590	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.4
54.32238	1.3
55.01853	2.0
57.03428	2.8
61.02920	3.1
65.03928	3.0
66.69198	1.3
67.05504	34.3
69.03426	15.4
69.07075	10.3
69.40298	10.0
70.06590	1.3
71.05017	1.3
73.02937	1.7
79.05495	1.6
81.03409	5.5
81.07051	1.3
84.04495	1.3
84.08153	3.8
85.02905	43.4
86.09689	2.2
94.06578	2.0
95.04973	47.6
97.02305	2.0
97.02901	35.2
98.20758	1.5
99.04444	1.8
100.40219	1.2
103.03934	4.0
109.02867	4.9
110.06030	6.5
112.07601	35.4
113.05991	4.6
117.07090	1.3
119.04896	2.1
119.08592	3.1
122.05996	2.4
124.07580	2.5
127.03957	7.5
136.07614	2.8
138.05525	17.4
140.07068	100.0
141.91525	1.1
145.04944	2.5
147.04459	1.9
154.08626	6.0
167.08565	2.9
173.05962	4.2
178.08554	3.4
182.08136	63.4
195.08054	4.2
206.08109	10.8
213.09140	2.7
216.10071	1.4
218.08170	1.9
227.14284	2.7
236.09311	2.4
239.06982	1.6
248.07010	1.8
248.09103	9.3
257.08228	1.7
270.15045	2.0
284.11499	1.3
284.14890	1.8
302.12747	2.6
302.16354	4.0
303.04865	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	5.5
61.02931	5.4
63.75521	3.8
67.05499	10.0
69.03423	14.9
70.92989	8.9
81.03401	5.4
81.07043	5.3
85.02907	82.6
95.04964	6.5
97.02909	40.3
103.03903	4.9
103.63706	4.8
108.08109	13.1
109.02867	17.6
125.05953	8.6
126.05508	10.1
127.03904	17.3
129.95918	4.3
134.06104	4.5
136.07576	16.3
140.07071	45.9
145.04909	10.6
152.07065	20.4
154.08670	7.8
164.07016	23.0
178.08615	19.7
182.08145	100.0
182.09763	4.9
194.26439	4.2
195.08087	4.4
206.08141	32.3
218.08150	4.5
248.09126	6.9
302.17361	16.7
303.05042	20.3
317.02570	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	301.2162
Annotation	9,13-Di-cis-retinoic acid
Peak:m/z	Relative Intensity
51.50800	1.7
51.59940	1.9
53.03975	1.8
55.05517	9.7
57.07069	14.0
67.05505	15.7
69.03428	2.9
69.07075	14.1
70.06578	12.1
70.82554	4.9
71.05003	2.8
71.08633	9.6
75.03537	2.0
79.05499	11.1
81.07063	14.7
83.04969	2.9
83.08614	3.8
85.06558	4.2
85.21946	1.8
86.06064	2.8
88.07639	14.9
91.05479	19.8
93.07054	22.5
95.04980	8.2
95.08617	19.1
97.06539	5.9
99.08096	3.7
100.07610	2.2
101.07984	1.8
102.09207	2.3
103.05490	1.9
105.06390	3.9
105.07034	30.6
106.08662	9.8
107.04912	1.9
107.08595	23.1
109.06529	16.2
109.10172	18.9
111.08075	2.6
115.05434	5.2
116.83523	2.0
117.07026	19.0
118.07379	5.9
119.08591	30.9
119.09371	2.9
121.06480	6.2
121.10140	15.8
122.67431	1.8
123.11733	5.3
125.09512	2.0
128.06221	4.0
129.07024	9.6
130.07774	4.0
131.08580	35.1
132.09065	1.9
133.06502	2.0
133.10144	21.1
134.56944	1.8
135.08061	11.9
135.11688	5.0
139.11150	2.1
141.07056	2.4
141.12749	7.0
142.07787	3.9
143.08566	19.2
144.09047	3.9
145.06439	4.8
145.10132	29.7
147.08018	4.3
147.11688	9.0
149.09619	4.7
149.13286	5.8
155.08569	6.7
156.09134	2.7
157.10152	15.1
158.10919	10.1
159.08078	4.2
159.11668	10.4
161.09622	29.9
161.13252	3.3
163.11179	1.9
165.07092	1.9
167.08545	2.6
168.09180	2.4
169.10162	9.4
170.10962	2.4
171.08102	4.0
171.11707	13.4
172.08502	6.6
173.09653	5.0
173.13266	47.0
174.06424	2.4
175.11182	3.2
175.14830	5.4
179.08618	2.0
181.10121	4.6
183.11710	6.6
185.09596	2.4
185.13248	10.5
187.11217	8.5
187.14793	4.2
189.12852	2.7
191.14311	13.0
194.11067	2.3
195.11705	3.1
196.12138	3.3
197.13182	3.4
199.11235	4.8
199.14847	6.9
201.12775	4.1
201.16528	2.4
203.14409	2.6
209.13297	7.8
213.12691	3.2
213.16457	2.8
214.08632	15.8
215.08981	45.4
216.10268	2.7
217.15916	5.1
223.14848	4.9
225.16438	3.1
226.08366	2.0
227.14290	5.3
239.18028	3.9
241.19531	7.3
245.15359	3.8
251.12617	2.0
255.21092	3.5
265.19547	5.7
269.13690	35.0
283.20544	17.9
283.28271	12.5
284.29495	4.6
301.16296	100.0
301.21652	70.2
301.28903	3.4
302.17188	5.5
302.30545	96.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.3
55.01871	5.2
55.05516	31.9
57.03437	9.3
57.07082	3.7
65.03938	2.6
67.05510	44.0
69.03429	8.6
69.07070	35.9
69.42504	2.2
69.42918	7.7
71.05008	6.3
71.08631	11.9
71.80448	1.3
79.05500	37.4
81.03399	1.5
81.07065	19.3
83.04988	42.4
83.08629	4.1
84.68178	1.3
85.06535	1.7
86.09744	1.2
89.03916	11.7
91.05485	15.4
93.07048	42.0
95.04967	4.3
95.08612	70.8
97.02916	1.3
97.06534	9.9
97.10169	2.0
97.61034	1.5
99.08102	5.8
103.05489	4.3
105.03406	2.4
105.07038	13.4
107.04993	3.9
107.08574	9.2
109.06495	1.8
109.10164	7.9
111.05573	2.5
115.05503	3.2
117.03365	11.5
117.07030	11.0
119.04943	3.4
119.08595	12.8
121.06480	1.6
121.10147	13.8
123.11752	2.9
128.06277	2.2
129.06998	10.9
131.04977	3.1
131.08578	13.6
133.02885	5.9
133.06488	1.7
133.10127	7.2
135.04434	16.4
135.08119	2.7
135.11670	1.7
139.11189	78.1
140.09485	2.4
141.07008	3.7
141.12784	5.5
142.07767	2.2
143.08589	9.4
145.02869	12.5
145.06523	2.2
145.10130	11.9
147.04398	4.9
147.08063	4.4
147.11743	4.5
149.09624	2.2
149.13280	3.0
153.07036	1.5
155.02103	1.4
155.08565	6.1
156.09360	2.1
157.10103	12.7
159.04395	10.6
159.08145	2.5
159.11711	7.7
161.02377	5.5
161.06076	2.3
161.09636	4.2
161.13290	1.9
162.03162	2.0
163.03914	100.0
167.08638	2.3
169.10144	6.2
171.11714	13.7
173.02357	30.8
173.06062	4.4
173.09685	2.1
173.13327	4.8
175.03926	7.4
175.11215	1.6
177.09142	4.5
181.10190	2.2
183.11714	3.4
185.09709	2.3
185.13303	10.3
187.03918	24.5
187.11243	6.1
187.14824	2.5
189.05530	6.3
195.11639	2.2
197.06114	1.6
197.13412	1.9
199.11249	2.0
199.14838	5.0
201.05466	3.6
201.16417	2.4
203.07039	1.7
203.14270	1.4
205.05019	1.6
209.13350	2.7
213.12666	2.5
215.08888	2.5
216.10226	15.7
217.05031	1.5
217.15880	1.5
223.56335	1.4
225.16609	1.3
227.07108	2.2
227.14375	4.5
231.13808	3.6
232.14548	1.5
239.18002	3.4
241.19519	8.8
243.17567	2.0
245.15411	4.3
255.17575	1.4
255.21138	2.3
257.11731	39.8
265.19540	4.0
269.13593	2.3
270.14865	9.5
283.13489	2.5
283.20572	11.2
301.14206	49.4
301.18887	3.9
301.21744	55.8
301.29324	5.4
302.17526	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1078
Annotation	anthraniloyl-O-glucose
Peak:m/z	Relative Intensity
51.38376	0.4
53.03934	0.8
55.01875	1.3
57.03442	0.8
64.78024	0.4
65.03940	1.7
69.03429	3.0
70.06586	1.4
71.01364	0.7
71.05004	0.9
71.48717	0.4
73.02908	0.9
79.05505	0.8
80.62402	0.3
81.03426	2.3
81.03812	0.3
85.02909	13.6
86.09714	1.2
87.04492	0.6
89.02405	0.8
89.06031	5.4
90.03784	0.5
91.05489	0.6
92.04996	3.5
95.04985	0.7
97.02895	3.0
99.04452	1.1
109.02900	1.7
110.06046	59.7
114.04476	0.4
115.05447	0.5
116.07105	1.0
119.04961	1.7
119.76473	0.3
120.04456	2.4
123.04446	1.7
127.03912	2.6
133.08607	2.6
134.06023	0.5
136.04245	0.7
137.05962	1.2
138.05504	100.0
139.05853	0.6
147.04364	2.2
177.11191	0.8
179.07011	2.8
180.06564	3.1
189.05551	0.5
214.08621	1.1
218.08124	0.6
228.06572	2.3
246.07649	3.5
254.08852	0.6
254.13882	0.6
264.06006	0.6
264.08710	12.3
268.09644	0.9
268.13318	0.5
272.09552	0.4
282.09744	3.2
282.16901	0.5
283.17694	2.2
285.09860	1.3
295.78998	0.4
300.10706	13.0
300.15558	0.8
300.18396	0.8
316.68982	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.0902
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05043	8.1
56.05283	1.5
57.29482	1.4
63.00031	1.1
69.33044	1.1
70.45264	3.7
73.01189	1.4
77.43559	1.2
79.89462	1.2
80.02732	1.1
90.03789	37.6
95.04980	12.4
105.22033	1.2
118.03254	8.7
121.06499	2.7
123.04439	100.0
131.66425	1.2
136.04283	46.2
165.05502	33.2
272.20093	1.2
276.40668	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.0902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.8
56.05035	6.9
62.33547	0.9
70.93024	2.1
73.01151	1.4
78.05305	0.8
90.03788	40.8
94.22555	0.8
94.56907	0.8
95.04971	16.5
100.33112	0.9
102.95473	0.7
102.99414	0.8
110.18221	0.8
113.30251	0.8
115.69204	0.8
118.03245	7.2
121.06558	1.0
123.04442	100.0
136.04295	39.9
150.46591	0.8
165.05495	36.2
225.25467	1.2
277.52759	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	4.8
55.05513	26.1
57.03428	5.1
57.07066	4.6
67.05507	48.1
69.03430	9.5
69.07073	26.2
69.16230	30.5
69.16640	5.3
71.04992	14.3
77.09252	3.5
77.33025	3.6
79.05495	35.3
79.86245	3.2
81.06595	6.0
81.07058	84.2
83.05006	4.9
83.08611	12.4
85.06548	97.1
87.04455	8.2
91.05489	26.6
93.07047	60.2
95.04943	4.6
95.08614	93.6
97.06548	13.1
97.10186	4.6
99.08080	8.9
105.07034	49.1
107.08601	56.7
109.06541	9.2
109.10159	42.7
111.08070	10.4
113.09630	7.5
117.07015	13.0
119.08586	39.7
121.06502	6.1
121.10162	34.5
123.08070	13.4
123.11715	15.3
125.09620	19.8
127.11198	4.5
128.00774	5.1
128.06277	4.9
129.06992	10.0
131.08551	20.9
133.10130	29.1
135.08055	7.1
135.11716	20.3
137.09637	11.5
139.11203	7.7
141.07120	4.3
141.09099	12.3
142.07803	4.5
143.08588	13.5
143.10634	5.0
145.10133	39.2
147.08043	5.2
147.11714	16.5
149.09627	4.2
149.13260	5.9
151.11162	5.4
153.09126	4.3
155.10669	8.0
157.10144	15.6
159.11676	33.1
161.09624	4.1
161.13219	17.4
163.11237	7.4
171.11688	15.3
173.13301	14.1
175.11203	5.9
177.12746	4.4
183.11729	5.0
185.13313	14.7
187.14830	5.8
189.12807	4.7
189.16478	6.3
197.13287	3.8
199.14819	11.6
201.16417	9.3
215.17946	5.3
219.17511	5.2
227.17934	14.5
233.19044	6.5
245.18987	24.6
253.19675	5.6
263.20068	29.3
266.27762	3.3
281.18423	6.9
281.21185	100.0
299.17346	5.9
299.19803	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	3.8
55.05518	20.3
57.03437	6.1
59.04992	5.0
67.05513	31.6
69.03419	7.1
69.07081	24.8
70.19106	10.5
71.04990	13.7
73.53606	4.0
79.05499	26.0
81.07069	44.0
83.04964	10.5
83.08631	4.1
85.06550	100.0
91.05466	19.5
93.07047	34.2
95.08618	67.6
97.06503	12.2
97.10147	7.1
99.08070	11.1
105.07045	30.5
107.08603	39.9
109.06522	5.8
109.10141	27.1
111.08123	8.5
113.09606	9.7
117.06987	10.2
119.08575	25.4
121.10152	34.4
123.08060	8.3
123.11699	5.8
125.09651	36.4
131.08554	15.5
133.10110	21.7
135.11676	6.9
137.09622	19.3
139.11195	8.9
143.08575	11.9
143.10641	11.8
145.10144	23.5
147.11670	13.3
149.09570	4.6
149.13269	6.8
151.11237	9.0
155.08554	4.8
155.10725	4.7
157.10101	9.5
159.11707	21.3
161.05954	7.9
161.13278	9.1
166.08018	4.0
167.65314	3.9
169.10146	3.5
169.12222	7.4
171.11700	12.0
173.13286	8.1
175.07603	6.5
177.12733	7.3
179.08466	4.7
179.14330	8.5
185.13257	8.6
187.14793	6.2
189.12766	7.1
195.13777	7.9
199.14716	6.0
201.16393	8.4
203.17957	5.5
207.08101	6.8
217.19444	4.5
219.17436	7.3
224.08177	4.1
227.17950	13.2
233.19102	6.3
235.07394	4.5
239.10712	6.7
245.19005	23.5
251.20003	5.0
263.17514	5.1
263.20117	53.4
267.10104	11.8
281.21161	64.8
299.06335	4.4
299.12747	19.6
299.17105	6.9
299.20087	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	299.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	25.3
57.03426	6.5
57.07067	3.2
59.04984	3.4
65.03946	2.1
67.05505	38.0
69.03431	3.6
69.07072	26.1
69.66641	13.2
71.01331	2.9
71.04995	18.0
73.17488	2.0
79.05491	21.8
81.07060	44.8
83.04975	18.0
83.08612	8.2
85.06546	100.0
87.22743	1.8
91.05482	18.0
93.07046	42.4
95.04938	3.5
95.07986	3.8
95.08607	66.0
97.06535	16.9
97.10186	3.8
99.04454	5.3
99.08104	14.8
100.42550	2.1
101.06019	9.1
105.07031	33.2
107.08609	38.9
109.06515	4.1
109.10159	38.1
111.08081	11.8
113.09634	6.0
117.07024	5.4
117.40038	1.9
119.08584	30.9
121.10149	28.0
123.08068	12.7
123.11684	7.8
125.09637	18.9
127.11201	20.7
128.06172	2.1
129.06952	3.4
131.08572	14.1
133.10146	24.3
135.08032	6.9
135.11694	9.4
137.05934	2.5
137.09586	12.2
139.07576	4.7
139.11169	8.9
141.09102	5.9
142.07831	4.4
143.08565	8.2
143.10681	4.7
144.09355	2.6
145.10124	28.9
147.11667	15.1
149.09639	3.9
149.13283	2.6
151.11186	5.6
155.10649	4.3
157.10178	13.5
157.12222	5.1
159.11710	27.0
161.09592	2.8
161.13297	13.6
163.11203	3.9
163.14763	2.0
165.12779	2.9
169.12337	2.7
171.11702	15.5
173.13251	12.9
175.14828	4.4
177.12775	2.9
177.16336	2.2
179.14191	3.2
181.15887	2.3
185.13286	13.3
187.14798	8.5
189.12758	2.6
189.16335	2.8
199.14888	4.0
201.16353	11.6
203.17873	5.2
217.15823	3.2
219.17361	3.5
227.17906	17.0
233.19060	5.1
245.19025	21.6
263.20053	20.4
281.21097	37.0
299.05634	2.3
299.14645	2.3
299.17740	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	299.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	28.8
57.03431	5.9
57.07079	4.2
61.85303	2.8
67.05509	35.0
69.03416	7.0
69.07072	25.4
69.26276	21.1
69.26691	5.0
71.05000	19.5
79.05496	17.9
81.06602	3.6
81.07059	52.0
83.04976	12.9
83.08611	9.9
85.06550	100.0
91.05483	21.0
93.07047	44.5
93.26920	3.3
95.04962	3.6
95.08609	69.2
97.06532	19.7
97.10191	5.7
98.51995	2.9
98.61641	2.6
99.04446	5.6
99.08089	16.5
101.06014	10.2
105.07052	27.0
107.08598	42.4
109.06517	6.3
109.10177	40.0
111.08067	11.0
113.09635	8.5
115.05514	3.0
117.07019	7.0
119.08595	33.3
121.10163	26.1
123.04550	3.0
123.08060	12.8
123.11697	11.4
125.09653	20.2
127.11222	17.7
128.06271	3.3
129.07066	5.7
129.09244	2.9
131.08585	14.7
133.10144	23.2
135.08043	8.2
135.11703	9.1
137.05998	4.1
137.09639	14.2
139.07538	6.2
139.11194	5.8
141.09058	4.6
143.08609	7.3
143.10690	4.3
145.10143	26.0
147.11711	18.5
149.09607	4.6
151.11151	4.7
155.10722	4.3
156.09270	3.6
157.10147	14.9
157.12250	4.8
159.11693	28.7
161.09589	3.8
161.13222	13.8
163.11115	5.9
165.12732	5.4
171.11693	14.0
173.13246	12.1
175.07626	4.3
175.14824	8.4
179.14459	3.4
185.13258	8.8
187.14848	8.4
189.12735	4.3
199.14847	6.2
201.16426	15.8
203.17967	7.2
216.94850	3.6
227.17903	17.3
230.53450	3.0
233.18991	3.7
239.07011	10.8
245.19023	28.8
249.02081	5.2
253.08563	4.6
257.04037	3.4
263.20044	19.7
281.21152	38.3
294.01282	2.8
299.05887	5.7
299.09338	3.4
299.12863	8.5
299.17511	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	5.0
55.05505	20.8
55.49146	4.0
57.03455	8.2
57.07067	4.8
61.29322	5.8
67.05507	30.2
69.07066	27.0
69.16573	38.6
71.04974	21.1
73.39686	3.7
78.49850	4.1
79.05482	20.0
81.07063	51.4
83.04993	5.8
83.08596	6.9
85.06550	100.0
91.05487	18.8
93.07054	40.7
95.08611	57.1
97.06500	9.6
97.10213	5.2
99.08089	10.5
105.07030	41.6
107.08597	34.1
109.10160	47.5
111.08091	15.1
117.06997	6.1
119.08598	32.2
119.63923	4.2
121.10130	30.0
123.08064	13.7
123.11707	17.9
123.80176	4.4
125.09628	18.2
127.11190	16.4
129.07057	4.8
130.07793	4.4
131.08562	17.8
133.10133	28.6
135.08060	6.5
135.11693	19.2
137.06003	8.6
137.09610	17.1
142.07770	6.8
143.08560	11.2
143.10664	5.4
145.04010	4.0
145.10120	26.3
147.11705	15.7
147.76711	4.4
151.11205	5.0
157.10126	15.0
159.11703	39.1
161.13257	12.4
163.11143	6.2
171.11716	13.6
173.13298	10.4
179.14297	13.1
183.13809	4.4
185.13261	16.2
187.14848	5.7
199.14848	5.2
201.16357	10.1
206.53166	4.8
227.17938	21.3
245.19006	36.3
263.20157	37.8
281.18781	5.2
281.21234	44.0
292.06686	5.4
299.17465	27.8
299.20389	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	299.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.7
55.05514	23.5
56.99937	2.3
57.03435	5.3
57.07067	3.3
67.05508	29.7
68.55842	2.3
68.99787	3.3
69.03432	4.1
69.07069	30.8
71.04987	16.6
71.48804	4.5
79.05501	18.9
81.03419	2.9
81.07056	46.6
83.04979	15.0
83.08616	8.1
85.06547	100.0
91.05469	21.7
93.07050	43.7
95.04955	4.4
95.08610	58.8
97.06532	12.1
97.10127	3.0
99.04450	4.4
99.08089	12.4
101.06013	5.0
105.07033	29.3
107.08598	40.0
109.06523	6.4
109.10159	36.4
111.08099	11.6
113.05987	3.2
113.09658	9.0
117.07034	7.6
119.08598	26.8
121.10156	23.6
123.08075	13.7
123.11700	9.9
125.09637	15.8
127.11189	16.3
129.07028	4.2
131.08546	11.4
133.10153	23.6
135.08072	7.2
135.11717	8.3
137.05991	6.2
137.09599	16.3
139.07542	6.9
139.11198	8.0
141.06947	2.9
141.09111	3.9
143.08571	11.0
143.10620	5.1
144.09334	2.5
145.10147	23.9
147.11693	20.8
149.13255	4.3
151.11200	7.1
154.36218	2.7
155.10606	4.5
157.10185	15.0
157.12256	3.4
159.08009	3.8
159.11676	21.4
161.09610	4.1
161.13269	12.9
163.11171	6.4
169.10188	3.0
170.10890	3.1
171.11659	12.0
173.13295	8.7
175.11150	3.1
175.14824	5.1
183.11504	2.9
185.13286	13.7
187.14850	9.9
189.09076	2.7
189.12578	2.6
191.14413	3.8
199.14877	4.1
201.16415	8.9
201.56633	2.7
203.18037	4.6
215.17955	2.6
225.11295	3.2
227.17870	16.3
233.18892	3.1
239.07054	10.9
245.18993	26.7
249.02309	2.8
253.08582	5.2
263.20032	16.7
281.18304	3.5
281.21149	41.0
299.05795	12.4
299.09045	4.5
299.12668	4.1
299.17496	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	299.2008
Annotation	Angustanoic acid E
Peak:m/z	Relative Intensity
53.03928	1.2
55.05514	4.6
57.03407	1.2
57.07076	1.0
59.02518	0.7
67.05502	5.4
69.03398	1.6
69.07069	4.5
69.76781	0.8
71.04975	0.9
75.91286	0.7
79.05495	4.6
81.03375	1.0
81.07059	6.7
83.04967	2.9
83.08602	3.3
85.06520	1.5
91.05482	30.8
93.07049	9.6
95.04959	2.6
95.08610	9.8
97.06516	4.6
98.82236	0.9
100.34281	0.9
103.05482	1.9
105.04493	1.0
105.06304	1.1
105.07031	21.0
107.04919	1.0
107.08594	8.6
109.06494	2.1
109.10153	3.4
111.08063	0.9
115.05466	2.4
116.06210	5.8
116.11325	0.7
117.06995	4.6
119.04935	7.4
119.08581	17.5
121.06503	2.3
121.10157	6.5
123.08069	3.3
123.11679	0.9
125.09616	3.1
128.06232	2.0
129.07018	10.2
131.08569	43.2
133.06483	1.5
133.10103	5.5
135.08060	2.6
135.11621	1.1
136.16249	0.8
137.09518	0.9
141.07031	1.8
142.07787	2.6
143.08571	5.3
145.06462	1.6
145.10121	6.9
147.08011	1.7
147.11708	2.1
149.09628	5.2
155.08562	4.0
156.09319	3.5
157.10162	8.3
159.08055	100.0
159.11646	4.2
161.09599	3.6
161.13240	2.3
163.03947	1.0
165.07010	0.9
167.08688	1.2
167.10606	1.4
168.09338	0.9
169.10139	7.1
170.10875	1.0
171.08098	0.8
171.11659	7.0
173.09599	1.7
173.13223	1.5
175.11217	1.6
177.09325	0.9
180.09305	1.1
181.10077	1.7
182.10939	2.4
183.11649	4.3
185.09616	2.6
185.13228	2.2
187.11136	2.0
189.12717	4.5
192.09328	1.1
193.10121	2.4
195.11794	1.7
197.13257	7.7
199.11166	5.8
199.14827	2.4
201.09056	1.4
201.12749	3.2
203.10716	2.6
206.10939	1.7
207.11696	2.3
208.12431	0.9
209.13162	1.9
211.11214	2.7
211.14862	1.6
213.12854	1.2
215.14342	2.1
221.13268	3.0
223.14815	2.8
225.12798	5.5
225.16373	1.4
229.45026	0.9
237.16371	1.2
239.14450	2.7
239.18042	2.2
241.15868	1.0
243.13892	3.4
248.15627	0.9
251.14304	0.9
253.19653	2.3
257.19028	2.6
263.18011	3.2
271.20560	1.2
281.19000	23.0
299.06433	1.5
299.17371	4.0
299.20135	52.9
300.16049	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2008
Annotation	Vitamin A2 acid
Peak:m/z	Relative Intensity
53.03964	3.6
55.01864	7.5
55.05521	15.3
55.33458	2.0
57.03444	3.2
57.07078	4.7
65.03937	2.9
67.05519	22.8
69.03417	3.7
69.07073	12.2
70.50711	8.0
71.01366	3.0
71.05019	3.3
71.08617	5.2
71.67709	2.2
79.05511	21.6
81.03419	5.8
81.07050	14.7
83.04980	5.7
83.08627	7.1
85.02969	2.8
85.06528	3.2
91.05483	28.1
93.07057	19.5
93.32645	2.3
95.04971	5.4
95.08608	16.0
97.06552	10.0
99.00810	4.5
105.04548	2.4
105.07041	28.9
107.08620	14.7
109.06530	3.3
109.10174	8.5
111.08065	2.9
115.05474	3.0
117.07021	24.3
119.08575	22.7
121.06495	4.1
121.10170	9.3
123.08047	5.6
128.06264	8.8
129.07011	32.1
131.08583	26.0
133.06487	4.6
133.10159	13.7
135.08075	3.8
135.11671	2.5
141.07068	13.5
142.07797	7.0
143.08554	22.6
144.09387	2.8
145.06519	3.6
145.10107	20.5
147.08067	5.9
147.11693	4.7
149.09650	2.8
151.11180	7.5
153.07060	2.6
154.07845	2.6
155.08536	22.4
157.06458	3.8
157.10114	18.1
159.08104	9.8
159.11729	10.1
161.09630	4.4
167.08594	8.5
168.09143	2.6
169.10103	18.5
171.08055	4.4
171.11684	16.4
173.09671	4.4
173.13326	5.0
175.11191	5.4
175.39487	2.2
178.07932	3.9
179.08492	4.6
179.10666	4.5
181.10167	6.4
183.11740	15.4
185.09636	11.3
185.13232	14.5
187.11182	12.3
189.09183	4.5
193.10229	4.0
195.11736	7.4
197.09680	4.3
197.13234	13.0
199.11195	2.9
199.14888	6.6
201.12874	2.6
207.11745	3.8
209.13356	3.1
211.11185	5.4
211.14851	4.5
213.12732	3.5
215.14319	6.9
221.13364	3.3
223.14803	3.8
225.12943	4.3
229.12279	15.5
237.16440	4.3
239.14244	3.3
239.17992	6.6
243.13785	3.5
253.19527	6.3
257.15494	3.2
257.19086	3.3
263.18152	8.7
281.18967	22.1
299.06378	5.2
299.09338	7.4
299.14590	5.2
299.17514	8.4
299.20154	100.0
299.30701	2.7
300.15912	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	12.5
54.36366	9.6
55.05517	76.5
56.96562	39.1
57.03421	18.9
67.05511	61.7
69.03426	21.5
69.07084	49.3
70.09309	19.2
70.09719	32.4
71.04973	23.8
71.08617	10.1
71.95232	12.1
73.02921	13.0
73.06555	14.1
74.97809	10.2
79.05499	50.4
81.03401	10.9
81.07067	65.6
83.04992	14.9
83.08621	11.3
85.02899	40.6
85.06539	31.5
87.04433	15.3
91.05457	82.7
92.05836	10.8
93.07061	64.3
95.08643	61.4
97.02898	11.4
98.21416	15.6
98.97572	38.7
99.08080	21.0
105.07025	63.8
107.04958	14.6
107.08577	44.4
109.06522	14.2
109.10151	26.4
113.06051	9.5
117.06994	19.7
119.08588	56.9
121.06517	10.7
121.10155	29.7
123.08124	16.8
125.09671	10.7
125.89810	8.9
129.02261	23.8
129.06978	35.4
131.08545	36.4
133.06465	20.3
133.10127	46.5
135.11653	16.6
137.05972	18.5
141.06963	13.3
142.07776	21.1
143.08562	33.4
145.10147	43.4
147.03275	23.8
147.08109	16.2
147.11635	15.9
149.02312	27.6
149.09615	14.6
157.10144	31.5
159.11693	24.0
161.05911	11.1
161.50624	11.4
169.10078	14.3
171.08072	12.1
171.11644	29.1
181.10068	14.3
183.11571	20.3
185.13243	38.0
187.10950	11.1
187.14854	11.8
197.13228	22.1
199.14856	17.6
209.13199	16.6
214.97578	12.6
245.15283	15.5
256.07742	23.1
277.03903	13.2
281.18777	23.1
290.07275	17.9
295.04688	12.5
299.05588	15.6
299.12628	13.3
299.17352	40.5
299.20282	100.0
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
50.97657	8.9
55.01865	14.1
55.05500	36.1
57.03422	13.2
67.05507	78.2
69.07063	34.6
70.24996	13.8
70.25362	31.6
71.04990	12.8
77.26492	10.5
79.05483	67.7
81.07061	100.0
83.04984	10.3
83.08630	14.2
85.06535	22.4
89.07458	8.5
91.05487	58.5
91.83980	11.3
93.07045	51.5
95.08613	75.5
97.06567	13.2
97.10184	13.6
99.08114	13.4
105.07016	69.4
107.08560	31.5
109.10136	23.6
117.06986	23.7
119.08561	34.0
121.10130	17.8
123.11752	10.9
125.09595	11.7
128.06186	12.3
129.07002	33.1
131.08551	40.9
133.06454	16.6
133.10103	30.9
135.11671	16.9
136.07607	10.5
137.05972	39.0
143.08531	29.7
145.10114	26.2
147.08040	26.7
147.11726	20.5
151.07515	23.2
153.86536	10.4
157.10133	20.7
159.11670	16.1
161.05974	10.0
169.10118	14.0
170.18533	9.0
171.11658	18.5
175.07564	43.2
183.11798	12.6
185.09589	11.7
185.13284	26.2
187.11205	11.8
191.10626	12.9
195.12009	10.0
197.92979	10.9
211.09937	18.2
220.09538	9.7
245.15480	13.0
254.11729	14.9
271.14362	36.7
281.18799	11.5
299.06171	18.7
299.09451	12.4
299.13339	55.3
299.17377	41.6
299.19879	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	299.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	15.7
55.05511	30.3
67.05513	70.8
69.07062	32.7
71.04973	24.1
71.48706	26.1
79.05492	70.4
81.07054	82.5
81.51678	11.6
83.04964	12.9
85.02915	12.5
85.06545	95.1
91.05489	85.9
93.07038	78.4
95.04990	11.9
95.08579	88.7
97.06535	26.6
97.75864	11.5
99.08109	16.6
100.68629	12.7
105.07045	100.0
105.07656	16.7
107.04983	22.8
107.08569	63.7
109.10150	34.8
111.08134	16.4
114.91394	11.0
117.06996	29.4
119.08587	76.4
121.06504	23.4
121.10149	29.3
123.08067	27.5
125.09629	15.3
129.07016	40.0
131.08585	43.2
133.10124	55.9
135.08121	12.4
135.11678	27.8
137.05942	21.3
137.09535	13.1
141.06915	12.2
143.08548	54.2
145.10092	35.9
145.84425	10.5
146.70799	9.7
147.08046	15.6
147.11699	33.3
151.07532	17.6
151.11176	12.5
156.09361	11.3
157.10144	44.9
159.11775	28.0
161.09647	23.1
161.13246	16.2
169.10115	17.7
171.11650	27.6
173.13251	12.0
183.11714	27.0
185.13264	62.5
199.14894	20.3
203.10664	11.8
204.28090	13.6
205.12344	11.8
211.07393	15.8
212.14362	14.2
245.15408	21.0
245.18976	29.3
256.13193	11.8
263.20151	29.6
281.21130	33.1
299.05890	20.7
299.09348	15.9
299.17374	49.8
299.20450	72.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1756
Annotation	Fumigaclavine A
Peak:m/z	Relative Intensity
56.05034	0.9
56.35270	0.4
56.96561	1.3
67.05518	0.5
69.03391	0.5
69.57123	2.1
70.06575	1.7
76.97826	0.4
77.05788	0.4
79.05509	0.4
84.08163	0.6
90.03782	2.1
91.05506	0.5
95.04974	1.2
98.97580	0.6
107.04930	0.4
110.06001	0.5
110.97616	0.4
118.03215	0.6
123.04445	5.9
129.07076	0.5
136.04276	2.6
136.06209	1.6
137.06636	0.8
143.08516	0.6
145.08902	0.6
154.94211	0.5
157.08844	0.8
158.09682	0.4
160.11206	1.9
161.09683	0.7
163.03889	0.4
165.05505	1.4
170.09637	3.7
171.10500	0.6
183.10440	1.7
184.11270	1.5
185.12003	4.2
186.12819	5.1
188.10718	1.3
197.11945	0.7
198.12845	2.5
199.09982	0.9
199.13545	2.0
200.10568	0.7
200.14363	2.3
202.12244	0.9
210.05537	0.5
212.10767	0.5
212.14357	6.6
226.08667	0.9
226.12340	1.2
226.15933	1.2
227.09430	0.5
228.10320	0.7
228.13860	9.3
230.11728	0.7
237.11510	0.4
238.12283	1.2
238.14618	0.5
240.10281	0.9
241.10904	0.6
252.13890	0.7
253.16896	0.4
254.04561	1.7
254.11842	1.3
254.15564	0.5
255.07619	0.7
255.12604	1.1
256.13361	10.9
256.15927	0.8
257.16556	3.8
270.14935	1.7
271.18076	1.9
281.16302	1.6
282.14694	0.6
299.06650	9.5
299.17560	100.0
300.17993	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89369	2.1
53.00315	20.6
53.03937	7.1
55.01863	9.7
55.05518	61.1
57.03444	36.2
57.07080	3.9
59.04995	9.2
67.05508	38.5
69.03430	8.2
69.07056	9.0
71.01347	8.3
71.04985	3.1
73.02908	4.2
79.05498	26.9
81.03430	15.5
81.07059	55.9
83.04975	7.9
83.08162	3.0
83.08626	42.1
85.06555	4.1
88.27840	2.0
91.05489	60.7
93.07055	46.0
95.05001	10.3
95.08633	16.2
97.02919	14.7
97.06543	9.1
97.10186	5.7
98.20741	5.3
99.00827	76.2
99.04462	2.5
101.02383	2.2
103.05466	5.3
105.07041	49.1
107.04961	14.6
107.08598	20.2
109.02888	28.2
109.06535	9.0
109.10163	16.7
111.04401	4.3
111.08079	8.6
115.03925	7.8
117.06985	9.1
119.08590	34.5
121.06533	23.9
121.10159	2.9
123.04453	4.7
123.08111	3.1
123.11705	9.2
127.03918	8.5
128.06216	5.1
129.07045	4.3
131.08543	5.3
133.06454	5.8
133.10141	99.6
135.08041	4.6
135.11691	3.3
137.05959	6.4
137.09636	3.9
139.03841	2.5
139.07556	8.5
143.08545	10.5
145.10146	4.3
147.08084	2.3
151.11212	32.7
153.06970	2.6
161.09630	62.0
165.09135	2.7
171.08080	14.4
179.10689	34.2
189.09119	35.6
189.71397	2.0
194.51825	2.4
197.11687	13.1
204.80151	2.3
205.65636	2.0
207.10178	12.8
225.11218	51.2
243.12231	7.0
258.69904	2.4
299.14905	100.0
299.20151	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00317	16.3
53.03949	5.1
53.15885	1.5
55.01872	10.9
55.05516	62.8
57.03162	1.9
57.03444	36.9
57.07062	4.0
59.04995	5.9
67.05510	37.0
69.03431	4.9
69.07076	8.5
69.25466	15.0
71.01354	8.6
71.04999	3.0
71.08630	1.7
73.02921	2.1
77.55340	1.5
79.05500	28.0
81.03424	13.5
81.06592	3.1
81.07061	50.1
83.05009	9.3
83.08163	2.3
83.08625	35.9
85.02888	3.5
85.06540	4.7
91.05489	54.8
93.06487	2.7
93.07053	41.3
95.04987	13.1
95.08631	12.3
97.02898	14.0
97.06536	9.2
97.10175	3.3
98.20712	2.9
99.00823	68.1
99.04461	2.8
99.08073	3.2
101.02401	1.6
103.05502	4.4
105.07043	44.9
107.04951	10.9
107.08609	19.3
109.02893	23.2
109.06518	10.9
109.10167	15.1
111.04472	4.0
111.08074	9.7
113.05991	1.8
113.53252	1.6
115.03932	9.3
117.07016	8.8
119.04905	2.2
119.08585	28.1
121.06504	15.9
121.29524	1.7
122.96822	1.6
123.04411	4.7
123.08083	5.1
123.11704	6.6
127.03909	5.6
128.06219	5.2
129.07001	3.2
131.08580	5.6
133.06505	3.5
133.10139	100.0
135.08080	7.5
135.11626	2.2
137.05974	3.4
137.09612	2.7
139.07561	9.0
141.05455	2.3
142.88536	1.5
143.08585	11.6
145.06514	3.5
146.07306	1.7
147.04385	2.1
151.11198	31.0
152.11615	1.8
161.09627	52.9
163.03838	2.0
163.11188	2.9
171.08020	9.4
179.10693	37.8
189.09116	34.3
197.11748	13.2
207.10165	14.0
225.11223	47.8
243.12338	6.5
299.14896	83.9
299.20184	5.1
300.15662	2.6
301.44083	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29349	1.6
51.51687	1.7
53.00307	23.7
53.03938	5.8
55.01878	12.5
55.05510	61.5
57.03439	38.9
57.07058	3.3
59.05007	9.8
62.61922	2.1
63.36834	1.6
67.05504	38.5
69.03422	5.3
69.07072	8.8
71.01346	7.1
71.04977	5.2
73.02868	3.3
79.05086	2.1
79.05492	30.9
81.03425	15.3
81.06597	3.5
81.07054	53.1
83.04960	8.3
83.08168	1.9
83.08620	31.0
85.06523	5.1
91.04908	3.1
91.05480	62.0
93.06501	3.2
93.07048	49.0
95.04962	11.1
95.08607	15.3
97.02897	12.8
97.06541	12.7
97.10136	5.6
97.84074	1.7
99.00818	81.3
99.04440	3.2
103.05469	5.0
105.07034	45.7
107.04957	19.8
107.08592	19.7
109.02891	24.6
109.06524	11.9
109.10139	16.6
111.04422	3.6
111.08051	11.3
113.05989	2.2
115.03898	9.7
117.07014	8.3
119.08597	27.5
121.06515	23.7
123.04411	5.5
123.08054	5.3
123.11687	7.4
127.03888	7.4
127.39538	1.9
128.06201	5.3
129.06940	2.5
131.08530	6.7
133.06479	6.1
133.10130	100.0
135.08034	7.6
135.11664	4.8
137.05986	3.8
137.09627	3.7
139.07568	8.8
143.08510	13.8
145.06494	4.0
145.10054	4.5
147.07971	4.1
151.11183	39.0
153.02858	1.7
153.06987	2.4
155.08472	1.8
161.08313	3.6
161.09618	56.3
163.11266	2.9
165.09065	3.0
171.08069	12.8
179.10678	32.1
185.09596	2.5
189.09099	32.7
197.11737	12.4
197.13200	2.2
207.10156	15.4
211.88547	1.7
225.11206	48.4
243.12273	7.5
299.14838	80.6
299.19894	8.8
300.15805	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27781	0.6
54.97601	0.5
55.05505	2.0
56.96555	1.3
58.99869	0.7
69.07079	1.4
70.09796	0.6
70.95865	5.2
71.47219	0.8
80.20756	0.5
82.99858	1.1
83.04978	3.4
85.01394	2.3
98.97586	10.8
99.97946	0.8
101.00883	7.7
103.02448	4.3
111.04427	2.1
113.05973	1.5
116.74512	0.7
116.98621	5.8
119.01924	15.2
120.02039	1.7
121.03490	1.4
127.02310	0.6
127.07553	2.1
129.03906	0.8
132.95833	1.0
134.99660	1.0
137.02948	1.5
139.05988	1.0
141.03963	1.9
143.05547	7.5
145.03461	7.0
147.05022	5.4
155.05635	1.1
155.07028	14.9
157.03539	0.6
157.07115	6.7
157.08221	1.1
159.05029	1.7
160.00122	0.7
161.06610	6.4
163.04532	6.2
165.06064	2.5
167.05571	0.7
169.07097	5.0
171.05057	2.9
173.06607	1.4
174.97699	2.3
175.08159	8.0
177.00955	3.1
178.01062	3.0
179.00696	0.7
183.05159	0.8
183.08618	1.2
185.06609	10.3
187.04556	1.7
187.08162	9.7
189.06082	14.9
190.94968	1.4
191.94955	3.3
192.94876	0.9
192.98665	0.9
195.05009	1.4
201.01001	0.8
201.06169	1.0
201.09720	2.1
203.02560	0.7
203.07625	2.0
205.05582	1.3
207.07024	0.9
207.94490	0.9
208.95976	1.5
209.95990	2.9
210.95953	1.0
211.04518	6.3
211.08154	1.1
213.06120	8.1
213.09686	5.3
214.95677	1.7
218.03981	0.7
219.01942	4.3
220.02098	3.6
221.01740	1.3
222.01796	1.3
225.95517	0.7
229.05655	2.0
231.07193	3.2
231.10864	1.7
232.96637	3.8
233.96085	5.1
234.96037	1.1
237.06059	1.1
243.01926	0.9
244.02206	1.1
250.97290	0.8
251.97115	4.0
252.96933	1.8
255.07130	4.0
255.10796	6.4
256.96680	3.5
257.08725	5.3
257.96457	1.4
258.99847	4.1
261.03110	3.1
262.03210	12.1
263.02820	1.3
274.97662	9.2
275.04709	1.0
275.76105	0.7
275.97189	18.4
276.04782	2.3
276.96722	3.2
277.00797	3.5
292.98517	2.1
293.98215	6.6
294.97894	0.7
298.94455	0.8
298.97787	12.8
299.09760	100.0
299.18985	1.6
299.97882	1.0
300.09976	3.1
316.98792	15.4
317.10788	4.0
317.98972	0.7
320.72064	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1803
Annotation	NSC692297
Peak:m/z	Relative Intensity
53.03918	0.1
55.01861	0.2
55.05503	0.1
60.39470	0.1
63.66161	0.1
67.05508	0.8
69.07056	0.2
70.55862	0.1
70.56229	0.1
77.03937	0.1
79.05493	0.7
81.03377	0.1
81.07039	0.4
91.05479	1.7
93.07034	0.4
94.06583	0.1
95.04958	0.2
96.08134	0.8
97.59765	0.1
103.05490	0.1
105.07034	2.1
107.04951	0.2
107.08575	0.3
108.08123	0.2
115.05428	0.6
116.06213	0.2
117.07011	3.2
119.04971	0.3
119.08581	4.0
121.06487	0.1
121.10123	0.3
124.03996	0.4
124.07609	0.5
128.06175	0.4
129.07028	0.6
130.07773	1.4
131.07571	0.1
131.08569	1.3
133.06502	0.4
133.10118	0.7
136.07584	0.8
138.05521	0.2
141.06990	0.1
142.07747	0.3
143.08556	2.7
144.08031	0.1
144.09297	0.1
145.06459	0.5
145.08904	1.2
145.10109	12.0
146.06070	0.1
146.07280	0.2
146.09567	0.1
147.08043	1.7
147.11691	2.5
153.06972	0.2
155.08551	2.0
156.09315	0.6
157.06454	0.1
157.08928	0.2
157.10101	0.9
158.07286	1.0
158.09724	0.1
158.10893	0.1
159.08096	0.1
159.10432	0.1
159.11665	0.8
160.11211	1.6
161.09669	0.2
164.07079	0.2
165.07085	0.1
167.08548	0.2
168.08090	0.1
168.09364	0.2
169.10135	0.8
170.09688	0.4
171.08109	0.4
171.10428	0.1
171.11687	1.8
172.08862	0.1
172.11108	0.1
173.06003	1.0
173.08327	0.5
173.09625	3.7
173.13347	0.2
175.11163	0.3
178.08740	0.1
179.08572	0.2
180.09381	0.1
181.10144	0.7
182.09489	0.1
182.10921	0.3
183.06795	0.2
183.11690	1.5
185.09595	0.1
185.13246	0.2
187.07542	0.2
187.11229	0.2
188.07104	0.1
188.10715	2.4
190.08595	0.1
191.08505	0.1
192.09233	0.4
193.10147	0.2
194.10884	0.2
195.11722	0.3
196.07581	0.3
196.12451	0.6
197.13260	1.6
198.09114	0.4
199.07542	0.3
199.11189	0.2
199.14746	0.1
200.07104	0.1
200.10706	0.2
200.14406	0.1
201.09163	1.8
202.08614	0.1
206.10893	0.2
207.11740	0.7
209.09586	0.1
209.13301	0.5
210.10591	0.1
210.14026	0.1
211.11194	0.1
211.14780	0.5
212.10757	0.1
214.08644	0.4
214.12062	0.1
214.15913	0.2
215.09341	0.3
216.10194	58.4
217.10550	0.6
218.11708	0.1
220.12532	0.2
224.11932	0.3
224.14366	0.2
225.12776	0.8
225.16354	0.8
227.10785	0.1
227.14278	0.1
227.17885	0.1
228.10287	0.4
228.13753	0.4
229.11089	0.1
235.14801	0.6
237.11409	0.2
239.10631	0.2
242.11742	0.2
242.15402	0.2
242.19073	0.3
244.13324	43.9
245.13690	0.7
251.13052	0.2
252.13829	0.6
253.12210	0.6
253.15846	1.2
254.11819	0.1
256.13300	0.4
265.14566	0.1
266.15390	0.1
268.13315	0.1
269.14163	0.2
270.14883	10.5
271.15283	0.1
280.16998	0.2
281.15384	0.6
298.18002	100.0
299.18311	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63464	0.4
50.72669	0.3
53.03373	0.3
56.05021	1.0
58.72867	0.3
69.99071	0.6
69.99487	1.1
70.06593	0.7
72.08159	0.4
75.27948	0.4
80.75806	0.3
84.08150	0.5
84.70982	0.3
87.04452	1.3
89.02374	0.7
89.06046	0.5
91.05479	1.2
95.08596	0.4
103.05466	1.1
105.07034	0.8
107.04939	1.2
107.08572	0.7
117.07019	0.4
119.04926	0.6
123.04437	0.8
129.06981	0.5
131.03465	2.6
131.04926	2.4
131.08597	2.1
133.06480	0.5
133.08626	0.5
136.06201	6.4
137.05980	1.0
141.06982	0.8
144.05644	0.5
145.10027	0.5
147.04433	1.7
149.04933	0.4
149.05971	1.9
158.09648	0.9
159.04401	0.5
159.08057	1.6
161.06009	0.6
162.05510	9.0
163.06200	0.4
164.07086	0.9
169.06485	0.7
175.03978	0.5
175.06285	12.6
175.07497	0.6
176.07095	1.1
176.10739	1.2
177.05473	1.0
177.07751	1.7
177.09142	1.7
186.09193	1.4
187.07555	2.1
189.07869	7.0
195.08052	0.4
202.12257	0.4
204.10213	100.0
205.10597	0.7
206.11780	8.2
207.08032	0.5
236.12953	0.6
248.12834	17.5
249.13268	0.5
253.08638	0.6
266.13879	9.8
270.08249	0.5
270.11221	0.8
280.06866	0.5
280.09741	1.5
280.15479	1.5
298.07550	1.0
298.10760	2.2
298.16498	9.3
299.06363	0.6
299.17538	1.1
300.06149	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.097
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
55.01874	0.2
57.03442	0.2
61.01155	5.6
69.03425	0.4
70.63634	0.3
70.63967	0.3
75.02704	2.4
94.04051	0.3
97.02901	1.5
103.02160	0.5
119.03533	1.1
122.97321	0.2
129.95332	0.2
136.06190	100.0
137.04616	0.3
137.06651	0.2
145.03169	1.3
163.04272	1.4
207.23238	0.2
298.09671	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	297.9855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62796	0.6
54.68277	0.6
55.93512	2.3
56.96571	3.9
64.77217	0.6
69.96174	0.7
70.02673	2.6
70.95869	23.2
71.95248	0.9
72.93800	1.4
73.80507	0.6
81.07050	0.9
82.99873	1.0
88.96887	2.9
98.20818	0.9
98.97585	31.8
101.00879	5.0
116.98621	15.7
119.01910	7.7
124.11192	0.7
129.08107	0.6
130.93327	0.6
132.95840	2.8
134.99689	3.5
137.02940	1.4
140.98843	0.7
144.46796	0.6
145.03445	0.7
150.96843	2.1
158.99925	1.4
169.03494	0.6
172.94003	2.3
177.00957	8.7
179.00763	2.4
180.17413	0.9
189.06094	0.6
190.94882	20.2
197.21388	0.6
197.94559	1.0
201.01036	1.1
203.02519	2.1
206.94380	5.3
208.94016	1.1
208.95952	19.1
214.95113	2.0
216.98680	0.9
217.04010	1.1
219.02014	9.0
220.02110	0.8
221.01752	9.6
224.95413	3.6
225.00775	0.9
232.95970	26.1
233.03577	1.1
233.96629	1.7
234.99783	0.9
243.02065	4.2
247.94632	2.8
250.97029	21.6
256.96164	6.2
257.03421	0.9
261.03079	36.7
262.03311	1.0
263.03278	0.7
265.95834	1.3
273.98605	1.0
274.97089	100.0
275.04724	5.5
275.97205	1.0
292.98166	35.4
297.98758	1.2
298.06055	0.9
298.18713	4.6
298.97778	0.9
299.09683	3.3
315.99564	0.8
316.07239	1.8
316.98785	1.5
317.18402	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2425
Annotation	9R-HODE
Peak:m/z	Relative Intensity
53.03935	3.5
55.01866	8.2
55.05511	20.7
57.03424	2.5
57.07086	4.2
67.05505	13.8
69.03419	2.8
69.07070	39.8
69.14280	3.3
69.14704	5.6
71.04987	1.9
71.08632	1.0
74.48264	0.7
79.05022	1.3
79.05491	25.5
81.07058	20.2
83.04965	1.9
83.08624	7.1
85.06536	1.3
85.80643	0.9
91.05462	3.1
93.07051	9.6
95.04965	2.3
95.08605	17.3
97.06533	100.0
97.10172	19.0
98.06837	0.9
99.08080	1.5
105.04525	1.3
105.07024	2.5
107.08601	9.2
109.06532	1.2
109.10163	12.8
111.08084	2.6
111.11728	1.3
115.05436	1.9
117.07021	2.3
119.08602	1.9
121.10155	7.5
123.04456	2.0
123.11713	13.1
125.09623	3.7
127.11197	1.0
128.06219	3.4
129.06979	3.2
131.08604	2.5
133.10092	2.3
135.11703	7.2
137.13249	5.1
139.11151	1.6
143.08546	3.0
143.10733	1.3
145.06500	1.7
145.10127	2.7
147.11644	1.4
149.13278	3.7
151.11279	1.0
151.14853	2.5
153.06999	5.6
153.12727	5.5
154.07759	2.3
155.08565	20.4
157.06503	2.2
158.07294	1.5
159.08067	1.2
159.11757	2.1
161.13278	2.3
163.14856	4.7
165.06996	2.6
167.10664	1.7
168.05707	1.6
169.10112	1.2
171.08034	4.1
173.06061	4.9
173.09668	2.0
173.13234	1.0
177.16382	2.6
179.08488	1.2
179.14394	1.2
181.06506	1.3
183.08057	13.0
185.06068	1.2
186.06804	2.8
195.13739	0.9
197.09607	7.0
199.07549	4.7
200.08325	2.6
201.09106	70.6
202.09464	1.2
207.11659	1.4
209.15184	1.2
211.07585	1.3
222.13168	0.9
225.12761	2.2
233.22662	6.5
233.26369	0.8
241.95851	0.9
243.21127	1.9
251.23686	7.6
253.12337	5.5
253.79382	0.9
255.13774	1.0
261.22223	5.6
266.21829	1.0
279.13696	0.9
279.23175	12.3
297.14865	82.1
297.18268	3.7
297.24316	3.7
298.15085	1.3
306.32733	1.0
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	9R-HODE
Peak:m/z	Relative Intensity
53.03935	2.4
55.01877	7.3
55.05515	24.2
57.03437	2.3
57.07085	4.5
60.48314	0.9
67.05504	13.7
69.03413	3.5
69.07072	47.0
69.78930	4.6
71.04991	1.4
79.05077	1.6
79.05500	23.5
81.03430	1.1
81.06610	1.3
81.07063	23.4
82.29643	1.1
83.04977	1.7
83.08624	9.1
85.06537	2.1
87.83466	0.9
91.05462	3.2
93.07050	10.1
95.04959	2.1
95.08610	19.5
97.06535	100.0
97.10172	21.5
98.20753	1.1
99.08079	1.2
105.04519	1.0
105.07025	3.8
107.08598	10.2
109.10166	13.7
111.08115	1.6
111.11722	1.2
113.09653	1.3
115.05429	2.4
116.69408	0.9
117.07028	2.4
119.08591	2.8
121.10139	8.5
123.04483	0.9
123.11703	13.6
125.09599	4.1
125.13300	1.0
128.06186	2.5
129.07001	4.4
130.03496	1.2
133.10126	1.4
135.11720	7.1
137.13287	4.7
139.11179	3.3
141.06917	1.3
143.08572	2.6
143.10637	1.5
145.06451	2.6
145.10095	2.6
147.11679	2.1
149.13255	3.6
151.11151	1.2
151.14835	3.9
153.06976	4.0
153.12712	5.4
154.07767	2.6
155.08563	21.8
157.06532	1.4
157.10057	1.3
159.08099	1.0
159.11665	2.0
160.05235	1.6
163.14862	4.7
165.06995	3.2
167.10637	1.2
168.05794	1.3
171.08064	3.2
173.06000	5.2
173.09604	3.6
173.13208	1.5
177.16327	1.7
179.14270	1.3
181.06496	1.4
183.08054	13.7
185.05971	1.6
186.06750	2.9
187.14874	1.4
191.82787	0.8
195.11748	1.1
195.17531	1.3
197.09659	7.5
197.11273	1.4
199.07588	6.0
200.08365	1.1
201.09114	69.6
202.09462	1.4
203.17819	1.4
211.07491	1.4
225.09184	1.1
225.12856	1.2
230.69626	1.1
233.22696	6.7
237.16226	1.0
243.21086	3.0
251.23715	7.6
253.12315	6.3
261.22122	6.3
279.23230	13.5
282.21820	0.9
297.14865	89.8
297.18195	3.8
297.23895	4.3
298.15115	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2426
Annotation	9R-HODE
Peak:m/z	Relative Intensity
53.03927	2.6
55.01876	4.6
55.05516	29.8
57.03414	2.2
57.07077	6.0
65.03909	0.8
67.05186	1.0
67.05508	14.8
69.03418	2.0
69.07071	41.9
71.04978	2.7
71.08619	1.2
79.05079	1.1
79.05495	18.2
81.07058	24.2
83.05015	0.9
83.08614	10.1
84.55283	1.0
85.06537	2.1
91.05484	3.9
93.07044	12.7
95.04945	1.6
95.08611	22.5
96.46850	1.0
97.06536	100.0
97.10171	27.6
98.06831	1.1
98.20763	2.7
99.08041	0.9
105.07035	4.3
107.08595	11.8
109.02851	0.9
109.10166	15.9
111.00815	0.7
111.08047	2.9
111.11699	2.2
113.09615	1.3
115.05421	1.1
117.06964	2.3
119.08568	2.3
121.06511	0.8
121.10161	10.4
123.04391	1.2
123.11709	15.1
125.09605	4.2
125.13236	1.4
128.06186	2.0
129.07013	1.7
131.08527	2.2
133.10098	1.4
135.11705	8.3
137.13271	7.2
139.11200	4.0
141.06990	1.0
143.08527	2.5
143.10623	2.6
145.06433	1.2
145.10097	2.2
147.11650	3.0
149.13264	4.9
151.14867	4.9
153.06984	2.2
153.12743	6.3
154.07787	1.2
155.08551	9.0
157.06470	0.9
157.10164	1.2
159.11720	3.2
161.13226	1.1
163.11197	1.4
163.14825	5.8
165.07018	2.2
165.12801	0.8
165.16441	1.8
167.10617	2.1
168.05682	1.0
171.08063	1.9
173.05922	2.6
173.09595	1.7
173.13168	1.2
177.12691	1.1
177.16333	2.2
179.14291	0.9
183.06758	0.9
183.08069	9.4
185.05919	1.0
186.06665	2.1
187.14703	1.4
191.14259	1.2
193.04933	1.7
195.13725	0.8
195.17470	1.7
197.09631	6.7
199.07518	3.1
200.08165	1.4
201.09113	36.2
201.16386	1.1
203.17926	1.0
205.19524	1.0
211.07553	1.7
223.16728	0.8
225.12715	1.7
229.23784	1.0
233.22690	8.8
243.21037	2.9
251.23711	10.7
253.12126	3.2
261.22159	7.9
279.17374	0.8
279.20367	1.2
279.23203	17.6
297.14771	38.7
297.18201	2.0
297.24121	5.6
298.14868	0.9
299.06149	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2062
Annotation	Tanacetol B
Peak:m/z	Relative Intensity
54.30277	2.5
55.05513	12.0
55.82592	2.9
60.24557	2.5
67.05518	19.0
69.07071	33.5
69.46585	15.5
69.47002	6.6
71.05005	12.9
77.16625	2.4
79.05493	19.3
81.07063	33.3
82.00843	2.5
83.04977	3.8
85.06551	100.0
91.05476	10.3
93.07070	26.1
95.08618	47.1
97.06539	36.5
97.10180	3.6
99.08078	4.5
105.07030	32.8
107.04974	6.1
107.08602	32.5
109.06530	4.4
109.10156	20.8
111.08067	9.9
113.09666	22.3
117.07027	6.6
119.08615	21.6
121.06494	5.8
121.10185	16.1
123.08117	7.1
123.11724	7.3
125.09625	20.0
128.06268	4.2
129.06963	3.0
131.08560	20.2
133.10109	23.5
135.08090	9.9
135.11710	9.3
137.09621	9.0
137.17809	2.9
139.11212	4.8
143.08546	5.1
145.10133	21.8
147.11693	7.4
149.09637	9.2
149.13235	4.4
155.08566	9.3
157.10114	7.9
159.11708	38.3
161.13321	8.5
171.11708	5.3
173.09592	3.1
173.13292	29.7
175.11244	3.1
175.14844	9.5
177.12790	3.5
183.07983	3.8
183.11707	8.4
185.13315	2.9
187.11218	3.1
199.14799	7.9
201.09152	18.9
201.16368	21.0
205.12350	3.0
215.17981	11.3
216.90446	2.8
219.17456	26.6
225.16420	4.1
233.19051	11.5
237.16142	4.7
237.18506	76.3
237.20779	5.8
243.17468	30.3
253.12378	3.3
261.18549	54.9
279.19565	25.5
297.11282	9.1
297.14890	28.1
297.17996	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	297.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47631	0.7
51.63133	0.7
53.03939	0.8
57.03441	1.1
57.11081	0.7
58.22754	0.8
59.05002	10.3
59.38789	0.9
65.03938	1.1
66.24934	0.7
69.03418	2.9
69.56813	5.3
70.82517	0.7
71.01893	0.9
77.06040	2.4
79.05493	7.6
80.19365	0.8
81.03410	1.8
81.07063	1.3
82.19423	0.8
87.04472	37.9
89.06033	73.7
91.05484	2.4
95.04974	1.5
97.02901	0.9
103.03949	100.0
103.07587	6.4
105.04490	1.0
107.04971	8.0
107.07083	1.7
107.08638	1.0
109.02882	1.1
119.07112	1.0
119.08594	0.9
120.04607	0.8
121.08596	2.3
123.04419	1.3
131.07056	16.8
133.02885	1.7
133.08611	23.3
135.04411	9.3
135.08078	1.3
136.06165	1.6
137.05965	3.0
147.04422	2.9
147.06491	5.0
153.05522	0.9
161.02420	0.8
163.03926	4.1
163.09697	5.2
165.05716	0.9
165.11250	2.1
175.09671	9.5
177.09044	0.9
177.11243	8.2
181.06522	2.1
191.09142	1.8
195.08099	0.9
195.12372	1.6
204.10219	1.5
205.06567	1.3
207.12288	1.0
222.06819	1.2
223.07487	1.1
226.06268	2.3
236.04730	1.8
237.05513	2.3
237.09180	2.0
239.15033	0.8
240.76183	0.8
241.08690	1.3
247.09674	1.2
250.06253	1.1
251.06950	3.8
251.15031	2.1
254.09280	0.8
265.08640	2.9
267.00052	1.7
269.04630	0.8
269.08124	4.2
269.15948	1.7
269.27072	0.8
277.53860	0.8
279.06516	6.1
282.05313	1.3
282.08395	1.0
297.04004	3.2
297.07639	14.9
297.11322	2.4
297.15665	1.6
299.06213	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	295.2269
Annotation	Colneleate
Peak:m/z	Relative Intensity
51.47305	1.6
53.03925	2.6
55.05515	74.4
57.03423	4.0
57.07090	7.0
59.04979	2.1
64.21908	1.6
67.05508	33.4
69.03432	8.9
69.07071	74.0
70.11636	4.2
71.04981	4.7
77.76494	1.3
79.05486	9.1
81.06600	2.7
81.07059	48.7
83.04978	4.6
83.08642	7.7
83.92713	1.4
85.06538	4.7
90.83820	1.4
91.05460	5.4
93.07046	23.7
95.04964	6.2
95.07988	2.5
95.08611	65.8
97.06541	15.9
97.10175	100.0
98.20897	1.9
99.04476	2.5
99.08110	2.0
105.07029	9.4
107.08592	22.5
109.06519	4.9
109.10163	70.7
109.37708	1.5
111.04430	2.2
111.08048	2.4
111.11749	8.6
113.09633	2.3
119.08611	11.7
121.10143	16.1
123.08070	8.4
123.11728	12.4
125.09643	25.6
133.10150	8.4
135.11716	7.3
136.06210	2.0
137.09619	22.1
137.13266	3.3
139.11189	51.8
141.09122	5.2
143.10689	19.3
145.10139	2.2
147.11693	5.6
149.13278	4.2
151.07524	3.6
151.11194	7.0
153.08994	1.6
153.12761	6.3
155.10674	5.3
157.12241	2.7
159.11667	1.9
161.09645	2.1
161.13257	9.5
163.03848	3.1
163.14796	2.4
165.09128	17.6
167.14397	1.6
171.10245	2.6
171.11699	1.5
175.14850	2.9
179.10599	2.0
179.14325	8.4
181.12204	7.1
189.11212	2.3
189.16455	2.9
203.17880	2.3
219.66698	1.6
231.21101	6.1
241.19446	2.4
249.22185	8.7
259.20615	5.5
277.21603	22.5
295.19421	3.1
295.22693	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	295.2269
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
50.59863	0.6
53.03942	3.1
54.85047	0.6
55.01865	3.2
55.05511	100.0
57.07080	1.6
67.05507	7.7
69.03455	1.0
69.07071	3.3
69.65714	4.0
71.04995	11.6
79.05489	6.7
81.03434	1.3
81.07056	10.9
81.74049	0.5
83.05000	1.9
83.08618	57.7
85.02899	0.7
85.06554	1.6
87.04478	1.1
91.05479	4.2
93.07043	8.5
95.04961	3.3
95.08591	6.3
97.06531	17.3
97.10172	5.5
98.20894	1.1
105.07028	6.6
107.08585	5.4
109.06539	1.0
109.10160	4.3
111.04436	0.6
111.08124	2.2
112.40281	0.6
117.07047	2.2
119.08588	5.2
121.06543	2.2
121.10143	4.7
123.08105	1.4
123.11738	1.0
125.09608	4.0
129.07066	0.9
131.08528	3.1
133.10121	7.5
135.08043	0.8
135.11736	1.9
137.09679	0.8
141.07034	0.8
142.07771	1.1
143.08598	2.3
145.02797	0.6
145.10086	3.3
147.11758	1.9
149.13327	1.5
151.11240	1.1
155.08614	1.8
156.09412	1.6
157.10173	2.2
158.10982	1.1
159.11787	2.5
161.13293	0.8
163.03984	1.6
165.12846	0.6
169.10219	1.3
169.93021	0.6
170.10997	0.9
171.11668	3.7
173.13245	4.9
175.11194	1.0
177.12837	1.0
182.11014	0.9
183.11813	1.4
184.07407	0.6
185.13287	1.3
187.14842	0.8
189.11217	1.2
193.12199	0.6
195.11934	1.2
195.13770	8.5
196.12526	0.7
197.13374	1.4
199.14853	1.0
206.11012	0.8
206.22774	0.6
207.11739	0.8
209.13409	1.1
211.13129	0.9
211.14926	1.4
213.14848	27.3
221.13322	0.6
237.16548	1.0
239.14523	1.0
277.21790	2.4
295.13599	0.8
295.20404	1.9
295.23074	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.227
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03944	8.5
55.01870	20.1
55.05514	66.2
57.03433	12.7
57.07078	18.6
64.99532	2.9
67.05510	100.0
67.93470	3.5
69.03425	9.4
69.07071	45.4
71.04977	10.3
71.08620	17.4
79.05497	71.5
81.03428	16.8
81.07058	92.7
83.04971	22.4
83.08627	38.3
85.02901	8.9
85.06544	6.4
91.05485	50.0
93.06493	4.6
93.07047	66.8
93.83575	3.1
95.04975	33.1
95.08612	68.0
97.06520	17.5
97.10164	16.2
99.08125	15.9
101.02363	5.0
105.07034	42.7
107.08593	36.0
109.06510	14.1
109.10150	31.0
111.04472	3.3
111.08076	16.0
113.09628	4.9
117.07025	10.9
119.08596	34.2
121.10140	27.6
123.08073	9.9
123.11742	6.7
124.33981	3.2
125.09634	12.9
129.07048	8.7
131.08611	7.4
133.06491	6.4
133.10138	29.9
135.08032	5.2
135.11734	20.5
137.09595	9.6
138.05510	2.7
139.11195	15.4
143.08556	6.6
145.10129	11.2
147.08031	5.2
147.11700	20.6
149.13234	11.5
151.11177	18.5
155.10687	3.0
157.10138	11.7
159.11714	7.4
161.13263	17.8
163.03926	9.0
163.11235	7.0
163.14871	5.3
165.05771	3.0
165.12753	13.4
169.10094	5.3
171.11673	7.7
173.13240	5.8
175.11172	6.5
175.14825	8.6
179.14264	7.0
183.11673	4.0
184.07358	4.8
185.13293	6.6
189.11221	4.8
193.12247	4.2
207.13792	3.5
210.54379	3.1
221.15332	5.2
231.21155	5.5
241.19585	5.2
259.20654	10.4
277.21655	74.9
280.67270	3.1
295.19696	5.3
295.22726	43.1
295.31146	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	295.2269
Annotation	Colneleate
Peak:m/z	Relative Intensity
50.53879	1.0
53.03947	2.6
55.01854	3.1
55.05514	78.1
57.03429	3.6
57.07077	6.9
59.04992	2.1
62.67457	1.1
64.51300	1.0
65.03942	1.1
67.05512	40.1
68.99778	1.4
69.03431	6.2
69.07074	76.1
71.05004	5.4
71.38046	0.8
71.49651	1.9
79.05498	10.6
81.07061	50.4
83.05000	5.0
83.08624	7.5
85.06529	4.4
86.95607	0.9
87.04488	1.1
91.05499	6.4
93.07052	23.5
93.07637	1.4
95.04993	8.0
95.08614	63.7
97.06545	16.3
97.10176	100.0
99.04434	2.0
99.08089	1.9
105.07043	13.0
107.08603	20.1
109.06568	5.6
109.10164	73.7
111.08075	3.3
111.11732	11.6
113.09644	2.2
117.07011	1.4
119.08604	12.1
121.09354	1.1
121.10164	17.6
123.08070	11.8
123.11697	13.0
125.06047	1.1
125.09640	25.5
127.11205	1.1
131.08549	2.8
133.10152	11.4
135.11696	10.6
136.06194	4.0
137.04579	0.9
137.06506	3.0
137.09622	24.0
137.13254	3.6
139.07565	1.0
139.11192	54.2
141.09123	5.7
143.08549	1.6
143.09613	1.8
143.10681	22.7
143.11664	0.9
145.10153	3.4
147.11700	6.4
149.09625	1.4
149.13272	4.9
151.07574	5.1
151.11156	7.1
151.14850	2.0
153.09142	1.7
153.12740	5.9
155.10699	5.9
157.10150	3.4
157.12274	2.4
159.11722	2.2
161.09618	4.1
161.13277	8.5
163.03954	3.3
163.11279	2.4
163.14832	2.7
165.09129	20.5
165.12735	1.6
167.10684	1.2
171.10165	2.8
171.11650	1.9
173.13251	1.2
175.11128	1.3
175.14868	4.4
177.12819	1.4
179.10704	2.8
179.14348	9.2
181.12259	6.3
183.10165	2.4
185.13370	1.2
189.11197	3.1
189.12697	1.5
189.16382	1.4
191.17870	1.3
193.15884	1.8
195.13716	1.4
199.14822	1.0
201.16438	1.3
203.14462	1.3
203.17938	1.9
207.13814	2.2
213.16428	1.5
221.15460	1.2
231.17406	1.3
231.21017	6.6
241.19579	2.4
249.22159	13.0
259.20636	8.7
277.18466	1.5
277.21646	27.2
284.54822	1.2
295.22726	63.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2268
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03943	21.8
55.01861	8.5
55.05511	33.1
57.03443	3.2
57.07072	13.0
57.64175	2.0
61.44000	1.8
64.02110	1.9
65.03925	2.5
67.05505	67.7
69.03419	3.2
69.07067	47.6
69.93198	9.4
71.04985	4.4
71.08619	7.5
72.00540	1.9
79.05492	46.4
81.03418	90.1
81.07056	71.2
83.04982	19.5
83.08607	12.0
85.02903	2.4
85.06537	4.9
85.10178	3.6
91.05482	31.6
93.07045	55.7
95.04967	45.2
95.08607	33.8
97.06526	6.3
97.10161	8.6
99.08076	7.0
104.10723	2.2
105.07027	37.9
107.04939	4.2
107.08595	38.0
109.06512	11.5
109.10155	25.3
111.08063	6.2
113.09608	2.3
117.07001	6.7
117.13824	2.1
119.08584	22.4
121.06496	4.1
121.10143	16.1
123.08038	2.7
123.11686	9.8
125.09657	14.3
129.06979	2.6
131.08577	6.7
133.10123	23.6
135.08067	6.6
135.11697	10.1
137.09602	3.4
139.11111	2.9
143.08566	6.8
145.10130	5.3
147.08069	4.1
147.11658	16.6
149.09549	3.5
149.13234	7.4
151.11189	58.6
153.09090	5.1
157.10123	5.6
159.11705	3.5
161.13252	18.9
163.14842	6.0
165.12692	12.9
171.10229	3.4
171.11668	5.8
173.13290	2.5
175.11221	4.4
175.14815	8.3
177.12756	4.1
179.14310	4.6
183.63579	2.2
185.13252	9.4
189.12755	5.4
193.12251	2.8
196.22539	2.1
203.14317	9.3
207.13765	6.5
213.16475	2.4
217.19557	2.1
221.15349	5.4
231.21089	14.4
241.19525	10.0
249.22177	6.4
255.17070	2.8
259.20596	7.9
277.21628	100.0
291.22238	2.1
295.20462	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2267
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
52.47610	3.7
53.03936	5.1
55.01864	5.5
55.05507	32.2
57.07063	10.6
63.13539	4.1
67.05511	56.9
69.07066	26.1
69.27174	29.9
71.08245	4.9
71.08629	47.9
79.05494	49.8
81.03411	9.9
81.07053	61.9
83.04981	11.3
83.08607	17.5
85.06541	4.5
91.05488	33.6
93.07043	60.9
95.04957	8.3
95.08604	53.3
97.06503	13.5
97.10141	8.7
98.21515	7.7
99.08088	35.5
105.07034	26.1
107.08584	40.4
109.06519	6.8
109.10159	24.6
117.07014	9.3
119.08579	16.2
121.10147	35.6
123.08057	5.0
125.09674	6.0
129.07004	3.8
131.08578	8.5
133.10132	15.9
135.11685	52.1
137.09557	4.0
139.11208	4.8
141.09079	4.9
145.10100	8.7
147.11685	7.5
149.13261	14.4
151.11142	18.0
159.11647	4.4
161.13232	7.8
163.11108	4.8
165.12648	3.7
173.13383	3.9
175.14749	4.5
179.14314	100.0
184.13651	4.2
207.22586	3.9
221.15256	5.1
235.16902	5.8
259.20633	6.4
277.21591	47.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	7.4
57.07080	14.1
63.46460	1.0
65.03976	1.3
67.05495	3.6
69.07064	3.2
71.49734	1.6
73.06570	1.8
79.05504	2.8
80.38153	1.0
81.03448	1.1
81.07039	5.7
81.73359	1.1
85.02934	1.3
91.05489	2.4
93.07049	2.9
93.24110	1.0
95.08606	4.3
97.06530	5.1
104.08327	1.0
105.03715	1.0
105.07044	2.9
107.08602	3.4
107.38681	1.1
109.06462	1.1
109.10158	2.5
111.04479	0.9
117.07030	1.4
119.08587	2.9
121.02859	4.3
121.06494	1.3
121.10174	2.7
131.00067	2.5
131.08580	3.1
135.04465	1.7
136.72322	1.0
139.11200	1.9
143.08569	1.9
145.10135	1.4
149.02353	100.0
153.07098	1.4
157.10141	2.8
159.11723	1.8
163.03897	4.7
167.03563	1.9
169.10220	1.2
171.11691	1.6
175.07599	2.8
181.06451	1.4
181.10022	1.4
185.06090	1.5
185.95969	1.0
197.13315	1.1
198.06793	1.1
199.07654	2.7
199.14864	2.1
203.05258	1.0
203.07033	4.7
277.21582	1.5
279.44211	1.3
295.13315	2.5
295.20374	1.8
295.24207	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.6
55.01866	8.8
55.05516	63.3
57.03434	5.9
57.07083	26.9
63.26523	2.9
65.03912	3.3
67.05513	56.3
69.03429	8.5
69.07076	73.3
71.04986	6.6
71.08634	3.8
71.49715	5.2
79.05499	27.6
81.03426	7.6
81.07063	55.6
83.04973	10.3
83.08615	12.9
85.06517	5.7
91.05492	19.7
93.07051	41.9
95.04971	11.5
95.08618	59.6
97.06551	26.1
97.10178	74.5
99.04459	4.5
99.08102	10.7
105.07027	25.9
107.04971	4.7
107.08592	29.6
109.06539	4.6
109.10168	61.3
111.08109	10.9
111.11712	7.5
113.09644	3.7
119.08582	21.1
121.02870	4.1
121.06496	6.2
121.10165	24.6
123.08092	9.0
123.11726	8.6
125.09654	22.1
129.07057	5.3
131.08566	4.7
133.10138	19.4
135.08012	3.6
135.11722	7.9
136.16254	2.8
137.09627	19.8
139.11191	45.5
141.09161	5.1
143.08592	5.1
143.10727	16.3
145.10129	4.7
147.11670	10.4
149.02351	100.0
149.13313	5.6
151.11166	11.5
153.12758	5.4
155.08612	3.4
157.10129	7.6
159.11722	7.2
161.09618	4.3
161.13254	10.0
163.03897	15.4
163.11131	5.4
165.09122	12.4
165.12830	3.8
171.11729	6.6
172.81190	3.6
173.13312	3.8
175.11243	4.2
175.14777	3.0
179.14304	8.8
181.12227	6.2
183.11687	3.1
185.13229	3.1
187.14798	3.1
189.12856	4.5
199.07681	3.6
199.14865	7.7
203.07101	8.6
217.15854	4.7
231.21167	7.7
241.19762	4.1
249.22217	12.1
259.16937	4.9
259.20554	10.2
277.21667	49.0
295.13364	5.7
295.19885	5.0
295.22745	54.4
304.57138	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	295.1291
Annotation	gamma-Glutamylphenylalanine
Peak:m/z	Relative Intensity
50.25764	0.3
51.02365	0.4
53.03939	0.7
55.01859	0.3
56.05046	1.5
67.05494	0.5
68.99787	0.3
69.03427	0.4
69.07062	0.4
69.64612	1.9
77.03931	2.6
79.01846	0.4
79.05477	1.6
84.04507	33.6
85.02876	0.6
91.05466	0.7
93.07046	1.3
95.04970	1.0
98.21530	0.4
101.14820	0.3
102.05522	0.7
103.05466	7.9
105.03391	5.2
105.04505	0.4
107.04953	3.7
117.03438	0.3
120.08105	100.0
121.02853	0.6
121.08453	0.5
123.04436	2.5
130.05003	5.3
131.04932	4.7
132.95862	0.5
133.02856	15.0
136.07594	0.4
137.05949	0.4
139.38515	0.4
146.05992	0.5
147.04448	0.8
148.03940	1.5
149.05992	2.7
150.07770	6.2
150.96880	0.4
151.03961	0.4
161.02325	1.7
163.03915	0.5
165.06950	0.5
166.08643	39.7
177.05455	0.5
179.03400	7.9
186.09149	6.8
208.99023	0.4
216.98016	0.3
221.05997	2.8
232.09714	5.2
239.07207	0.3
249.05493	1.8
267.06451	0.5
278.10181	4.7
295.06094	5.9
295.09290	0.5
295.12930	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	295.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90591	0.9
52.16298	0.8
55.45197	0.8
64.42609	0.7
69.03432	7.4
69.13364	9.2
76.10815	0.7
76.69785	0.7
78.73631	0.9
79.05477	0.9
85.02886	1.2
89.03922	4.0
97.02895	10.3
97.06583	0.9
98.20710	1.7
107.04947	1.7
115.03944	10.1
116.22834	0.7
117.03400	8.4
123.04444	1.4
135.04422	14.9
136.51476	0.8
139.16447	0.8
145.02843	13.8
145.03893	1.5
163.03909	100.0
213.05472	2.0
217.04938	10.0
231.06493	1.0
241.04869	1.7
277.04471	0.8
277.07123	9.7
295.08304	2.0
307.99817	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0813
Annotation	Vittarilide B
Peak:m/z	Relative Intensity
59.23797	0.7
67.05479	0.8
69.03430	8.4
69.94959	2.3
74.83215	0.7
79.05499	1.1
85.02894	1.8
85.76413	0.7
89.03905	4.1
97.02897	13.0
104.15176	0.6
105.07018	0.8
107.04951	2.5
115.03939	10.0
117.03396	9.0
123.04449	1.6
135.04428	15.6
145.02870	13.4
145.03993	1.2
147.04459	1.2
163.03917	100.0
164.04295	0.8
172.83055	0.6
201.05473	0.9
213.05505	1.2
215.07156	0.7
217.04945	9.0
221.06027	1.0
231.06396	1.0
241.04819	1.1
277.07053	9.8
295.05624	1.0
295.08533	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0813
Annotation	Vittarilide B
Peak:m/z	Relative Intensity
55.01870	0.5
58.86449	0.3
69.03430	7.7
70.09431	1.5
79.05483	0.8
85.02894	1.4
87.04454	0.4
87.23838	0.3
89.03922	4.3
91.05457	0.3
97.02895	12.2
107.04950	2.2
115.03930	10.2
117.03382	8.6
123.04427	1.4
133.02904	0.4
135.04422	14.6
145.02856	14.0
145.04027	0.6
147.04414	0.7
157.06491	0.5
159.26480	0.3
161.05962	0.8
163.03908	100.0
164.04233	1.0
173.06009	0.6
175.03963	0.7
177.05429	0.3
181.04860	0.4
185.05980	0.5
189.05457	0.7
201.05489	0.6
203.07051	0.6
213.05408	1.6
217.04976	9.5
231.06584	1.3
241.04930	1.6
257.50299	0.3
259.06036	1.2
277.07111	8.5
288.86087	0.3
295.08453	2.0
308.09091	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0452
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01592	1.1
51.02380	2.7
53.03953	3.6
55.01871	1.4
67.05494	2.0
68.99796	3.3
69.03426	1.6
70.06590	0.5
71.01369	0.8
71.48534	0.8
73.02918	0.6
77.03936	20.2
79.01851	1.6
79.05509	1.0
79.21947	0.4
81.03428	0.9
84.04491	1.0
84.08156	0.9
85.02936	0.9
86.09727	0.5
87.04482	0.9
89.02439	0.9
89.03915	1.1
91.05491	3.7
93.07061	0.8
93.11491	0.5
95.04973	5.2
97.02896	1.4
99.00850	1.5
103.05492	0.6
105.03401	44.6
105.04541	1.7
107.04952	6.7
109.02847	0.6
111.04459	0.6
115.03954	0.9
117.03359	1.5
119.04941	0.7
120.08115	2.3
121.02839	1.0
123.04441	15.2
130.06523	1.2
132.95888	1.0
133.02864	100.0
134.03587	0.7
134.08174	0.6
135.04443	3.0
136.06183	1.3
136.07585	1.2
137.02330	1.1
137.05968	0.9
141.07039	0.9
145.02876	2.8
147.04410	0.7
149.06012	0.7
150.07767	8.9
151.03911	6.1
151.05927	0.6
161.02354	12.2
162.04089	0.8
163.03928	8.1
164.04427	0.6
165.07019	13.0
166.08740	0.7
169.06512	0.6
169.40878	0.5
172.08435	0.6
173.02344	1.8
174.96851	0.7
175.05446	0.7
175.08687	0.8
176.06276	0.6
177.05441	2.6
177.06906	0.8
179.03410	51.0
186.09122	1.1
191.03418	0.9
191.07214	0.6
192.03812	1.2
192.05452	0.5
193.06487	8.3
197.05943	0.8
200.07910	0.7
203.05013	1.1
205.06456	1.3
211.07565	2.2
221.05991	62.3
225.05478	1.1
225.91783	0.5
231.04515	0.7
231.11334	7.7
233.06142	0.5
239.07018	6.3
249.05486	39.9
250.06120	1.7
253.04932	1.2
263.07022	0.6
266.05774	1.0
267.06537	5.4
271.05945	1.5
277.05029	14.9
285.07632	1.3
295.06042	89.0
295.13416	7.2
296.06335	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.045
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01602	0.8
51.02374	2.9
53.03947	2.8
55.01869	0.9
57.04554	0.6
63.02378	0.4
65.03941	0.4
67.05494	1.7
68.99790	3.0
69.03433	0.9
69.60419	2.7
71.01349	1.3
71.13407	0.4
77.03933	20.2
79.01847	1.2
79.05489	1.3
80.76976	0.4
81.03425	1.0
84.04505	1.7
84.08137	1.1
85.08492	0.5
86.09830	0.5
87.04451	0.4
89.02398	1.5
89.03911	1.0
91.05485	0.6
93.07070	0.5
94.04040	0.8
95.04971	6.1
95.06107	0.5
97.02904	0.7
98.97542	0.6
99.00815	1.2
101.91074	0.4
105.03398	37.5
105.04533	1.9
106.03749	0.5
107.04958	6.1
109.02858	0.7
111.04477	0.7
117.03387	2.0
119.05015	0.5
120.08134	1.0
123.04432	13.9
123.06631	0.7
130.05006	1.3
133.02859	100.0
134.03610	0.6
135.04422	1.7
136.06209	0.7
143.08565	0.5
145.02846	3.1
146.05980	0.5
149.05983	0.7
150.03214	0.7
150.07758	37.3
151.03914	5.9
161.02347	11.0
163.03915	5.1
165.07024	1.6
166.08621	0.5
173.02376	0.8
177.05484	3.5
178.02629	0.5
179.03404	49.8
180.03680	0.6
181.06253	0.5
193.06483	1.1
197.06003	0.6
198.12386	0.7
205.06596	0.4
211.07539	0.5
214.99959	0.6
217.04884	0.8
221.06021	6.9
221.08012	0.8
235.07608	1.0
239.06964	0.5
249.05508	3.7
262.97198	0.4
263.06982	0.9
267.06619	0.8
268.89658	0.4
274.71381	0.4
277.03036	0.4
277.05222	0.5
277.07904	0.4
280.07858	0.4
295.06021	9.0
295.08902	0.5
295.16718	0.9
296.06180	0.5
313.06522	0.5
316.86966	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.5
55.05515	20.3
56.05025	0.7
56.36484	0.4
57.05824	1.6
67.05514	0.4
71.32269	0.3
72.08160	100.0
74.61184	0.5
88.06158	0.3
93.07094	0.4
94.06572	3.2
98.21525	1.1
102.05496	0.4
137.05949	0.4
143.77039	0.4
149.02409	1.0
150.02702	0.9
179.11819	3.7
185.40292	0.3
201.88370	0.3
251.54567	0.4
276.12399	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.4
53.03951	1.6
55.05509	4.7
60.08162	3.2
61.04055	0.7
61.53444	0.3
66.10896	0.3
69.33947	2.6
72.08154	10.5
73.06554	9.6
77.03932	0.4
86.06073	5.7
90.09196	6.9
92.05013	0.9
93.05825	0.4
93.07066	0.3
94.06568	100.0
95.04961	1.4
95.06910	0.5
103.08723	1.7
105.04523	0.6
107.08634	0.3
109.10139	0.3
109.79488	0.3
113.49473	0.3
116.07095	27.0
119.06087	0.3
120.04462	2.5
136.06055	0.3
137.07115	1.8
161.15881	0.3
175.14442	2.3
179.11792	36.0
205.09792	0.3
222.12375	7.9
276.20444	0.3
294.18088	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2475
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
51.16866	1.7
53.03932	2.0
55.05513	9.0
56.18458	1.8
57.07069	6.4
62.70736	1.8
65.03937	3.0
67.05505	94.8
69.07068	13.0
71.49484	3.1
73.57288	2.0
79.05490	13.9
80.36930	1.7
81.07056	100.0
83.08611	7.9
85.06556	3.1
86.53315	2.0
91.05485	8.1
93.07052	14.9
95.08606	81.1
96.28840	1.8
97.06505	4.0
101.76849	1.8
103.13044	1.8
105.07030	8.1
107.08599	9.8
109.06518	2.0
109.10157	45.8
111.08102	2.3
117.06979	5.0
119.08578	7.9
121.10142	14.9
123.11706	30.0
125.09582	2.2
129.06972	2.4
131.08595	5.1
133.10109	5.8
135.11688	6.2
137.09616	2.9
137.13269	11.9
145.10103	6.3
147.11650	4.5
149.13271	3.8
151.11171	2.8
151.14825	4.6
159.11670	3.8
161.13252	5.0
163.11122	3.4
163.14833	4.1
165.16441	2.3
173.13264	5.1
177.16394	3.0
179.14282	2.3
181.04945	2.2
187.14864	5.2
191.10658	3.8
191.14322	3.0
201.16483	2.8
209.11682	5.9
237.11208	8.8
237.18423	2.0
243.21060	8.7
261.22183	7.7
275.20053	3.8
292.17123	1.7
293.17682	2.2
293.21793	4.9
293.24915	26.4
310.10382	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	293.211
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03936	0.9
55.01872	1.7
55.05510	2.6
57.03431	0.4
57.06799	0.5
57.07074	8.2
65.03932	0.4
67.05505	4.5
68.99783	0.8
69.07063	2.0
71.01338	0.5
71.04982	0.6
71.08635	1.9
77.03941	0.4
79.05499	5.4
80.61422	0.3
81.03406	1.2
81.07056	4.1
83.04971	2.3
83.08592	1.0
85.06537	0.7
91.05481	3.3
93.07043	3.3
95.04379	0.4
95.04967	6.1
95.08614	2.4
97.06512	1.1
97.10143	0.6
99.08096	1.1
105.07037	2.7
107.04947	4.0
107.08588	1.9
108.05734	1.7
109.02845	1.0
109.06522	2.3
109.10129	0.9
110.78749	0.3
111.04445	4.2
111.08098	0.8
117.06999	1.2
119.08603	1.9
121.05681	0.5
121.06508	7.5
121.10149	2.0
123.08108	0.8
123.11683	0.5
125.05978	1.1
125.09621	0.4
129.06961	0.4
131.08551	1.3
131.52391	0.3
132.05157	0.4
133.10109	0.8
135.04407	1.2
135.08038	1.2
135.11687	0.7
139.03891	0.6
141.06947	0.4
141.58394	0.3
145.10091	1.5
147.11626	0.4
149.09650	1.5
151.07536	0.4
151.11186	1.6
153.05470	3.5
153.09160	0.3
157.10121	0.4
159.11682	0.6
161.09616	0.5
163.03931	1.1
163.11182	1.6
164.11998	1.1
165.12753	4.3
167.10677	0.7
173.09663	0.6
173.13292	0.4
175.11143	0.4
177.09079	0.5
177.12766	1.2
181.04970	5.0
181.12257	1.2
183.11551	0.4
191.10661	4.7
195.10136	1.6
195.13792	0.3
201.12875	0.4
209.11716	10.3
219.10129	1.6
223.13371	0.9
233.15204	0.3
236.14050	0.3
237.11230	19.2
237.14932	0.7
265.18021	0.8
275.17245	0.3
275.20099	1.6
293.21109	100.0
294.21457	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	Colnelenic acid
Peak:m/z	Relative Intensity
50.84391	2.1
53.03939	5.8
53.61156	1.9
55.01870	10.3
55.05516	39.0
57.03437	5.4
57.07067	4.1
59.04996	3.2
65.03934	4.8
67.05509	59.3
69.03426	5.9
69.07072	36.4
69.18053	21.9
70.07380	3.6
71.04984	6.9
71.08620	2.1
75.14416	2.0
77.03928	2.2
79.05501	53.1
80.05825	4.2
81.03418	8.0
81.07059	80.7
82.07389	3.5
83.04982	24.0
83.08622	18.4
84.05305	6.2
85.06531	3.9
91.05487	46.0
92.05803	6.2
93.06486	4.4
93.07045	58.7
94.07373	7.4
95.04976	18.8
95.08612	50.5
96.08946	6.1
97.06534	20.3
97.10177	10.4
99.04462	3.0
105.07040	43.0
107.04955	11.9
107.08601	44.6
109.06521	16.2
109.10156	24.3
111.08088	6.1
117.07041	11.6
119.04936	9.3
119.08578	24.5
121.06499	7.7
121.10146	23.8
123.08070	8.9
123.11710	9.6
125.09639	13.8
129.07034	4.5
131.08554	18.2
133.10135	26.9
135.08049	7.0
135.11667	12.3
137.05980	62.1
137.09596	8.2
137.13181	2.3
138.06326	39.5
139.11188	40.7
140.11520	34.3
141.06987	4.1
143.08568	6.6
145.10117	19.4
147.04460	3.2
147.07997	2.6
147.11711	20.6
149.09630	17.0
149.13251	6.9
151.11275	10.3
153.05476	2.9
155.08522	4.8
157.10132	7.9
159.11647	15.3
161.13289	5.2
163.07484	2.1
163.11118	13.2
163.14856	2.9
165.09081	5.8
165.12750	4.7
169.10127	5.5
171.11691	4.3
173.13251	10.7
175.11255	5.0
177.12634	3.3
179.03397	3.2
183.11700	5.8
187.11237	4.9
187.14769	4.0
189.11157	6.2
197.13316	4.8
211.14720	2.4
215.17966	2.5
219.13849	2.5
229.19484	5.2
232.14139	4.8
233.15656	2.4
233.18919	2.6
233.69894	2.4
239.17978	6.6
247.20628	7.4
257.15311	3.2
257.18988	12.9
261.14606	2.5
275.16708	6.6
275.20053	100.0
276.16769	79.1
293.10367	3.9
293.17282	3.0
293.21378	29.7
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-OxoOTrE
Peak:m/z	Relative Intensity
50.28846	2.7
52.43095	2.1
53.03951	4.3
55.01868	13.4
55.05515	62.1
56.76730	2.2
57.03430	2.6
57.07066	6.6
59.14450	2.3
59.96103	2.1
63.89203	2.2
65.03924	3.6
67.05506	44.7
69.03416	2.8
69.07079	12.2
69.07377	2.1
70.10345	6.8
70.10725	4.0
71.04984	2.9
71.08613	2.9
74.13382	2.2
79.05499	88.2
81.03404	4.2
81.07053	33.8
83.04977	16.2
83.08617	22.6
91.05485	32.8
93.07053	36.6
95.04979	9.8
95.08601	17.7
97.06536	9.2
97.10176	27.7
99.08129	2.6
102.03793	2.7
105.07034	30.8
107.04967	50.1
107.08599	60.4
109.06496	4.7
109.10156	19.9
111.04454	4.6
111.08049	4.7
117.07011	15.6
119.08592	23.1
121.06547	4.5
121.10143	13.0
123.11698	6.1
125.09652	40.2
125.10487	2.9
129.07021	2.5
131.08549	15.9
133.10132	19.0
135.08078	10.7
135.11705	5.1
145.10126	11.6
147.11708	19.4
149.09628	100.0
149.13268	2.5
153.09087	6.5
157.10158	2.6
159.11710	8.9
161.13306	5.6
169.12297	5.0
171.10255	5.4
171.11652	4.8
173.11823	3.7
173.13277	6.5
177.12816	5.8
183.11700	3.7
187.13274	4.9
187.14818	2.4
189.11221	23.4
191.10716	3.3
195.93852	2.4
209.11768	5.0
215.17989	2.8
229.19547	8.2
237.11241	10.2
239.18059	3.2
247.20584	4.2
257.18976	22.6
275.20081	98.6
293.21194	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	12-OPDA
Peak:m/z	Relative Intensity
52.33974	1.2
53.03950	2.1
54.28429	1.2
55.01872	3.4
55.05511	12.2
57.02208	1.1
57.07069	3.2
61.13022	1.3
62.54605	1.1
67.05502	32.5
69.03427	1.6
69.07069	25.9
69.52419	7.5
71.04971	1.7
72.23957	1.2
78.21957	1.3
79.05495	23.3
81.03423	2.4
81.07055	29.8
83.04994	9.5
83.08607	5.3
85.06535	2.4
91.05475	21.3
93.06489	2.1
93.07047	24.5
95.04967	7.8
95.08605	24.8
97.06528	4.0
97.10147	3.0
105.07027	29.8
107.04966	6.6
107.08585	16.0
109.06525	11.1
109.10151	11.4
111.08084	2.7
116.19488	1.3
117.07014	6.6
119.08607	12.1
121.06502	8.8
121.10149	8.3
123.08079	5.3
123.11683	3.4
128.79900	1.2
129.06981	1.8
131.08569	15.5
131.21909	1.4
133.06487	2.5
133.10139	19.3
135.08072	4.3
135.11702	5.3
137.09602	2.4
143.08546	3.2
145.06451	2.7
145.10121	14.6
147.08006	2.1
147.11687	12.1
149.09627	5.9
149.13261	3.0
151.11179	7.9
155.08635	1.6
157.10101	2.0
159.08089	3.8
159.11688	7.5
161.09605	3.5
161.13268	4.4
163.11203	5.3
171.11806	2.5
173.09682	1.8
173.13284	5.3
175.11142	3.1
177.12727	2.8
183.11684	2.4
187.11234	3.2
187.14877	1.8
191.14304	3.2
197.13293	2.0
201.12740	3.2
207.13815	3.0
215.14359	1.4
215.17990	2.2
219.13812	4.9
229.19496	2.4
231.08687	1.3
233.15382	1.8
239.17960	3.2
247.20612	2.9
256.46658	1.4
257.18973	12.6
275.20068	100.0
276.20349	1.7
293.21112	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	293.2113
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03944	5.9
55.01863	7.7
55.05514	25.8
57.03422	4.2
57.07080	8.2
59.66229	1.6
65.03934	2.2
67.05508	52.0
69.03438	2.5
69.07072	32.5
70.62623	4.8
71.04986	2.4
78.70985	1.6
79.05498	48.6
81.03409	5.8
81.07058	100.0
83.04972	7.5
83.08617	13.7
85.06525	2.3
91.04982	3.0
91.05488	36.7
93.07051	36.6
94.96739	1.7
95.04973	19.1
95.08616	33.4
97.06532	7.9
97.10156	4.2
103.71562	2.0
105.07024	34.5
107.04948	7.2
107.08594	26.6
109.06509	26.4
109.07196	2.9
109.10157	24.6
111.08061	6.8
115.07546	3.3
117.07027	13.8
119.08570	35.9
121.06506	5.7
121.10146	15.6
123.08069	15.6
123.11704	6.4
125.09652	3.8
125.87421	1.7
129.07034	3.3
131.08565	15.0
131.09444	2.5
133.06465	2.9
133.10132	26.5
135.08014	10.4
135.11690	6.8
137.09631	15.1
141.01009	3.0
143.08543	4.1
145.10126	12.2
145.26634	1.6
147.11703	20.1
149.09615	11.2
149.13287	4.1
151.11215	8.0
151.12244	1.7
155.02695	2.1
155.08549	3.4
157.10101	6.2
159.11768	9.2
161.09663	2.7
161.13237	3.9
161.14517	1.5
163.11188	6.9
165.12701	3.4
169.10052	1.9
171.11618	3.3
173.09633	2.4
173.13234	7.3
175.11259	2.3
177.12688	1.7
180.39119	1.6
183.11684	3.5
187.14709	2.3
197.07225	10.9
197.13283	1.8
201.12936	1.7
205.12099	2.0
209.11679	1.8
215.14444	3.1
229.19533	3.4
237.11197	3.1
237.14807	2.1
239.17938	3.8
247.20544	6.2
257.18890	9.4
275.20078	60.4
293.17847	2.7
293.21100	41.4
294.10123	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	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03937	7.2
55.01862	8.0
55.05514	20.1
57.03432	4.5
57.07053	3.2
65.03939	2.7
67.05503	44.9
67.44614	1.9
69.07069	21.5
70.74653	3.7
71.04988	5.5
79.05494	44.7
81.03410	7.5
81.07059	100.0
83.04967	7.2
83.08626	14.6
85.06555	4.9
91.05483	35.9
92.13750	2.3
93.07043	31.3
95.04977	21.3
95.08611	30.1
97.06522	8.5
97.10162	3.9
102.02708	1.8
105.07034	37.7
107.04947	7.9
107.08592	24.5
109.06520	26.8
109.10160	19.0
111.08077	7.1
117.07024	9.1
119.08578	35.9
119.45201	1.8
121.06473	6.4
121.10143	18.2
122.91587	2.0
123.08054	17.9
123.11694	6.9
125.09621	3.9
129.06972	2.1
131.08569	15.9
133.10133	21.8
135.08054	8.3
135.11688	6.6
137.06017	2.3
137.09587	10.3
139.11212	2.1
141.40895	2.1
143.08501	3.4
145.06516	2.1
145.10124	17.8
147.11716	17.0
149.09636	11.5
149.13287	3.2
151.11151	5.6
155.08511	1.8
157.10126	4.4
159.11690	7.7
161.13261	3.3
163.11201	9.6
165.12689	2.3
166.26628	1.8
171.11684	2.2
173.09662	2.3
173.13284	6.9
183.11713	2.6
187.11133	2.1
187.14816	3.0
189.11267	2.0
197.13368	3.3
201.12714	3.1
229.19600	2.8
237.14867	2.7
239.17844	2.4
247.20560	3.5
257.18887	9.0
275.16980	4.1
275.20041	55.8
293.21063	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	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.77563	2.4
53.03935	6.2
55.01871	14.8
55.05516	29.2
57.03421	3.4
57.07060	3.5
57.26221	2.2
59.04997	2.4
67.05174	3.5
67.05505	34.5
69.03412	3.0
69.07072	19.1
70.95908	2.3
71.04984	3.9
74.21217	2.1
79.05075	3.5
79.05499	54.1
80.75166	2.3
81.03436	4.5
81.07059	35.6
83.04969	7.3
83.08619	16.5
85.06538	3.6
85.13158	2.0
85.17660	2.5
87.50854	2.2
91.05490	26.7
93.06577	2.5
93.07055	30.8
95.04963	9.4
95.08615	22.4
97.06530	21.2
97.10179	14.8
105.07032	35.5
107.04941	9.9
107.07888	4.2
107.08601	76.8
109.06517	7.5
109.10153	12.4
110.25153	2.6
111.08072	4.8
115.24621	2.3
117.07008	10.1
118.04115	2.1
119.08605	19.0
121.06494	6.9
121.10155	18.3
122.03614	5.0
123.08038	6.2
123.11674	3.9
125.09617	14.1
126.73929	2.2
131.08585	13.2
133.10123	22.3
135.08023	6.8
135.11717	3.8
137.05988	60.5
137.09573	3.0
141.06982	3.3
143.08553	3.9
145.10130	18.3
147.11674	11.3
149.09607	23.8
151.11215	5.0
157.10091	5.8
159.11661	10.0
161.13255	4.7
163.11256	6.4
165.09132	7.3
171.11629	4.1
173.13197	5.5
177.12711	3.2
183.11713	2.9
187.11180	3.7
189.11183	10.9
205.15948	2.5
215.17856	3.0
229.19525	5.7
237.11119	2.9
239.17934	4.4
246.16057	2.7
247.20457	7.9
257.19058	13.4
275.20068	100.0
293.21008	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	293.211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.01872	1.7
55.05510	2.6
57.03431	0.4
57.06799	0.5
57.07074	8.2
65.03932	0.4
67.05505	4.5
68.99783	0.8
69.07063	2.0
71.01338	0.5
71.04982	0.6
71.08635	1.9
77.03941	0.4
79.05499	5.4
80.61422	0.3
81.03406	1.2
81.07056	4.1
83.04971	2.3
83.08592	1.0
85.06537	0.7
91.05481	3.3
93.07043	3.3
95.04379	0.4
95.04967	6.1
95.08614	2.4
97.06512	1.1
97.10143	0.6
99.08096	1.1
105.07037	2.7
107.04947	4.0
107.08588	1.9
108.05734	1.7
109.02845	1.0
109.06522	2.3
109.10129	0.9
110.78749	0.3
111.04445	4.2
111.08098	0.8
117.06999	1.2
119.08603	1.9
121.05681	0.5
121.06508	7.5
121.10149	2.0
123.08108	0.8
123.11683	0.5
125.05978	1.1
125.09621	0.4
129.06961	0.4
131.08551	1.3
131.52391	0.3
132.05157	0.4
133.10109	0.8
135.04407	1.2
135.08038	1.2
135.11687	0.7
139.03891	0.6
141.06947	0.4
141.58394	0.3
145.10091	1.5
147.11626	0.4
149.09650	1.5
151.07536	0.4
151.11186	1.6
153.05470	3.5
153.09160	0.3
157.10121	0.4
159.11682	0.6
161.09616	0.5
163.03931	1.1
163.11182	1.6
164.11998	1.1
165.12753	4.3
167.10677	0.7
173.09663	0.6
173.13292	0.4
175.11143	0.4
177.09079	0.5
177.12766	1.2
181.04970	5.0
181.12257	1.2
183.11551	0.4
191.10661	4.7
195.10136	1.6
195.13792	0.3
201.12875	0.4
209.11716	10.3
219.10129	1.6
223.13371	0.9
233.15204	0.3
236.14050	0.3
237.11230	19.2
237.14932	0.7
265.18021	0.8
275.17245	0.3
275.20099	1.6
293.21109	100.0
294.21457	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.57955	1.9
52.21605	1.7
53.03941	9.1
55.01875	10.3
55.05513	22.6
56.96569	2.6
57.03429	6.0
57.07078	4.6
65.03934	3.3
66.66136	2.0
67.05505	48.5
69.03433	3.2
69.07068	24.4
69.74097	3.6
69.74510	6.4
71.04969	4.4
71.08624	1.9
79.05498	55.5
81.03417	7.9
81.07059	100.0
83.04987	8.9
83.08624	15.1
85.02943	2.0
85.06532	3.5
91.05480	38.4
93.07047	34.2
95.04972	17.2
95.08608	26.5
97.06531	13.6
97.10182	2.8
98.21404	3.6
103.05502	2.4
105.07036	39.3
107.04951	13.3
107.08593	24.2
109.06521	32.8
109.10152	10.0
111.04430	2.3
111.08076	5.5
115.05460	2.5
117.07033	17.8
119.08601	20.1
121.06507	9.9
121.10127	16.9
123.08074	14.6
123.11720	6.8
125.09635	3.8
129.07030	4.8
131.00186	2.9
131.08559	23.0
133.06522	4.5
133.10149	17.4
135.08075	8.3
135.11679	8.1
136.95763	2.2
137.09619	4.9
141.06976	5.2
145.10127	15.1
147.08063	2.1
147.11670	14.8
149.09639	14.6
149.13266	8.0
151.11166	3.1
153.05486	2.2
155.08568	4.8
157.10144	7.3
159.11670	11.5
161.13284	3.1
163.11192	8.4
163.14819	2.5
165.09177	2.0
165.12767	3.7
171.11694	2.6
173.09653	5.5
173.13182	12.1
175.11209	5.5
175.14815	2.1
177.12769	3.2
183.11717	8.3
185.13206	4.7
188.18161	2.1
193.12218	4.0
201.12778	9.4
203.14372	3.3
209.11790	2.6
215.14311	4.2
219.13948	3.0
223.13309	3.5
229.19429	3.9
239.18085	2.5
247.20624	6.4
251.28899	1.9
257.19028	9.1
275.16916	3.1
275.20074	59.7
293.17630	10.3
293.21127	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	293.2111
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03949	5.6
55.01873	12.8
55.05515	34.0
57.03432	3.7
57.07069	3.2
58.52360	1.5
65.03924	2.1
67.05186	2.3
67.05513	31.3
69.03429	4.9
69.07072	18.9
69.42660	11.3
71.04992	4.1
79.05496	58.9
81.03421	5.9
81.07059	36.0
83.04992	9.5
83.08630	13.1
85.06549	3.6
88.07622	2.3
89.19312	1.6
89.64828	1.4
91.04913	1.8
91.05484	35.5
93.07054	32.4
95.04971	11.8
95.08612	20.8
97.06553	16.7
97.10172	19.3
98.20795	3.0
103.05526	2.0
105.04585	2.1
105.07038	39.4
107.04948	13.8
107.08599	100.0
109.06518	8.6
109.10150	11.7
111.04378	1.5
111.08115	3.6
115.05468	2.8
117.07025	11.6
119.08600	19.6
121.06519	7.2
121.09387	2.4
121.10139	12.2
123.08067	5.1
123.11713	3.6
125.09635	17.4
129.07021	4.0
131.08548	12.7
133.10147	22.4
135.08049	8.5
135.11687	8.1
136.08356	1.8
137.09659	2.8
141.06911	1.9
143.08572	2.4
145.10132	16.6
147.08031	2.4
147.11711	12.4
149.05989	2.2
149.09630	23.0
149.13295	2.5
151.11214	5.7
155.08525	1.9
157.10150	2.8
159.08014	2.0
159.11694	11.2
161.07135	1.9
161.09650	2.4
161.13274	3.7
163.11203	5.3
165.09113	5.5
169.10129	3.6
171.10268	2.0
171.11726	3.1
173.13278	7.3
175.11241	3.2
177.12688	3.7
177.16481	2.2
183.11646	2.4
187.11290	2.2
187.14883	1.9
189.11237	10.6
197.13193	2.8
201.12712	2.0
211.14883	2.1
229.19650	3.9
239.17923	4.5
243.25179	2.5
247.20628	3.4
257.19104	11.9
262.37051	1.4
275.20084	95.3
293.21103	17.9
293.27817	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	293.2111
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
52.30876	1.8
52.54895	1.7
53.03956	4.5
55.01884	11.7
55.05513	27.0
57.03436	5.8
57.07064	3.1
63.43296	2.0
65.03942	2.1
67.05508	34.7
69.03442	2.7
69.07076	22.3
69.16441	6.9
69.16860	14.0
71.04982	4.1
71.08689	1.9
79.05497	47.2
81.03407	6.7
81.07059	43.9
83.04980	5.7
83.08622	9.9
85.06534	4.1
91.05489	33.3
93.07048	33.5
95.04960	14.0
95.08607	24.1
97.06531	14.7
97.10177	11.6
105.06407	2.7
105.07034	31.0
107.04959	13.0
107.08593	61.3
109.06527	13.6
109.10175	13.8
111.08092	4.1
117.07035	10.0
117.15724	1.8
119.08578	21.1
121.06497	8.0
121.10140	12.2
123.08056	5.0
123.11726	3.4
125.09660	9.7
128.06277	2.9
129.07021	5.0
131.04985	2.1
131.08569	15.0
133.06525	2.5
133.10150	18.4
135.08044	10.2
135.11673	7.8
137.09622	6.6
143.08588	4.8
145.10147	17.8
147.11688	14.5
149.06015	3.2
149.09621	17.1
149.13257	3.4
151.07494	2.3
151.11189	6.4
157.10144	2.4
159.08223	2.2
159.11681	12.4
161.09601	2.3
161.13284	6.9
163.03894	3.6
163.07550	2.8
163.11183	6.6
165.09143	6.4
169.10110	3.3
171.11652	3.5
173.09610	3.2
173.13255	6.0
175.11133	2.5
177.05481	32.8
177.12828	2.4
178.06268	30.8
183.11673	3.5
185.13242	4.0
185.45052	2.0
187.11183	6.3
187.14835	2.2
189.11223	8.2
191.07066	10.8
191.10648	2.6
196.55411	1.9
197.13290	2.1
203.14291	2.3
205.12274	4.2
215.10713	4.8
215.14249	2.4
219.17432	7.9
229.19492	3.8
233.11725	40.2
237.14742	3.1
239.17966	4.9
247.20555	7.4
257.19037	11.9
275.20078	100.0
293.21078	28.1
293.27832	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	293.1385
Annotation	40321-98-0
Peak:m/z	Relative Intensity
53.03928	0.8
55.05512	25.3
56.96558	0.3
62.03703	0.2
65.03941	1.2
67.05485	0.7
67.55666	0.3
69.07047	0.4
69.83930	1.3
70.27489	0.2
73.06559	8.4
79.05490	0.6
81.03421	0.3
81.07049	1.1
83.04995	0.3
91.05486	2.7
91.07555	0.4
93.03385	0.6
93.07039	0.8
95.04950	0.4
95.08595	0.8
98.20802	0.2
98.97586	0.5
105.07031	1.0
107.08582	0.5
108.08118	0.5
109.10139	0.7
109.65225	0.2
111.04504	0.4
115.05460	0.4
116.06213	0.3
117.07031	0.4
119.08560	0.8
120.08094	0.4
121.02012	0.4
121.02866	5.3
121.03978	1.2
125.09728	0.2
129.07005	3.2
131.08578	2.1
133.06453	0.4
133.10117	0.4
135.08064	0.4
137.05920	0.3
143.04929	1.3
143.08553	0.3
145.10158	0.4
147.04440	0.5
147.08058	0.6
149.02341	100.0
150.02652	0.6
157.06482	0.7
159.11653	0.3
161.05981	5.1
175.07542	17.8
185.05992	0.8
191.03391	0.6
203.07031	21.0
204.07524	0.3
206.82533	0.2
213.48613	0.2
214.15942	0.6
221.08067	0.9
231.06447	0.5
232.16989	1.9
237.14894	0.3
250.17941	0.6
257.20157	2.1
275.09189	1.0
275.12805	2.6
275.21182	2.7
293.10773	0.8
293.13919	2.0
293.21915	1.0
296.55301	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
55.05512	24.7
65.03931	1.9
67.05476	0.5
68.02175	0.3
70.77292	0.7
70.77633	0.3
73.06181	0.6
73.06557	9.0
79.05484	0.4
91.05477	2.4
91.64512	0.3
93.03404	0.5
95.08583	0.4
98.97588	0.6
116.98661	0.4
119.08541	0.4
121.02856	5.7
121.03976	1.1
129.07024	3.8
131.08589	1.9
143.04900	1.5
149.02342	100.0
157.06474	1.0
161.05989	4.4
167.03413	0.5
175.07549	17.6
185.06001	0.7
200.68965	0.3
203.07037	24.9
221.08029	0.7
275.12823	3.6
293.14093	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1167
Annotation	N 98-1021A
Peak:m/z	Relative Intensity
53.03956	2.8
55.01859	4.3
55.91932	1.3
59.06090	1.3
60.04532	1.6
61.01159	13.1
69.03429	2.9
69.69078	4.5
69.69503	4.4
72.04526	10.7
73.02907	2.4
78.03378	1.5
78.03800	27.5
81.03402	2.9
82.01553	1.3
83.04964	1.3
85.02916	21.7
86.06057	3.8
86.50513	1.3
91.05476	2.5
94.77036	1.4
97.02914	2.3
98.02403	2.2
99.04462	11.8
102.03774	43.3
103.02174	3.9
103.03945	33.1
104.01686	2.6
109.02880	6.1
112.20421	1.3
112.52279	1.3
114.03736	4.1
114.05536	2.4
119.04943	1.8
120.04813	9.7
126.05537	36.3
127.03920	11.4
131.06392	19.0
132.04790	17.2
133.02849	3.4
147.04416	1.5
147.05858	1.8
149.07452	100.0
152.07071	5.9
154.08594	2.4
156.06548	2.7
156.08592	1.3
174.07536	1.7
175.05408	4.3
177.05508	2.0
179.03354	4.8
180.06583	23.9
187.74976	1.3
190.06320	1.5
198.07614	6.7
216.08717	3.9
224.91432	1.3
231.11713	8.3
233.09615	2.3
257.09579	3.9
275.10605	3.9
293.08386	4.1
293.11667	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	293.0633
Annotation	Unknow
Peak:m/z	Relative Intensity
69.23091	1.8
69.37290	1.8
70.00538	1.9
70.39034	6.6
75.85625	1.8
82.89819	2.0
86.68323	1.8
91.72958	1.9
93.68628	2.4
111.32970	2.0
112.89607	2.2
143.01926	2.2
251.96352	1.9
293.06342	100.0
304.90973	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24092	0.6
57.38930	0.6
59.83180	0.5
59.99115	82.2
61.37515	0.7
70.59644	0.7
85.07669	2.9
91.00173	0.6
99.71400	0.7
101.99854	0.6
102.03773	100.0
106.06554	9.5
171.69106	0.7
187.09021	36.6
219.16879	0.7
250.10219	1.9
289.72943	0.6
292.14838	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	292.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.2
55.01869	1.8
55.05515	11.2
57.03433	4.7
67.05508	7.9
68.06929	1.0
69.03434	3.8
69.07065	11.4
69.55092	6.4
71.04998	2.6
71.08620	3.2
76.32793	1.0
79.05497	16.1
81.07059	5.0
83.04983	29.3
83.08618	1.9
88.96214	1.1
91.05482	18.7
93.07043	15.9
95.08603	12.5
97.06487	4.6
98.21519	1.7
105.07018	1.1
119.04947	13.2
121.06438	1.2
121.10136	4.5
133.06505	2.2
135.04449	1.6
137.05981	90.8
139.11182	93.9
147.04425	8.0
149.06009	3.0
161.05998	3.5
163.07576	2.2
184.33543	0.9
231.13834	7.3
257.15485	1.0
275.16422	100.0
276.16910	1.1
292.19067	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	292.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35560	0.3
56.11239	0.3
56.17014	0.3
57.07079	5.7
61.62259	0.3
65.03957	2.3
69.00913	0.7
71.49212	0.4
75.00191	4.5
77.03960	0.3
85.39417	0.3
92.05009	28.1
93.05792	6.1
124.02181	9.2
126.03751	8.7
133.07610	0.3
151.03253	1.3
152.01656	2.8
167.02792	0.3
177.01231	4.0
194.03848	100.0
195.04109	0.6
236.08533	33.5
237.08781	0.5
250.10112	6.8
250.12544	0.5
292.14813	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1179
Annotation	Obscurolide A1
Peak:m/z	Relative Intensity
50.33327	0.3
55.01860	0.6
56.96566	3.0
69.03419	0.7
70.06573	0.4
71.47677	0.4
72.93784	0.6
79.05465	0.6
83.95750	0.3
84.04527	0.4
85.02923	0.7
85.60094	0.3
87.04479	3.6
90.94807	0.5
91.05482	1.4
95.04962	0.6
97.02889	0.6
98.97603	1.0
105.07039	0.4
107.04956	1.2
109.06506	0.6
110.97566	0.7
111.04433	0.4
112.02196	1.1
112.07581	1.6
115.03919	0.5
115.05427	0.7
119.04938	0.5
120.08135	0.5
121.54945	0.3
122.09680	0.4
123.04430	0.9
128.98557	0.4
130.06540	0.5
130.08640	0.5
134.05986	0.4
137.05978	3.0
139.03886	0.4
143.00180	0.4
143.04951	0.6
144.00517	0.4
145.32005	0.4
146.99640	0.4
150.09135	5.1
157.01682	0.4
159.16161	0.3
160.07632	0.6
161.05975	1.5
162.05492	0.5
163.03952	0.4
163.06305	0.4
164.96085	0.3
173.14146	0.4
174.09142	1.0
176.07065	0.5
176.10718	0.8
177.07861	1.6
178.08641	9.9
179.12939	0.3
184.05139	0.4
184.15259	0.3
190.08652	1.1
194.97412	0.6
197.19620	0.4
199.06247	0.6
200.07014	0.5
201.07817	3.9
202.08727	2.2
204.10330	0.6
210.97089	0.4
214.08636	46.5
214.96423	1.1
217.07355	2.1
218.08174	1.2
219.87971	0.4
220.09642	2.6
228.10217	1.5
232.09747	1.6
237.02731	0.6
238.00858	0.5
240.98203	0.4
246.07420	0.5
246.11261	6.0
248.09192	3.9
249.08122	0.4
256.02100	0.9
256.09833	0.4
258.95065	0.3
269.00998	1.1
273.02509	0.3
274.03180	0.6
274.07736	0.6
274.10721	7.8
292.11798	100.0
293.12253	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.232
Annotation	5-Androstene-3beta,16alpha-diol
Peak:m/z	Relative Intensity
53.88505	1.6
55.01860	4.6
55.05522	11.3
56.05033	2.0
56.96553	5.0
57.03425	3.6
57.07069	3.6
61.02905	1.9
67.05509	15.9
68.39232	1.7
69.03427	3.6
69.07072	17.7
71.04990	13.4
71.06022	3.5
79.05497	16.3
81.03411	4.5
81.07059	20.7
81.97456	1.6
83.04996	3.5
83.08604	6.9
85.06545	5.6
87.04466	1.9
88.07618	6.2
89.07935	2.4
91.05484	16.3
93.07062	18.9
95.04948	6.4
95.08620	26.6
97.02873	2.8
97.06503	9.0
97.10139	2.3
98.98457	2.5
105.07037	23.0
107.05013	4.0
107.08594	24.5
109.06529	11.9
109.10170	24.3
111.08095	10.9
117.07018	6.6
119.08588	27.9
121.06499	4.3
121.10153	22.1
123.08083	8.9
123.11703	8.4
125.09614	4.4
129.06979	4.0
131.08601	8.5
133.06509	3.6
133.10135	21.9
135.08096	9.4
135.11757	9.0
137.05957	2.5
137.09656	2.1
142.07758	3.3
143.08545	4.3
145.10147	15.0
147.07964	4.2
147.11705	15.2
149.09592	8.3
149.13248	4.9
149.27200	1.9
151.07564	14.6
157.10133	3.0
159.11697	20.1
161.09615	3.7
161.13313	9.0
163.11223	9.2
163.14763	2.6
167.10742	2.3
171.11714	5.4
173.13300	7.8
175.11232	2.1
175.14854	13.2
177.05519	4.9
177.12703	11.5
179.14238	3.0
185.13281	4.3
187.14853	6.2
189.12738	4.4
189.16437	6.3
191.14258	2.0
199.14795	4.3
203.14308	2.3
207.13824	8.6
213.16451	2.6
215.17937	21.3
217.15913	5.4
229.19461	5.9
233.15291	3.8
233.19019	100.0
243.25116	6.7
247.20605	2.5
255.21054	7.6
273.15524	2.2
273.18591	7.0
273.22131	23.7
289.14795	5.0
291.16534	3.3
291.19534	37.6
291.23163	37.7
291.27100	20.4
302.59470	2.0
307.15894	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	291.2319
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03932	4.1
55.01858	1.6
55.05514	18.8
57.07064	2.7
59.67751	1.1
65.03918	1.6
66.08686	1.2
67.05507	38.0
69.03416	1.4
69.07071	15.9
70.69122	1.1
71.08636	2.1
73.06512	1.3
79.05496	72.2
81.07058	53.1
83.08619	10.7
83.71679	1.2
85.06522	3.5
91.04924	1.5
91.05486	28.4
93.07048	100.0
95.04956	4.9
95.08610	31.9
97.06517	2.8
97.10167	5.1
98.20719	2.4
99.08075	1.2
100.59303	1.0
105.04491	3.6
105.07030	18.8
107.08600	54.2
109.06520	2.8
109.10162	14.7
111.08050	1.9
115.07643	1.2
117.07022	2.7
119.08591	17.4
121.06542	1.4
121.10154	51.4
123.08051	2.6
123.11684	4.2
125.09637	2.1
129.07016	2.6
131.08604	6.1
133.10147	12.7
135.08026	3.4
135.11699	62.5
137.09621	2.5
143.08537	2.4
145.10103	6.1
147.08054	1.9
147.11690	12.9
149.09593	3.3
149.13266	39.0
151.07573	1.6
157.10129	3.2
157.55962	1.3
159.11667	6.2
161.13268	10.5
163.11203	3.9
163.14832	12.0
165.12749	1.4
167.10638	1.3
171.11690	4.6
173.13245	3.3
175.11188	2.5
175.14827	6.4
177.12769	3.1
185.13268	4.7
189.12662	1.4
199.14818	2.2
203.14375	1.5
207.13835	1.5
209.15350	1.4
213.16454	1.7
217.19543	3.5
221.15332	1.6
223.16783	1.4
231.17448	2.6
231.21051	1.9
235.16943	1.8
241.19583	5.5
249.18575	3.9
259.20560	9.7
291.19806	6.2
291.23190	72.1
292.23492	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1956
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
51.02377	0.8
53.03951	4.5
55.01876	8.7
55.05513	19.8
56.96557	2.0
57.03435	1.8
57.07075	2.0
59.04994	1.7
61.02921	1.8
65.03925	1.1
67.05509	18.4
69.03436	4.4
69.07070	8.3
71.04984	2.4
75.13319	0.7
76.71568	0.8
79.05495	34.5
81.03420	4.8
81.07061	39.7
83.04992	3.6
83.08620	9.8
85.02898	2.1
85.06535	1.7
91.03948	1.2
91.04903	1.5
91.05482	28.5
93.06495	1.3
93.07047	21.0
95.04971	14.5
95.08069	1.0
95.08614	13.2
97.02869	1.3
97.06550	2.0
97.10167	10.3
101.09714	0.7
103.05448	2.2
105.03377	2.5
105.07036	16.7
106.06558	3.8
107.04953	10.3
107.06875	1.9
107.08598	13.5
109.06518	5.4
109.10168	3.8
109.46947	0.7
111.04472	0.7
111.08058	3.0
115.05450	2.2
116.06190	1.3
117.07023	17.0
119.04922	3.9
119.08588	31.3
120.05760	1.1
121.06514	14.5
121.10135	7.7
123.04414	1.0
123.08085	4.2
123.11674	1.0
125.09644	8.2
128.06259	1.9
129.07010	7.4
130.07764	1.0
131.08586	12.5
132.05792	1.4
133.06497	6.6
133.10159	5.4
135.04413	1.0
135.08054	7.8
135.11674	2.1
137.05956	2.9
137.09608	2.2
142.07777	1.1
143.08577	8.3
145.06450	1.2
145.10133	14.0
146.70274	0.7
147.04472	0.8
147.08044	19.2
147.11636	1.5
149.06012	1.1
149.09615	6.5
151.07541	4.8
151.11136	1.0
153.09169	1.8
157.10124	6.5
159.08032	3.0
159.11707	4.2
161.09595	5.8
161.13251	1.0
162.10419	1.1
163.07596	1.0
163.11188	3.8
165.09090	0.8
167.10611	0.9
169.10100	1.3
171.11694	3.9
173.09601	1.3
175.11172	2.8
177.05554	1.6
177.09050	1.0
181.10196	1.3
185.13258	3.8
189.11211	3.9
189.12730	1.8
195.11667	1.5
199.11232	2.1
203.14500	1.0
207.13776	2.0
213.12721	1.3
223.13269	4.2
227.17938	2.5
231.13869	1.6
233.15395	1.1
237.16382	1.5
243.25198	0.9
245.18967	2.4
249.14882	9.0
255.17397	4.2
273.18512	28.3
289.14786	3.1
291.19547	100.0
292.19977	1.0
307.15964	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1956
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
55.01862	1.8
55.05508	7.6
56.96585	1.0
57.07067	2.1
59.05001	2.7
66.38090	1.2
67.05496	4.9
69.03435	3.2
70.55232	3.3
70.55588	1.5
71.04985	5.0
79.05507	8.3
81.07067	8.2
83.04971	3.2
83.08629	8.7
85.02896	1.5
85.06555	2.5
91.05473	5.4
93.07039	10.0
95.04963	5.3
95.08620	15.3
97.06531	4.5
105.07034	9.2
107.04968	14.0
107.08618	8.0
109.06561	6.6
109.10159	2.6
111.08089	44.7
113.09637	1.8
117.07043	1.7
119.08594	8.0
121.06501	2.2
121.10127	5.2
122.07307	1.4
123.07211	2.2
123.08077	34.7
125.09661	3.0
131.08583	4.3
133.06491	3.8
133.10167	8.6
135.08054	5.6
135.11671	2.7
137.09557	2.2
141.05499	1.2
143.08560	1.7
145.10129	4.2
147.08090	2.5
147.11679	4.4
149.09608	6.1
151.07556	100.0
155.10625	2.1
157.10133	5.4
159.08070	2.0
161.09566	2.5
163.11154	3.4
171.11681	3.4
173.09669	2.0
173.13287	4.0
174.10457	1.8
175.11192	5.5
177.09113	1.5
179.10670	5.8
179.58536	1.1
180.39059	1.3
181.12263	2.8
181.33221	1.1
187.14806	1.1
189.12750	27.4
191.10651	1.2
191.14330	11.2
192.11470	5.2
192.15263	1.1
197.11732	16.8
197.13336	1.8
207.13812	70.3
213.16380	2.4
215.14339	2.7
217.12273	3.5
231.17485	1.8
233.15388	34.6
235.13385	2.1
249.18532	2.4
255.17500	2.6
260.09995	1.1
273.18478	6.6
291.19540	52.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
52.79682	0.5
53.03944	1.2
55.01862	1.0
55.05513	4.9
57.03437	0.8
57.07083	3.0
59.05012	3.0
67.05502	4.8
69.03412	1.7
69.07066	2.3
70.06600	0.6
70.19479	2.4
71.05002	2.7
73.31330	0.5
79.05496	5.4
81.03413	0.6
81.07056	7.6
83.04975	1.7
83.08630	3.3
84.66972	0.6
85.02873	0.6
85.06532	2.8
87.15157	0.6
88.07619	1.3
91.05479	5.7
92.56597	0.6
93.07047	9.0
95.04971	4.3
95.08607	12.9
97.06525	2.5
99.04366	0.7
102.09184	0.8
105.07033	10.8
107.04957	4.9
107.08588	6.2
108.05724	0.7
109.06516	6.4
109.10158	3.5
111.04501	0.6
111.08086	26.5
111.40260	0.6
113.09623	1.0
117.07024	2.4
119.08590	7.7
121.06519	2.4
121.10168	5.4
122.07276	2.0
123.08068	34.6
123.11702	1.0
129.06963	1.5
130.07761	0.9
131.08574	5.6
133.06494	3.9
133.10135	8.5
135.08055	6.3
135.11678	3.6
137.09618	3.1
141.05426	0.7
143.08585	2.1
145.10118	11.8
147.08006	2.7
147.11697	5.2
149.09622	3.7
149.13245	0.6
151.07547	100.0
153.09102	1.0
155.08650	0.9
155.10640	1.2
156.09381	1.8
157.10115	4.7
158.10881	0.7
159.08098	2.1
159.11679	3.1
161.09622	4.6
161.13304	1.9
163.11176	3.9
167.10666	1.0
171.11687	3.4
173.09587	1.4
173.13252	4.5
174.10402	2.0
175.11200	3.6
177.09126	1.9
177.12787	1.9
179.10678	5.0
181.10152	0.7
181.12231	1.1
182.11015	0.5
185.13229	1.2
187.11168	2.7
187.14864	1.5
189.12756	26.0
190.26830	0.6
191.10718	1.0
191.14339	5.3
192.11441	5.3
193.12218	0.7
195.11746	0.8
197.11722	14.6
197.13300	2.3
203.14307	2.2
205.12193	0.7
207.13808	66.2
208.14090	0.9
213.16386	1.8
215.14276	3.2
217.12273	2.5
229.23541	2.6
231.17406	2.2
233.15381	13.3
235.13303	1.6
237.16446	0.8
249.18520	1.1
255.17474	2.4
273.18536	7.0
291.19562	43.6
291.27069	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	291.1956
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
53.03943	1.1
55.01867	1.3
55.05515	5.1
55.87477	0.4
57.03428	2.0
57.07081	3.8
59.04990	2.2
67.05510	6.6
69.03426	2.1
69.07065	2.8
69.38981	4.1
70.06592	2.2
70.18955	0.5
71.05013	2.6
71.06918	1.0
77.03939	0.8
79.05492	7.7
81.03425	0.9
81.07052	9.0
83.04990	3.0
83.08619	4.4
84.04486	0.5
85.02900	0.9
85.06535	2.9
88.07638	2.9
89.07984	1.0
91.05483	6.6
93.06486	0.9
93.07047	11.7
95.04974	3.8
95.08611	15.9
97.06547	3.6
102.09182	1.7
103.09493	1.0
105.07035	11.0
107.04963	5.4
107.08594	8.8
108.05727	1.1
109.06530	7.6
109.10159	4.4
111.04425	1.2
111.08085	30.9
113.05958	0.6
113.09631	0.6
117.07025	2.4
118.98043	0.5
119.08584	9.8
121.06512	3.0
121.10146	6.6
122.07291	1.7
123.08072	35.6
123.11716	1.9
125.09655	1.4
128.06261	0.6
129.07019	1.6
131.08582	6.5
133.06494	4.1
133.10143	7.4
135.08058	6.3
135.11720	3.8
136.86742	0.5
137.05995	0.7
137.09618	3.6
139.07437	0.6
141.05429	0.9
142.07805	1.0
143.08574	2.3
144.09303	0.8
144.46457	0.5
145.06505	0.6
145.10115	13.1
147.08044	2.7
147.11720	5.3
149.09619	6.1
149.13277	0.8
151.07547	100.0
155.08566	0.9
155.10677	1.2
156.09352	1.9
157.10144	4.9
159.08058	1.7
159.11688	4.4
161.09622	4.2
161.13274	1.8
163.11188	4.1
163.14778	0.7
165.09119	0.8
169.10153	1.0
169.12115	0.6
171.11696	4.3
173.09624	1.8
173.13286	5.2
174.10443	1.4
175.11234	3.2
177.05554	1.1
177.09149	2.1
177.12782	1.9
179.10684	5.1
181.12177	1.6
185.13274	2.0
187.11180	2.2
187.14897	0.7
189.12749	28.4
191.10654	0.9
191.14297	4.6
192.11432	5.8
195.11798	0.7
197.11739	13.4
197.13297	2.2
199.11168	0.8
203.14330	2.1
207.13811	67.1
211.14909	1.1
213.16342	2.3
215.14282	4.1
217.12367	3.0
219.14034	0.5
228.23251	0.8
229.15923	0.7
229.23564	7.3
231.17474	1.8
233.15387	12.2
235.13361	1.7
237.16391	0.7
245.18906	0.6
247.16963	0.6
249.18456	1.5
255.17435	2.8
273.18509	7.9
273.26205	0.9
291.19562	47.6
291.27173	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1957
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03939	6.6
55.01876	15.6
55.05513	22.6
55.72227	1.8
56.05022	2.1
56.96547	2.0
57.03433	7.2
57.07080	3.1
59.05000	1.9
63.30049	1.8
65.03938	6.3
67.05510	44.6
69.03417	5.6
69.07069	14.3
70.22129	1.6
71.04979	5.1
71.48985	2.6
74.06108	2.4
79.05497	58.3
81.03435	9.2
81.07060	100.0
83.04972	6.0
83.08620	5.9
85.06535	3.7
88.07630	4.8
89.07940	2.0
89.85857	1.8
91.05491	34.6
93.07047	28.6
95.04379	3.0
95.04977	42.9
95.08626	16.8
97.02898	1.9
97.06532	4.3
97.10176	3.8
98.98476	3.7
105.07041	27.0
107.04976	17.0
107.08611	22.9
109.06525	89.7
109.10165	9.3
111.08106	10.8
115.05482	4.0
117.07030	15.2
119.04942	3.0
119.08578	29.8
121.06528	11.7
121.10132	7.8
123.04430	3.5
123.08087	6.0
125.09637	5.6
128.06256	3.4
129.07066	8.2
130.07828	2.8
131.08586	16.7
133.06485	8.1
133.10144	11.9
135.08069	39.7
135.11676	4.6
137.05991	4.3
137.09633	2.4
137.10698	2.2
139.03937	2.1
142.07846	2.6
143.08571	9.2
145.02840	3.3
145.10155	18.3
147.08040	12.3
147.11659	3.5
149.09598	9.2
151.07532	9.5
156.09329	1.9
157.10110	8.4
159.08122	4.2
159.11725	6.2
161.09622	11.2
161.83954	1.7
163.11215	4.4
165.12781	2.3
169.10060	3.1
171.11687	6.3
173.13309	2.9
175.11200	4.2
177.05479	5.0
181.10149	2.0
181.12215	2.2
187.11255	2.0
189.11192	2.5
189.12784	4.6
191.10660	2.3
207.13806	5.8
213.12755	2.7
215.83414	1.9
217.15858	6.7
227.17973	2.8
233.15338	2.7
233.19078	2.7
243.25195	10.2
245.19142	2.4
249.14964	3.1
249.23293	4.3
255.17485	2.8
273.18521	31.2
289.14914	2.3
291.19583	67.0
291.23001	3.8
291.27130	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	291.1955
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03946	1.1
53.84823	0.2
55.01874	1.6
55.05516	6.9
57.03434	0.3
57.07083	0.2
59.04980	0.4
59.23171	0.2
65.03929	0.3
65.65252	0.2
67.05183	0.3
67.05511	4.4
69.03430	1.0
69.07070	3.4
69.38259	0.6
69.38681	1.0
71.04974	0.7
79.05497	7.0
81.03408	0.7
81.07063	5.8
83.04990	1.0
83.08620	3.4
85.06537	0.3
91.05483	5.9
93.07050	5.6
94.04206	0.3
95.04966	2.4
95.08623	2.9
97.06521	0.6
97.10168	3.4
103.05453	0.4
105.07035	5.8
107.04967	2.6
107.08599	3.3
108.05754	0.4
109.06512	0.8
109.10145	0.9
111.08082	0.3
115.05467	0.4
116.06213	0.4
117.07021	2.5
119.04948	1.6
119.08586	4.2
120.05678	0.4
121.06514	2.2
121.10159	1.4
123.08122	1.2
123.11708	0.3
125.09637	1.8
128.06180	0.3
129.07001	1.4
130.07773	0.7
131.08578	2.9
133.06497	3.7
133.10158	1.3
134.07275	0.9
135.08025	1.0
135.11688	0.4
137.09622	0.3
142.07761	0.5
143.08568	1.4
145.06509	0.4
145.10118	2.3
147.08051	3.2
147.11697	0.6
148.08881	0.2
149.09642	1.2
151.07587	0.6
153.83078	0.2
155.08513	0.3
157.10127	0.8
159.08038	0.3
159.11661	0.6
161.09671	1.2
161.13115	0.2
162.10393	1.3
163.11151	0.7
165.09058	0.3
171.11655	0.5
173.09740	0.3
173.13306	0.3
175.11223	0.8
189.12694	0.3
203.14168	0.2
205.10002	0.3
205.12325	0.2
207.13901	0.4
211.83606	0.2
223.13304	1.0
249.14832	2.0
255.17371	0.3
261.14871	0.6
273.18488	2.4
291.19550	100.0
292.20010	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1261
Annotation	Rotoxamina
Peak:m/z	Relative Intensity
53.03936	3.0
55.01862	1.1
55.05509	12.7
56.15673	0.8
57.07071	4.1
59.07392	1.0
65.03943	1.4
67.05507	30.1
69.03434	11.7
69.07072	14.2
69.83857	4.7
69.84142	1.0
71.04975	2.4
71.08618	1.2
79.05484	6.7
79.41586	0.8
81.02987	1.2
81.03422	13.3
81.07058	28.1
83.04987	16.5
83.08622	4.1
85.06540	2.2
87.76981	0.8
91.05483	7.7
93.07050	8.3
95.04971	3.1
95.08609	26.5
97.02884	1.2
97.06535	3.3
97.10161	0.9
104.52155	0.9
105.07036	8.2
105.18446	0.8
107.04956	1.1
107.08601	12.6
109.02869	5.3
109.06527	11.8
109.10160	100.0
111.08084	5.3
117.03387	3.1
117.07014	1.8
119.04945	5.3
119.08585	19.3
121.10136	13.7
123.08070	20.2
123.11714	7.3
125.09632	2.0
127.03874	1.2
131.08551	2.2
133.06505	1.6
133.10139	10.3
135.04419	2.0
135.11696	38.0
137.05991	3.4
137.09624	20.6
138.10413	3.3
139.11174	3.5
143.08484	1.1
145.02858	7.3
145.10136	3.2
147.03256	1.2
147.04427	19.0
147.06831	1.9
147.07979	1.2
147.11667	1.5
149.02313	1.2
149.05962	1.1
149.13287	4.2
150.09190	0.9
151.11188	9.6
151.14807	9.4
157.10220	1.0
159.08067	1.1
159.11693	1.4
161.09575	1.5
163.03929	6.2
165.16394	3.9
171.11671	1.1
175.14790	8.6
177.05513	7.2
177.09067	1.4
178.09436	1.0
185.13271	0.9
191.07027	3.1
193.15886	88.3
194.16304	1.1
203.06946	1.5
203.08626	2.0
218.15384	1.0
231.06441	2.7
231.08345	1.5
236.14957	1.4
248.08188	1.5
248.16504	1.2
273.07547	1.6
273.18445	1.4
274.18018	3.1
282.66309	0.9
291.08331	8.3
291.14941	2.7
291.19806	3.6
292.19037	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09651	0.3
55.01862	0.7
63.02369	0.6
63.71228	0.3
69.03440	2.9
69.95309	1.6
83.46624	0.3
89.03922	7.6
91.05466	0.4
95.04951	0.4
97.02900	5.1
98.21460	0.6
103.05476	0.6
106.04169	0.4
114.50906	0.4
115.03951	1.3
115.05463	1.2
117.03389	23.6
119.04994	0.4
122.03762	0.5
130.06538	0.5
131.04919	0.5
134.03625	1.7
135.04402	0.8
137.05977	3.5
139.03911	0.4
139.05415	0.4
141.06993	1.0
143.04874	0.9
144.08038	0.4
145.02853	62.7
146.03378	0.7
149.05975	7.1
155.04993	0.6
157.06508	0.5
159.09225	0.7
161.05966	1.0
163.03932	0.4
169.06540	0.7
171.04446	1.5
175.07614	1.1
177.05479	100.0
178.05858	0.8
185.05925	0.5
186.05481	0.5
187.07513	0.5
188.04660	0.5
189.05414	0.9
191.07010	0.5
199.07463	0.5
203.06985	0.7
215.06984	0.5
217.08684	0.8
231.06537	16.3
273.07602	0.9
291.08551	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	290.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.6
57.07078	29.7
58.06349	0.6
58.06604	6.6
59.75542	0.4
62.16529	0.4
69.03448	0.4
70.76700	0.4
71.35345	0.5
71.35671	0.5
73.04040	0.8
77.03955	0.5
79.05495	2.3
84.04510	4.6
85.02914	0.9
86.06071	3.9
87.91201	0.4
95.05000	0.5
103.03951	0.7
106.06558	100.0
108.66684	0.4
108.72400	0.4
115.08707	1.3
126.05534	1.6
129.06625	1.2
142.12273	6.9
192.07706	1.7
228.23251	0.6
230.25233	0.4
234.12398	9.6
290.08685	0.7
290.17960	1.2
290.26868	1.0
291.19339	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0864
Annotation	(2R-cis)-2-(2,5-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
Peak:m/z	Relative Intensity
55.01870	2.0
59.07412	0.5
61.93053	0.5
65.03922	1.2
67.05500	1.8
68.99787	1.5
69.03422	1.3
69.07081	0.7
69.64530	3.0
77.36799	0.6
81.07056	0.7
83.04976	1.1
84.04487	1.6
85.02901	2.4
85.04832	1.0
87.84772	0.5
89.03874	0.5
91.05479	2.7
93.03399	1.2
95.04974	2.9
95.08595	0.7
96.08883	0.5
98.04619	0.6
98.20807	0.6
98.98489	1.0
105.07032	1.5
107.04951	1.0
107.08630	0.6
111.04453	4.1
115.05451	2.3
117.07001	0.8
119.04948	7.9
123.04436	66.5
124.04738	0.7
127.03943	1.6
131.04930	0.7
133.06491	1.7
137.02330	1.0
137.05988	1.9
139.03911	100.0
140.04231	1.0
143.04973	3.0
143.08614	0.6
145.02861	1.9
147.04419	25.3
149.05945	1.0
151.03932	2.8
151.07545	2.5
161.05984	8.4
163.03920	2.4
165.05482	16.5
169.04980	1.8
169.06398	0.7
175.07568	1.3
177.05487	4.1
177.09181	0.5
179.06995	3.2
181.05034	0.7
185.06133	0.5
187.07526	0.7
189.05551	2.5
202.07764	0.8
203.06940	0.6
203.08647	3.0
207.06517	6.0
219.08115	1.3
220.08823	1.2
231.08194	3.3
232.08908	0.6
233.06000	0.8
248.08397	4.5
249.07619	0.9
259.07587	1.8
260.08124	0.6
263.10605	2.5
272.98450	1.0
273.07727	1.6
273.11420	0.8
276.07904	2.2
291.10303	10.8
291.12689	0.8
291.16956	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00227	0.2
56.05024	0.3
57.03424	0.3
57.07064	0.9
58.06602	0.3
59.05303	0.2
59.31374	0.3
61.02925	0.6
68.99780	0.6
69.03406	0.3
70.06596	2.6
71.25080	0.4
73.02901	0.3
79.05479	0.3
81.03386	0.3
84.04510	11.5
85.02901	1.8
86.16778	0.3
87.00831	0.8
87.77763	0.2
88.07637	4.0
91.05470	0.8
91.95290	0.2
93.07026	0.5
96.04444	0.2
96.08143	1.5
97.02899	0.5
97.06554	0.2
102.09194	1.9
103.03957	2.2
105.07050	0.7
107.08599	4.8
107.86995	0.2
109.02885	0.4
115.05460	0.5
117.06250	0.3
117.07033	5.1
119.07294	0.5
119.08568	1.0
120.08133	0.4
126.05529	2.6
127.03941	0.3
129.01808	0.4
133.06490	2.4
134.09660	11.5
134.10675	0.6
144.08076	2.6
145.06482	1.0
146.06033	1.5
147.06796	30.2
148.07178	0.3
152.07092	2.2
152.41003	0.3
156.06540	0.3
162.09149	100.0
163.09473	0.6
168.06514	0.7
171.02829	0.2
184.09741	0.7
189.04012	0.6
204.08701	0.4
228.23233	7.4
290.08810	1.9
290.17657	2.1
290.26910	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	290.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34767	0.5
55.05522	0.7
57.03426	0.6
57.07047	0.9
67.05511	3.7
68.05851	0.6
69.03429	0.9
69.07071	8.8
70.07394	1.0
71.04979	1.0
79.05513	0.7
80.05032	3.4
80.05838	0.8
81.03424	1.3
81.07057	5.3
82.07391	2.3
84.04045	0.9
84.04511	9.0
85.02903	1.2
85.06535	2.5
87.00831	0.8
91.05493	2.5
93.07066	3.2
94.06575	7.0
94.07182	0.9
94.07368	0.8
95.04966	0.7
95.07359	13.4
95.08595	3.9
96.08949	2.2
97.06505	1.1
98.06036	0.7
103.03941	2.0
105.07029	1.8
106.06609	1.4
106.07291	0.9
107.08611	3.3
108.04469	3.4
108.08939	1.2
109.10169	4.2
110.06062	0.6
110.10486	2.2
119.04976	1.0
119.08599	1.7
120.08907	1.2
121.10151	2.2
122.06036	31.1
122.10483	1.8
123.05916	1.1
123.06818	22.0
123.11695	1.0
124.12039	1.6
126.05511	2.5
131.08609	0.6
133.06500	1.3
133.10077	1.3
134.10504	1.3
135.11696	0.9
136.12048	1.2
137.05980	6.0
137.09621	2.2
139.34442	0.6
145.10124	1.0
147.11650	0.7
148.12050	1.0
149.13275	1.1
150.05516	31.7
150.13664	0.8
151.06297	100.0
152.06982	1.6
159.11644	0.9
160.12016	1.3
161.13275	1.2
163.14825	1.0
164.15152	0.9
176.15160	0.7
232.21426	0.9
262.18060	2.0
272.24585	1.6
273.14850	7.1
290.17532	33.7
290.25497	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	290.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
61.52073	0.2
68.41747	0.2
79.05509	0.5
84.04504	0.8
91.05491	1.0
93.07045	0.4
96.08131	1.1
97.06522	0.3
98.20805	0.6
103.54453	0.2
105.07031	0.6
106.27293	0.2
107.08598	5.1
115.05411	0.5
117.07022	5.3
119.07370	0.3
119.08540	1.3
120.08098	0.4
124.07693	0.4
126.05576	0.3
126.93275	0.2
130.06549	0.2
133.06470	2.2
134.09656	11.4
141.76021	0.2
144.08084	2.2
145.06512	1.0
146.06007	1.7
147.06796	30.7
152.07080	2.5
162.09143	100.0
163.09467	1.1
184.09692	0.5
228.23238	0.4
278.65469	0.3
290.17520	1.7
290.26758	0.7
296.75681	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2526
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
53.03927	1.3
55.01862	2.1
55.05273	1.2
55.05513	18.8
56.05013	3.0
57.03432	1.1
57.05357	1.5
57.07066	5.8
67.05505	28.4
67.62556	0.9
67.66607	1.0
69.03429	1.4
69.07070	35.5
71.04996	12.7
71.08626	2.5
71.49007	1.6
71.99570	0.9
78.32400	1.0
79.05493	13.0
81.07053	52.5
83.04971	1.1
83.08617	18.4
84.04483	3.9
84.08144	2.7
85.06545	49.5
91.05480	12.7
93.07043	32.3
95.04977	1.8
95.08607	50.7
97.06539	13.9
97.10156	4.1
99.08076	3.3
105.07033	32.5
107.08594	42.6
109.06503	1.3
109.10158	66.5
111.08092	9.8
111.11731	1.6
113.27607	1.1
117.07036	5.4
119.08584	44.8
121.10145	48.9
123.08073	1.3
123.11708	30.8
125.09622	4.6
127.08734	4.8
128.09018	4.1
131.08578	8.5
133.06438	1.1
133.10133	39.6
135.11705	22.8
137.09607	1.4
137.13252	10.6
139.11221	1.6
143.08464	1.8
144.09320	1.3
145.10126	18.8
147.11696	25.5
149.13271	18.3
151.11217	1.7
151.14822	2.5
157.10153	2.7
158.10936	1.3
159.11697	25.1
161.13260	27.5
163.11293	1.4
163.14825	12.5
165.12750	2.7
167.14305	4.0
169.13318	1.4
170.13747	1.4
173.13268	18.8
175.14822	20.3
177.16371	6.0
179.14345	3.3
181.15915	1.9
187.14819	9.8
189.16370	14.3
191.14247	1.3
191.17950	3.2
193.15955	1.2
201.16374	12.5
203.17938	15.6
205.15868	2.3
205.19504	1.6
215.17999	13.1
217.19482	1.8
219.17458	7.5
220.00987	1.0
229.19516	6.1
231.21121	12.9
233.18997	4.5
243.21178	2.1
245.22606	5.3
247.12672	3.5
271.24200	31.6
289.18109	5.4
289.25253	100.0
290.25476	1.4
299.39258	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2527
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
53.03935	4.5
55.05275	1.7
55.05515	24.2
56.05028	3.7
57.03424	2.3
57.07071	7.1
65.03943	2.3
67.05507	40.5
68.86031	1.4
69.06741	2.3
69.07072	36.0
69.15971	16.3
71.04971	5.7
71.08611	1.8
79.05073	2.5
79.05495	35.5
81.07059	100.0
83.08622	14.9
84.04499	5.5
84.08138	2.3
84.81743	1.6
85.02894	1.9
85.06174	1.4
85.06551	15.3
91.05486	22.9
92.88714	1.5
93.07047	86.8
95.04949	5.0
95.08611	76.7
97.06544	7.9
97.10192	7.6
99.08067	3.0
105.04531	1.8
105.06411	2.1
105.07043	31.4
107.08601	70.5
109.06470	2.1
109.10161	54.4
110.75649	1.4
111.08098	4.0
111.11714	2.9
117.06998	4.7
119.08584	31.3
121.10146	66.1
123.11722	19.0
125.09640	3.0
126.05521	1.8
127.08659	5.9
128.08980	3.1
131.08554	6.9
133.06520	1.7
133.10132	21.7
135.10704	2.8
135.11690	45.9
137.09602	2.4
137.13245	8.2
145.10132	13.4
147.11697	17.0
149.13266	53.6
151.14813	3.2
153.12688	2.4
156.89908	1.7
159.11723	16.0
161.13269	15.9
163.14845	14.0
165.12723	1.8
171.11786	2.2
173.13289	10.3
175.14836	12.8
177.16354	4.1
179.14290	2.6
187.14783	4.3
189.16409	10.5
191.17999	2.9
201.16331	5.7
203.17935	3.2
215.17955	6.9
219.17448	2.0
229.19440	2.7
231.21056	4.1
245.22668	2.0
247.12817	3.0
264.12271	1.6
271.24213	14.8
289.17572	4.9
289.21643	8.3
289.25232	82.9
290.85999	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2525
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
53.03925	1.7
55.01874	2.4
55.05510	17.3
56.05036	14.6
57.03413	1.3
57.05360	2.5
57.07080	6.2
59.79007	0.9
65.03918	1.5
67.05508	30.6
69.03430	1.5
69.07071	33.9
71.05000	14.8
71.08603	1.2
71.24289	1.0
71.48787	2.0
74.59785	0.9
76.45179	0.9
79.05493	16.8
81.07060	51.7
83.04971	2.0
83.08621	20.0
84.04510	8.3
84.08136	10.2
85.02901	2.0
85.06550	51.7
85.08462	2.4
91.05489	13.8
93.06487	1.7
93.07050	28.8
95.05006	2.3
95.08614	54.4
97.06538	14.8
97.10175	4.1
99.08076	2.4
103.03918	1.8
104.13543	1.0
105.07035	34.9
106.06573	1.3
107.04967	1.2
107.08602	45.1
109.10163	66.0
111.08088	11.6
111.11703	1.7
117.07023	3.9
119.08585	50.5
121.10149	46.4
123.08082	1.2
123.11714	35.1
125.09607	5.7
126.05502	2.5
127.08681	23.5
128.09053	9.6
129.07016	1.8
131.08571	10.3
132.09370	1.1
133.10138	42.7
135.04446	1.1
135.11702	24.2
137.05942	1.4
137.09576	1.2
137.13264	10.2
139.11171	1.7
143.08614	2.0
144.09250	1.1
145.10129	16.2
147.11696	29.6
149.09622	1.2
149.13269	16.7
151.11165	2.4
151.14806	2.9
153.12773	2.5
157.10101	2.9
157.32870	0.9
158.10901	2.0
159.01082	1.0
159.08090	1.3
159.11690	24.8
160.12456	1.7
161.13274	25.7
163.11247	1.1
163.14845	12.1
165.12747	3.5
167.14397	2.2
169.13385	6.5
170.13734	7.6
171.11763	1.1
173.13286	16.9
175.14838	21.0
177.12781	1.6
177.16360	5.2
179.14288	3.6
181.15883	2.0
187.14828	11.1
189.16391	15.9
191.17992	2.4
193.15919	1.4
201.16380	14.1
203.17966	15.6
205.15823	3.3
205.19510	2.0
215.17941	10.2
217.19505	2.8
219.17458	8.3
219.20929	1.1
229.19511	7.3
231.21091	11.8
233.18958	4.7
243.21112	2.2
245.22685	5.0
246.12430	2.2
247.12729	12.2
247.20610	1.8
271.21295	1.6
271.24225	31.3
289.17661	19.3
289.25259	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2162
Annotation	Normethandrolone
Peak:m/z	Relative Intensity
53.03946	3.4
55.05521	11.0
57.07080	4.0
67.05509	17.0
69.03421	4.1
69.06721	3.8
69.07070	32.2
69.79211	10.4
71.05000	3.4
79.05495	12.0
81.03410	16.1
81.07065	28.2
83.08614	6.7
85.02903	8.0
85.06548	3.7
91.05489	20.1
93.07051	31.9
95.05005	14.3
95.08610	34.4
98.20852	3.2
105.07042	38.4
105.79152	2.4
107.05009	5.0
107.08597	49.8
109.06485	7.4
109.10159	53.9
117.07033	9.0
119.08582	32.1
121.06498	10.6
121.10156	33.0
123.08047	2.4
123.11724	20.5
125.09621	2.4
129.06976	3.4
131.08566	20.4
133.06497	4.0
133.10164	22.5
135.08026	5.0
135.11691	10.7
141.06940	2.2
143.08574	14.2
145.06474	6.3
145.10114	25.8
147.08070	7.6
147.11699	16.1
149.09602	3.1
149.13235	7.4
155.08534	7.8
156.09367	3.5
157.10139	14.6
158.10883	2.7
159.08078	23.8
159.11690	25.7
161.09624	30.8
161.13210	13.0
163.11169	5.9
163.14838	21.9
169.10155	6.7
171.11705	9.5
171.98837	2.3
173.09627	18.3
173.13266	17.4
175.11086	5.0
175.14836	6.9
177.12787	2.5
177.16388	7.0
182.11081	2.1
183.11694	6.3
185.13359	3.6
187.11191	5.4
187.14862	8.0
189.12708	3.2
189.16438	3.0
197.13280	9.4
199.14886	3.9
201.12785	13.0
201.16315	4.7
202.13448	2.7
203.14331	2.4
203.17986	8.8
211.14857	5.0
213.16469	4.4
215.14297	37.7
215.17877	2.2
219.13742	3.0
227.17963	8.0
229.15894	68.4
229.19356	13.7
229.41301	2.2
243.17491	4.0
243.21095	14.1
245.19011	6.0
253.19536	15.7
261.22217	3.3
271.17560	5.6
271.20563	100.0
289.21725	58.8
289.24463	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	289.2159
Annotation	3-Methoxyestra-2,5(10)-dien-17beta-ol
Peak:m/z	Relative Intensity
53.03947	5.7
55.05508	28.2
56.04750	2.6
57.07070	6.6
59.05009	58.4
66.57851	2.7
67.05495	11.8
69.07060	12.9
69.40994	15.9
69.41409	7.3
74.83859	2.9
79.05492	9.2
81.07053	18.1
83.04972	6.4
85.06548	100.0
91.05473	19.1
92.09398	3.0
93.07061	28.2
95.04955	4.6
95.08611	36.3
99.08096	15.4
105.07053	17.4
107.08581	14.7
109.10166	10.3
111.08103	4.7
117.07019	5.7
119.08585	21.2
121.10140	5.3
123.11715	4.4
125.09626	17.9
129.07004	5.4
131.08612	23.1
133.10155	22.0
135.11703	4.1
139.11189	5.4
141.07010	5.0
142.07767	7.7
143.08563	14.1
144.09398	3.9
145.10132	19.2
147.11688	10.1
149.13260	4.1
153.06960	4.4
155.08563	7.6
156.09311	4.0
157.10135	30.3
158.10941	10.0
159.11703	22.5
161.09567	4.3
168.09325	5.8
169.10139	10.8
171.11700	11.4
173.13242	36.1
177.12730	6.7
182.10925	4.6
183.11700	25.7
187.11183	3.4
187.14851	3.6
189.12764	6.7
191.14221	4.6
195.11639	5.4
197.13266	12.7
198.13937	4.0
199.14853	9.3
201.12749	7.5
209.13177	3.0
213.16475	3.5
214.37378	3.2
215.14432	5.6
215.17834	3.6
217.15948	4.7
224.15631	4.0
239.17964	19.4
257.19012	8.6
259.17072	5.4
271.20615	8.5
271.24152	4.3
289.18359	6.7
289.21646	94.0
289.25046	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	289.1799
Annotation	Dicranenone A
Peak:m/z	Relative Intensity
51.02398	2.6
52.19887	2.2
53.03947	3.4
55.01859	7.4
55.05512	23.4
57.03439	22.5
57.07063	8.1
58.53771	2.5
65.03922	3.3
67.05506	38.0
67.83497	2.3
69.03418	5.4
69.07073	15.3
69.77477	14.4
70.06577	5.0
71.04979	5.2
78.03413	2.1
79.05497	33.8
81.03407	4.2
81.07059	29.3
83.04560	3.1
83.04984	35.2
83.08600	8.2
85.02854	2.4
85.06510	3.1
88.07619	6.8
91.05478	41.0
93.07039	34.0
95.04974	25.2
95.08597	19.2
96.04496	26.5
96.48244	2.3
97.06567	4.2
97.29167	2.3
99.04433	10.7
105.07023	42.2
106.08681	3.1
107.04949	27.0
107.08578	21.8
109.02856	2.5
109.06527	19.9
109.10165	14.9
109.26163	2.6
111.04418	14.5
111.08096	3.0
115.05468	5.1
117.07014	16.6
119.08582	31.6
121.06507	10.8
121.10134	10.4
123.08060	7.4
123.11665	2.9
125.05981	10.4
127.03920	3.5
128.06189	7.0
128.70618	2.2
129.06990	6.5
130.07695	2.5
131.08586	21.3
133.06485	10.4
133.10127	19.2
135.04370	3.0
135.08063	17.9
135.11688	9.5
136.07581	100.0
137.05940	4.7
137.09659	2.7
137.40192	2.2
141.06952	3.5
142.07684	2.6
143.08574	9.2
145.06549	5.2
145.10100	19.9
147.08064	12.6
147.11678	10.7
148.18086	2.7
149.05936	4.3
149.09590	7.0
149.13229	4.2
151.07576	5.1
155.08527	7.8
157.10165	11.2
159.08073	14.6
159.11670	14.5
161.09654	18.4
161.13234	8.0
163.07628	2.9
163.11203	11.1
165.12775	7.4
169.10066	4.9
171.11713	5.7
172.89717	2.0
173.09560	7.3
173.13231	8.3
175.11169	6.7
175.14816	2.9
177.12756	14.7
177.29828	2.4
179.08463	2.5
183.11626	2.9
187.11107	5.2
187.14790	8.2
189.12730	2.4
191.18550	2.8
197.13254	6.4
201.16383	3.1
205.15857	6.3
211.14845	2.7
213.16338	3.1
215.14291	6.6
225.16309	2.7
231.17561	3.9
233.15411	16.9
243.14183	2.7
243.17418	6.5
243.21031	2.8
245.18973	4.1
261.18481	18.6
261.22144	6.7
271.16812	16.1
271.20493	7.8
289.15543	3.4
289.17975	68.5
289.21573	35.4
289.29330	29.6
290.26877	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	289.18
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
53.49525	1.2
55.01853	3.9
55.05515	17.6
55.46164	1.1
56.05037	11.6
57.03424	1.6
57.07077	11.8
58.06601	6.9
59.06097	1.5
65.08725	1.0
67.05514	9.7
68.05013	1.1
69.03417	4.0
69.07082	9.2
69.22250	1.1
69.99837	1.3
70.06600	1.3
71.00967	1.8
71.01309	1.4
71.04980	1.5
71.08631	4.7
71.27428	1.1
74.06093	10.1
79.05496	16.1
80.17315	1.1
81.07069	12.9
83.04974	2.3
83.08638	9.6
84.04493	2.8
85.06531	2.7
85.10187	1.4
86.06026	1.4
86.35857	1.2
88.07104	2.3
88.07636	45.7
89.07147	1.8
91.05491	14.7
93.07054	9.3
95.04941	1.3
95.08620	8.9
97.06553	1.5
97.10184	10.2
99.08073	1.4
105.07040	20.6
106.06568	1.7
106.08685	1.5
107.04944	2.5
107.08593	13.9
109.06511	4.4
109.10176	6.6
111.08082	1.6
115.05457	3.7
116.06199	1.1
117.07030	19.7
118.08665	7.3
119.08582	20.9
121.06498	2.8
121.09808	4.4
122.08138	4.5
123.08025	1.4
123.11735	2.1
125.09640	6.6
128.06216	3.6
129.06993	4.4
130.07758	1.4
131.08556	8.7
133.06516	3.2
133.10141	23.5
135.04362	2.4
135.08018	5.4
135.11671	3.2
141.06995	4.7
142.07764	2.5
143.08559	9.7
145.06493	22.7
145.10136	13.5
147.08049	8.0
147.11708	5.5
149.05925	1.8
149.13240	1.5
153.07033	1.3
153.08998	1.9
154.07777	5.1
155.08609	2.9
156.09305	2.4
157.10141	5.1
159.08061	8.6
159.11722	6.2
160.08751	1.9
161.09624	4.2
161.13278	1.7
163.07603	1.8
163.14836	1.9
168.09372	1.4
169.10158	12.7
171.08083	1.8
171.11700	6.1
173.09608	4.4
173.13264	1.7
175.11258	1.8
181.10120	2.5
183.11676	4.7
187.14830	2.2
189.11179	4.2
189.16356	1.5
195.11761	2.2
197.13228	2.5
205.10304	2.2
207.11699	2.8
207.13715	1.3
209.13252	2.2
213.23216	1.4
215.17830	1.6
217.10100	3.4
218.10951	3.1
219.11679	4.2
221.13290	2.5
228.23096	1.3
229.10126	2.8
229.15886	1.9
230.10860	3.4
231.11714	6.0
231.13695	1.9
232.12489	4.9
233.13271	8.1
234.14148	2.0
242.24802	47.3
243.17429	3.2
244.12492	6.6
245.13275	10.2
246.14102	5.4
247.14867	7.9
253.15912	1.7
259.14835	18.3
260.15607	3.6
261.16309	5.1
261.25867	1.3
271.16953	27.9
271.24048	1.9
272.25790	2.3
274.17188	14.6
289.06299	1.5
289.19418	53.2
289.25146	8.7
289.28513	17.9
290.26910	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1707
Annotation	(-)-N-(2-Oxopyrrolidinomethyl)cytisine
Peak:m/z	Relative Intensity
51.75109	0.2
53.03959	0.3
55.05262	0.1
55.05511	4.5
56.05037	45.2
57.07085	0.8
58.06600	0.8
67.05506	2.1
69.05827	0.2
70.64155	0.4
70.64510	0.3
73.06544	0.2
79.05476	0.4
82.06577	1.5
84.04508	2.1
84.08144	33.6
85.08471	0.2
86.09705	4.7
87.01970	0.2
94.42041	0.2
95.08587	0.3
97.07629	0.5
97.15075	0.2
98.06049	0.7
106.06557	5.0
110.20219	0.2
112.11244	0.7
127.08679	100.0
128.09047	0.6
141.06581	1.0
167.43600	0.2
169.13365	43.2
170.13681	0.4
186.56680	0.2
245.55202	0.2
246.12389	43.4
247.12724	0.5
262.60522	0.2
272.27411	0.2
272.44836	0.2
275.66275	0.2
288.05936	2.6
288.17062	52.1
289.17349	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0708
Annotation	3,4-Dihydroxyphenyl caffeate
Peak:m/z	Relative Intensity
55.01864	1.3
56.96576	5.1
57.07064	0.9
57.94835	0.8
65.03947	6.4
67.05489	2.4
68.99792	2.1
69.03449	1.0
69.42877	6.3
70.06570	0.9
70.70238	0.9
72.93799	1.6
79.05483	1.1
81.03436	1.8
84.04520	1.1
85.02897	1.8
85.06539	0.9
89.03932	3.5
93.03403	9.5
95.04974	2.7
97.02917	0.8
98.97594	2.2
103.05496	1.2
107.04962	6.0
109.02895	1.5
110.97581	1.5
111.04449	22.3
117.03391	2.7
121.02856	1.0
122.01331	0.9
123.04438	47.6
127.03931	29.1
128.98610	2.7
131.04947	3.0
135.04422	100.0
137.02357	3.0
137.05986	2.0
138.54884	0.9
139.03908	35.5
146.06007	2.9
146.99635	2.1
149.02353	6.1
149.06055	1.3
151.03922	15.4
153.05309	1.0
157.06477	1.2
159.04480	2.6
161.05991	1.5
163.03906	16.6
173.06058	1.4
177.05472	1.9
179.03427	2.1
187.03983	2.3
197.06015	2.4
201.05408	1.1
205.04973	1.5
213.05515	2.7
215.07079	1.6
231.03284	1.0
231.06567	4.6
234.96970	4.5
237.02892	1.6
243.06465	1.5
252.97943	7.4
259.06088	6.3
261.07596	8.4
271.06006	7.7
289.06949	9.4
289.12100	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1706
Annotation	(-)-N-(2-Oxopyrrolidinomethyl)cytisine
Peak:m/z	Relative Intensity
55.05515	5.8
56.05038	47.1
57.02591	0.3
57.04559	0.5
57.07071	1.0
58.06606	0.7
62.51421	0.2
67.05510	2.3
71.49590	0.5
73.06579	0.3
81.07037	0.6
82.06602	1.5
84.04519	2.5
84.08147	32.8
86.09709	4.3
87.01940	0.4
93.07056	0.3
95.08610	0.4
97.07616	0.5
98.06059	0.7
98.92907	0.3
99.25640	0.3
104.66289	0.3
105.07023	0.4
106.06560	5.2
106.07273	0.5
107.08559	0.4
108.08136	0.5
112.11254	0.6
119.08614	0.4
127.08685	100.0
128.09003	0.5
141.06638	0.7
160.27225	0.3
169.13371	42.9
194.68843	0.3
230.19621	0.3
246.12398	42.9
257.47476	0.3
270.23178	0.3
288.17072	55.6
288.23911	1.1
289.17374	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1594
Annotation	Zephyramine
Peak:m/z	Relative Intensity
50.20277	0.2
55.01874	0.3
56.96529	0.3
62.06302	0.3
62.18457	0.3
64.41377	0.3
67.05502	0.5
69.03440	0.3
70.06593	0.6
70.80805	0.7
72.08160	0.5
79.05494	0.7
81.07057	0.5
86.09692	1.3
91.05483	1.5
96.08129	1.3
105.07056	1.4
108.04360	0.3
108.08069	0.3
115.05463	1.1
117.07020	10.8
119.04897	0.4
119.08583	6.2
124.07590	0.8
128.06212	0.4
129.07004	0.9
130.07771	0.7
131.08557	1.3
133.06488	0.7
136.07547	0.6
137.05945	0.6
141.07024	0.5
143.08566	3.5
145.06499	2.0
145.08900	1.0
145.10104	6.2
147.08035	1.5
155.08551	3.8
157.08813	0.5
157.10046	0.5
158.07245	0.3
159.08104	0.8
159.64439	0.3
160.11238	1.3
168.08012	0.3
169.10172	1.3
170.09694	0.8
171.08020	0.7
173.05992	5.9
173.08261	0.6
173.09648	1.1
181.10106	0.9
182.10884	0.8
183.08057	0.4
183.11699	1.2
185.06001	0.4
188.10683	2.7
190.08611	0.4
192.09335	0.6
194.10918	0.4
196.07574	0.8
197.13249	2.0
198.08989	0.3
207.11671	1.0
211.07347	0.3
211.11235	0.3
214.06505	0.4
214.08618	0.8
214.15962	0.5
216.10204	74.5
217.10509	0.9
225.12778	2.3
228.10170	0.6
233.18060	0.3
239.23378	0.3
242.08253	1.7
242.15523	0.6
252.13809	0.6
252.97968	0.5
253.12250	2.8
270.07666	0.8
270.14896	35.4
271.09665	0.5
271.15366	0.5
288.09381	2.6
288.15939	100.0
289.16177	1.7
298.02112	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20277	0.2
55.01874	0.3
56.96529	0.3
62.06302	0.3
62.18457	0.3
64.41377	0.3
67.05502	0.5
69.03440	0.3
70.06593	0.6
70.80805	0.7
72.08160	0.5
79.05494	0.7
81.07057	0.5
86.09692	1.3
91.05483	1.5
96.08129	1.3
105.07056	1.4
108.04360	0.3
108.08069	0.3
115.05463	1.1
117.07020	10.8
119.04897	0.4
119.08583	6.2
124.07590	0.8
128.06212	0.4
129.07004	0.9
130.07771	0.7
131.08557	1.3
133.06488	0.7
136.07547	0.6
137.05945	0.6
141.07024	0.5
143.08566	3.5
145.06499	2.0
145.08900	1.0
145.10104	6.2
147.08035	1.5
155.08551	3.8
157.08813	0.5
157.10046	0.5
158.07245	0.3
159.08104	0.8
159.64439	0.3
160.11238	1.3
168.08012	0.3
169.10172	1.3
170.09694	0.8
171.08020	0.7
173.05992	5.9
173.08261	0.6
173.09648	1.1
181.10106	0.9
182.10884	0.8
183.08057	0.4
183.11699	1.2
185.06001	0.4
188.10683	2.7
190.08611	0.4
192.09335	0.6
194.10918	0.4
196.07574	0.8
197.13249	2.0
198.08989	0.3
207.11671	1.0
211.07347	0.3
211.11235	0.3
214.06505	0.4
214.08618	0.8
214.15962	0.5
216.10204	74.5
217.10509	0.9
225.12778	2.3
228.10170	0.6
233.18060	0.3
239.23378	0.3
242.08253	1.7
242.15523	0.6
252.13809	0.6
252.97968	0.5
253.12250	2.8
270.07666	0.8
270.14896	35.4
271.09665	0.5
271.15366	0.5
288.09381	2.6
288.15939	100.0
289.16177	1.7
298.02112	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1597
Annotation	Zephyramine
Peak:m/z	Relative Intensity
53.61954	0.4
55.05530	1.1
56.05040	8.3
59.33807	0.4
62.06337	0.4
67.05518	2.5
69.07089	0.9
70.84268	0.6
70.84604	0.9
79.05537	1.5
81.03443	0.5
81.07097	1.3
83.08652	0.4
84.08145	4.6
84.08561	0.4
86.09723	0.7
91.05470	2.1
93.07073	1.2
95.04991	0.5
95.08649	0.9
96.08170	1.4
105.07043	2.1
106.06613	0.7
107.08643	0.6
115.05496	0.9
117.07016	11.4
119.04967	0.6
119.08587	7.7
119.09362	0.5
121.10210	0.8
121.91512	0.4
122.06094	0.5
122.10532	0.6
124.07634	0.5
127.08683	17.8
129.07004	0.8
131.08612	1.2
133.06557	1.2
133.10196	0.7
136.07555	1.1
143.08549	3.5
145.06517	2.2
145.09015	0.8
145.10117	5.2
147.08092	1.5
151.06322	1.0
155.08568	3.7
157.10141	0.8
158.07237	0.5
159.11702	0.5
160.07594	1.0
160.11176	0.9
162.09116	5.1
163.09972	1.4
167.08618	0.6
169.10162	1.3
169.13385	8.1
171.08138	0.8
172.36745	0.4
173.06007	4.4
173.08293	0.6
173.09665	1.5
181.10086	0.5
182.10985	0.8
183.11740	1.1
188.10725	1.8
190.08530	0.5
191.09412	9.0
192.10252	3.3
195.11816	0.6
196.07721	0.5
197.11702	0.4
197.13214	2.5
216.10213	68.9
217.10522	1.1
225.12711	1.8
227.14355	1.3
242.15349	0.9
246.12396	8.7
253.12245	2.8
270.14905	33.7
288.05914	4.1
288.15936	100.0
289.16354	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2372
Annotation	Dehydroabietinol
Peak:m/z	Relative Intensity
50.15173	1.5
52.64041	1.1
53.03944	2.1
55.05505	5.6
57.07078	3.7
67.05231	1.3
67.05512	13.2
69.07066	15.3
69.46696	2.8
69.47107	6.7
71.05000	17.5
79.05506	8.8
81.07063	24.9
83.08620	4.5
85.06533	2.9
87.37711	1.5
91.05477	11.1
93.07050	20.2
95.04956	2.5
95.08611	38.4
97.06528	7.7
97.10169	1.6
98.21532	2.9
105.07042	32.7
107.08600	28.9
109.06531	2.1
109.10165	21.1
111.08092	2.4
117.07018	4.8
119.08593	40.0
121.10162	21.3
123.08079	3.0
123.11710	7.3
125.09657	2.2
129.07031	3.3
131.08574	14.1
133.10143	20.3
135.11693	8.5
137.09688	2.4
137.13286	2.0
142.07770	2.1
143.08560	9.5
145.09071	2.3
145.10143	31.2
147.04352	1.5
147.11708	16.6
149.13277	5.3
151.11153	2.7
156.09384	2.0
157.10143	13.5
159.11705	35.1
161.09590	3.0
161.13261	11.5
163.11209	2.0
163.14835	4.4
165.12775	2.1
171.11743	9.5
173.13293	21.8
175.11198	2.1
175.14847	6.0
177.12762	2.3
177.16461	2.7
179.14359	3.5
181.76657	1.6
185.13269	6.1
187.14833	8.3
189.12787	3.4
189.16406	2.3
191.14363	6.0
199.14897	8.3
201.16391	69.5
203.14233	2.5
203.17900	3.2
213.16415	13.2
213.72000	1.5
215.18022	3.9
217.15909	1.9
219.17427	2.0
227.17888	7.5
229.19547	9.0
231.17508	8.7
241.19492	2.9
243.21231	3.1
269.22659	47.3
285.12613	1.5
287.05573	11.7
287.23718	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.237
Annotation	11-cis-Retinol
Peak:m/z	Relative Intensity
51.02376	0.8
53.03944	1.5
54.13537	0.8
55.01864	0.9
55.05515	8.0
57.07064	3.3
63.95071	0.9
67.05177	1.2
67.05505	15.7
68.33089	0.7
69.07070	16.7
69.24631	7.2
71.04997	14.7
79.05061	1.1
79.05487	8.6
81.07059	23.9
83.08617	7.7
85.02911	1.0
85.06544	15.9
91.05479	10.8
93.06489	1.5
93.07052	23.0
95.04968	1.9
95.08611	23.7
97.06541	4.9
97.10186	1.5
99.08047	1.0
103.19789	0.7
105.07036	42.8
107.08599	28.7
109.06533	1.9
109.10162	41.5
109.88998	0.7
111.02662	3.1
111.08070	4.5
115.05476	0.9
117.07017	4.4
119.08589	37.0
121.06498	1.1
121.10153	31.7
123.08041	2.7
123.11709	14.0
125.09643	2.4
128.06230	1.5
129.07008	3.0
130.07802	1.6
131.08577	14.8
133.06499	0.9
133.07443	0.8
133.10139	28.3
135.08119	0.9
135.11700	17.2
137.09583	2.6
137.13257	2.6
142.07806	1.4
143.08574	9.9
144.09297	2.0
145.10127	26.0
146.10872	0.9
147.08063	1.3
147.11694	20.7
149.09579	1.0
149.13249	6.8
151.11137	1.5
153.12825	0.9
156.09348	2.2
157.10144	15.6
158.10934	4.6
159.11699	40.3
160.12497	1.1
161.09644	2.8
161.13271	19.0
163.11208	2.0
163.14819	1.8
165.12767	3.6
167.14380	1.2
169.10219	1.2
170.10851	1.8
171.11710	14.4
172.12479	1.4
173.13271	35.1
175.11232	2.4
175.14803	8.2
177.12715	4.5
179.14320	5.0
183.11830	0.8
184.12537	1.3
185.13281	10.1
187.14819	15.2
189.12715	1.1
189.16493	4.5
191.14273	1.6
193.15842	1.5
198.14003	1.0
199.14842	9.6
200.15550	2.1
200.17484	0.8
201.16423	9.3
203.14342	1.5
203.17976	9.0
213.16376	12.6
214.17012	1.0
215.17990	3.0
217.15945	4.8
217.19495	2.6
218.16444	0.8
227.17972	8.3
229.19516	34.1
230.19890	0.9
231.17462	7.6
241.19499	3.6
243.21101	5.8
245.19086	1.3
269.22650	29.3
287.05640	6.1
287.08334	0.9
287.23700	100.0
288.24136	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2369
Annotation	Helicallen-16-al
Peak:m/z	Relative Intensity
53.03938	2.2
55.05512	10.0
56.05022	5.3
57.07066	4.5
62.85837	1.1
65.03934	1.6
67.05507	15.6
69.03424	2.1
69.07072	15.6
71.04997	13.0
71.08611	1.7
77.03907	1.1
79.05485	10.1
81.07056	22.3
83.04997	1.5
83.08622	9.1
84.08126	2.9
85.01091	1.1
85.06541	15.2
91.05486	10.9
93.07042	17.6
94.76819	1.0
95.04972	1.5
95.08608	23.9
97.06536	4.3
97.10156	2.2
99.08047	1.1
103.05432	1.5
105.07031	37.2
107.08601	25.4
109.06531	1.2
109.10162	36.2
111.02664	6.6
111.08083	4.7
115.05460	1.4
117.07013	6.0
119.08588	41.0
121.06524	1.2
121.10146	31.5
123.08074	2.2
123.11693	13.7
125.09614	2.8
127.08708	9.7
129.07018	3.5
130.05434	1.1
130.07755	2.0
131.08574	15.9
133.10135	28.5
135.08058	1.3
135.11707	13.8
137.09645	1.7
137.13260	2.9
139.11172	1.4
141.06953	1.4
142.07785	2.3
143.08563	9.6
144.09322	3.3
145.09059	2.1
145.10126	25.2
147.11684	21.7
149.09660	1.5
149.13228	6.7
151.11191	1.3
153.01831	1.8
155.08591	2.1
156.09348	3.2
157.10135	16.4
158.10858	5.0
159.11703	42.0
160.12508	2.0
160.92781	1.2
161.09634	2.6
161.13264	17.5
163.11101	1.9
163.14836	3.1
165.12779	2.9
169.10150	1.7
169.13326	2.9
171.11708	15.9
172.12436	1.7
173.13269	37.7
173.14717	2.3
174.13963	1.3
175.11157	4.6
175.14891	7.7
177.12782	2.9
179.14325	4.0
183.11632	1.7
184.12437	1.3
185.13272	12.9
186.14001	1.3
187.14807	17.1
189.16380	4.3
191.14226	1.3
193.15796	1.4
199.14812	12.3
200.15576	1.5
201.16431	7.5
203.14244	1.4
203.17975	17.5
213.16389	17.1
215.18030	2.7
217.15855	7.3
217.19463	3.3
227.17998	8.5
229.19524	46.4
231.17458	10.6
241.19492	4.7
243.21053	4.0
245.19127	1.4
246.12361	3.7
250.51308	1.2
269.22644	29.3
287.05505	14.8
287.10236	4.3
287.23694	100.0
288.17014	4.0
288.24042	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2368
Annotation	11-cis-Retinol
Peak:m/z	Relative Intensity
53.03942	0.8
55.01852	0.7
55.05515	6.2
55.78101	0.6
57.03422	0.9
57.06835	0.8
57.07078	10.5
61.68754	0.7
65.03940	1.4
67.05502	16.4
67.26929	0.7
67.27322	0.7
69.07072	8.5
69.27243	5.1
71.04987	1.4
71.08627	8.3
79.05496	10.7
79.64786	0.6
80.23367	0.7
81.07053	14.3
83.04962	2.3
83.08639	4.1
85.06551	4.3
85.10194	5.1
91.05482	29.8
93.07047	12.4
94.55228	0.8
95.04933	1.0
95.08611	12.7
97.06525	5.8
97.10163	1.7
99.08070	2.4
105.07030	48.6
107.08582	8.6
109.06520	1.5
109.10175	5.5
111.08053	2.0
113.09641	1.2
115.05447	1.1
117.06233	1.3
117.07014	18.2
119.08584	19.2
121.06555	0.8
121.10142	8.9
123.08080	1.4
123.11703	2.4
125.09698	0.8
128.06206	2.1
129.07002	14.5
131.08562	33.4
133.06485	1.2
133.10130	16.4
135.08034	2.5
135.11674	4.9
137.09612	1.9
137.13225	0.8
141.06943	0.8
142.07751	2.7
142.72650	0.7
143.07512	1.2
143.08554	12.1
144.09282	0.8
145.10110	15.5
147.08052	3.2
147.11687	9.9
149.09593	2.1
149.13222	2.5
151.14862	0.7
153.01834	0.7
155.08560	0.9
156.09331	0.6
157.10133	15.4
159.11697	8.3
161.09610	8.3
161.13264	5.4
163.11137	1.4
163.14832	1.7
171.11690	18.0
173.13255	7.4
175.11212	6.5
175.14801	5.3
177.06805	1.3
177.16359	2.3
185.13266	12.6
187.14795	6.6
189.12741	3.5
189.16370	8.0
191.17976	1.1
199.14842	6.1
201.16312	3.3
203.14319	2.5
203.17929	15.0
205.15913	1.5
213.16368	5.5
215.17882	2.8
217.15909	1.7
227.17970	3.3
229.19589	1.2
241.19473	2.2
243.21034	6.3
259.20514	1.7
259.24200	2.7
269.22638	41.2
270.23013	0.9
287.05499	10.5
287.23676	100.0
288.24042	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2369
Annotation	11-cis-Retinol
Peak:m/z	Relative Intensity
53.03960	0.8
54.85386	0.7
55.05516	6.8
57.03442	0.6
57.07079	10.0
64.77095	0.7
65.03936	1.0
67.05508	14.5
69.07072	7.5
69.70271	3.0
71.04986	0.7
71.08638	6.5
74.00157	0.6
79.05492	11.3
81.06590	1.1
81.07058	16.3
83.04976	1.7
83.08628	3.7
85.06542	2.8
85.10185	5.7
87.53194	0.6
91.05488	28.5
93.07051	12.0
93.07630	0.7
95.04961	1.5
95.08617	11.2
97.06528	3.4
97.10146	1.2
99.08118	0.8
105.07035	43.1
107.08598	7.8
109.10168	5.5
111.08065	2.8
113.09658	1.1
115.05461	1.3
116.06205	0.7
117.07021	18.4
119.08586	18.7
119.75012	0.6
121.10159	8.4
123.08080	1.7
123.11708	1.8
125.09667	0.5
128.06197	3.4
129.07010	12.8
130.07803	0.7
131.08575	33.1
133.06532	1.1
133.10135	15.3
135.08058	2.4
135.11717	4.3
137.09622	2.0
137.13269	1.8
142.07770	2.3
143.07504	1.1
143.08568	12.1
145.10138	15.9
147.08003	3.2
147.11707	9.4
149.09604	2.3
149.13251	1.8
157.10146	14.2
159.11708	8.5
161.09613	6.7
161.13239	5.4
163.14833	1.0
171.11697	17.5
173.13284	6.7
175.11194	6.4
175.14838	5.3
177.16388	1.8
185.13272	13.2
187.14801	6.6
189.12706	3.4
189.16399	7.8
191.17940	1.5
199.14818	7.4
201.16374	3.8
203.14343	2.0
203.17969	14.4
205.15845	1.0
211.17636	0.6
213.16386	6.9
215.17973	2.3
217.15868	1.2
217.19612	0.7
227.17967	3.3
229.19676	0.6
241.19499	2.4
243.21118	6.2
245.19060	0.9
245.22633	1.1
259.20593	1.3
259.24231	2.8
269.22650	39.1
287.05527	2.2
287.23700	100.0
288.24112	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.055
Annotation	Fisetin
Peak:m/z	Relative Intensity
53.03943	0.3
55.01867	0.3
55.05496	0.6
65.03941	0.4
67.01868	0.3
67.05510	1.6
68.99791	2.3
69.03429	0.3
69.07061	0.8
70.19381	0.8
70.41235	0.2
71.04986	0.3
73.32236	0.1
75.89987	0.2
77.03967	0.2
79.05502	1.2
79.89555	0.2
81.03394	0.3
81.07059	1.6
83.08605	0.5
85.01379	0.2
85.06539	0.4
91.05476	0.7
93.07055	0.7
93.98051	0.2
95.04966	0.3
95.08603	2.0
95.39451	0.2
97.02917	0.3
97.06525	0.4
97.10177	0.4
98.21407	0.2
100.26004	0.2
105.03380	0.8
105.07021	0.8
107.04955	1.0
107.08598	0.8
109.02876	0.7
109.10155	1.5
111.00795	1.5
111.04413	0.3
111.80341	0.2
115.05470	0.3
117.06989	0.4
119.08586	0.7
121.02871	6.4
121.06474	0.2
121.10155	0.7
123.11686	0.5
127.03883	0.3
129.07013	0.4
131.08539	0.4
133.02827	1.0
133.06544	0.2
133.10141	0.6
135.04419	0.3
135.11699	0.5
137.02347	2.3
137.09657	0.2
141.06949	0.3
145.06491	0.5
145.10132	0.6
147.04425	1.3
147.11676	0.4
149.13271	0.4
153.01830	9.7
153.09129	0.2
157.06496	1.5
159.11708	0.7
161.05972	0.3
161.13269	0.2
165.01845	3.2
171.04381	0.8
171.11624	0.2
173.13263	0.4
175.03876	0.2
183.02916	1.8
185.05992	1.1
187.14900	0.3
189.05438	0.3
197.05981	0.3
213.05486	3.5
215.09045	0.5
216.04155	0.3
229.04984	0.5
229.19559	0.5
231.06508	1.2
233.18993	0.4
241.04979	1.7
241.08644	0.2
251.20056	0.7
258.05289	2.1
259.05991	0.8
269.04388	0.4
269.13547	0.8
269.22827	0.2
287.05505	100.0
287.23575	1.2
288.05804	1.5
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	Cyanidin
Peak:m/z	Relative Intensity
53.03947	0.3
54.27280	0.1
55.01854	0.3
55.05501	0.4
57.95156	0.1
61.16241	0.1
65.03938	0.4
67.01873	0.2
67.05514	0.6
68.99791	2.2
69.03439	0.4
69.07066	0.2
69.43372	0.6
69.43778	0.2
71.04983	0.1
74.63091	0.1
79.05499	1.3
81.03407	0.4
81.07071	0.7
85.02934	0.1
91.05492	0.7
93.07041	0.2
95.04936	0.4
95.08604	0.5
95.39619	0.1
97.06523	0.1
98.21487	0.3
98.97567	0.1
103.05490	0.7
105.03409	0.9
105.04510	0.2
105.07030	0.8
107.04967	1.7
107.08571	0.3
109.02888	0.9
109.06503	0.3
109.10146	0.4
111.00819	1.5
111.04440	0.5
115.05469	0.3
117.07041	0.3
119.04926	0.2
119.08603	0.2
121.02879	6.6
121.03915	0.5
121.06514	0.9
121.10136	0.3
123.04478	0.2
123.11691	0.2
127.03916	0.3
128.06189	0.1
129.07004	0.5
131.04922	0.4
131.08572	0.3
133.02850	1.0
133.10146	0.3
134.03625	0.1
135.04405	0.4
135.08055	1.0
135.11707	0.2
136.07558	0.1
137.02350	2.3
137.05975	2.0
141.06995	0.4
143.04961	0.2
143.80611	0.1
145.06520	0.8
145.10144	0.3
147.04407	1.7
147.08009	0.2
147.11700	0.2
148.05235	0.2
149.05994	1.6
150.22815	0.1
151.07553	1.0
152.06245	1.0
153.01836	11.4
157.06491	1.5
159.11685	0.3
161.05980	0.5
163.03918	0.4
163.07573	1.5
165.01852	4.2
165.07037	0.6
165.09073	0.2
166.02574	0.2
166.07773	0.7
167.08578	3.5
169.06445	0.4
171.04416	0.8
173.13268	0.3
174.06737	0.1
175.03879	0.2
175.07542	0.2
177.06995	0.5
177.09138	0.2
181.06598	0.2
181.10249	0.2
183.02905	1.7
183.08112	0.2
184.05206	0.2
184.08861	0.3
185.05969	1.2
189.05475	0.3
191.03447	0.2
194.02133	0.2
194.07327	0.4
195.08054	4.1
196.08842	0.3
197.05945	1.2
203.03378	0.2
205.06544	0.1
207.04289	0.1
209.09663	0.4
211.07538	0.3
212.08315	0.7
213.05481	3.3
222.06691	0.2
223.07550	1.2
227.10674	4.5
229.05009	0.4
229.19447	0.2
231.06538	1.1
232.03139	0.1
240.07864	0.3
240.19167	0.1
241.04970	1.6
241.12218	0.2
242.05695	0.2
243.06456	0.2
245.04434	0.3
255.07388	0.2
255.10181	3.2
258.05234	2.5
259.06049	1.0
269.04416	0.4
269.22769	0.4
272.10577	0.2
287.05508	100.0
287.23547	0.6
288.05856	1.5
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
53.03948	0.2
55.01858	0.2
65.03941	0.3
65.41781	0.1
67.01855	0.2
68.99792	2.5
69.03423	0.3
71.00739	0.2
71.01337	0.2
79.05489	0.8
81.03394	0.4
86.65001	0.1
91.05479	0.2
95.04949	0.2
103.05444	0.2
105.03372	1.0
105.07071	0.3
105.33231	0.1
107.04948	1.3
108.13081	0.1
109.02871	0.7
111.00817	1.6
111.04461	0.2
112.94170	0.1
115.05412	0.2
119.04906	0.2
119.08543	0.2
121.02870	7.3
121.03911	0.4
127.03880	0.2
128.06227	0.2
129.07013	0.4
131.04884	0.1
133.02840	1.0
135.04407	0.3
137.02351	2.2
139.05452	0.2
141.06958	0.4
145.06500	0.7
147.04431	1.9
153.01837	11.7
154.90752	0.1
157.06477	1.7
161.06012	0.6
163.04037	0.1
163.14424	0.1
165.01845	4.0
169.95630	0.1
171.04379	0.5
175.07509	0.1
179.42366	0.2
183.02907	1.8
184.05298	0.1
185.06006	1.4
189.05467	0.3
197.06036	0.3
199.03940	0.2
201.05423	0.1
201.67599	0.1
203.03403	0.1
203.06995	0.4
204.46431	0.2
213.05486	3.5
216.04262	0.2
217.04887	0.3
229.04890	0.3
231.06535	1.2
241.04979	1.7
243.06631	0.1
244.89442	0.1
254.97491	0.1
258.05255	2.5
259.06165	0.7
269.04437	0.4
269.09012	0.2
287.05502	100.0
288.05823	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0549
Annotation	Fisetin
Peak:m/z	Relative Intensity
55.01857	0.2
65.03934	0.4
67.01849	0.4
68.99791	2.1
69.03417	0.4
69.07069	0.2
71.01347	0.1
79.05495	0.7
81.03403	0.3
91.05499	0.2
94.04247	0.2
95.04955	0.2
97.02910	0.1
97.68041	0.1
103.05476	0.3
105.03399	1.0
107.04965	1.3
109.02898	0.8
111.00800	1.4
111.04439	0.2
115.05475	0.2
119.04910	0.1
121.02868	6.7
121.03868	0.4
127.03937	0.2
127.08699	0.2
128.06250	0.2
129.06993	0.3
130.48434	0.1
133.02861	1.1
133.06451	0.2
135.04430	0.5
137.02348	2.1
141.06973	0.4
143.05003	0.2
145.06506	0.5
147.04384	1.3
151.03932	0.1
153.01828	10.3
157.06503	1.3
159.52812	0.1
161.05992	0.5
165.01842	3.8
169.06508	0.2
171.04460	0.7
175.03986	0.2
183.02917	1.4
185.05994	1.4
189.05458	0.4
194.02090	0.2
197.06010	0.4
199.03973	0.2
203.03352	0.2
203.07025	0.4
213.05452	3.0
217.04868	0.2
223.03882	0.2
229.04941	0.5
231.06541	1.6
241.04948	1.8
243.06496	0.3
258.05258	2.1
259.06003	0.9
269.04456	0.5
287.05496	100.0
288.05807	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.021
Annotation	Unknow
Peak:m/z	Relative Intensity
71.30739	0.8
82.94823	0.8
82.99879	0.5
84.99596	0.5
96.66123	0.5
98.97581	2.9
101.00870	5.7
102.00948	1.1
102.96875	1.4
103.00638	2.7
116.98686	0.9
119.01921	9.0
120.02009	2.3
120.97958	0.5
121.01661	3.4
130.93286	0.6
134.99858	1.1
137.02956	0.9
139.02734	0.5
140.98814	0.6
142.98578	0.5
143.98622	0.7
158.99927	2.8
160.99672	1.9
161.99757	1.8
172.94386	1.9
176.00218	0.5
177.00963	8.5
178.00983	0.8
179.00685	8.3
180.00787	7.8
182.03580	1.4
185.99896	1.5
190.95401	1.5
199.04500	0.7
200.00241	0.8
200.04749	0.8
201.01077	1.3
203.00763	2.2
204.00899	2.5
216.98611	0.7
218.01227	7.8
219.02014	9.1
219.03899	1.2
220.04044	2.3
221.01767	12.7
222.01897	14.0
223.03595	0.5
227.00905	0.9
228.00929	1.3
232.96393	1.7
240.98111	0.9
245.01659	5.6
245.99467	1.0
246.01900	11.3
246.24109	0.5
250.00136	0.8
261.03030	0.9
262.03094	2.4
262.99789	1.3
263.02847	49.6
264.00452	24.8
264.03043	100.0
265.00299	0.6
265.02710	3.4
266.03299	0.6
279.12534	1.1
281.00720	0.6
282.01608	6.1
286.96201	0.8
286.99268	4.2
287.02060	1.2
287.04843	2.0
304.97220	1.0
305.00656	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	286.9721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.6
56.96566	3.5
57.03442	3.6
61.02934	8.6
69.03447	6.6
71.05003	1.6
71.28095	2.5
72.25351	1.1
73.02914	3.9
81.03434	2.5
82.44067	1.2
85.02917	14.8
85.67027	1.3
86.03217	1.2
94.93021	62.9
97.02907	5.4
98.97600	4.3
99.04443	1.7
99.43766	1.3
101.00869	3.5
110.97625	2.6
113.00852	3.0
113.30780	1.4
119.01894	4.4
120.02030	1.8
121.01696	1.3
121.02897	2.4
124.03968	4.5
125.04311	2.8
127.03912	5.0
131.01926	4.9
133.01730	1.9
140.02353	1.5
143.01869	2.2
144.99832	1.6
145.03476	2.5
145.04926	2.3
152.02448	1.3
153.01845	3.6
161.02966	2.9
168.99713	1.4
173.02982	2.5
176.03438	1.3
181.03433	1.8
182.03406	2.4
185.02951	1.7
186.09607	2.5
188.03362	3.7
189.00754	1.5
191.03778	1.4
196.54123	2.3
197.03931	1.6
199.02855	1.3
200.04453	2.0
205.54709	1.5
206.04474	2.7
216.00560	1.9
224.97169	100.0
231.01756	1.8
232.03543	1.4
242.98415	1.4
247.02908	1.5
248.03204	2.2
249.02945	1.4
259.02930	1.2
260.03088	1.5
268.73459	1.1
269.05670	1.3
286.97171	2.4
287.05533	36.4
287.10916	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	286.1398
Annotation	HC Blue No. 2
Peak:m/z	Relative Intensity
52.49382	0.5
52.84430	0.5
53.01864	0.5
55.01871	0.6
56.05038	0.8
56.96570	3.3
56.96811	0.6
57.03444	1.5
59.04998	0.7
60.57063	0.6
61.02941	3.2
67.05516	0.6
68.05035	0.7
69.03440	3.0
69.41908	0.6
69.71377	2.4
70.06597	86.0
71.05010	2.6
72.08158	0.6
73.02921	2.0
78.03448	0.7
79.05512	1.0
80.05031	3.2
81.03422	1.3
81.07076	3.3
82.05325	0.6
83.06106	3.8
84.04510	1.4
84.08127	1.0
85.02908	5.4
87.08137	0.6
93.04524	2.1
95.04968	0.7
95.06103	4.9
96.04490	2.7
97.02914	2.2
98.97586	3.6
101.00883	1.3
102.96886	0.9
105.07069	1.1
106.02931	0.6
107.06100	1.5
109.07611	0.5
110.07172	35.8
110.97582	1.4
112.07613	82.8
114.05536	1.1
119.01891	2.3
123.04458	0.8
124.03961	100.0
124.07594	2.0
124.99206	0.6
125.04324	0.7
127.03957	1.3
128.02354	0.6
128.98596	0.9
129.06587	0.7
130.05032	0.8
131.01855	0.7
137.06026	0.8
140.07076	47.2
140.47229	0.5
140.98544	0.6
143.00252	0.8
143.01941	1.7
145.04974	0.7
156.03366	1.1
156.07700	4.7
157.09737	3.7
157.43178	0.6
158.06633	6.4
158.99667	0.8
161.02905	2.6
163.03868	0.6
163.12312	18.7
166.06183	1.2
168.03383	1.1
170.06685	1.9
174.04466	1.1
176.07780	2.5
181.03543	1.0
181.49081	0.6
182.03403	0.7
185.01285	1.1
185.09242	6.1
186.04503	3.4
188.03418	1.3
188.07715	5.6
189.00848	0.6
190.13496	2.5
191.03931	0.8
197.03998	1.3
199.04613	1.5
200.04448	0.8
204.05560	1.8
208.14471	3.5
214.09346	1.8
219.11365	0.9
221.05177	0.6
224.07683	4.2
229.03821	0.6
236.14024	2.4
240.13657	1.1
240.17018	2.7
242.08774	2.5
244.13129	0.6
250.14525	1.5
254.15022	6.9
268.06775	2.0
268.15604	1.1
286.09302	13.5
286.14294	2.2
286.17691	21.8
286.20990	0.9
287.05487	2.8
287.11096	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	286.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59636	0.1
55.01883	0.2
56.05026	0.3
56.96555	1.2
57.03449	0.4
61.02916	0.4
67.23208	0.2
68.05040	0.3
69.03428	0.9
70.06596	17.3
71.04993	0.3
71.48138	0.3
72.08131	0.3
73.02919	0.2
78.03455	0.7
79.05518	0.2
80.04576	0.3
80.05022	3.5
80.72005	0.1
81.03458	0.4
81.07059	0.6
82.94829	0.2
83.06100	0.6
84.04499	0.3
84.08136	0.3
84.77572	0.2
84.96025	0.2
85.02905	1.6
90.57442	0.2
91.03995	0.1
91.05482	0.2
91.24856	0.1
95.04990	0.1
95.06087	0.8
96.04497	2.9
96.06419	0.2
97.02877	0.7
98.06042	0.2
98.97555	0.9
100.04020	0.2
101.07103	0.2
102.96889	0.3
106.02913	0.4
106.06564	3.5
110.07174	3.7
112.07613	16.4
114.05544	0.2
116.07078	0.2
116.98592	0.5
119.01853	0.5
123.04417	0.5
124.03960	100.0
124.07569	3.8
125.04331	0.2
127.03976	0.2
128.98650	0.3
130.05040	0.2
130.08714	0.3
131.00162	0.2
135.04381	0.2
137.02756	0.2
140.07074	8.9
143.00235	0.2
145.04927	0.2
147.07712	0.3
156.03294	1.1
156.07738	0.8
157.09746	0.7
158.06602	1.1
158.99719	0.2
161.01236	0.3
161.02786	0.2
163.04132	0.2
163.12331	2.0
165.05580	0.2
168.03333	0.3
170.06656	0.3
174.04413	0.9
174.99051	0.3
176.07666	0.6
181.03435	0.3
185.09206	2.2
186.04385	1.6
188.07730	1.2
191.03966	0.3
196.08157	0.2
199.04601	0.3
201.04387	0.2
204.05437	1.3
208.14482	0.4
214.09309	0.3
219.01727	0.3
224.07703	0.9
227.02385	0.2
227.16368	0.2
236.13945	0.4
240.17113	0.3
242.08768	0.5
250.14365	0.4
254.15018	0.9
268.06607	0.3
268.15491	0.7
286.09241	14.8
286.14166	0.6
286.17667	2.7
286.23978	0.3
287.10968	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.0922
Annotation	N-(beta-D-glucosyl)nicotinate
Peak:m/z	Relative Intensity
53.03949	0.5
55.01878	0.4
56.05021	0.2
56.96554	0.9
57.03436	0.8
61.02925	0.9
67.05495	0.3
69.03437	1.3
70.06595	4.9
70.54052	0.7
71.04980	0.2
73.02911	0.8
78.03454	1.0
79.04203	0.2
80.05017	3.4
81.03422	0.6
82.49866	0.2
84.04521	0.5
84.08154	0.3
84.96022	0.2
85.02908	3.2
92.54913	0.2
95.04955	0.3
96.04502	1.6
97.02891	1.0
98.97564	1.4
99.04465	0.4
100.10130	0.2
101.00860	0.7
106.06577	0.4
109.02888	0.3
110.01322	0.2
110.07163	1.3
110.97581	0.3
112.07613	4.2
113.00903	0.3
114.05521	0.3
116.98631	0.5
119.01921	1.0
124.03963	100.0
124.07505	1.3
125.04298	0.5
127.03922	1.0
128.02324	0.3
131.01897	0.7
136.06139	0.3
137.05962	0.4
140.07062	2.1
143.00159	0.3
143.01929	0.7
145.03549	0.3
145.04967	0.3
152.02191	0.3
155.01920	0.2
157.03577	0.3
157.09724	0.3
158.06621	0.2
158.80074	0.2
158.99612	0.3
161.02933	0.6
163.12390	0.5
173.02979	0.4
179.03108	0.2
181.03398	0.5
182.03290	0.2
185.02977	0.3
185.09236	1.9
186.04445	0.2
187.00919	0.4
188.03419	0.7
188.07794	0.3
189.00751	0.3
191.03908	0.4
197.03946	0.6
199.04498	0.6
203.02258	0.2
208.14426	0.3
237.03026	0.2
242.01674	0.2
245.05122	0.2
247.02963	0.4
250.14429	0.4
255.10732	0.3
258.05127	0.3
263.02957	0.2
278.12430	0.4
286.09244	11.1
286.17896	1.0
287.05722	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2213
Annotation	Vitamin A2
Peak:m/z	Relative Intensity
55.05502	19.2
55.73101	4.3
56.54932	5.0
57.07069	8.2
63.00077	6.4
67.05512	33.2
69.07078	66.8
71.05004	11.7
79.05502	23.0
81.07053	45.8
83.05006	5.6
83.08621	12.4
91.05474	27.8
93.07058	40.6
95.04974	15.2
95.08616	48.1
97.06541	25.1
97.10178	4.9
105.07032	74.7
107.08591	57.5
109.06535	23.2
109.10151	37.3
111.08067	5.6
117.07027	12.7
119.08585	100.0
119.15836	4.6
121.06480	9.9
121.10142	42.4
123.08074	8.9
123.11705	22.9
125.09644	4.9
131.07710	6.9
131.08548	25.9
133.10130	60.9
135.08073	13.3
135.11723	21.7
137.09624	11.1
141.07039	7.3
143.08572	9.4
145.10097	33.6
146.07242	7.9
147.08124	5.4
147.11688	26.3
149.13234	5.3
157.10107	11.9
159.11703	18.0
161.09641	89.3
161.13260	13.5
169.10149	12.4
171.11716	13.7
173.13260	12.3
175.11197	9.5
175.14833	73.3
177.16393	14.9
183.11649	9.3
185.13255	18.3
187.14825	6.4
189.16460	7.4
193.15901	7.2
197.13217	14.3
199.14745	7.5
211.14868	15.4
222.72035	5.1
225.16306	7.5
267.21140	21.3
285.18649	8.0
285.22122	93.1
285.30002	11.6
285.33435	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	285.2213
Annotation	Vitexifolin C
Peak:m/z	Relative Intensity
55.05525	5.7
56.07190	1.2
57.03437	1.1
57.07064	1.7
63.00014	1.4
63.06628	1.1
66.69041	1.1
67.05511	17.3
69.07067	15.8
70.08068	3.7
70.95861	1.1
71.04974	4.8
79.05495	10.3
81.07059	17.4
83.04971	1.4
83.08601	3.5
85.06535	3.3
91.05482	11.7
93.07050	16.6
95.04965	2.6
95.08607	15.0
96.78443	1.2
97.06518	1.3
105.07035	17.0
107.08599	10.5
109.06501	2.0
109.10165	18.2
111.08067	1.8
117.07003	9.0
119.08585	18.4
121.10147	10.8
122.87419	1.1
123.08047	2.2
123.11720	5.8
125.09608	1.5
128.06209	3.9
129.07010	10.6
131.08577	20.0
133.10141	11.5
135.08037	2.0
135.11703	5.0
137.09554	1.2
141.07005	5.1
142.07771	6.2
143.08574	16.7
144.09274	2.2
145.10124	17.4
147.08057	1.6
147.11671	5.6
149.13242	2.8
155.08554	10.0
156.09334	8.9
157.10152	31.6
158.10921	3.1
159.08023	1.6
159.11710	22.0
161.09615	3.4
161.13269	4.8
163.11156	1.9
164.98438	2.6
165.06934	1.1
167.08595	1.7
168.09338	2.1
169.10130	13.9
170.10898	2.8
171.10294	2.0
171.11696	31.9
172.12488	1.2
173.09637	2.3
173.13281	11.4
175.11205	6.4
175.14772	2.6
177.12741	2.7
179.14279	1.3
181.10135	1.6
182.10896	2.2
183.11697	10.3
185.13292	13.2
187.11169	1.2
187.14821	4.8
196.12460	2.4
197.13261	17.7
198.14014	2.3
199.14894	8.3
201.12709	2.1
201.16425	5.1
211.14836	16.6
212.15573	1.6
213.16350	2.5
215.14366	11.5
215.17931	2.1
216.15033	1.3
217.15862	1.9
219.17525	1.2
225.16319	5.8
225.78307	1.2
227.17944	58.8
228.18275	1.1
229.15863	11.0
239.17865	2.4
241.19586	6.8
243.17313	1.6
243.21141	2.4
257.08832	1.4
257.18884	1.3
257.22672	1.6
267.21091	40.6
268.21204	1.5
285.18448	10.4
285.22113	100.0
286.22375	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2213
Annotation	Vitamin A2
Peak:m/z	Relative Intensity
53.03931	5.3
55.01867	4.1
55.05516	20.2
55.72414	2.9
57.03411	4.3
57.07079	7.4
63.00030	4.6
67.05500	28.3
69.06730	5.3
69.07069	60.9
70.06716	13.0
71.04977	9.3
79.05489	15.8
81.07059	48.9
83.08615	12.9
85.02915	4.3
85.06539	4.4
91.05479	33.4
93.07038	42.2
95.04974	16.4
95.08615	57.4
97.06525	15.8
97.10147	8.1
105.07034	78.8
107.08598	44.6
109.06522	27.7
109.10163	32.5
111.08063	8.6
111.80988	3.0
115.05449	3.5
117.07020	9.4
119.08580	100.0
121.06509	18.8
121.10157	43.2
123.08079	6.8
123.11709	25.3
128.06189	4.2
129.07013	5.4
131.08560	19.6
133.10118	53.5
135.08029	14.8
135.11678	15.8
137.09650	6.8
137.13249	5.9
141.07007	4.6
142.07750	3.9
143.08604	7.5
144.92654	3.3
145.10141	32.2
146.07312	7.6
147.08051	4.1
147.11673	22.8
149.13281	4.8
155.08563	9.2
156.09392	4.2
157.10144	14.2
159.11674	17.5
161.09630	89.0
161.13278	12.1
163.11250	3.1
163.14795	5.7
169.10107	8.9
170.10843	3.8
171.11748	8.6
173.13284	14.6
175.11235	4.3
175.14828	67.1
177.16383	12.8
181.10141	5.9
182.10852	4.6
183.11734	8.2
185.13290	16.9
187.15077	3.6
193.15909	12.2
197.13287	16.4
199.14742	6.4
201.12607	3.9
203.18022	5.3
211.14859	18.7
215.18073	4.0
220.82422	3.2
227.17804	4.2
257.22601	4.1
267.21143	20.5
285.18677	4.8
285.22104	70.8
285.29819	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	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.1
54.35428	2.0
55.01859	5.7
55.05510	29.7
57.03439	47.5
57.07043	6.8
63.00021	4.7
65.50707	2.2
67.05503	45.5
69.03400	5.2
69.07063	17.2
70.50446	5.0
70.50808	4.5
71.04990	14.4
71.08607	2.5
79.05085	3.3
79.05489	39.9
81.03417	96.7
81.07056	57.9
83.04974	21.4
83.08620	36.7
85.02906	86.6
85.03387	1.8
85.06511	6.8
91.05481	56.7
93.06488	2.9
93.07041	32.6
95.04975	39.5
95.08087	2.5
95.08610	28.0
97.02852	6.3
97.06490	9.1
97.10170	5.4
98.20818	2.2
98.98402	6.3
105.07035	51.4
107.04937	6.2
107.08614	14.9
109.06458	7.7
109.10143	10.7
111.04416	4.2
111.08086	20.8
113.06002	5.0
115.05417	4.7
117.07022	15.5
119.07842	3.4
119.08596	39.8
121.10141	22.8
123.08016	6.9
123.11645	8.3
128.06155	5.0
129.07001	51.7
131.07631	2.7
131.08557	35.7
133.06465	2.9
133.10114	18.7
135.04359	3.6
141.06932	10.5
142.07715	7.2
143.08490	8.2
144.09279	2.9
145.10103	24.7
147.07996	6.6
147.10701	2.4
147.11697	30.4
149.09579	9.5
151.11116	2.6
155.08540	7.1
156.09293	2.6
157.10126	35.6
159.08000	3.6
159.11632	9.8
161.52391	2.3
165.12689	9.2
169.10046	9.3
171.11664	9.8
173.03583	4.9
173.09593	5.8
173.13173	4.1
175.11203	25.8
183.11620	10.1
185.13187	7.8
189.47379	2.4
193.12245	100.0
197.13188	8.4
201.12642	6.6
201.16364	5.4
211.13258	75.5
213.16508	2.9
215.14192	3.6
225.16278	3.6
227.17914	3.8
229.09891	2.9
241.19484	6.4
267.21027	16.9
269.37442	2.5
285.16876	49.3
285.21994	79.7
285.29865	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	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.1
55.01874	6.8
55.05515	33.6
57.03443	49.8
59.04996	2.8
63.00045	2.5
67.05507	44.0
69.03436	7.6
69.07071	14.2
69.15008	20.8
71.01356	2.0
71.04998	17.4
79.05498	52.9
81.03421	100.0
81.07063	57.6
83.04990	24.0
83.08623	40.7
84.04498	7.4
85.02912	80.6
85.06543	5.5
87.04477	2.1
91.05486	53.7
91.06027	3.6
93.07053	35.9
95.04973	43.3
95.08604	25.7
97.02907	6.3
97.06541	9.5
97.10168	4.6
97.65680	1.7
98.98445	3.3
99.08092	2.8
100.58673	2.3
105.07036	44.8
106.06551	2.0
107.04970	12.7
107.08595	16.5
109.06533	9.4
109.10181	10.2
111.04436	5.7
111.08075	21.3
113.06017	6.8
115.05464	3.9
117.07032	4.8
119.08593	35.0
121.10143	22.2
123.08083	5.3
123.11736	8.2
125.09623	4.4
128.06241	3.5
129.07024	18.9
130.05009	2.7
131.08589	20.0
133.06497	5.8
133.10138	22.4
135.11684	3.5
137.09679	4.2
141.06567	9.2
142.07790	5.7
143.08574	8.5
144.09320	2.1
145.10117	11.9
147.08052	4.2
147.11685	29.5
149.09627	13.1
151.07605	3.1
155.08539	4.6
157.10164	34.1
159.11699	11.1
161.05984	4.7
161.13268	3.9
163.11176	2.6
165.07040	4.7
165.12743	6.5
169.10146	6.8
171.11729	5.6
173.13292	5.1
175.07680	2.6
175.11208	29.8
182.07224	2.4
183.11687	3.1
185.13293	4.6
187.14758	2.1
193.06551	2.8
193.12257	91.9
197.13345	3.4
199.14821	15.0
207.51805	2.0
210.06702	3.2
211.13275	56.1
213.16478	3.6
215.87230	1.8
221.06218	2.5
221.93542	2.8
225.09190	6.2
225.16428	2.6
227.18011	4.2
233.06763	2.8
241.08766	3.2
253.08661	9.7
255.06743	2.7
256.07330	2.6
267.06616	4.9
267.11343	2.2
267.15927	6.0
267.21054	7.9
270.08774	2.6
285.04260	2.6
285.07715	6.1
285.11404	14.8
285.17029	64.6
285.21994	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	284.1646
Annotation	Coccuvinine
Peak:m/z	Relative Intensity
51.84590	0.3
58.57709	0.3
62.64294	0.3
67.05507	3.5
69.65600	1.3
69.66010	0.7
79.05499	2.6
80.04982	0.4
81.07043	0.7
82.06570	0.4
91.05463	0.7
94.06535	0.4
95.04976	0.4
95.08619	0.4
96.08137	12.5
98.20737	0.3
105.07008	0.9
111.08087	1.4
115.05464	0.8
117.07005	0.5
119.08619	0.4
122.06689	0.3
122.34859	0.3
128.06242	2.3
128.10728	4.2
129.07016	31.5
131.08565	2.2
142.07793	0.4
143.08571	3.7
146.06073	0.6
153.06963	0.7
155.08563	20.1
157.06505	13.2
157.07552	0.2
165.07027	1.4
166.07779	0.8
167.08582	2.0
168.09332	0.7
169.10175	0.4
170.09700	0.3
172.96609	0.3
179.08574	2.8
180.09360	1.4
181.05006	0.4
181.08784	0.6
181.10155	4.0
183.11740	1.0
191.08734	0.4
192.09369	3.0
193.10030	0.5
194.10968	2.8
196.11266	1.2
198.09163	13.7
207.11736	4.1
209.13324	10.6
210.09142	0.8
211.09935	0.4
224.10988	0.3
224.14371	5.2
226.12251	0.4
234.12938	0.6
235.11218	0.8
252.13860	18.2
256.17010	1.0
284.16467	100.0
284.29514	1.1
285.16815	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0992
Annotation	Guanosine
Peak:m/z	Relative Intensity
56.96552	1.0
57.03429	0.6
69.03434	0.3
70.33869	0.4
70.34261	0.4
73.02907	0.3
78.61783	0.2
82.99839	0.2
85.02922	0.5
89.80486	0.2
91.05539	0.2
91.29404	0.2
98.03268	0.2
98.97607	1.4
101.00883	0.8
102.96867	0.3
104.60661	0.2
109.05147	0.4
110.01380	0.3
110.03531	2.3
116.98628	0.3
119.01911	0.5
122.01388	0.4
128.04562	1.0
129.02122	0.2
131.01930	0.6
131.51962	0.2
135.03032	6.4
136.06194	3.6
137.01875	0.3
137.06082	0.2
140.60495	0.2
143.01921	0.9
145.03242	0.2
152.05685	100.0
153.04097	4.2
153.06030	0.5
158.02455	0.2
158.99858	0.3
173.02985	0.5
177.00970	0.7
177.09171	0.3
180.70874	0.2
187.02779	0.2
204.10098	0.4
214.00964	0.3
219.01970	0.8
230.11839	0.4
243.02025	1.0
245.04941	0.3
246.05728	0.3
248.12898	0.4
261.03064	7.0
266.13934	0.4
279.00595	0.4
284.09937	0.6
284.14935	1.1
292.24637	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0217
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29776	5.6
50.45226	4.0
52.41552	4.2
55.05508	6.1
55.93533	23.8
56.94302	24.4
56.96572	10.9
57.07053	5.8
57.67482	4.2
59.82446	6.1
60.32492	4.4
66.82640	4.6
67.05511	11.1
69.03419	6.2
69.07049	4.6
69.90164	12.2
69.90580	11.4
70.06580	9.0
70.95850	17.1
71.93018	5.8
72.53576	5.2
72.93791	74.9
76.98524	4.5
79.05502	24.4
81.03411	18.3
81.07054	25.7
82.95869	5.0
84.04476	7.6
84.08145	6.5
85.02891	16.8
88.96893	8.0
90.94816	33.8
91.05470	16.7
98.97586	10.5
105.07060	8.1
107.04984	8.1
109.06463	5.8
116.98579	5.1
118.94273	5.6
119.08655	5.7
121.06426	6.8
123.04464	5.4
126.98411	19.0
128.96344	13.2
131.08546	33.4
132.95779	8.1
133.02824	4.7
133.06468	5.0
133.10147	6.1
134.98909	5.5
135.04433	13.1
136.06175	8.6
137.05977	18.7
138.98404	13.1
144.99385	8.0
147.11179	4.9
147.12570	4.4
149.05965	11.4
150.05499	5.8
150.96880	4.4
150.98468	13.0
154.97908	13.6
157.84659	4.5
159.08047	27.7
164.07047	10.5
165.09148	8.8
165.97142	9.8
166.97896	22.9
170.97441	8.7
171.01170	5.2
172.98975	13.9
173.07147	4.8
177.09117	51.2
180.99448	24.8
183.98137	8.1
184.98903	6.6
189.80286	4.9
192.06557	14.1
193.07405	5.6
196.98970	14.8
198.96817	7.0
199.00522	100.0
204.10231	5.8
206.04646	4.8
210.96919	6.6
215.00056	48.4
217.01604	49.6
220.13278	31.6
222.02147	19.2
222.11244	23.2
230.11801	8.5
233.01050	22.3
239.99904	9.1
242.99519	38.1
248.12822	19.2
261.00534	23.5
266.06503	8.3
266.13840	35.4
268.07251	4.8
284.07599	15.5
284.14917	68.6
284.29428	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	283.227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	6.9
55.05517	32.1
57.03434	8.4
57.07068	6.5
59.05014	2.5
67.05509	34.6
69.03446	4.4
69.07075	60.2
69.96871	9.3
69.97298	4.4
71.05008	22.5
76.49708	2.3
79.05496	28.0
81.03416	6.0
81.07062	77.1
83.01353	3.2
83.04978	11.3
83.08601	12.2
85.02907	5.4
85.06549	100.0
87.08109	3.2
91.05479	19.4
93.06491	4.4
93.07053	71.0
95.04980	7.3
95.08614	75.1
97.06535	17.2
97.10162	6.7
98.20686	2.3
99.08076	6.9
105.07040	42.7
107.04970	4.2
107.08599	73.5
109.06511	5.9
109.10168	26.3
111.04427	3.9
111.08090	29.3
111.11736	4.4
113.09605	3.6
115.07580	5.8
117.06998	11.2
119.08585	32.3
121.06535	2.5
121.10146	32.8
123.08144	3.2
123.11677	14.7
124.46072	2.4
125.09631	5.9
127.11219	3.2
130.07846	2.3
131.08589	24.3
133.10132	30.6
133.24506	2.5
135.11702	26.6
137.09653	4.6
137.13263	7.5
139.07567	3.2
139.11230	3.5
143.08583	7.9
145.10133	42.5
147.11685	31.7
149.09595	3.6
149.13272	40.1
151.11230	6.5
151.14819	9.3
153.12750	8.5
154.15407	2.6
155.08551	9.3
155.14276	4.7
157.10110	15.5
158.10895	2.8
159.11687	34.7
161.13260	15.1
163.11201	7.8
163.14835	5.9
167.08521	2.9
167.14284	4.0
169.10074	6.9
171.11676	6.5
173.13283	29.0
175.14839	8.5
177.16409	3.0
179.08549	3.6
179.14299	2.4
181.10027	3.2
181.12306	4.2
183.11739	10.1
185.13283	5.2
187.14848	36.5
189.16382	11.0
191.10669	3.9
191.14305	6.4
195.11731	9.1
197.13264	6.0
199.14957	4.6
201.16403	10.9
203.17952	15.4
209.09422	2.0
209.13295	6.1
210.14020	4.5
211.14806	4.0
223.14873	8.1
225.16383	16.1
227.14444	4.1
229.19534	50.4
239.17934	3.1
241.15898	3.6
244.69072	2.3
247.20601	42.6
255.21080	3.1
265.19400	6.9
265.21680	23.0
283.09515	2.6
283.15680	12.7
283.20547	50.5
283.23538	4.2
283.26239	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05268	2.2
55.05515	23.7
57.03426	4.1
57.07083	3.9
59.52719	1.5
67.05506	38.2
69.03416	2.5
69.06734	2.5
69.07074	35.1
69.45038	8.7
71.04999	26.1
79.05492	18.1
81.07061	65.9
83.05008	2.9
83.08624	10.7
85.06548	100.0
87.08146	2.1
91.05493	12.1
93.07049	36.4
95.08612	81.8
97.06519	6.2
97.10199	4.1
99.08103	16.7
101.20599	1.7
105.07041	35.9
107.08604	42.8
109.06556	1.8
109.10164	55.3
111.08051	7.6
113.09648	8.2
115.07643	1.9
117.07001	3.6
119.08579	38.7
121.10146	32.3
121.11030	1.6
123.08109	2.5
123.11710	30.4
125.09631	19.0
127.11195	11.7
131.08580	8.5
132.84811	1.7
133.10150	21.8
135.11687	18.9
137.09639	18.6
137.13268	5.8
139.11191	10.4
141.09091	4.3
144.09348	1.7
145.10132	17.4
147.11705	27.0
149.13242	9.7
151.11195	5.4
155.10684	2.8
157.10135	2.2
159.11716	25.9
161.13269	12.6
163.11133	2.8
163.14810	9.0
165.12749	6.2
169.12303	5.7
171.11772	2.1
173.13248	16.5
175.14853	5.1
177.12799	2.1
177.18489	1.6
187.14880	8.9
189.16377	9.1
189.98065	1.8
191.14345	2.9
201.16521	3.7
203.17986	9.8
205.19620	1.8
207.17458	2.2
211.14548	1.7
217.19501	4.2
221.18933	3.1
229.19518	25.5
235.20506	3.3
247.20572	28.1
265.21646	57.5
283.22723	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	283.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.3
55.01879	19.6
55.05276	3.6
55.05511	37.3
57.03438	22.0
57.07064	6.5
65.03940	5.7
67.05504	51.5
69.03414	6.6
69.06735	3.5
69.07066	40.4
69.23843	24.7
71.04996	29.5
79.05496	43.9
81.03403	8.3
81.06609	5.8
81.07060	89.8
83.01315	13.0
83.04977	13.9
83.08607	21.8
85.02896	4.4
85.06543	100.0
87.04453	3.1
89.06065	3.1
91.05479	26.8
93.07043	58.9
95.04968	8.8
95.08611	93.3
95.52598	2.6
97.02895	4.0
97.06531	14.0
97.10144	8.6
99.04456	3.8
99.08085	17.3
102.13235	2.9
105.07023	43.6
107.04951	9.3
107.08594	61.6
109.06497	11.6
109.10152	55.1
111.04436	5.9
111.08053	11.9
113.09637	7.9
117.07002	12.4
119.08581	44.6
121.06510	5.0
121.10139	44.3
123.08051	11.3
123.11698	27.8
125.09595	16.4
127.11184	9.7
129.06984	5.3
130.07733	3.6
131.08580	19.4
133.10141	19.9
135.07977	3.5
135.11684	28.3
137.09592	19.0
137.13252	4.5
139.11147	9.1
141.09094	5.4
142.07741	3.0
143.08557	5.7
144.09340	3.3
145.10112	37.3
147.11699	27.3
149.09561	6.1
149.13239	8.7
151.11160	7.2
153.12752	6.9
155.08557	10.0
157.10118	11.4
159.07983	2.9
159.11703	32.3
161.13260	13.6
163.11174	29.4
163.14821	7.0
167.08524	4.5
169.10123	4.3
171.11699	4.0
173.09636	7.9
173.13258	21.5
175.14780	5.0
181.10223	3.1
181.12173	5.7
183.11720	4.7
185.13214	2.8
187.14804	10.6
189.16312	6.3
195.11623	5.1
199.14888	3.8
203.18013	6.2
209.11769	9.4
223.14705	4.4
225.16223	4.1
229.19533	18.7
235.20506	4.8
247.16927	3.3
247.20631	21.2
265.19427	4.9
265.21695	48.6
283.15463	22.1
283.20316	35.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	21.3
57.03423	3.3
67.05505	36.1
69.07076	34.1
70.29670	7.1
70.30025	6.3
71.05003	26.8
75.43216	2.9
79.05504	18.4
81.07060	71.8
83.04968	3.0
83.08620	10.1
85.06548	100.0
90.43525	3.1
91.05471	9.1
93.07045	36.1
95.08610	79.7
97.06551	4.8
97.10162	4.6
99.08092	18.6
105.07013	29.3
107.08586	45.1
109.10165	58.7
111.08073	9.0
113.09633	6.1
119.08575	33.9
121.10156	30.5
123.08043	5.6
123.11720	28.9
125.09644	17.8
127.11194	13.7
131.08566	6.5
133.10144	21.2
135.11681	16.2
137.09612	19.9
137.13228	3.2
139.11153	12.8
141.09039	3.4
145.10095	14.7
147.11700	24.5
149.13277	8.1
151.11191	7.5
159.11707	26.5
161.13249	12.0
163.14836	10.7
165.12712	6.7
167.14279	3.2
169.89273	3.3
173.13274	18.8
175.14825	7.0
177.12798	3.4
187.14798	9.3
189.16411	9.2
201.16380	5.9
203.17972	8.4
229.19518	21.7
247.20551	22.2
265.21640	46.0
283.22635	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	283.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.0
55.05512	23.5
57.03440	6.4
57.07063	7.9
60.10962	2.2
66.57746	2.4
67.05183	3.1
67.05508	43.6
69.07071	35.6
69.23849	2.2
70.74068	4.1
71.05003	25.0
77.03958	1.9
79.05495	23.0
81.06600	4.4
81.07059	71.4
83.04981	4.9
83.08627	17.0
85.06547	100.0
87.04463	2.5
91.05472	16.1
93.07052	46.2
93.53105	2.5
95.04980	4.3
95.08611	77.0
96.92754	2.5
97.06540	5.6
97.10188	5.3
99.08112	12.9
105.07033	34.0
107.08596	47.8
107.61449	2.1
108.01269	2.2
109.06560	2.6
109.10156	54.7
111.08064	9.4
113.09632	9.0
115.24358	2.1
117.06975	4.9
118.23830	2.6
119.08578	39.7
121.06422	2.7
121.10148	32.0
123.08072	5.9
123.11708	28.4
125.09623	20.7
127.11220	13.5
129.07018	3.4
130.07774	3.3
130.62044	2.3
131.08565	12.6
133.10136	18.8
135.11697	17.7
137.09642	15.3
137.13268	4.2
139.11169	10.7
141.09079	3.1
142.07732	2.3
143.08546	4.0
144.09337	3.9
145.10135	20.7
147.11711	29.4
149.13222	10.7
151.11183	3.6
153.12686	2.8
157.10130	5.0
158.10805	3.2
159.11720	27.5
161.13304	17.0
163.11235	5.5
163.14774	8.6
165.12776	4.3
173.13286	18.3
175.14778	5.7
177.12807	2.6
177.16400	4.5
181.06319	2.9
183.11653	4.1
187.14833	10.2
189.16386	8.7
191.14333	2.6
201.16315	6.5
203.17975	9.0
205.15791	3.3
217.19505	2.3
219.17560	2.0
223.14865	2.5
224.19234	2.3
229.19501	24.2
235.20511	2.3
240.68317	2.2
247.20573	22.6
255.31099	2.9
265.09875	7.9
265.21698	47.4
283.12897	3.6
283.15692	5.5
283.20294	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	283.2057
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
53.03935	2.0
55.01867	3.7
55.05513	9.0
57.03432	2.7
57.07059	4.2
67.05193	1.4
67.05512	20.6
69.03416	5.9
69.07072	6.9
69.28949	2.8
69.29369	9.7
70.27026	1.3
71.04990	7.6
71.08614	1.4
79.05505	15.1
80.36195	1.4
81.06604	1.5
81.07059	28.8
83.04977	5.0
83.08596	4.5
89.06042	3.5
91.05488	18.2
93.06490	1.7
93.07047	23.6
95.04973	10.6
95.08614	19.5
97.02898	1.7
97.06509	6.1
99.08087	2.0
103.05408	1.8
105.07039	41.8
107.04966	2.7
107.08604	20.6
109.06525	7.2
109.10147	13.2
111.08067	2.8
115.05487	2.1
116.06134	1.5
117.07010	8.3
119.08581	25.0
121.06498	6.0
121.10148	76.6
123.08059	5.4
123.11690	5.4
125.09599	2.2
128.06218	4.0
129.07034	9.4
130.07780	2.9
131.08563	23.7
133.06577	1.4
133.07628	1.7
133.10129	18.2
135.08046	5.9
135.11693	7.7
137.09575	1.8
141.06966	4.5
142.07771	5.8
143.08580	16.7
144.09328	3.6
145.10135	30.0
146.07379	1.5
147.08034	3.9
147.11713	7.4
149.09619	2.3
153.06998	2.2
154.07675	2.0
155.08565	6.8
156.09299	3.8
157.10136	18.1
158.10916	4.8
159.08038	3.4
159.11702	12.6
161.09634	21.2
161.13225	5.7
163.11214	7.2
165.07028	3.5
167.08549	4.8
168.09366	1.6
169.10121	11.7
170.10947	1.9
171.08023	2.1
171.11687	14.1
173.09602	4.9
173.13271	36.6
175.11197	3.9
175.14804	6.0
179.08572	3.6
179.40195	1.4
180.09355	2.6
181.06464	2.4
181.10085	7.0
182.10864	1.5
183.11691	6.3
185.09569	3.2
185.13269	8.5
187.11159	2.7
187.14784	7.0
189.12723	3.6
191.14270	3.1
193.10164	3.4
194.10934	3.9
195.11731	7.9
197.09579	1.6
197.13269	4.6
199.11136	4.2
199.14886	6.9
201.12740	2.2
201.16434	3.0
205.60985	1.3
208.12454	2.1
209.06004	1.6
209.13261	12.1
210.14072	1.8
211.14806	2.8
213.12741	4.1
213.16379	4.9
215.14420	2.0
221.13416	1.3
223.14764	6.9
223.91614	1.4
225.16402	2.4
227.14494	6.7
237.05556	10.2
239.17918	2.3
241.15964	3.3
241.19463	2.2
255.21014	6.9
265.05042	8.1
265.19568	20.3
283.06067	13.1
283.15393	4.5
283.20547	100.0
284.29337	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2056
Annotation	8-18 bonded retinal
Peak:m/z	Relative Intensity
53.03937	1.6
55.01865	2.0
55.05512	9.7
57.07073	2.9
59.04995	1.7
67.05514	14.9
69.03419	5.1
69.07066	9.8
70.32966	3.4
71.04990	4.1
79.05492	13.9
81.07057	25.4
81.19322	1.3
83.04963	3.6
83.08608	5.3
85.06541	1.4
91.05479	20.7
93.07047	26.0
94.47255	1.3
95.04983	8.2
95.08614	18.2
95.42693	1.4
97.06521	2.7
98.20822	1.5
103.05460	1.5
105.07030	42.9
107.08598	24.6
109.06494	5.9
109.10160	14.8
110.57793	1.2
111.08012	1.5
115.05434	3.8
116.06248	1.5
117.07019	9.2
119.08589	33.2
121.06531	9.8
121.10146	64.5
123.08039	4.6
123.11698	7.4
128.06201	4.0
129.06985	8.4
130.07767	3.7
131.08563	24.9
133.06473	1.8
133.07553	2.0
133.10126	26.3
135.08034	8.7
135.11659	7.0
137.09569	1.6
141.06946	2.0
142.07793	5.3
143.08560	18.3
144.09344	1.7
145.10126	30.7
146.07336	1.7
147.08035	2.9
147.11699	9.9
149.13231	2.6
155.08557	4.1
156.09325	6.4
157.10143	19.0
158.07382	1.6
158.10890	6.1
159.08067	4.0
159.11703	15.8
160.12552	1.4
161.09627	18.0
161.13234	4.6
163.11160	4.8
167.08549	2.8
168.09377	2.6
169.10094	7.4
170.10963	3.4
170.26768	1.5
171.08029	2.3
171.11681	14.2
173.09589	5.0
173.13263	42.9
175.11182	3.3
175.14854	4.2
179.08601	6.6
180.09294	2.4
181.10089	4.8
182.10904	1.6
183.11688	8.5
185.09584	3.8
185.13239	10.8
187.11168	4.2
187.14798	8.6
189.12744	4.2
191.14221	2.0
192.40616	1.4
193.10052	3.0
194.10899	4.6
195.11694	6.5
197.13263	4.6
199.11177	2.2
199.14847	9.6
201.12773	2.6
201.16368	5.2
203.14413	2.3
207.11571	2.5
208.12436	3.3
209.13306	13.3
210.14037	2.9
211.14766	3.0
213.12730	5.3
213.16360	4.4
215.14342	2.1
221.13293	1.4
223.14745	9.9
225.16356	7.8
227.12790	1.1
227.14348	10.2
229.67223	1.4
237.16231	2.8
239.18033	2.8
241.15845	2.9
241.19470	2.4
255.21072	11.5
261.21039	1.4
265.19492	23.2
283.06073	2.3
283.20566	100.0
302.92062	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.7
55.05493	1.3
56.05039	0.9
62.14595	0.8
69.07062	0.9
70.54755	2.1
71.04987	2.4
71.44321	0.7
72.97122	0.7
73.06564	1.3
79.05512	0.8
81.07055	1.4
84.08130	1.5
87.04456	2.6
87.35143	0.8
89.06037	100.0
91.05496	2.0
97.02863	0.9
105.07028	0.9
107.07074	2.4
120.08068	0.8
121.02983	0.8
121.06480	1.1
123.04424	1.0
124.93457	0.8
130.08644	0.8
133.08607	37.4
137.05995	1.0
148.07642	1.2
149.06003	1.0
149.07941	0.9
154.07617	3.9
163.06276	0.8
163.08051	1.0
176.07133	2.2
176.10764	2.2
177.07008	3.0
177.11182	6.6
181.06488	1.6
191.05750	1.8
195.08192	1.0
195.12328	1.0
199.09274	1.2
204.10228	2.1
205.06602	4.0
205.10901	5.1
206.11761	5.4
207.12082	1.1
213.10732	2.8
216.10924	0.8
218.11790	3.1
222.06931	1.0
223.07581	7.2
225.12514	1.3
227.12332	2.9
233.06001	1.0
234.13068	2.2
237.09261	1.5
239.14891	1.5
240.07773	2.2
243.13632	17.0
243.63837	2.4
244.09702	2.6
249.13675	2.3
250.14485	0.9
251.07043	8.9
252.07794	1.6
259.11923	0.9
265.08606	1.3
265.14957	9.3
265.65027	1.5
268.07309	1.9
268.97626	0.9
274.15497	3.7
274.65628	1.0
283.06174	1.9
283.09583	12.3
283.17331	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	283.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.5
55.05508	1.5
55.93530	1.0
60.46352	0.7
61.29585	0.7
68.99813	0.7
69.03419	1.0
69.07076	1.1
70.06628	1.0
70.66449	1.5
70.66781	1.5
71.04984	1.5
73.06561	0.9
79.05486	1.2
81.03417	1.0
81.07080	1.0
86.60313	0.8
87.04483	1.8
89.06033	100.0
91.05491	2.3
93.07041	0.8
97.02929	0.8
97.29356	0.7
103.05491	0.9
107.04987	0.8
107.07083	1.7
117.07063	1.1
119.08590	0.9
121.06571	1.0
123.04440	1.3
128.62752	0.7
131.04922	0.9
131.82474	0.8
133.08606	33.8
134.09697	1.5
145.06540	0.8
148.07574	0.8
149.05997	0.8
152.06221	1.7
154.07564	4.0
166.07866	1.1
167.08559	1.0
176.07172	1.7
176.08763	0.7
176.10712	2.4
177.06845	8.4
177.11230	6.4
181.06422	2.5
181.09938	1.0
191.05716	1.9
193.09856	0.7
194.07288	2.3
194.97472	2.5
195.07971	2.1
195.12291	1.8
197.05945	1.4
204.10258	2.1
205.06480	15.5
205.10928	5.6
206.11693	6.0
208.09683	1.0
212.98557	1.9
213.10791	1.4
218.11829	3.3
222.06770	2.8
222.96867	0.8
223.07550	18.7
227.12306	3.9
230.09407	0.8
233.05998	4.9
234.06807	1.5
234.13028	2.9
235.12029	1.3
237.09138	5.1
239.07011	0.9
239.14923	1.1
240.07933	4.6
243.13609	13.9
243.63849	1.8
244.09726	1.1
249.13585	1.3
250.06339	2.4
251.07042	24.4
252.07704	2.8
252.14143	1.3
255.26445	0.9
265.08688	4.2
265.14886	10.8
268.07297	3.2
268.97574	2.8
274.15451	3.1
282.98959	1.0
283.02798	1.3
283.06348	1.3
283.09650	33.3
283.17825	4.7
301.00137	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	8.5
53.96738	1.7
55.01876	41.7
55.05516	59.1
57.03442	47.6
57.07066	3.2
59.05008	10.2
65.03938	3.6
67.05508	54.1
69.03423	7.3
69.07073	25.2
69.14178	1.9
70.06580	1.8
71.04996	17.5
71.49541	2.9
76.04001	3.4
78.15711	1.9
79.05501	69.0
81.03421	25.6
81.06596	4.5
81.07061	69.8
83.01353	19.9
83.04497	3.9
83.04989	77.1
83.08629	34.7
85.02912	13.4
85.06530	9.4
89.06016	2.4
91.05493	46.0
92.84371	1.9
93.07050	85.5
93.31831	1.9
95.04972	19.4
95.08614	37.5
97.02890	5.7
97.06522	25.0
97.10193	3.9
99.04436	8.4
99.08117	4.1
99.82926	2.1
103.05479	2.2
105.07041	33.8
107.04971	27.4
107.08607	46.6
109.02872	1.9
109.06539	18.0
109.10162	18.4
111.04442	26.3
111.08086	13.9
111.11710	2.1
117.07027	19.8
119.08597	27.8
121.06524	11.8
121.10150	31.5
123.08076	22.4
123.11716	4.0
125.05997	6.6
125.09642	4.8
128.06258	3.8
129.07010	7.6
130.07831	4.2
131.04933	4.9
131.08578	17.8
133.10155	10.9
135.08037	10.0
135.11699	59.0
135.12729	3.2
135.58281	2.0
137.05972	5.3
137.09627	2.9
142.07794	2.4
143.08571	8.7
145.06483	4.9
145.09056	4.0
145.10135	48.3
147.08038	8.0
147.11676	6.2
149.09619	5.4
153.09129	1.8
153.12767	65.5
155.04805	2.1
155.08594	8.3
156.09387	3.8
157.10138	7.9
159.11710	11.7
161.13344	2.2
163.11195	76.4
167.08588	6.2
168.09299	2.3
169.10121	4.8
171.11693	4.8
173.09668	15.1
173.13228	4.4
175.11209	2.6
181.10172	3.7
181.10425	2.8
181.12233	45.0
183.11722	6.6
185.13341	5.0
186.10446	3.4
187.14738	2.2
191.10713	16.2
195.11729	4.7
197.13251	4.8
199.13232	2.1
199.14903	4.5
201.16434	3.3
209.11729	18.8
209.13382	6.4
211.14708	4.0
223.07733	2.3
223.14986	2.4
223.17010	6.1
225.16458	4.1
227.12770	43.6
236.14836	2.1
238.95663	2.0
240.07832	6.1
247.07016	3.3
247.16983	4.4
253.49982	2.5
265.08002	4.1
265.19824	5.5
268.07300	5.5
283.02490	2.1
283.06335	3.5
283.09641	22.8
283.15454	100.0
283.20410	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	283.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	10.9
53.67377	3.7
55.01877	48.6
55.05514	82.9
57.03444	71.2
57.07067	5.3
58.23516	4.2
59.05000	10.5
65.03936	5.1
67.05508	73.8
69.03432	10.0
69.07069	25.0
71.04990	16.2
71.49699	6.8
79.05498	85.5
81.03426	36.8
81.07056	76.2
83.01348	33.2
83.04987	51.3
83.08616	40.0
85.02899	12.6
85.06517	5.5
85.83881	4.6
89.06043	8.9
91.05480	62.2
93.07048	100.0
95.04984	24.6
95.08614	45.5
97.02889	11.0
97.06559	20.6
99.04462	8.1
105.07033	45.0
107.04947	30.6
107.08598	58.3
109.06532	18.7
109.10154	13.6
111.04465	16.2
111.08070	6.2
117.07026	29.9
117.56249	4.4
119.04940	23.7
119.08588	38.0
121.06507	15.2
121.09393	6.0
121.10143	37.9
123.08062	28.7
125.05966	6.6
125.09568	6.4
126.16085	4.2
129.07011	12.8
131.08546	20.4
133.10117	14.9
135.08069	6.6
135.11688	52.9
137.09605	8.2
139.07529	6.6
143.08595	20.1
145.06483	7.8
145.10130	62.7
147.08034	12.9
147.11700	5.7
149.09589	7.9
152.71320	4.1
153.12746	15.9
155.08534	12.5
157.10130	17.0
159.11696	7.4
163.11189	93.1
169.10129	9.9
171.08011	5.1
171.11716	11.9
173.09605	20.1
173.13237	5.1
179.30048	4.4
181.10370	5.9
181.12236	15.6
183.11728	5.6
185.09625	6.5
191.10684	14.9
191.14291	6.4
195.11708	8.7
199.07521	5.0
199.11171	4.5
199.14838	6.9
205.12944	4.3
209.11610	28.6
209.13437	5.5
225.16374	5.3
227.12759	13.0
237.16209	5.6
241.19540	5.5
265.19632	7.4
283.12479	6.4
283.15421	94.0
283.20364	62.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.154
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
53.03932	9.5
55.01875	36.1
55.05515	75.1
57.03440	58.5
57.07072	5.2
59.05018	10.1
67.05185	3.4
67.05509	41.5
69.03424	3.8
69.07070	11.6
71.01342	2.9
71.05004	15.6
79.05495	65.8
79.56647	2.4
81.03427	30.1
81.07062	60.5
83.01349	41.2
83.04987	46.0
83.08166	2.6
83.08624	39.9
85.02918	10.3
85.06544	3.3
91.05485	46.8
93.07047	83.1
95.04948	19.2
95.08616	28.1
97.02869	7.9
97.06534	16.7
97.10154	5.2
99.04438	5.5
105.07038	30.4
107.04956	25.8
107.08598	40.0
108.32718	2.2
109.06519	20.0
109.10158	4.4
111.04446	15.4
111.08051	7.6
115.05434	3.5
117.07035	26.8
119.08593	30.5
121.06516	10.0
121.10158	28.0
123.08075	22.3
125.05968	5.3
125.09600	4.9
129.06996	4.7
130.07767	3.9
131.08592	11.8
133.10146	10.8
135.08049	5.5
135.11703	41.8
137.09680	4.9
139.07544	4.1
143.08513	4.1
145.06564	2.3
145.10132	50.8
147.08034	8.4
147.11609	3.3
149.09622	4.6
151.11240	2.8
153.12730	17.2
155.08516	4.8
163.11191	86.2
163.12569	4.5
165.08955	3.2
173.09628	12.2
181.12228	19.7
191.10713	15.0
209.11720	27.5
220.71927	2.1
227.12729	18.1
237.51772	2.3
283.15369	100.0
283.20569	5.5
284.16391	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	283.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	11.4
55.01643	3.3
55.01872	49.7
55.05513	85.6
56.78889	2.7
57.03440	73.6
57.07058	11.5
57.38109	2.7
59.04984	11.7
59.52109	2.8
64.42817	2.7
64.52833	2.6
67.05504	43.1
69.03427	3.7
69.07064	20.6
70.62824	5.9
71.01351	3.1
71.04993	17.4
76.51286	2.7
79.05492	78.4
81.03419	40.3
81.06608	4.1
81.07057	67.6
83.01344	44.8
83.04980	52.1
83.08172	3.8
83.08620	47.9
85.02895	9.8
85.06528	4.0
89.06022	15.3
91.05484	53.0
93.07043	100.0
95.04974	25.0
95.08605	32.0
97.02890	4.6
97.06509	19.0
97.10143	10.4
99.04453	7.2
105.07023	34.1
107.04971	24.5
107.08593	46.1
109.06525	26.5
109.10143	13.0
111.04428	9.3
115.05451	4.2
117.07010	31.3
119.08585	33.6
119.34145	3.4
121.06499	12.1
121.10140	27.1
123.04395	3.9
123.08057	30.2
125.05997	5.7
125.09635	3.7
129.06969	6.5
130.07764	5.8
131.08562	11.1
133.08583	5.3
133.10130	3.6
134.09666	14.9
135.08121	15.0
135.10016	10.9
135.11693	53.1
137.09612	7.4
143.08562	7.3
145.06448	3.9
145.10127	60.3
147.07996	8.5
147.11714	3.9
153.12727	13.2
155.08534	5.7
163.11180	96.9
164.11655	4.2
165.09154	3.6
169.10220	3.7
173.09648	15.1
181.12173	15.0
191.10641	11.8
209.11761	25.4
223.14935	2.9
227.12698	11.4
248.24658	3.8
283.15399	98.6
283.22495	32.0
287.96451	3.3
293.59698	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	283.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.2
55.01876	50.5
55.03262	1.9
55.05513	79.5
57.03440	68.7
57.07067	5.9
58.57678	2.2
59.05005	13.4
67.05505	53.3
69.03434	2.6
69.07080	14.9
69.46018	2.8
69.46428	10.9
71.01342	5.1
71.04997	17.6
71.08646	3.0
73.39400	1.8
75.33525	1.8
79.05499	80.4
81.03421	35.7
81.07059	68.7
83.01345	48.4
83.04982	51.8
83.08620	46.3
85.02901	13.1
85.06553	7.0
89.06053	4.6
91.04920	2.2
91.05486	59.4
93.07047	93.6
95.04974	25.0
95.08616	35.2
97.02881	7.1
97.06545	21.0
97.10174	6.5
99.04444	9.7
99.08125	2.2
103.05449	4.3
105.04547	4.9
105.07040	47.3
107.04303	2.7
107.04966	29.1
107.08601	51.5
109.06514	26.4
109.10150	10.2
111.04441	12.9
111.08067	6.6
115.05458	2.6
117.07028	26.3
119.08591	49.7
121.06542	14.0
121.10149	49.6
123.08082	31.0
124.27219	2.0
125.06002	5.3
125.09642	7.8
128.06242	2.6
129.07013	7.3
130.07787	7.4
131.04956	1.9
131.08566	11.5
133.10156	23.4
135.08060	6.3
135.11699	51.2
135.48773	1.9
137.09644	5.9
139.07539	4.5
141.06982	2.4
142.07817	3.8
143.08543	8.0
145.06519	2.6
145.10130	51.8
147.08040	6.9
147.11687	17.1
149.09586	2.6
151.11252	2.5
153.07025	2.2
153.12746	17.4
155.08569	5.6
157.10153	6.1
163.11192	100.0
165.07030	2.8
167.08556	2.4
168.09323	2.4
171.11661	2.8
173.09639	14.8
175.11200	7.4
179.08557	3.6
181.12234	18.1
183.11685	5.2
191.10732	11.5
194.10930	2.9
195.11711	3.2
197.13312	4.3
199.14861	2.7
209.11743	28.4
209.13367	5.7
220.91821	2.0
223.14813	2.9
225.16383	4.0
227.12727	24.6
227.14587	2.2
265.19510	8.9
283.15497	89.4
283.20575	35.3
283.25998	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	282.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.6
56.29375	1.1
57.03427	4.3
61.02920	3.6
67.05503	1.4
70.17354	2.5
70.17741	2.2
71.04991	2.8
79.05491	2.8
81.07021	1.4
88.03973	1.3
91.05459	5.8
93.07034	2.1
103.05499	2.1
105.07036	7.0
107.04929	2.9
113.09691	1.3
117.07021	4.4
119.08573	1.5
120.08092	15.2
121.06503	4.4
128.06206	4.9
131.04921	1.9
133.06490	20.1
133.10144	3.4
135.03014	2.0
135.04381	1.8
137.05983	2.5
141.06970	1.6
143.08566	3.8
145.06476	2.6
146.07233	2.1
147.04442	1.4
147.08049	2.2
149.05994	11.5
152.05672	33.8
153.04027	1.6
153.05510	1.5
154.07822	1.5
157.06538	2.3
159.08046	2.6
161.05948	2.0
161.09612	15.9
163.07533	6.1
166.08685	1.6
167.07077	3.3
169.10287	1.6
171.08092	4.8
177.09094	9.2
187.11159	4.2
189.09111	100.0
190.17805	1.2
205.12216	5.4
206.11795	23.9
215.10689	9.0
232.13290	3.1
233.11774	17.4
236.09161	2.4
247.13284	5.2
250.14348	2.1
264.15955	5.6
265.14355	21.8
281.54688	1.8
282.07645	2.6
282.16348	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.0
54.84800	0.7
55.01857	0.9
55.05511	0.6
56.05061	0.6
56.96565	3.6
57.03418	2.2
59.99059	0.6
61.02910	2.6
67.05502	0.9
69.03430	5.2
69.75148	2.7
70.06566	0.9
71.04967	0.7
73.02921	3.2
78.03476	0.5
79.05496	0.8
80.86540	0.5
81.03405	2.2
84.08147	13.6
85.02911	20.3
85.06545	3.1
87.04465	0.9
91.03948	1.6
91.05465	0.9
97.02891	4.7
98.06049	2.4
98.20837	0.7
98.97591	20.3
99.04444	1.1
99.97923	1.2
105.07017	0.8
109.02858	2.3
110.97581	4.4
111.19590	0.5
112.07608	2.5
116.98613	6.2
119.01798	1.1
119.08556	0.6
124.99182	0.9
127.03922	5.1
128.06198	0.9
128.98601	3.1
129.03082	0.9
129.07030	0.7
131.08545	1.0
132.08083	0.8
134.99677	0.6
135.49202	0.5
137.05992	1.4
140.05576	0.9
141.05713	1.6
143.08562	2.1
144.99615	0.6
145.03908	1.0
145.04961	10.0
146.99599	1.0
147.08032	1.0
150.06601	0.9
150.07761	12.9
156.03401	3.4
158.06702	4.0
158.99663	6.2
159.06783	6.2
159.08125	1.2
160.05246	1.4
160.11256	1.2
161.01250	1.2
161.02843	0.6
161.05963	2.5
162.05531	1.8
163.06047	2.5
164.05870	0.6
164.07019	3.2
168.03340	1.3
170.99702	3.9
171.08076	1.5
174.04384	1.9
174.06752	0.7
175.07544	1.9
176.07626	1.9
177.00734	4.4
177.07860	21.7
177.09164	0.8
182.03314	1.0
182.53574	0.6
186.04350	3.5
187.04680	0.8
188.07735	1.5
188.10669	1.4
189.00775	2.9
189.09106	2.0
190.08690	3.3
190.12331	0.8
191.03928	1.1
191.54091	1.7
192.04648	2.4
200.10808	0.7
200.54628	1.3
201.05130	2.2
204.05458	2.0
206.11777	100.0
207.01784	0.6
218.08133	1.6
218.11827	2.2
219.01732	2.1
226.11043	5.9
237.02765	1.0
239.04349	2.3
240.04816	1.1
240.12639	0.7
244.12080	2.3
252.12631	17.4
253.12201	1.0
263.97168	0.9
264.12653	9.4
264.15860	1.6
270.13684	9.0
281.05505	1.0
281.98242	1.8
282.01294	1.3
282.13541	30.2
282.16312	3.1
282.22247	1.1
283.13470	1.1
300.02368	1.8
300.05899	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.3
53.55354	3.0
55.01871	7.6
56.96565	7.4
57.03442	20.3
61.02930	25.1
69.03434	34.5
70.78751	10.6
71.04979	3.7
73.02921	75.7
74.03268	3.3
75.88685	3.7
80.54771	3.5
81.03422	13.7
82.89229	3.2
82.99866	3.5
84.08171	19.9
84.91173	5.1
85.02915	77.1
86.03257	4.8
88.02689	5.2
93.01917	6.7
94.93021	12.0
96.02432	5.3
96.92873	4.9
97.02911	35.1
98.01308	6.8
98.97591	47.4
99.04484	3.2
101.00862	12.7
102.02419	8.9
106.02656	5.1
108.02412	7.9
109.02859	9.2
110.01310	6.5
110.51466	4.7
110.97593	9.7
111.02150	2.8
111.02968	7.5
113.00871	8.5
114.02450	4.9
115.03945	3.8
116.01247	4.3
116.98608	9.8
117.02131	3.5
117.02914	10.2
119.01866	22.0
120.02576	6.2
123.02904	7.1
125.01866	3.1
125.51991	4.7
127.03915	25.5
128.02223	4.1
128.04384	3.3
128.98578	7.0
129.03015	13.0
131.01889	15.0
132.03465	12.9
135.02933	5.5
136.03748	5.3
138.02557	3.6
138.03491	21.2
143.01907	50.0
144.01933	3.2
144.03462	7.5
145.03365	4.4
145.05011	16.3
147.03964	22.5
150.07755	48.4
153.03993	25.0
153.54141	5.3
155.01875	24.1
155.53008	5.1
156.03511	6.9
157.03535	7.4
157.52660	3.8
158.99696	16.8
161.01402	4.3
161.01607	5.2
161.02956	40.1
162.04524	19.9
162.54477	3.9
165.03989	10.4
167.01961	11.7
170.99719	5.5
173.02957	35.3
174.04523	30.3
174.54587	5.3
176.93512	6.9
177.00748	5.8
177.07877	18.4
182.03299	3.8
182.53609	9.7
183.05055	100.0
183.55197	9.6
185.02959	25.5
186.03181	3.6
189.00694	4.0
191.03960	18.4
191.53958	17.0
192.05725	62.1
192.55803	4.4
195.01678	4.9
200.04442	7.2
200.54584	25.6
201.05170	21.8
203.04041	29.6
206.11771	74.1
215.04164	4.1
219.01797	9.7
220.02100	3.5
221.05080	11.4
223.01149	14.5
227.04082	3.6
233.05202	6.7
239.04352	20.8
245.05080	11.4
249.76665	3.2
257.05377	4.3
263.06094	3.9
280.04233	4.1
281.05408	11.2
282.02008	4.2
282.04880	18.6
282.08490	14.7
282.15988	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	281.2477
Annotation	chaulmoogric acid
Peak:m/z	Relative Intensity
52.40585	2.1
53.03949	5.1
55.01854	2.8
55.05515	52.7
55.21211	2.2
56.96544	2.2
57.03431	4.8
57.07080	22.4
65.03935	4.2
67.05511	46.2
67.44133	2.0
67.57143	2.3
69.03441	5.1
69.07071	83.0
69.26614	7.7
69.27032	13.3
71.04984	9.7
71.08630	6.9
78.76966	2.3
79.05487	20.0
81.07063	100.0
83.04961	5.4
83.08155	4.2
83.08627	57.2
85.06541	8.9
85.10184	3.1
91.05473	21.4
93.07054	36.4
95.04974	7.7
95.08614	91.8
97.06524	6.3
97.10178	29.5
99.08080	6.2
100.74487	2.5
105.07034	34.6
107.04967	3.3
107.08597	39.6
109.06510	4.0
109.10161	51.6
111.08091	9.1
111.11731	20.5
113.09650	3.5
117.07029	2.4
119.08591	27.0
121.06542	3.3
121.10151	20.9
123.04463	2.8
123.08080	6.1
123.11711	31.7
125.08787	2.6
125.09643	9.6
125.13245	7.4
128.54370	2.4
129.07027	5.8
131.08577	5.8
133.10120	19.9
135.11703	19.2
137.09650	5.0
137.13255	13.5
139.11179	4.7
143.08569	7.0
143.10733	2.7
145.10139	9.3
147.08063	3.7
147.11708	19.4
149.02348	12.3
149.13277	9.9
151.11191	7.8
151.14864	6.9
153.12788	7.2
155.08591	3.9
157.10144	8.9
159.11694	9.4
161.09692	3.1
161.13235	17.3
163.14828	7.8
165.12758	7.9
165.16466	5.0
167.14322	4.5
169.10129	5.4
171.11777	2.8
173.13310	3.0
175.11388	3.1
175.14873	13.4
179.14293	5.4
181.15907	3.4
183.11678	4.0
185.09662	3.0
185.13196	4.2
189.16457	9.9
191.17979	2.9
193.04980	3.9
193.15877	4.4
195.11717	3.7
199.14896	5.7
203.14221	2.6
203.18004	6.3
205.19519	9.2
207.21144	5.3
211.14897	2.8
217.19600	3.6
221.13306	3.0
221.19153	3.2
225.12862	2.8
235.16881	3.1
245.15547	5.2
245.22670	40.3
263.16418	7.4
263.20523	4.7
263.23700	38.8
266.99756	2.4
281.10361	5.4
281.18835	18.9
281.24893	4.4
283.02924	2.8
299.06186	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	281.2113
Annotation	12(S)-HHT
Peak:m/z	Relative Intensity
53.03937	2.5
55.01858	3.0
55.05514	24.5
57.03426	5.3
57.07069	3.8
59.04998	3.7
65.03948	1.5
67.05138	1.4
67.05508	42.0
69.03444	7.5
69.07070	42.1
70.91418	1.3
71.04991	19.8
71.48869	1.7
72.77002	1.2
73.02905	2.9
79.05062	2.3
79.05497	25.9
81.07059	61.9
83.04976	5.0
83.08611	7.7
85.06547	81.9
86.06906	1.6
87.04469	7.6
87.08121	1.5
91.05482	25.5
93.07051	49.5
93.07644	2.8
95.04951	4.5
95.08611	95.5
97.06526	11.1
97.10159	7.6
99.08099	22.1
101.06053	1.3
105.07031	38.8
107.07880	2.7
107.08603	51.5
109.06519	7.1
109.10160	48.0
111.08094	11.4
113.09662	6.9
115.05524	1.7
117.07020	6.5
119.08592	37.4
121.06527	3.0
121.10149	41.5
123.08064	12.2
123.11736	14.5
125.09636	34.7
127.07590	5.1
128.06256	1.5
129.07004	2.5
131.08572	15.1
133.10138	27.0
135.08060	4.8
135.11705	13.5
137.09625	26.4
137.13258	2.2
139.11198	13.9
141.09125	3.3
142.07796	2.8
143.08574	9.2
143.10716	2.9
145.10127	21.2
147.11693	21.6
149.09607	8.1
149.13254	6.1
151.11194	14.8
153.09019	1.5
155.10693	7.8
156.09373	4.0
157.10138	14.5
158.10963	2.0
159.11690	18.7
161.09610	3.1
161.13287	16.2
163.11206	7.9
163.14906	1.8
165.12759	5.1
167.10684	3.3
169.10091	2.5
170.10953	3.1
171.11697	12.8
173.13237	8.3
175.11220	3.7
175.14825	7.5
177.12769	16.7
177.16353	2.9
179.14352	5.7
181.12245	3.5
183.11673	1.5
185.13234	13.2
187.14801	11.1
189.12772	6.7
189.16423	4.5
191.14342	2.1
191.17986	1.8
193.12212	1.6
195.13832	12.7
197.13255	1.6
198.14166	1.4
199.14848	5.0
201.16422	15.6
203.14352	3.5
203.18034	6.6
205.15842	4.7
207.13834	1.5
215.18030	2.1
217.15862	3.5
217.19443	2.1
219.17476	5.4
221.15376	2.7
221.19089	2.0
227.17979	23.0
233.19046	5.3
245.19014	30.5
251.20128	3.4
263.20084	77.0
281.08044	1.5
281.21158	100.0
296.17038	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2112
Annotation	12(S)-HHT
Peak:m/z	Relative Intensity
53.03931	4.7
54.47926	2.1
55.05510	19.5
57.03438	3.1
57.07086	5.6
61.12179	2.5
65.03917	2.7
67.05199	3.3
67.05515	47.7
69.03428	5.5
69.07074	27.9
69.14286	2.2
71.05002	25.2
74.63598	2.2
79.05497	35.8
81.06599	4.4
81.07061	81.0
83.04971	6.9
83.08623	10.5
85.02920	3.0
85.06550	78.7
87.04465	6.7
91.05480	22.4
92.67184	2.2
93.06495	4.7
93.07052	77.8
95.04969	7.4
95.08614	99.9
97.06531	20.8
97.10217	2.6
99.08095	13.3
105.07031	48.2
107.08603	59.0
109.06514	9.3
109.10164	54.7
111.08089	19.0
113.09629	8.5
115.05432	4.3
117.07018	5.0
119.08583	52.8
121.06477	3.1
121.09352	2.9
121.10155	39.7
123.08076	19.4
123.11721	20.4
123.24864	2.5
125.09653	16.6
127.11192	21.2
129.06964	4.2
130.07805	3.6
131.08572	18.6
133.10150	40.8
135.08066	8.8
135.11699	36.1
137.09621	23.5
137.13290	3.4
139.11160	11.7
142.07808	3.7
143.08575	13.2
145.10147	33.1
147.04385	2.3
147.08244	2.3
147.11717	20.9
149.09641	8.8
149.13275	9.6
151.11195	7.1
155.10658	4.1
156.09369	5.4
157.10159	16.3
159.11707	30.1
161.13269	29.5
163.11195	7.6
163.14752	3.5
165.12759	3.5
171.11693	18.6
173.13243	8.1
175.11203	4.4
175.14850	10.2
177.05385	2.5
177.12801	3.2
179.14317	22.0
185.13214	13.9
187.14885	11.7
189.12767	2.9
191.14258	2.7
199.14824	6.9
201.16429	17.8
203.14330	3.6
203.17987	8.7
205.15863	7.3
217.19693	5.1
221.09621	2.8
227.17943	25.0
233.19069	4.0
238.10107	2.4
245.19011	28.4
263.20120	33.9
281.11563	6.3
281.21149	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2111
Annotation	12(S)-HHT
Peak:m/z	Relative Intensity
55.05523	26.1
57.03430	4.3
65.82566	4.3
66.30047	4.5
67.05510	45.9
67.16364	4.2
69.03428	7.0
69.07066	24.6
69.68517	7.0
69.68931	16.0
71.04982	15.9
79.05485	35.2
81.03389	5.5
81.06596	6.7
81.07058	93.7
83.04974	4.5
83.08624	12.2
85.06070	6.8
85.06542	55.1
87.04462	15.5
90.00394	3.8
91.05480	28.9
93.07042	63.6
95.04951	5.6
95.08611	89.4
97.06521	17.4
97.10160	6.0
99.08095	11.0
105.07052	55.9
107.08598	57.7
109.06507	8.6
109.10166	49.5
111.08084	13.8
113.09640	9.1
117.06997	6.2
119.08573	49.3
121.10147	32.1
123.08063	7.7
123.11697	18.9
125.09652	19.5
127.11224	4.7
129.07002	4.2
131.08559	17.9
133.10156	25.6
135.08058	9.3
135.11664	22.5
137.09547	10.8
139.11183	4.8
141.09154	5.7
143.08582	16.1
145.10139	44.2
147.11702	38.7
149.09589	8.0
149.13231	9.8
151.11221	5.2
153.09096	6.5
157.10124	12.7
159.11659	35.7
161.09628	6.6
161.13252	13.0
163.11147	7.1
165.12744	5.6
167.10635	4.8
171.11700	17.1
173.13234	9.0
175.14864	7.9
185.13245	25.0
187.14815	13.7
189.12727	4.6
199.14844	7.2
201.16403	17.7
203.18008	4.6
205.15926	4.5
215.17975	9.9
227.17957	27.6
232.03540	3.7
233.19060	6.4
245.19022	38.5
263.20139	17.7
281.18311	6.9
281.21143	100.0
282.21613	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	281.2112
Annotation	12(S)-HHT
Peak:m/z	Relative Intensity
53.03947	2.8
55.01881	2.9
55.05513	19.7
55.67477	1.4
57.03426	5.0
57.07069	4.9
61.67392	1.1
62.58591	1.1
65.03940	2.7
67.05508	47.7
69.03447	7.9
69.06734	2.2
69.07076	23.4
69.87244	6.7
71.05000	13.7
79.05499	31.1
81.03415	3.3
81.07060	89.6
83.04975	3.2
83.08627	8.8
85.06549	59.2
87.04475	23.1
91.05488	27.4
93.07055	54.7
95.04964	2.8
95.08614	91.9
97.06528	7.5
97.10175	5.5
98.21468	1.5
99.08105	8.4
103.05515	1.9
105.07039	37.2
107.04966	2.2
107.08600	55.6
109.06524	4.6
109.10164	47.0
109.10775	1.0
109.10922	1.7
111.08083	8.8
113.09647	4.4
117.07034	8.9
119.08586	34.9
121.06511	3.1
121.10154	27.3
123.08080	12.8
123.11725	17.7
125.09627	11.8
127.11201	3.3
127.33681	1.2
129.06989	6.2
130.07791	1.5
131.08578	14.6
133.10139	26.5
135.08099	7.1
135.11702	14.9
137.09624	10.7
137.13287	1.9
139.07570	1.8
139.11208	3.6
141.06958	1.6
141.09120	7.2
142.07758	1.8
143.08583	9.2
143.10597	2.1
144.09265	1.5
145.10130	30.7
147.11690	22.0
149.09650	4.3
149.13245	4.7
151.11203	4.1
153.09108	7.4
155.08582	1.7
155.10690	5.8
156.09322	1.6
157.10124	12.1
159.11697	22.9
161.13258	11.0
163.11179	5.0
163.14890	2.1
165.12740	3.4
167.10674	2.3
170.10976	1.6
171.11708	15.0
173.13249	11.4
175.11171	1.9
175.14803	3.7
177.12778	3.0
177.16388	1.4
181.12202	2.0
185.13281	12.5
187.14877	6.2
189.12766	2.4
189.16402	7.4
199.14824	5.7
201.16388	12.3
203.14400	2.3
203.18036	4.3
215.18008	5.1
217.19528	4.0
219.17389	4.3
221.18990	2.3
227.17987	15.6
233.19005	6.4
235.20605	1.6
245.19041	17.1
251.20163	1.5
263.20062	12.1
281.21136	100.0
296.97391	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2113
Annotation	12(S)-HHT
Peak:m/z	Relative Intensity
51.24859	1.0
53.03930	2.7
55.01865	4.1
55.05271	1.8
55.05514	26.1
57.03447	5.6
57.07069	4.8
59.04995	3.9
63.77891	1.1
65.03935	2.9
67.05509	43.5
69.03435	6.7
69.07070	53.5
70.82696	2.1
71.04999	20.9
73.02917	5.0
77.61358	1.1
79.05015	1.4
79.05494	29.1
80.79173	1.2
81.03422	1.4
81.07059	58.8
83.05008	7.5
83.08610	9.2
83.54660	1.1
85.06547	96.1
87.04485	7.7
87.08068	1.7
89.70216	1.1
91.04912	1.5
91.05481	29.1
93.07047	53.4
95.04967	5.4
95.08609	100.0
97.06524	15.4
97.10173	6.9
99.08095	17.9
103.05454	1.5
105.07037	45.4
107.04993	1.5
107.08597	65.0
108.68630	1.2
109.06527	7.4
109.10164	46.8
111.08085	13.4
113.09634	8.7
115.05443	1.6
115.07570	1.4
117.07020	6.0
119.08582	45.7
121.06524	4.2
121.10151	44.8
123.08075	15.1
123.11712	12.4
125.09635	33.1
127.07567	4.6
127.11175	2.9
129.07021	5.1
130.07787	1.8
131.08572	19.6
133.10139	35.4
135.08058	4.8
135.11711	16.3
137.09624	28.1
137.13229	1.9
139.11197	15.9
139.52798	1.1
141.09149	2.6
142.07759	4.4
143.08589	9.8
143.10704	6.5
144.09380	2.2
145.10130	27.8
147.08069	2.4
147.11700	23.0
149.09583	7.3
149.13264	6.3
151.11179	14.1
155.08508	1.7
155.10696	8.6
156.09335	3.9
157.10133	12.6
157.12241	1.9
158.10783	1.4
159.11700	24.4
161.09572	2.7
161.13277	15.6
163.11201	12.8
163.14752	1.4
165.12718	7.7
167.10719	3.4
169.10223	1.3
169.12277	2.1
170.10962	2.6
171.11684	18.0
172.12334	1.2
173.13263	10.4
175.11230	4.6
175.14842	9.4
177.12755	24.2
177.16374	2.8
179.14314	8.3
181.12236	3.0
183.11671	2.1
185.13277	14.7
186.13913	1.4
187.14799	11.7
189.12805	6.7
189.16383	3.3
191.14270	3.3
193.12331	1.7
195.13826	15.9
197.13174	2.2
199.14836	8.3
201.16386	20.7
203.14351	4.7
203.17955	7.8
205.15891	5.1
207.13908	2.2
207.17427	1.7
212.15503	1.5
215.17976	2.3
217.15894	3.6
217.19664	1.6
219.17525	4.4
221.15448	1.6
221.18997	1.9
227.17934	28.5
233.19070	4.9
235.20461	1.4
245.19019	39.3
251.20094	5.1
263.20071	87.8
276.99142	1.2
281.21146	99.1
282.21466	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2111
Annotation	12(S)-HHT
Peak:m/z	Relative Intensity
53.03936	4.3
55.01874	2.2
55.05511	34.4
55.73126	1.8
56.96551	2.4
57.03432	5.2
57.07071	4.1
59.04982	4.8
66.06933	2.1
67.05505	39.8
69.03435	4.3
69.07071	27.7
69.43358	13.3
69.43771	4.7
71.04997	39.9
79.05489	19.5
81.06590	4.5
81.07053	65.2
83.04988	25.5
83.08617	9.6
85.06545	75.5
91.05488	15.7
93.07051	42.6
95.08614	89.7
97.06555	23.1
97.10172	4.8
99.04471	10.4
99.08071	14.1
101.06030	8.2
105.04559	2.6
105.07038	33.6
107.08598	45.8
109.06521	7.6
109.10164	49.1
111.08065	15.2
113.09636	9.5
117.07048	5.1
119.08582	33.3
121.06522	2.5
121.10144	32.7
123.08098	20.5
123.11705	14.3
125.09635	16.7
127.11197	15.4
129.06946	3.5
131.08568	13.6
133.10138	21.4
135.08054	8.2
135.11700	14.1
137.05966	3.4
137.09637	19.9
139.07520	9.3
139.11174	6.6
141.09073	2.6
143.08565	8.6
145.10120	25.3
147.04405	3.6
147.11700	16.1
149.09595	7.8
149.13249	6.3
151.11214	5.5
155.10672	8.6
156.09314	3.8
157.10097	13.4
159.11708	25.5
161.09581	3.8
161.13268	14.5
163.11192	4.8
163.14835	3.4
165.12769	4.0
171.11674	16.8
173.13187	11.2
175.11168	4.2
175.14818	8.8
177.12801	2.4
181.15845	2.6
185.13280	14.5
187.14861	13.8
189.12810	4.5
191.14340	3.9
199.14818	5.2
201.16409	12.4
203.14391	3.6
203.17960	6.4
205.15886	3.7
217.15916	2.5
219.17357	3.3
227.17949	25.8
233.19000	3.4
244.94089	2.1
245.19051	26.1
250.65546	2.1
253.12476	3.4
263.20020	21.8
275.16882	2.2
281.11517	5.1
281.21127	100.0
295.04877	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	281.2111
Annotation	12(S)-HHT
Peak:m/z	Relative Intensity
53.03945	3.1
55.05510	35.7
57.03426	5.0
57.07065	3.4
57.23726	1.9
59.04997	5.0
65.03946	2.1
67.05503	37.2
69.03426	3.0
69.07072	24.5
69.46735	13.3
71.04991	33.8
74.95558	1.8
78.64886	1.8
79.05495	19.0
81.07058	63.7
81.57145	1.6
83.04974	22.2
83.08582	9.1
85.06544	79.9
91.05470	17.4
93.07040	43.6
93.38557	1.7
95.04958	1.8
95.08609	93.7
97.06538	20.8
97.10154	3.3
98.20719	1.6
99.04459	9.8
99.08090	15.3
101.06017	7.7
105.07034	32.4
107.08592	49.9
107.09313	3.2
109.06509	5.8
109.10162	53.2
111.08071	11.5
113.06069	2.2
113.09650	7.2
117.07021	4.3
119.08586	38.7
121.10143	33.9
123.08076	20.8
123.11720	16.8
125.09632	17.5
127.11198	20.2
129.06967	4.6
130.07756	2.6
131.08569	15.9
132.80435	2.3
133.10124	21.1
135.08031	7.8
135.11699	12.6
137.06001	2.8
137.09615	22.1
137.13344	2.4
139.07538	11.2
139.11176	8.0
141.09064	3.7
142.07806	2.7
143.08522	8.4
145.10136	31.0
147.11691	20.9
149.09602	6.0
149.13242	5.5
151.11179	3.5
153.12851	2.3
155.10681	7.3
156.09297	3.0
157.10129	13.5
159.11693	26.5
161.09628	2.3
161.13275	15.0
161.35005	1.9
163.11157	5.8
163.14815	3.3
165.12802	3.3
171.11693	13.4
173.13235	10.6
175.11273	3.0
175.14786	5.6
177.12691	2.8
177.16440	2.4
181.15932	3.3
185.13281	13.5
187.14821	10.6
199.14723	4.1
201.16403	15.3
203.14314	4.4
203.17989	6.6
205.15891	5.3
217.15930	2.5
219.17412	4.8
227.17943	25.1
233.19154	2.3
233.57834	1.8
245.19020	23.5
263.20074	17.1
281.18774	4.8
281.21124	100.0
282.21512	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	5.2
55.01869	13.3
55.05522	25.5
57.03444	14.6
57.07066	7.6
65.03952	3.9
67.05509	55.0
68.05844	2.8
69.03430	12.2
69.07073	43.3
71.05008	28.8
71.49548	4.1
73.02927	4.2
79.05495	44.8
81.03423	7.7
81.07067	100.0
83.04987	12.7
83.08633	9.7
85.02904	18.0
85.06553	42.0
85.10215	4.1
87.04478	15.0
89.85944	3.0
91.05485	48.8
93.07049	52.2
95.04971	10.4
95.08617	82.9
97.02861	4.8
97.06535	16.8
99.08104	19.1
105.07040	53.0
107.04964	13.1
107.08587	40.8
109.06496	15.1
109.10164	33.4
111.04459	5.0
111.08096	10.2
113.06007	3.1
113.09621	15.1
115.03948	9.7
117.07034	23.4
119.08591	46.1
121.06531	14.0
121.10159	25.7
123.04449	3.9
123.08088	22.6
123.11728	22.6
125.02397	5.9
125.05993	6.2
125.09657	11.1
127.07538	6.4
128.06256	6.7
129.07028	22.7
131.08553	36.2
133.06500	8.5
133.10150	38.9
135.08066	11.2
135.11705	19.8
137.06026	8.7
137.09634	12.8
137.13297	5.8
139.07544	5.9
139.11200	7.1
141.07034	4.1
142.07793	5.7
143.08563	26.7
145.10118	27.5
147.08064	12.8
147.11708	29.8
149.09668	9.8
149.13303	12.0
151.07588	7.9
151.11188	12.2
155.08620	4.2
157.10144	19.9
159.08095	5.3
159.11694	18.8
161.09657	14.5
161.11646	4.4
161.13286	14.3
163.11200	9.8
165.09068	5.3
165.12753	13.4
167.10632	3.8
171.11736	17.0
173.09622	6.8
173.13290	9.7
175.07611	3.7
175.11203	9.9
175.14827	6.4
177.09129	3.6
177.12793	3.3
178.09778	2.8
179.14278	8.0
183.11667	7.0
185.09785	3.8
185.13275	19.2
187.11217	3.4
187.14890	6.9
189.09142	4.5
189.12740	8.1
189.16406	4.2
191.10646	7.5
191.14362	11.9
191.64597	3.1
199.14859	9.8
201.12724	4.7
201.16458	10.9
203.14378	11.1
203.17970	5.1
209.13536	4.0
209.15283	14.5
217.12221	4.9
217.15871	11.4
221.15425	8.2
227.14336	7.3
227.17966	19.6
235.17001	4.1
245.15472	24.6
245.19002	28.7
263.16724	26.0
263.20117	38.9
281.08032	4.2
281.11380	5.4
281.14044	4.8
281.18466	5.4
281.21484	18.9
283.03036	5.9
299.06183	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23656	3.1
50.79555	3.9
53.03930	4.4
54.33857	3.3
55.01875	15.8
55.05509	24.6
57.03427	11.4
57.07060	5.1
65.03930	5.6
67.05508	55.1
69.07072	36.4
69.82743	8.1
69.83128	8.1
71.04993	20.5
79.05494	42.0
81.03427	5.4
81.07066	100.0
83.04977	11.2
83.08629	6.1
85.02911	13.5
85.06552	32.2
87.04461	11.1
90.98340	3.8
91.05482	52.1
93.07046	39.4
95.04971	10.5
95.08611	57.7
97.06534	20.9
97.10168	4.8
98.21516	4.9
98.97599	4.8
99.04445	4.4
99.08102	24.3
105.03368	4.3
105.04527	3.6
105.07035	58.4
107.04942	9.6
107.08593	30.9
109.06504	16.6
109.10168	22.1
111.04470	4.3
111.08076	12.1
113.09646	6.7
114.15761	3.2
115.05485	3.3
117.07023	15.6
119.04972	3.1
119.08584	36.5
121.06504	6.1
121.10149	20.3
123.08089	28.4
123.11692	16.9
125.02359	4.1
125.09634	13.4
127.07575	4.5
128.06201	4.1
129.07037	21.4
131.08572	28.0
133.06477	10.7
133.10162	30.2
135.08084	14.3
135.11690	12.0
137.05972	9.2
137.09648	13.1
137.13274	4.7
143.08597	18.6
144.37825	3.8
145.10121	26.5
147.08043	9.4
147.11707	23.7
149.02371	6.3
149.05974	3.9
149.09604	8.9
149.13280	8.4
151.07562	17.7
151.11159	5.7
157.10170	17.2
159.11656	7.0
161.09656	12.6
161.13260	10.1
163.11238	5.9
164.99977	3.6
165.12761	7.4
169.10298	5.1
171.11679	15.6
172.12312	3.7
173.13318	6.3
175.11166	9.0
175.14874	7.4
183.11673	10.7
185.13278	28.4
187.14738	7.5
189.09163	6.3
189.12744	9.5
191.10687	5.2
199.14799	6.2
203.14290	14.3
203.17969	7.4
209.13121	5.8
217.15862	10.4
221.09662	3.3
221.15364	5.9
225.08951	3.3
227.14365	5.8
227.17949	27.6
233.18970	6.3
245.15352	24.5
245.19049	22.9
253.12292	7.0
263.16608	17.6
263.20081	27.0
281.08032	6.6
281.11572	10.6
281.18149	6.0
281.21219	14.6
283.02908	4.4
299.06076	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	281.1747
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
51.99026	1.2
53.03952	9.2
55.01877	3.9
55.05513	31.2
57.03192	2.1
57.03441	23.1
57.07059	2.6
62.52252	1.3
65.03934	4.5
67.05506	78.1
67.48583	1.3
69.03426	4.1
69.07069	17.3
69.37813	5.3
69.38245	5.6
71.04986	3.8
73.06555	3.9
79.05496	100.0
81.03436	14.9
81.07057	70.7
83.04981	31.6
83.08611	9.8
83.23463	1.3
85.06524	3.4
86.02297	1.5
91.05483	75.7
93.07045	67.6
95.04969	27.6
95.08614	42.4
97.02925	1.4
97.06533	9.0
97.10178	6.2
105.04559	3.4
105.07034	56.8
107.04974	8.9
107.08610	23.2
107.09354	2.2
107.43805	1.4
109.06537	8.3
109.10158	12.6
111.08100	4.6
115.05428	1.5
117.07020	12.1
119.08589	32.8
121.06520	4.5
121.10143	7.1
123.08073	11.1
125.09626	1.6
128.06206	3.1
129.07007	19.2
131.08575	4.5
133.06499	1.7
133.10121	17.3
133.58018	1.4
135.08067	3.0
135.11714	4.2
142.07744	1.5
143.08540	10.5
145.10141	12.0
147.08060	3.7
147.11691	40.6
156.09370	1.5
157.10146	2.0
159.11720	2.7
161.09628	5.2
161.13249	19.4
169.10063	1.6
171.11681	33.7
175.11247	1.8
177.12733	1.6
185.09563	1.6
189.12772	10.2
199.14839	2.6
207.04025	1.7
207.13802	13.9
263.20132	2.2
272.13306	2.3
281.04810	1.6
281.17358	37.4
281.22107	1.8
299.06165	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	0.7
70.63754	0.5
73.04734	0.3
74.06086	1.8
74.30675	0.2
85.02922	0.2
91.05432	0.3
94.04051	0.5
98.97614	0.3
102.05556	1.0
108.08921	0.2
109.05120	0.3
119.03552	5.3
119.04866	0.3
120.06586	5.8
120.08007	0.2
123.08011	0.2
124.56953	0.2
134.56342	0.2
136.06190	100.0
137.04596	2.1
137.06650	0.4
145.02795	0.2
147.04472	0.3
147.09167	0.5
150.02724	0.2
162.04118	54.5
163.04527	0.3
177.07910	0.3
178.66934	0.2
189.09149	0.3
202.08163	0.4
203.60477	0.2
205.10530	0.4
206.11781	0.6
218.25546	0.2
231.12027	0.4
235.07619	0.2
266.99942	0.4
281.04596	0.5
281.09967	9.0
281.15045	1.2
283.03210	0.3
299.06201	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.1544
Annotation	Caulophyllumine A
Peak:m/z	Relative Intensity
55.01864	1.2
57.03444	0.6
61.02929	10.0
64.63170	0.6
70.06577	1.3
70.14647	2.3
79.05491	0.6
84.08138	5.3
87.04466	1.2
90.02215	0.5
91.05479	3.7
96.04472	0.8
98.14429	0.5
100.27950	0.6
103.05508	0.6
105.07033	3.5
107.04980	0.7
107.08578	0.8
115.05490	0.7
116.06165	0.6
117.07025	1.6
119.04901	0.7
119.08583	4.2
123.63821	0.5
128.06250	1.2
129.06998	8.9
131.04932	1.4
131.08551	4.3
132.05705	0.8
133.06499	1.1
136.07658	0.6
142.07773	2.4
143.08575	1.0
144.05728	0.7
145.06532	0.9
145.10103	1.2
146.09657	0.6
146.92889	0.5
147.04396	0.9
147.06976	0.6
147.08067	9.3
149.05991	1.3
149.09613	1.9
155.08488	1.1
157.06516	3.8
157.10143	2.1
159.08058	4.7
160.05139	3.4
160.11180	0.6
161.05977	4.1
161.09689	0.7
165.08954	0.6
167.08476	0.7
170.07336	0.7
173.09602	1.4
174.06766	1.6
174.12723	3.4
175.07558	16.6
177.09113	6.3
179.07098	0.6
185.05937	0.8
185.09663	3.4
187.07567	1.2
189.09201	2.5
191.07086	0.7
191.10664	2.9
194.91258	0.5
201.09277	1.1
202.12309	2.9
203.07005	3.6
203.10612	4.0
205.08611	3.1
213.09082	1.2
219.10170	3.2
230.09576	0.7
230.11710	3.9
231.10114	1.4
244.13275	1.4
248.12825	2.4
248.43948	0.5
262.14355	5.4
263.12830	1.3
268.72296	0.6
275.26883	0.6
280.15442	100.0
281.15744	1.7
296.60150	0.5
301.11255	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.1543
Annotation	Metalaxyl
Peak:m/z	Relative Intensity
55.01865	0.9
61.02649	0.9
61.02929	9.7
65.03942	0.6
66.57981	0.5
69.97132	2.6
82.90849	0.5
84.08147	6.4
87.04449	1.2
88.89307	0.5
91.05471	3.2
93.07071	1.0
96.04509	0.6
97.29893	0.5
98.20850	0.8
103.05464	0.6
105.07024	5.1
107.04954	1.0
107.08576	0.7
115.05464	1.0
117.07014	1.8
119.04922	0.9
119.08584	5.2
120.08067	1.1
121.27657	0.5
123.04491	0.8
128.06227	1.3
129.07004	9.1
129.12888	0.6
131.04921	1.2
131.08553	3.4
132.05725	1.3
133.06526	1.5
135.08028	0.6
136.07596	1.0
142.07779	2.4
145.06493	0.7
145.10051	1.2
147.04370	1.8
147.08052	9.8
149.05991	1.3
149.09555	1.4
150.05548	0.7
155.08514	0.6
157.06488	4.7
157.10110	2.4
159.08054	4.8
160.05208	3.2
161.05994	5.0
161.09575	0.8
162.06686	0.6
163.07512	0.6
165.09106	0.7
167.08522	1.5
173.09622	1.5
174.06821	1.1
174.12764	2.2
175.07570	16.6
177.09108	4.3
179.07065	0.9
185.05902	0.8
185.09642	2.9
187.07524	1.9
187.11188	1.1
189.09132	1.6
191.07088	0.6
191.10713	3.5
195.08000	0.8
201.05479	0.7
201.07515	0.6
201.09198	1.4
202.12224	2.7
203.06941	3.5
203.10704	3.3
205.08626	1.8
212.10686	0.7
213.09140	1.0
216.07828	1.6
216.13904	0.8
217.08539	0.7
217.12265	0.5
219.10181	2.7
230.09569	0.9
230.11668	3.0
231.10161	0.8
235.09990	0.7
244.13321	2.1
245.11771	1.3
248.12839	8.2
262.14395	5.3
280.15436	100.0
281.15863	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.1546
Annotation	Metalaxyl
Peak:m/z	Relative Intensity
55.01864	1.9
56.96564	0.5
57.03423	1.8
59.05005	0.6
61.02621	0.7
61.02931	11.0
66.05254	0.4
69.03444	2.9
71.04974	0.7
71.08976	0.5
71.09321	0.6
73.02937	2.1
79.05472	0.6
81.03433	0.9
84.08150	5.5
85.02916	6.3
87.04472	1.5
91.05484	4.0
94.93025	2.2
97.02892	3.0
98.97591	7.4
99.04418	0.4
99.97930	0.6
101.00851	0.9
103.05418	0.4
105.07029	5.0
107.08610	0.4
110.01241	0.6
110.97564	1.3
115.05437	1.0
116.06216	0.4
116.98590	1.2
117.07020	1.9
119.01848	1.6
119.04934	0.6
119.08601	3.7
121.06494	0.5
127.03926	2.6
128.06227	2.0
128.98622	0.8
129.07018	8.1
131.01822	0.7
131.04935	1.4
131.08565	3.6
132.05733	1.0
133.06459	0.9
137.05954	0.7
141.07021	0.7
142.07797	1.3
143.01849	0.6
143.08572	0.7
144.05702	0.8
145.04991	1.2
145.06508	1.0
145.10130	1.5
147.04407	1.2
147.08052	9.0
147.09106	0.8
149.05992	1.3
149.09621	2.1
150.05534	0.5
152.02328	1.2
155.02876	0.7
155.08572	1.1
157.03468	0.8
157.06497	4.3
157.10107	2.4
158.99648	2.5
159.08090	4.5
160.00031	0.5
160.05203	3.2
161.02834	1.0
161.05988	4.4
161.09654	0.6
162.06772	0.6
163.11176	0.6
165.09200	0.9
167.08527	0.8
170.03366	0.7
170.07306	1.2
170.99638	1.5
173.08316	0.5
173.09622	1.2
174.06796	1.2
174.12794	2.3
175.07568	16.8
176.08298	0.4
177.00722	1.0
177.05443	0.7
177.09134	5.3
178.01128	0.8
179.07065	0.7
182.03384	1.2
184.05115	0.4
184.11256	0.5
185.02946	0.5
185.06021	0.6
185.09612	2.8
187.07529	1.4
187.11218	0.5
188.08446	0.5
189.00746	1.0
189.09212	2.2
190.05873	1.5
191.03917	4.6
191.07047	0.5
191.10646	2.8
194.11708	0.5
195.06145	0.8
195.07990	0.7
199.06357	0.6
200.04433	2.8
201.09343	0.8
202.06326	0.6
202.12251	3.1
203.07025	3.7
203.10663	3.7
205.08626	2.0
207.10146	0.5
213.09126	1.5
216.07819	1.2
216.13696	0.6
219.01791	1.1
219.10222	3.1
221.48613	0.4
230.11774	4.0
231.10178	1.1
233.11659	0.5
235.06522	0.9
235.09647	0.8
244.13356	1.6
245.05246	0.5
245.11795	1.1
248.12862	5.9
262.14450	5.8
263.12787	0.8
275.06100	0.5
276.06168	0.8
277.07751	3.9
280.15451	100.0
281.15744	1.3
289.07608	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2321
Annotation	Hedaol B
Peak:m/z	Relative Intensity
53.03946	4.4
55.01870	2.2
55.05518	23.0
56.17026	1.5
57.03440	3.7
57.06875	1.2
57.07080	12.9
59.04997	2.9
64.84888	1.4
65.03963	2.8
67.05513	41.7
69.03437	2.8
69.06696	1.4
69.07073	27.5
69.73907	1.5
70.06019	5.3
71.05009	11.5
71.08627	1.9
73.10956	1.5
73.28822	1.5
79.05500	25.5
81.07064	97.5
82.30289	1.6
83.04995	3.9
83.08616	10.3
85.06554	4.6
91.05492	12.3
93.07049	58.8
95.04966	1.5
95.08616	100.0
97.06550	16.6
97.10183	19.5
99.08069	4.0
105.07034	16.9
107.08603	50.2
109.06532	2.3
109.10170	50.0
111.08083	22.0
111.11717	4.6
113.09640	5.2
117.06984	1.9
119.08574	16.3
121.02912	4.0
121.10158	66.3
123.08062	2.9
123.11723	38.5
125.09642	26.5
131.08563	4.6
133.10126	15.0
135.11707	40.8
135.12726	2.2
137.09612	3.6
137.13249	5.6
139.11183	5.3
145.10110	7.3
147.04414	6.5
147.11725	15.6
149.02353	73.4
149.09662	1.7
149.13264	14.7
150.02837	1.7
151.11176	7.4
153.12772	7.1
155.08528	2.8
157.10042	1.7
159.11700	7.6
161.13281	14.0
163.14839	26.6
165.07002	1.4
165.12837	3.4
173.13301	8.4
177.12715	2.6
179.14360	2.4
181.15926	2.5
186.79303	1.9
187.14799	5.9
191.14247	1.8
191.18001	1.6
197.09558	2.0
201.12721	2.0
201.16379	1.9
203.17957	7.6
205.16017	1.9
212.32777	1.5
215.18007	2.0
223.17004	1.7
243.21118	21.0
261.22144	19.1
278.81775	1.8
279.13611	7.8
279.23236	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	279.2321
Annotation	Hedaol B
Peak:m/z	Relative Intensity
53.03934	3.9
55.05516	25.3
57.03427	3.3
57.07084	14.5
59.04976	2.8
65.03926	3.2
67.05508	37.4
69.03423	3.0
69.07070	32.8
70.31057	1.3
70.52962	1.3
70.55807	2.6
71.05003	14.2
79.05495	29.5
81.07060	100.0
83.04993	3.1
83.08618	13.5
85.06525	6.0
91.05479	14.0
93.07050	58.9
95.04963	4.5
95.08614	96.8
97.06532	19.2
97.10169	16.4
98.21375	1.7
98.97588	3.6
99.08126	3.4
105.07051	18.2
107.08597	54.5
109.06499	3.8
109.10165	52.3
111.07507	1.5
111.08104	19.1
111.11720	4.1
113.09672	7.0
119.08598	15.9
121.02897	4.1
121.10150	72.8
123.08032	3.6
123.11716	43.1
125.08763	2.3
125.09644	26.8
127.11213	1.7
129.09106	2.5
131.08565	4.7
133.10156	12.2
135.11697	39.7
137.09631	3.6
137.13252	5.4
139.11150	5.3
145.10112	6.2
146.68118	1.5
147.04382	5.0
147.11691	16.6
149.02353	76.1
149.13261	16.6
151.11162	7.3
153.12729	6.5
155.08633	1.8
159.11646	6.9
161.13283	13.8
163.14835	26.8
165.12778	3.3
173.13290	8.7
177.16389	2.2
179.14302	4.9
187.14816	7.7
201.16370	2.7
203.17935	6.8
209.19209	1.6
213.07512	1.5
215.18015	2.1
243.17282	1.9
243.21101	18.8
261.22128	18.0
279.13745	9.2
279.23221	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	279.232
Annotation	Hedaol B
Peak:m/z	Relative Intensity
53.03944	3.5
53.32060	1.0
55.01864	2.2
55.05510	30.6
57.03425	3.7
57.06834	1.3
57.07077	16.3
59.04992	1.7
65.03914	1.5
67.05505	38.2
69.03408	2.8
69.07066	38.8
69.98396	2.5
69.98792	4.2
70.25084	1.0
71.04993	8.2
71.08619	1.6
73.14827	1.0
79.05489	22.8
80.04076	1.1
81.07054	100.0
83.04966	2.4
83.08615	15.2
85.06530	4.3
91.05479	9.8
93.07042	47.7
95.04968	2.6
95.08605	87.0
97.06544	11.3
97.10163	17.2
99.04463	1.3
99.08084	4.1
105.07024	14.0
107.08594	39.4
109.06551	2.2
109.10152	55.5
111.04488	1.1
111.08089	8.6
111.11702	3.9
112.47552	1.1
113.09644	4.0
117.07006	1.7
119.08575	14.2
121.02850	3.6
121.10140	63.4
123.08056	2.9
123.11703	50.0
123.12605	2.7
125.09621	13.1
127.07549	1.5
127.11182	1.5
131.08556	3.3
133.10130	11.7
135.08044	1.6
135.11691	26.5
137.09607	1.8
137.13271	11.4
139.11169	4.3
145.06389	1.2
145.10101	4.9
147.04459	2.5
147.08167	1.2
147.11670	12.3
149.02342	51.9
149.09575	1.7
149.13255	12.9
151.11253	5.2
151.14827	4.9
153.12794	5.1
154.68814	1.1
159.11705	5.9
161.13264	7.6
163.11229	3.3
163.14821	10.4
165.12717	3.0
165.16368	1.5
169.12234	1.7
173.13301	5.6
175.14893	1.3
177.12773	2.3
177.16399	2.5
179.14262	2.9
187.14810	5.0
191.14297	2.1
195.13788	1.6
201.16319	3.1
203.17975	5.4
205.15910	1.8
215.14307	1.8
223.16879	2.2
233.22601	3.4
243.17436	1.9
243.21101	13.3
251.23683	5.1
261.18433	1.8
261.22153	13.2
279.13736	1.9
279.23193	61.0
280.54269	1.1
292.39853	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.232
Annotation	Hedaol B
Peak:m/z	Relative Intensity
53.03942	3.1
55.01866	2.7
55.05513	26.8
57.03426	4.6
57.07079	14.1
61.49344	1.5
65.03922	1.7
66.55167	1.2
67.05508	41.4
69.03423	3.3
69.07071	36.0
69.21439	11.0
71.05013	9.0
71.08645	1.3
74.76882	1.1
75.57890	1.0
79.05498	24.4
80.54630	1.2
81.07061	100.0
83.04980	4.5
83.08620	12.7
85.06541	4.8
91.05490	9.2
93.07047	47.7
95.04995	2.5
95.08612	83.2
97.06528	6.8
97.10169	17.2
98.21515	2.4
98.97595	1.7
99.08084	2.2
100.94232	1.2
105.07041	11.8
107.08606	35.1
109.06541	1.8
109.10165	57.3
111.08091	8.4
111.11732	3.6
113.09654	2.2
117.06981	1.5
119.08587	11.6
121.02912	3.0
121.10152	65.1
123.08105	2.5
123.10832	2.7
123.11713	50.8
125.09667	9.7
129.09163	1.8
131.08572	4.4
133.10161	9.2
135.04390	1.3
135.11699	23.6
137.00879	1.2
137.09654	4.0
137.13266	13.4
139.11197	5.3
141.09116	1.8
143.08528	1.7
145.10088	6.4
147.04448	2.0
147.11717	11.8
149.02350	54.3
149.13258	12.7
150.02687	6.8
151.02870	8.9
151.11189	4.7
151.14809	4.6
153.12779	7.6
155.10619	1.4
159.11694	6.1
161.09653	1.5
161.13258	8.7
163.14856	8.9
165.12796	3.3
165.16360	2.0
167.14282	1.7
173.13252	7.5
175.14934	2.1
177.00882	1.3
177.12747	2.5
177.16391	2.2
179.14285	3.3
181.12402	1.3
183.11909	1.2
187.14899	7.3
195.13753	2.1
195.17349	1.5
201.16487	1.6
203.17953	6.3
205.15906	2.5
209.15297	1.9
219.13715	1.5
223.16977	3.1
233.22720	3.3
243.21117	16.4
251.23715	5.5
261.14758	1.9
261.22192	13.5
279.13721	8.7
279.23215	61.5
280.23718	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2319
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
50.04226	0.7
53.03951	1.5
55.05514	11.0
57.03444	1.3
57.07078	9.1
59.33060	0.7
65.03945	3.0
67.05506	95.5
68.05828	1.1
69.03407	0.9
69.07069	11.0
70.80305	0.7
71.05009	0.9
79.05499	15.9
81.03400	1.0
81.07057	100.0
83.04998	1.3
83.08624	6.0
85.06544	1.7
86.81418	0.7
89.28969	0.7
89.39545	0.8
91.05479	6.4
93.07055	15.2
94.06564	2.5
95.04971	1.0
95.08611	82.1
97.06532	2.5
97.10147	4.1
98.97588	1.1
99.08099	0.9
101.06085	1.0
105.07043	4.4
107.08592	11.0
109.06525	1.3
109.10159	43.8
111.04439	0.8
111.08075	1.4
111.11712	1.5
117.07019	2.6
119.05043	0.7
119.08568	4.9
121.02844	2.4
121.04990	0.7
121.10149	10.7
123.08086	2.6
123.11709	23.0
125.09606	1.9
127.07584	0.9
131.08595	5.5
133.10123	4.0
135.08034	1.7
135.11682	4.2
137.09612	1.5
137.13274	9.0
145.10118	4.1
147.04402	2.2
147.11739	3.4
149.02347	53.3
149.09610	1.6
149.13263	2.9
151.11172	1.4
151.14804	3.9
159.11714	2.8
161.13277	2.1
162.07588	0.7
163.11177	1.3
163.14832	2.2
165.12758	1.3
167.10782	1.0
173.13280	2.9
175.14935	1.0
177.12726	1.4
178.67509	0.7
179.14365	1.4
181.12215	1.7
187.14862	3.2
191.14334	1.7
195.13763	1.6
201.16495	1.0
205.15945	2.0
209.15361	3.3
219.05766	1.9
219.20990	0.8
223.12788	0.9
223.17001	3.8
237.18558	1.4
243.21056	3.3
261.22202	4.8
279.09351	2.7
279.20013	2.5
279.23196	37.8
302.02792	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1956
Annotation	9beta-Acetoxy-10(14)-aromadendren-4beta-ol
Peak:m/z	Relative Intensity
51.71935	2.2
53.03934	3.0
55.01878	4.4
55.05516	16.7
57.07084	18.0
57.24492	2.5
60.82548	2.7
62.72935	2.5
65.03959	2.8
67.05512	38.4
69.03433	6.8
69.07076	33.3
69.99229	12.8
71.04996	41.0
73.56340	2.2
79.05489	16.6
79.43732	2.4
81.07063	63.8
83.04971	2.3
83.08614	7.3
84.81632	2.5
85.06551	85.2
87.04469	5.8
91.05485	26.3
93.07051	49.6
95.04984	5.6
95.08617	75.4
97.06548	16.9
97.10180	4.1
98.97619	2.9
99.08105	4.3
105.07043	49.7
107.04972	5.9
107.08609	47.4
109.06536	11.9
109.10173	45.0
110.70050	2.5
111.08099	14.2
113.09657	32.3
117.07024	10.3
119.08589	49.7
121.02862	6.0
121.06517	7.9
121.10156	31.9
123.08072	11.1
123.11688	13.9
125.09641	25.9
129.06984	2.8
130.07715	2.7
131.08572	28.3
133.06540	3.3
133.10144	29.9
135.08069	23.6
135.11729	20.5
136.98294	2.8
137.09624	19.7
139.11195	7.3
143.08566	9.4
144.09322	7.8
145.10141	31.9
147.04424	4.3
147.07980	5.1
147.11708	19.6
149.01180	4.0
149.02370	72.4
149.09616	10.3
149.13251	7.8
151.11191	5.0
155.08572	6.5
155.10709	2.3
157.10155	18.1
159.11708	73.1
161.09651	6.4
161.13295	8.3
163.11137	6.0
164.25606	2.3
169.10219	2.8
171.11682	4.2
173.09634	3.6
173.13303	52.0
175.11139	4.2
175.14839	29.2
177.12718	7.0
177.16357	4.1
179.14313	2.6
179.25757	2.8
183.11726	15.9
185.13283	7.1
187.11197	7.2
187.14778	6.3
189.16441	7.3
191.10699	3.0
191.14368	2.8
197.13300	5.5
199.14848	15.2
201.12753	6.8
201.16425	28.2
203.14359	4.4
205.12340	4.8
213.16418	8.2
215.14377	4.6
215.17964	16.2
219.13974	4.4
219.17474	38.8
225.16370	13.5
231.17415	3.1
233.19089	13.4
237.18523	69.1
237.20790	5.2
243.17465	60.1
243.21227	3.6
261.18521	100.0
279.19574	37.7
279.23120	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60388	0.5
55.01874	0.6
57.07074	0.5
64.08544	0.5
64.11199	0.4
65.03918	0.6
66.07224	0.5
69.03424	1.7
70.14894	1.9
85.02916	0.9
87.57162	0.6
89.75313	0.5
91.05495	6.0
97.02889	2.9
97.27426	0.5
107.04993	1.6
115.03933	1.2
119.04954	20.5
147.04422	100.0
149.02354	4.6
183.12309	0.5
201.05478	7.7
206.70770	0.6
261.07587	7.0
279.08850	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.5
55.05497	0.3
57.03428	0.5
57.07093	1.7
60.56163	0.3
65.03928	0.6
67.05498	0.7
69.03412	1.2
69.07078	0.7
69.13985	3.4
71.04983	0.4
81.07055	1.1
85.02893	0.6
85.06546	0.8
91.05488	6.9
93.07070	0.7
95.04949	0.6
95.08622	0.8
96.64877	0.3
97.02897	3.8
97.60983	0.4
105.07027	1.1
107.04942	1.4
107.08596	0.5
109.06547	0.4
115.03954	1.2
119.04945	20.6
119.08566	0.7
121.02851	0.7
121.10047	0.4
123.04351	0.4
131.04922	0.5
131.08597	0.5
135.08150	0.3
135.74040	0.3
137.05948	0.4
145.06514	0.7
145.10208	0.4
147.04413	100.0
148.04741	0.6
149.02339	9.5
157.06506	0.7
159.04416	0.4
159.11681	0.5
173.05992	0.6
173.13248	0.4
177.12680	0.5
190.07828	0.4
191.08562	0.8
201.05467	7.4
218.07364	0.5
219.08076	1.4
236.08263	0.4
243.17638	0.3
247.07643	0.8
251.10698	1.0
261.07541	6.1
261.10049	0.4
261.18570	0.7
266.90128	0.4
279.10345	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	279.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52842	0.3
55.01875	0.5
56.19984	0.3
57.07069	0.9
65.03946	0.3
67.05509	0.4
69.03436	1.5
69.07056	0.5
70.37202	0.9
70.37556	0.3
71.04973	0.4
71.49082	0.3
85.02901	0.8
91.05480	6.6
93.07080	0.5
94.20406	0.3
95.04963	0.4
97.02892	4.3
97.06553	0.4
105.07035	0.3
107.04916	1.9
115.03960	1.4
117.06993	0.6
119.04945	19.7
119.98521	0.3
121.02893	0.7
128.06233	0.3
131.04895	0.7
145.06503	1.2
147.04416	100.0
148.04747	0.5
149.02344	5.0
157.06500	0.9
191.08557	0.5
201.05484	8.3
215.07152	0.4
219.08115	0.5
251.10681	0.7
261.07614	8.5
261.18546	0.3
279.08566	0.9
279.10510	0.6
279.19583	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.5
57.03405	0.4
57.07070	1.0
57.88935	0.3
65.03931	0.7
67.05520	0.5
69.03434	2.2
69.99903	0.8
81.04987	0.3
81.07048	0.3
81.43466	0.3
85.02897	0.7
91.04910	0.3
91.05482	5.8
92.40510	0.3
93.07057	0.3
94.79272	0.3
97.02904	4.6
105.07030	0.3
107.04950	1.6
115.03930	1.2
119.04945	20.9
121.02814	0.4
121.06562	0.3
128.06218	0.4
131.04893	0.4
136.02257	0.3
145.06505	0.8
147.04413	100.0
148.04739	0.7
149.02351	6.3
157.06497	0.5
159.04395	0.4
163.03946	0.8
164.04346	0.4
169.10213	0.3
171.08044	0.4
173.06033	0.7
175.07587	0.5
178.08430	0.3
184.69814	0.3
201.05484	7.3
261.07614	7.4
261.10434	0.4
279.08780	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.039
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96576	5.7
57.03434	0.5
66.24731	0.4
68.49796	0.5
69.03423	1.5
70.06591	0.5
70.42966	1.6
71.95239	0.8
73.02929	0.6
81.03426	0.8
85.02920	2.8
97.02898	1.7
98.05383	0.5
98.97592	100.0
99.97953	0.6
101.00906	1.4
103.00652	1.3
110.96955	0.3
110.97579	21.7
116.98631	24.9
119.01952	0.9
121.01685	0.8
127.03926	1.6
128.98615	11.9
134.99620	3.1
140.87894	0.5
143.01874	1.3
145.04930	0.7
146.99687	3.3
149.01321	0.5
149.02367	3.0
151.07486	0.6
154.72049	0.6
155.01967	0.6
158.99669	43.4
161.03029	1.0
169.03477	1.8
170.99669	10.1
173.02963	1.0
177.00732	30.2
182.99745	0.8
185.02896	0.7
189.00708	14.7
189.04974	0.6
195.01717	1.0
197.02945	0.6
198.05618	0.8
200.02501	0.5
201.00777	1.3
207.01750	5.3
215.04063	0.7
219.01776	5.0
237.02856	4.8
237.06435	1.1
255.04054	0.6
255.07060	0.5
274.04288	0.9
275.06223	3.1
276.06030	0.7
279.03964	2.7
279.07703	5.9
301.91150	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07079	9.4
60.08161	2.4
60.50327	0.6
61.04042	2.2
61.55742	0.7
67.05488	1.3
70.40936	2.3
79.05473	1.1
81.07056	0.7
84.72559	0.6
86.06070	18.2
87.51350	0.7
91.05486	0.7
92.05008	3.0
92.05623	0.6
93.07030	0.9
94.06572	100.0
95.04968	1.0
95.06953	0.8
103.08711	4.5
104.04293	0.8
120.04496	7.1
137.07095	1.3
142.12321	1.5
149.02405	2.1
170.04286	0.7
179.11806	21.1
205.09767	2.0
222.12383	26.7
230.74977	0.7
278.18683	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2163
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
53.03948	6.5
55.05274	1.5
55.05515	17.6
57.07067	2.7
66.53358	1.0
67.05507	30.2
67.44028	1.0
69.06741	1.2
69.07071	13.8
70.61136	3.8
71.05003	1.3
71.08609	1.2
77.03912	2.4
79.05494	77.2
81.07056	34.9
83.04966	1.6
83.08628	7.9
85.06540	2.2
91.05482	29.2
93.07049	100.0
95.04956	3.5
95.08613	23.4
97.06519	2.7
97.10147	3.1
105.04567	1.2
105.07038	15.3
107.07885	2.4
107.08600	48.2
109.06523	1.7
109.10155	12.3
114.83399	1.1
117.06995	3.0
119.08590	11.3
121.10149	44.4
123.11707	2.4
129.06995	1.5
131.08554	2.8
133.10136	13.9
135.08015	1.1
135.11697	50.5
139.41537	1.1
143.08554	2.9
145.10136	4.0
147.11734	6.4
149.09634	1.9
149.13269	23.8
151.11209	1.5
157.10167	2.0
159.11681	3.5
161.13225	3.7
163.11250	1.5
163.14806	7.2
171.11691	2.3
173.13283	2.1
175.11246	2.1
175.14789	2.5
181.12276	1.7
185.13342	2.1
189.12749	2.6
195.13771	2.2
199.14841	1.7
207.13763	1.8
213.16383	2.7
221.15398	4.0
231.17358	1.2
233.08183	1.3
235.16910	4.8
241.19626	1.5
259.20667	4.0
277.18512	3.0
277.21643	58.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2164
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
53.03948	5.8
53.95784	1.3
55.01860	1.1
55.05273	1.7
55.05513	19.8
57.07072	3.0
65.03361	1.2
65.03947	1.7
67.05506	36.2
69.06735	1.4
69.07076	14.4
71.04971	3.0
71.21909	2.1
73.46959	1.2
77.03927	1.3
79.05495	73.3
81.07058	37.1
83.05000	2.2
83.08624	8.0
85.06537	1.8
91.05486	24.2
93.07048	100.0
95.04959	5.5
95.08607	25.7
97.06532	2.4
97.10170	4.8
105.04530	2.5
105.07032	14.8
107.08598	50.8
109.06490	2.3
109.10164	13.9
111.08099	2.0
117.07017	2.9
119.08592	9.7
121.06507	1.4
121.10147	40.4
122.33582	1.2
123.08069	1.7
123.11726	3.9
129.06982	2.1
131.08571	4.9
133.10141	12.9
135.08060	1.9
135.11702	59.3
143.08571	1.8
145.10126	3.5
147.11664	6.5
149.09592	1.8
149.13258	25.1
157.10179	1.9
159.11739	3.5
161.13310	3.6
163.11240	1.7
163.14816	5.5
171.11774	1.4
173.13348	2.5
174.76389	1.2
175.14815	2.5
177.12610	1.4
181.12271	1.6
185.13290	2.0
189.12830	1.3
193.12276	1.8
199.14771	2.4
207.13849	2.5
213.16234	1.8
221.15381	2.3
233.08012	2.2
235.16937	5.6
241.19490	1.9
253.89632	1.2
259.20575	4.5
277.21652	64.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2164
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
53.03954	1.7
55.01871	2.8
55.05517	13.8
55.54023	0.6
57.03431	0.8
57.07080	18.7
60.75856	0.6
65.03937	1.9
67.02714	0.5
67.05511	13.8
69.07073	10.8
69.41917	4.8
70.06605	1.0
71.04994	1.9
71.08636	0.7
79.05498	16.7
81.07063	16.1
83.04980	2.4
83.08626	2.3
85.02920	0.6
85.06567	1.4
88.07594	0.7
88.40477	0.5
89.19820	0.6
91.05491	13.8
93.07051	23.3
95.04974	1.8
95.08620	9.7
97.06554	4.7
99.08074	0.8
101.06000	0.7
103.05453	0.7
105.07039	13.4
107.08594	10.4
107.41433	0.6
109.06552	1.5
109.10162	4.8
111.04416	1.0
113.61320	0.7
117.07006	3.0
119.08591	11.8
121.02874	5.7
121.03997	1.0
121.06518	1.9
121.10149	9.9
123.08106	1.1
123.11727	2.6
128.06203	0.9
129.07021	3.7
131.08594	4.3
133.06546	0.8
133.10147	13.2
135.08104	2.0
135.11700	4.3
137.09673	0.9
139.02930	1.1
139.03926	11.1
139.11218	1.8
143.08560	2.8
145.10136	2.7
147.08105	2.9
147.11699	10.6
149.02353	100.0
149.09647	1.4
149.13278	4.9
150.02675	0.9
151.03923	2.6
151.07573	1.0
153.09198	0.8
157.10168	2.5
159.11671	1.3
161.05945	3.4
161.09615	2.8
161.13290	4.2
162.06720	0.7
163.03931	2.0
163.11269	0.7
163.14787	3.0
165.09096	1.4
167.10712	1.2
171.11685	3.4
173.13274	0.8
175.07584	8.5
175.11182	3.6
175.14836	2.5
177.05608	0.9
177.16364	0.7
179.03380	1.0
179.10638	3.0
185.13272	1.4
189.12762	3.2
191.03386	2.9
193.08630	2.0
193.12202	3.4
199.14893	0.7
203.07065	7.0
203.14265	1.2
205.08591	1.0
207.13783	4.8
213.16312	0.7
215.18039	1.2
217.12334	1.8
217.15938	1.1
217.19540	8.6
221.15370	2.8
224.83109	0.6
231.17450	1.6
231.21074	1.1
233.08104	5.9
235.13333	3.1
235.16988	3.7
241.19489	4.7
259.17816	0.7
259.20590	5.6
277.10739	3.4
277.14401	4.3
277.18109	4.9
277.21634	34.4
277.28186	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	277.1071
Annotation	CHEBI:69071
Peak:m/z	Relative Intensity
55.01875	11.9
55.05495	5.6
56.28715	1.7
57.03427	2.2
57.07063	2.4
58.61525	1.3
59.55110	1.4
67.05508	10.2
69.03432	3.3
69.07071	39.5
70.40455	1.5
70.40784	4.9
79.05497	20.8
81.07068	14.0
82.62224	1.5
83.04977	3.8
83.08640	3.1
85.06565	1.8
89.03918	8.2
91.05487	6.7
93.07059	8.3
95.04961	2.0
95.08592	8.4
97.06533	44.0
105.07034	6.8
105.11021	1.6
106.04144	1.9
107.04937	7.5
107.08581	6.2
109.06518	2.9
109.10161	6.1
111.04462	1.5
116.68519	1.4
117.03396	11.6
118.33386	1.4
119.08585	4.9
121.06540	2.6
121.10162	5.4
123.08054	2.5
128.06145	1.9
129.07008	1.9
131.08588	3.0
133.02867	4.4
133.10149	3.6
134.03635	6.9
135.04431	28.7
135.11679	2.3
137.05981	3.4
139.03923	5.6
139.11201	3.4
143.08531	3.2
145.02846	16.4
145.10175	3.6
147.08064	1.6
148.85426	1.5
149.02353	2.9
149.06021	2.2
151.03912	7.3
157.10138	3.3
159.04448	2.1
159.11705	2.1
161.02399	3.6
161.06026	2.3
162.03156	3.5
163.03914	99.7
165.05469	1.9
171.11754	2.1
172.09518	1.6
175.03944	2.9
177.05450	5.1
179.03381	6.2
180.04211	4.6
181.04973	1.6
185.13235	1.6
191.03439	22.1
195.08075	3.1
203.06929	1.7
204.04245	1.9
213.05492	1.9
213.09175	2.8
213.16354	2.3
215.07082	2.4
217.04979	49.5
217.07065	3.2
217.16144	1.6
230.05646	2.8
231.17583	2.7
233.08116	25.4
235.17120	3.0
236.12062	1.7
241.08575	7.4
241.16069	3.3
259.09674	100.0
259.16983	5.8
260.09915	2.3
277.10843	8.0
277.14297	2.5
277.17813	7.4
277.21649	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	277.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00607	4.2
55.40486	4.1
58.52639	4.1
70.09500	12.1
94.93024	5.3
101.00858	10.6
104.56545	6.0
119.01978	4.7
123.88538	4.0
131.45946	3.9
135.03964	3.9
139.02443	4.9
157.03487	13.6
161.02893	5.7
185.02959	5.4
189.03485	12.9
190.03864	16.6
217.03772	4.7
235.06606	11.5
240.69656	4.0
247.04767	4.3
271.19043	4.3
277.03268	61.3
277.08853	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.4
55.01861	0.6
56.17947	0.3
61.88014	0.2
63.02377	0.3
69.03432	14.5
69.82065	1.3
79.05513	1.5
85.02901	0.7
86.48154	0.3
89.03919	7.5
90.13378	0.3
95.04965	0.3
97.02897	19.8
107.04949	2.2
115.03936	12.5
115.05344	1.3
117.03384	11.4
123.04454	1.9
127.05425	0.2
129.07030	0.5
135.04417	21.6
138.86485	0.2
139.14401	0.2
141.06967	1.0
143.04932	0.7
145.02850	15.1
147.04390	1.5
155.04878	0.5
157.06448	0.5
161.05963	1.1
163.03903	100.0
164.04271	0.9
167.04881	0.4
169.06502	0.5
173.05997	0.7
175.03915	0.8
185.05968	0.7
189.05432	0.6
201.05478	0.7
203.07098	0.4
213.05464	1.3
216.17603	0.3
217.04967	9.5
231.06441	0.4
241.04996	0.9
249.11299	0.3
259.06021	0.5
277.07019	1.7
277.22556	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0321
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53762	3.7
60.76421	3.4
61.86829	3.5
62.79454	3.8
64.28871	4.2
69.49228	12.1
69.49638	11.7
82.99860	6.3
84.08134	4.6
97.02940	4.0
101.00890	23.7
107.30074	3.9
111.71284	4.0
113.00875	8.3
115.02426	5.0
119.01917	15.5
131.01939	7.1
138.01582	4.8
139.05731	4.8
142.01125	7.4
143.01871	7.5
145.03442	5.9
147.03217	5.0
156.02617	7.2
157.03436	16.2
159.01392	6.0
161.02977	11.3
171.03224	6.5
175.04515	4.9
184.01955	5.3
185.02968	7.6
187.04308	4.7
189.04234	5.5
198.45467	3.8
223.06677	4.3
235.06543	18.3
245.05121	8.4
277.03064	12.8
277.07608	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93537	1.1
56.96569	6.7
59.00761	0.7
63.49916	0.8
63.74453	0.7
65.39558	0.7
65.42894	0.8
69.56286	4.0
70.95879	1.5
71.95267	2.1
82.99853	0.8
88.96856	0.7
98.97591	100.0
100.00120	0.8
101.00880	6.0
102.81329	0.7
103.00656	1.7
109.02926	1.0
113.00924	0.7
113.17739	0.7
115.02448	0.7
116.98631	34.2
119.01930	8.6
121.01614	1.0
131.01949	1.7
133.03520	2.0
134.99648	7.9
137.02986	1.0
142.01106	0.8
143.01941	4.4
145.03462	1.4
157.03490	6.5
158.99870	2.0
159.01387	1.0
160.02184	1.2
161.02950	5.8
163.03915	7.6
167.01909	0.8
169.03528	0.9
171.05022	0.7
173.03157	0.8
174.93869	1.0
175.04556	2.8
177.00974	5.6
179.00746	0.9
183.05029	1.1
185.03049	2.3
187.04596	1.7
192.94769	3.7
199.04581	1.2
203.04163	1.0
210.95747	3.4
216.98711	0.9
218.98419	0.9
219.02074	1.5
225.51579	0.9
234.95908	3.4
235.06654	2.5
240.98619	3.6
245.05070	1.6
249.94661	1.2
252.96945	1.6
258.99783	60.3
259.99921	1.5
267.95758	1.6
272.01050	1.0
276.97153	9.8
277.00861	53.3
277.07709	39.5
277.18015	0.8
278.00977	1.1
282.01358	1.5
294.98145	4.9
295.01642	0.7
295.09055	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
55.01902	0.3
55.05503	1.5
57.07082	0.9
67.05505	4.7
69.07069	1.6
69.10708	0.3
70.80151	0.5
77.04937	0.3
79.05485	1.2
80.43198	0.3
81.07054	5.2
83.08611	0.9
91.05477	1.0
93.07054	2.3
95.04967	0.4
95.08607	11.9
97.06529	0.8
97.10159	0.6
99.12367	0.3
105.07026	1.7
107.08601	1.3
109.06512	0.4
109.10158	3.7
111.08080	6.7
116.44289	0.3
119.08569	1.5
119.19886	0.3
121.10133	1.4
123.08069	100.0
123.11675	4.8
124.08359	0.5
125.09618	0.5
130.56393	0.3
133.10103	0.8
135.11684	0.9
137.08569	0.4
137.09615	8.1
137.13229	2.1
145.10146	0.5
147.11671	0.6
149.09679	0.3
149.13257	0.8
151.11162	0.8
151.14803	2.2
159.11668	0.5
161.13309	0.5
201.16389	0.7
225.15819	0.3
257.22668	1.8
275.20184	1.0
275.23685	14.5
275.27271	0.7
277.98767	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.1232
Annotation	Orixalone D
Peak:m/z	Relative Intensity
53.03932	0.3
55.93521	0.3
56.96544	0.2
57.69395	0.2
62.31318	0.2
68.04992	0.3
70.06236	0.9
72.93797	0.3
78.36263	0.2
81.03413	0.7
83.06100	0.6
91.05479	0.9
101.23618	0.2
115.39033	0.2
119.04926	0.5
120.68182	0.3
132.95865	0.3
134.06046	0.3
135.04459	0.3
137.05986	1.8
155.72583	0.2
159.06773	0.3
160.07596	0.8
162.05540	0.6
163.06316	0.3
164.07059	0.2
170.09715	0.3
176.07053	1.4
177.07874	6.1
178.08624	0.9
186.09186	0.9
188.07062	0.5
190.08562	0.6
201.07877	0.8
202.08640	9.7
203.09427	3.8
204.10135	0.4
214.08636	3.1
216.10217	8.4
217.10652	0.3
228.10201	0.4
230.08173	0.7
230.11717	1.9
234.96806	0.4
236.12810	0.7
245.13344	0.3
248.12701	0.2
252.97992	0.4
253.03830	1.0
258.11310	3.2
271.04916	1.1
276.12320	100.0
277.12573	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08720	0.9
55.05507	1.3
57.07063	0.9
67.05513	8.6
69.07064	2.8
69.21035	8.0
70.06588	0.8
71.08638	0.8
74.56923	0.8
79.05488	3.3
80.02600	0.7
81.07054	9.5
83.08590	1.4
86.08820	0.8
91.05470	2.1
93.07082	4.4
95.04990	1.2
95.08616	13.5
97.06508	1.8
98.21534	1.6
98.73368	0.8
104.44346	0.8
105.07043	2.9
105.91841	0.8
107.08578	4.6
109.10174	5.2
111.08070	4.5
119.08560	3.3
121.10154	3.2
123.08074	100.0
123.11718	6.8
133.10098	2.2
134.22060	0.8
135.11748	2.2
137.09608	9.0
137.13260	2.6
145.10017	1.1
147.11711	1.4
149.13254	1.5
151.14819	2.1
159.11621	0.9
163.14825	1.0
203.55051	0.8
226.07512	1.1
257.22668	2.3
275.04880	1.2
275.20081	5.5
275.23721	16.0
275.27597	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	275.237
Annotation	3beta-Hydroxy-delta5-steroid
Peak:m/z	Relative Intensity
53.03940	0.4
55.01851	0.2
55.05519	1.7
57.07082	1.0
67.05508	5.1
69.07073	1.7
69.32711	1.1
69.33128	0.5
77.03918	0.3
79.05508	1.6
81.07057	5.9
83.08622	0.9
91.05492	1.2
93.07047	2.7
95.04996	0.4
95.08611	12.7
97.06526	1.4
97.10182	0.6
105.07040	2.1
107.08591	1.7
109.06518	0.8
109.10162	3.9
111.08086	6.0
114.48996	0.2
117.07008	0.3
119.08591	1.6
121.10143	1.8
123.08071	100.0
123.11684	5.1
124.08455	0.3
125.09621	0.6
127.07543	0.3
131.08553	0.7
133.10162	1.3
135.08124	0.3
135.11743	1.0
135.50069	0.2
137.09621	9.0
137.13258	1.6
145.10147	0.8
147.11685	1.0
149.13275	0.7
151.11198	0.9
151.14821	2.2
159.11684	1.2
161.09679	0.3
161.13264	0.6
163.11172	0.2
165.12852	0.2
165.16464	0.3
173.13321	0.7
173.93677	0.2
177.16428	0.2
183.11671	0.3
187.14810	0.3
201.16350	0.5
215.17981	0.5
257.19049	0.4
257.22641	2.4
275.04877	0.4
275.20163	2.8
275.23727	14.5
275.27548	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2371
Annotation	3beta-Hydroxy-delta5-steroid
Peak:m/z	Relative Intensity
50.77148	0.2
53.03939	0.3
55.01864	0.2
55.05511	1.8
57.07074	0.9
67.05505	4.5
68.07330	0.2
69.03443	0.3
69.07061	2.1
69.37988	1.7
70.83009	0.2
71.08627	0.3
79.05489	1.9
81.07059	6.5
83.08623	1.2
91.05488	1.2
93.06489	0.3
93.07050	3.0
93.69590	0.2
95.04975	0.7
95.08609	14.1
97.06525	0.8
97.10165	0.8
105.07037	2.4
107.08588	2.5
109.06525	0.7
109.10152	4.9
111.08084	6.1
117.06949	0.3
119.08588	1.8
121.06444	0.3
121.10153	2.0
123.08069	100.0
123.11689	5.4
124.08401	0.6
125.09624	0.9
131.08568	0.7
133.10135	1.2
135.08044	0.2
135.11678	1.6
137.09621	10.0
137.13239	2.3
139.11176	0.3
145.10103	0.8
147.11671	1.0
149.09622	0.2
149.13293	1.0
151.11230	1.1
151.14806	2.3
159.11707	1.0
161.13231	0.8
163.11108	0.2
163.14796	0.3
165.12788	0.5
173.13220	0.6
175.14745	0.3
177.12740	0.3
187.14801	0.8
191.14362	0.3
191.18053	0.3
201.16411	0.8
203.17996	0.3
215.17865	0.5
217.19391	0.3
219.17404	0.5
229.19603	0.4
257.22668	3.1
275.04794	0.3
275.20166	1.5
275.23685	16.6
275.27393	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2371
Annotation	3beta-Hydroxy-delta5-steroid
Peak:m/z	Relative Intensity
50.90044	0.2
53.03944	0.4
53.86718	0.2
55.01885	0.4
55.05511	2.1
57.07084	1.1
57.85376	0.2
66.44105	0.2
67.05505	4.8
69.07080	1.7
70.06579	0.3
71.08617	0.3
72.85425	0.2
79.05504	2.2
81.03421	0.3
81.06592	0.4
81.07059	6.7
83.04977	0.4
83.08625	0.9
88.07619	0.5
91.05488	2.2
93.07047	3.5
95.04955	0.8
95.08613	10.9
97.06538	0.9
97.10163	0.4
98.20721	0.5
99.08018	0.3
105.07040	3.9
106.85097	0.2
107.04942	0.4
107.08599	2.1
109.06533	0.5
109.10165	4.5
111.08084	6.3
117.07026	0.8
119.08579	2.9
121.10136	1.6
123.08072	100.0
123.11686	4.9
124.08382	0.6
125.09628	0.9
129.06956	0.3
131.08606	1.0
133.10126	2.0
135.11685	0.8
137.09628	8.9
137.13232	2.1
145.10126	0.9
147.11688	1.9
149.09660	0.5
149.13283	1.1
151.11154	0.6
151.14850	1.9
157.10199	0.3
159.11725	1.0
161.13268	0.8
163.11223	0.4
165.12775	0.3
173.13268	0.8
175.14862	0.3
187.14873	0.5
201.16400	0.5
215.10715	0.2
215.18002	0.5
239.18239	0.3
257.15421	0.2
257.18918	0.3
257.19968	0.3
257.22656	2.5
267.23709	0.3
275.17221	0.3
275.20135	5.6
275.23734	13.1
275.27728	2.1
276.23868	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.237
Annotation	3beta-Hydroxy-delta5-steroid
Peak:m/z	Relative Intensity
55.01876	0.5
55.05510	1.7
55.05730	0.3
57.07069	1.1
67.05139	0.3
67.05505	5.6
67.45438	0.3
69.07060	2.0
71.04978	0.3
71.08626	0.5
71.49303	0.3
79.05485	1.9
81.07059	5.9
83.08608	1.1
88.73441	0.3
91.05481	2.1
93.07040	3.5
95.04961	0.8
95.08608	12.8
97.06533	1.5
97.10153	0.5
100.96794	0.3
105.07045	3.2
107.08612	2.2
108.35096	0.3
109.06522	0.6
109.10165	4.4
111.08083	6.1
117.07017	0.7
119.08572	2.5
121.10159	1.6
123.08068	100.0
123.11680	5.5
124.08395	0.5
124.93127	0.3
125.09612	0.7
129.07146	0.4
131.08585	1.1
133.10132	1.7
135.08099	0.4
135.11702	1.4
137.09624	9.6
137.13266	2.0
143.08656	0.4
145.10187	0.9
147.11655	1.7
149.09627	0.5
149.13252	1.0
151.11192	1.2
151.14832	2.1
159.11723	1.2
161.13243	0.9
163.11159	0.4
173.13298	0.9
187.11304	0.4
187.14781	0.6
201.16277	0.6
215.17984	0.5
257.18973	0.5
257.22668	2.6
275.04880	0.4
275.17386	0.6
275.20163	4.7
275.23737	14.7
275.27786	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2008
Annotation	Dicranin
Peak:m/z	Relative Intensity
51.89755	2.0
52.90027	1.6
53.03939	2.6
55.05502	8.2
55.28461	2.4
57.03434	1.9
57.07050	2.2
62.99260	1.6
65.03934	2.2
67.05177	2.0
67.05496	10.9
69.03407	4.8
69.07079	10.5
70.08555	7.2
71.05003	33.7
76.95522	1.8
77.24085	1.8
79.05485	14.2
81.03423	4.3
81.07056	23.2
83.04997	3.3
83.08617	3.0
83.65071	1.8
85.06530	8.8
91.05478	10.9
93.07032	15.7
95.04964	10.4
95.08614	32.2
97.05920	3.4
97.06532	46.4
99.04460	100.0
99.08066	3.1
105.07037	30.5
107.04943	5.3
107.08618	14.2
109.06519	6.4
109.10168	16.4
111.08132	3.4
113.09613	2.1
115.05483	2.9
116.04902	1.9
117.07022	6.2
119.08578	37.3
120.08089	5.6
121.06509	3.6
121.10145	37.9
123.04465	2.6
123.08075	4.0
123.11700	9.0
128.06250	5.8
129.06969	3.2
131.08572	10.6
133.02882	2.1
133.06499	1.8
133.10126	35.8
135.08057	4.6
135.11714	3.4
137.09601	13.1
141.07047	2.7
141.09114	2.7
142.07750	2.8
143.08571	11.1
145.10117	13.4
147.04414	9.4
147.08066	3.1
147.10532	4.7
147.11688	67.2
149.06056	2.3
149.07372	2.3
149.09601	3.2
151.07549	2.8
153.06932	3.2
155.08661	3.0
155.10670	61.1
156.09349	2.5
157.06532	3.0
157.10103	14.6
159.08066	3.1
159.11682	13.5
161.09598	13.1
161.13268	3.9
163.03931	2.1
169.10071	4.6
171.11685	7.8
173.13240	8.3
175.03893	4.2
175.07561	3.0
175.14807	10.1
179.03369	11.0
179.10721	2.8
183.11702	5.8
184.12370	3.0
187.07576	3.6
187.14832	7.9
189.09094	6.7
191.03384	5.9
197.13205	9.9
199.14836	22.7
201.12791	4.6
203.03387	2.3
203.07056	6.3
211.07542	2.0
215.06958	5.9
215.14284	3.0
217.15884	22.2
219.13782	3.9
229.08521	2.5
229.15999	2.8
231.06569	4.6
239.17969	12.3
247.09596	2.4
257.08029	3.1
257.15598	2.7
257.18985	15.5
275.09134	43.1
275.16833	4.5
275.20093	35.7
275.23358	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
50.79992	0.9
52.56016	0.9
53.03941	3.3
55.01876	13.1
55.05512	16.2
57.03420	1.9
57.07070	2.3
59.04998	1.3
65.03936	2.2
67.05506	23.0
69.03426	1.0
69.07069	12.6
69.32131	8.0
69.82510	0.8
70.06579	1.1
71.04965	1.6
71.08632	2.3
79.05496	25.7
81.03400	1.7
81.07061	40.3
83.04972	3.2
83.08627	5.2
85.06525	1.9
88.07604	2.3
91.05487	55.3
93.06493	1.9
93.07050	24.9
94.57006	0.9
95.04966	4.0
95.08605	16.9
97.06536	15.3
97.10149	3.2
99.08108	1.9
103.05461	1.9
105.07037	85.6
106.08657	2.3
107.04952	8.4
107.08591	18.3
109.06516	3.7
109.10157	9.2
111.08109	2.0
115.05458	1.2
117.07027	13.1
119.08585	40.5
121.06516	2.9
121.10140	7.8
123.08054	4.8
123.11713	3.8
125.09588	2.5
129.06993	2.8
131.08577	23.3
133.06541	1.7
133.10135	50.3
135.08037	3.2
135.11676	5.0
137.09612	2.3
143.08575	3.0
145.06444	1.2
145.10132	16.9
146.10860	0.9
147.08080	1.9
147.11699	21.9
149.09621	11.8
149.13301	1.7
151.11183	2.2
155.08549	2.8
157.10132	3.7
158.37274	1.1
159.11720	10.2
161.09566	1.5
161.13280	3.7
163.11169	3.4
163.14896	1.6
165.09193	2.3
165.12708	1.2
169.10107	2.2
170.60448	1.0
171.11697	2.8
173.09673	2.3
173.13231	5.2
175.11201	1.6
175.14920	1.2
176.42479	1.2
177.12717	1.7
179.14265	1.3
183.11748	1.8
185.13168	1.3
187.11151	1.2
187.14870	1.6
189.12738	1.4
197.13315	1.7
201.12868	1.0
201.16396	1.1
215.17871	1.1
219.17404	3.2
229.19604	2.4
234.74687	1.0
239.17889	2.6
247.20563	1.9
257.19070	9.7
257.21811	1.3
257.26721	1.9
275.04822	1.2
275.20081	100.0
275.27747	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	275.2006
Annotation	Cinmethylin
Peak:m/z	Relative Intensity
53.03940	3.3
55.01867	7.4
55.05277	1.1
55.05516	16.8
57.03434	0.8
57.07063	2.0
64.84210	0.9
65.03926	1.3
67.05183	1.4
67.05512	18.5
69.03418	1.1
69.07072	13.0
69.95024	3.1
71.05000	1.1
71.08605	1.0
77.03932	1.2
79.05495	22.9
81.03426	1.7
81.07060	39.5
83.04971	2.4
83.08621	6.0
91.05488	57.0
93.07050	22.1
95.04972	3.4
95.08611	13.2
97.06538	11.1
97.10149	2.6
102.21171	0.8
103.05473	2.1
105.07035	100.0
107.04948	4.1
107.08601	10.4
109.06531	2.1
109.10168	4.8
111.07990	1.1
113.05994	1.2
115.05415	0.9
116.45074	0.8
117.07016	13.2
119.08586	43.5
121.06493	2.2
121.10167	8.0
123.08076	1.9
123.11702	2.0
131.08575	19.2
132.09335	1.8
133.10138	57.4
135.08031	1.9
135.11726	4.1
137.09622	1.6
141.07016	1.1
143.08539	2.3
145.10143	15.0
147.11694	19.5
149.09612	3.8
149.13290	1.7
151.11195	1.3
157.10155	2.9
157.74736	0.9
159.11716	7.0
161.13271	2.4
163.11174	1.9
165.09143	1.7
171.11696	2.8
173.13277	3.3
175.11150	0.9
177.12772	2.0
179.14398	1.9
183.11714	2.3
187.11143	1.1
197.13300	2.0
201.12689	1.0
215.14336	1.3
215.17902	1.5
219.13838	1.0
229.15938	0.9
235.86546	0.9
239.18013	2.6
247.20596	2.0
257.18933	5.9
275.20084	85.7
275.27786	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	275.2005
Annotation	Apo-13-zeaxanthinone
Peak:m/z	Relative Intensity
55.05508	4.4
57.03403	1.3
57.07057	2.5
67.05505	5.1
67.05798	0.9
68.87021	0.9
69.03431	1.3
69.07069	13.7
69.24370	8.8
71.04980	2.6
79.05485	5.2
80.09048	1.0
81.07047	8.3
83.04943	1.2
83.08601	1.4
85.06528	3.5
90.46648	0.9
91.05472	8.3
93.06497	1.3
93.07050	12.0
95.04953	1.9
95.08613	8.7
95.12915	1.0
97.06554	2.0
105.07030	12.3
106.08591	1.0
107.04958	1.4
107.08591	8.9
109.06502	3.1
109.10152	6.7
111.07381	1.6
111.08082	22.0
111.11707	0.8
113.09686	4.8
117.07020	3.0
119.08570	10.9
121.06493	3.0
121.10134	7.4
122.07257	3.9
123.08071	15.9
123.11707	1.9
131.08572	13.0
133.10158	6.7
135.08052	22.3
135.11667	2.5
137.09572	3.2
139.07509	1.1
139.11182	2.1
143.08557	3.4
145.10121	7.5
147.11687	8.6
149.09613	3.7
149.13249	1.1
155.08612	1.3
156.09346	1.5
157.10130	4.7
158.10849	1.2
159.11687	9.6
161.09621	2.5
161.13275	2.2
163.11200	2.7
165.12749	3.9
169.10199	1.2
171.11711	14.5
173.09592	1.3
173.13228	4.4
175.11168	3.3
175.14809	2.8
176.11948	5.3
177.12766	1.3
181.12224	14.7
183.11684	1.9
187.14888	2.0
189.12772	3.0
189.16339	1.1
191.14304	100.0
192.14703	1.2
197.13254	1.3
199.14775	5.4
201.12791	1.8
215.17871	4.9
217.15840	5.5
231.17444	1.4
239.18063	2.8
257.18994	9.3
275.04984	1.0
275.16962	2.4
275.20065	45.2
275.27676	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2008
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03948	3.4
55.01864	2.8
55.05505	14.0
57.03426	4.6
57.07067	5.2
65.03942	1.7
67.05513	20.2
69.03425	1.9
69.07083	11.9
69.83910	6.4
70.06590	5.6
70.07867	1.3
71.04994	5.0
71.06930	2.9
71.08618	2.0
77.03914	1.8
79.05503	20.9
81.03422	2.5
81.07069	28.0
83.04990	4.8
83.08613	7.1
84.94089	1.4
85.06537	3.5
88.07629	8.3
89.07966	2.2
91.05482	38.8
93.07053	23.6
95.04949	2.7
95.08615	16.0
97.06537	2.9
99.08057	1.7
102.09173	3.1
105.07037	55.2
106.08663	4.4
107.04938	6.9
107.08578	18.0
108.35715	1.4
109.06536	10.0
109.10150	7.2
111.08083	3.6
117.07023	10.9
119.08595	32.7
121.06518	2.7
121.10164	12.0
123.08111	4.4
123.11678	2.6
125.09627	2.4
129.06996	4.2
131.08578	19.4
133.10133	39.0
135.08070	6.7
135.11700	6.2
137.09601	3.3
142.07806	1.8
143.08578	5.4
144.09326	2.8
145.10132	18.3
146.10818	1.5
147.08063	1.9
147.11707	21.4
149.09636	7.7
149.13268	2.5
155.08604	2.4
157.10127	8.7
158.10875	3.1
159.11705	14.6
161.09561	2.1
161.13248	4.4
163.11186	4.1
169.10132	3.9
171.11716	4.6
173.09492	1.6
173.13258	18.2
175.11195	4.0
175.14903	3.1
177.12744	3.2
183.11714	4.0
185.13313	3.7
187.11179	3.2
187.14818	2.4
189.12790	1.9
191.14325	5.0
194.90021	1.4
197.13248	3.8
199.14862	3.2
201.12827	4.2
203.14316	2.4
213.16368	2.3
215.14388	2.2
239.18024	6.9
247.20612	3.4
257.19031	15.3
257.26724	4.8
275.20084	100.0
275.27786	74.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2006
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
54.43130	2.3
55.01880	3.6
55.05515	13.6
55.93527	5.2
57.03444	3.6
57.07069	2.5
59.04983	3.6
65.03937	3.8
67.05508	26.0
69.07066	21.3
70.95861	5.6
71.04993	9.8
71.49709	2.3
71.50074	4.4
72.93775	3.5
79.05501	20.7
80.73811	2.4
81.03413	5.5
81.07062	27.4
83.04990	4.5
83.08628	8.3
85.06557	3.1
90.94865	3.2
91.05480	32.1
93.07051	29.6
95.04984	4.9
95.08620	24.5
97.06560	7.0
97.10194	2.6
105.07037	45.1
105.07706	4.0
107.04977	3.9
107.08591	25.1
109.06529	6.8
109.10128	12.6
115.05455	3.1
117.07006	14.8
119.08587	36.0
121.06521	5.5
121.10159	11.2
123.04420	4.7
123.08108	3.8
123.11775	4.9
125.09641	3.7
128.06248	4.3
129.06961	4.2
131.08583	28.3
133.10141	31.6
135.08069	7.2
135.11702	6.6
139.03914	3.2
141.06956	3.4
142.07826	3.7
143.08588	11.1
144.09413	3.3
145.10124	25.4
147.08069	4.4
147.11676	21.6
149.09653	6.9
151.11209	2.7
155.08588	4.6
156.09447	3.2
157.10152	9.2
158.10977	2.4
159.08060	4.3
159.11711	18.4
161.09657	3.9
161.13248	16.2
163.11124	3.5
165.12920	3.4
169.10124	4.7
171.08003	3.4
171.11682	14.7
173.09697	4.8
173.13289	18.4
175.11208	4.7
175.14868	5.7
177.12802	3.7
179.03334	2.7
183.11717	5.0
185.13277	5.4
187.11281	7.4
187.14803	20.6
189.09183	3.4
189.12755	13.5
197.13329	2.9
199.14912	3.8
201.12817	3.2
201.16557	3.0
203.08643	2.8
203.14293	5.2
207.01224	3.0
215.14412	3.3
215.18033	4.1
217.10252	4.0
219.11725	3.5
229.19571	11.4
231.11749	5.7
231.17419	4.2
232.12416	3.2
233.13306	7.5
239.17917	5.3
245.13406	4.2
257.15472	3.9
257.19101	20.5
260.15601	4.4
275.04874	4.4
275.09302	9.1
275.13327	4.6
275.17612	9.5
275.20181	100.0
275.27899	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	275.1643
Annotation	Haterumadysin A
Peak:m/z	Relative Intensity
51.02374	2.0
53.03956	9.7
55.01874	3.3
55.05516	18.9
57.03437	2.0
57.07072	2.2
65.03939	4.8
66.06970	1.0
67.05507	21.5
69.03447	2.0
69.07072	30.7
69.47080	1.0
69.79859	6.3
71.04992	8.3
71.84011	1.2
77.03924	1.9
79.05499	66.6
81.03452	1.7
81.06590	2.6
81.07059	39.0
83.04979	10.5
83.08620	5.2
84.90489	1.3
85.06558	8.2
91.05489	91.7
93.03378	1.8
93.07047	46.3
95.04980	10.6
95.08612	27.0
97.06529	7.9
97.10184	1.8
99.04477	1.7
101.05968	1.5
103.05475	3.9
105.03406	2.5
105.04524	5.0
105.07036	100.0
107.04961	58.6
107.08607	25.7
109.06550	7.4
109.10165	31.2
109.10931	1.3
111.04470	1.5
111.08067	2.2
115.05453	1.7
117.07038	11.4
119.04962	11.2
119.07813	2.0
119.08592	25.2
121.06520	17.8
121.10151	14.8
123.04449	5.4
123.08069	3.2
123.11678	6.5
127.07580	2.3
128.06218	1.7
129.07018	3.8
130.07794	1.4
131.04961	2.8
131.08583	17.8
133.02835	1.3
133.06488	3.8
133.10141	38.1
135.04398	6.1
135.08037	4.9
135.11697	2.8
137.05983	56.4
139.07571	2.8
139.11174	14.8
143.08568	6.1
144.09294	1.7
145.06546	2.0
145.10136	18.9
147.04402	2.3
147.08025	12.1
147.11732	6.1
149.05998	18.4
149.09625	3.0
149.13283	3.3
151.03941	5.7
151.07562	5.8
151.11201	4.0
154.63893	1.2
155.08575	7.5
157.10135	3.4
159.08133	1.5
159.11708	9.3
161.09627	6.0
161.13269	3.2
163.07542	3.6
163.11186	1.6
163.14792	1.6
165.09219	1.6
166.24643	1.1
167.10661	2.7
169.10164	4.2
171.11702	2.7
173.09581	2.9
173.13310	5.1
175.11230	2.4
175.14761	1.6
175.32210	1.2
177.09113	3.8
179.03416	5.6
183.11702	3.0
185.13350	2.0
187.14813	9.7
191.10672	5.2
193.12273	1.8
197.13258	2.1
201.12764	2.0
201.16367	16.1
211.14810	6.3
213.16347	1.2
215.14287	2.2
217.15714	1.9
219.13857	1.6
229.15907	9.1
239.14290	1.3
247.17043	2.0
257.15335	5.3
257.19092	1.7
257.22745	2.1
275.09250	9.2
275.16440	17.5
275.20074	13.1
275.23383	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	275.0915
Annotation	5-Acetoxyisogoniothalamin oxide
Peak:m/z	Relative Intensity
51.77723	0.8
55.01859	1.3
55.05499	2.7
57.03411	1.1
65.19890	0.7
67.05511	4.3
69.03420	1.2
69.07079	4.0
70.00093	3.7
70.59082	0.8
78.74085	0.8
79.05512	5.6
80.72356	0.8
81.07056	6.3
83.04971	3.3
83.08607	1.2
85.06554	1.2
91.05487	7.3
93.07060	5.7
95.08627	5.0
95.09476	0.8
97.06524	7.2
105.07033	5.8
107.08593	3.8
109.06519	1.9
109.10164	2.1
111.20660	0.8
116.09794	0.8
117.07023	1.2
119.04935	1.9
119.08577	4.0
121.06503	1.1
121.10147	2.7
123.04404	2.0
123.11703	1.9
129.07007	0.9
131.08566	3.2
133.02818	1.9
133.10110	3.1
135.08041	1.8
135.11728	1.4
136.06099	1.2
137.05980	6.4
137.09666	1.5
139.11182	5.5
142.07719	1.2
143.08565	1.4
145.06512	1.5
145.10110	2.5
147.08005	1.1
147.11720	2.1
148.20340	0.8
149.09619	1.0
151.11221	1.9
155.08562	3.2
157.10123	1.9
159.08076	4.5
159.11688	3.0
161.13251	1.6
163.07561	3.4
167.98195	0.9
169.06525	1.4
169.10173	1.8
171.11746	1.6
173.05992	5.0
173.09669	1.2
173.13283	1.9
175.03874	1.5
176.04718	1.6
179.03436	6.4
183.08084	4.1
185.05933	0.9
186.06674	0.9
187.07535	8.7
187.11182	1.2
187.14844	1.1
189.05421	1.1
190.06218	2.6
191.07040	22.3
197.06010	2.2
197.13271	1.3
200.04665	0.8
201.09151	5.0
201.16391	0.9
203.07123	1.1
211.07597	9.5
214.06230	4.0
215.07022	9.7
215.14413	2.0
229.08626	21.0
229.15962	1.9
229.19620	1.1
233.08096	72.2
234.08336	1.4
239.07079	4.9
242.05730	6.8
257.08102	53.0
257.15448	2.2
257.18903	0.9
275.09152	100.0
275.16428	8.4
275.20050	7.9
275.23370	1.6
276.09494	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0915
Annotation	Ficuformodiol A
Peak:m/z	Relative Intensity
53.03929	2.8
55.01863	5.6
55.05499	5.2
57.03431	2.6
59.96718	1.1
65.03931	2.4
67.05508	8.3
69.03418	2.5
69.07072	7.3
69.83524	2.0
69.83932	4.4
71.04977	3.6
74.25941	1.5
77.03923	1.3
79.05500	10.7
81.03422	2.1
81.07064	7.6
83.01343	1.2
83.04972	1.9
83.08595	1.4
85.06554	1.3
91.05482	10.7
93.07042	8.1
95.04967	2.2
95.08613	5.7
97.06542	21.5
99.04441	1.8
103.05493	8.2
105.03403	1.3
105.07035	11.2
107.04956	7.9
107.08595	4.4
109.02879	1.6
109.06543	1.4
109.10145	3.9
117.07022	4.0
119.04939	3.1
119.08582	8.5
121.02890	7.0
121.06481	5.7
121.10130	3.2
123.04446	5.0
127.73076	1.4
128.06212	1.6
129.07005	2.8
130.07748	1.4
130.77876	1.2
131.04936	44.2
131.08575	3.6
133.01971	1.1
133.02863	4.6
133.06502	2.7
133.10162	7.2
135.00769	1.7
135.04407	11.9
135.08040	1.8
137.05978	2.9
137.09700	1.5
139.11198	2.4
143.08578	2.1
145.06493	2.7
145.10091	5.2
147.04430	10.0
147.08037	2.0
147.11671	3.6
149.02347	8.2
149.06001	15.2
149.09648	1.7
151.03877	5.2
151.11246	1.4
152.61795	1.2
155.08519	3.8
157.10133	2.9
158.07291	1.5
159.04436	30.0
159.08031	3.3
159.11694	4.8
161.02313	3.7
161.05962	1.5
161.13249	2.0
162.37068	1.2
162.79848	1.1
163.03925	20.1
163.11311	1.3
171.08041	1.6
173.02357	1.8
173.06096	1.3
173.09694	2.9
173.13324	1.7
175.03947	9.6
175.07535	1.2
175.14903	1.9
177.01845	4.6
177.05495	18.5
178.02733	1.1
179.03372	14.0
183.08075	3.8
183.11691	1.9
185.06036	1.6
185.09734	1.5
187.03922	17.9
191.03403	95.1
197.13297	1.2
199.07635	1.3
201.09088	3.2
201.16272	2.0
203.03427	4.5
203.07036	6.5
205.01352	27.0
205.04944	25.3
205.06741	1.9
205.08665	1.5
211.07524	1.2
213.05606	2.3
215.03442	10.4
215.07033	4.5
219.06465	1.5
221.04373	9.7
223.02423	4.9
229.08630	5.3
229.15962	1.3
231.06538	12.1
231.13850	1.4
233.04462	100.0
233.08234	3.3
234.04967	1.8
239.14349	1.4
239.17932	1.7
245.08221	1.5
247.09705	5.5
257.08072	13.8
257.15393	2.7
257.19092	1.6
269.52960	1.4
275.09152	73.5
275.16452	6.5
275.20090	14.1
275.23721	3.7
276.09576	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.2
56.96559	4.2
58.99854	1.2
60.21274	1.0
67.05506	1.7
68.98312	1.1
69.03443	1.5
70.26839	3.3
81.82338	0.9
82.99832	7.3
83.04996	1.3
85.01401	1.5
85.02888	3.0
86.06075	1.1
86.99312	1.5
88.58876	0.9
93.03406	1.9
94.99821	1.4
95.04966	3.4
97.01367	1.0
97.02896	4.3
98.20914	1.3
98.97604	7.3
101.00887	54.3
101.07171	1.1
102.01122	1.0
103.02396	1.2
107.03474	1.1
109.01390	2.9
110.97596	2.3
111.04440	1.8
113.00858	2.7
113.60951	0.9
115.02425	2.4
117.04026	2.0
119.01931	73.2
121.02871	5.9
125.07104	2.0
127.02424	25.3
127.03899	1.1
129.03998	3.1
131.01901	4.5
133.03474	2.2
135.04369	1.3
137.02977	10.7
139.02406	2.2
139.03893	2.3
141.03931	1.9
143.01947	8.7
143.05571	2.4
145.03476	49.9
147.01329	1.7
151.02406	4.4
153.03998	4.9
155.01900	9.5
157.03485	11.6
158.99689	2.5
159.05063	11.8
161.02946	7.6
163.02705	1.0
163.03766	4.9
167.01913	3.4
169.03474	81.7
170.03529	1.3
171.01411	2.7
171.05043	15.9
172.97502	1.1
173.01512	1.6
173.02968	8.8
175.04584	2.5
177.00755	1.2
177.06100	1.7
179.01962	4.4
185.02966	24.1
187.04532	72.6
189.02446	5.0
189.06171	1.6
193.03528	1.6
195.05055	5.3
197.02962	25.7
203.01932	2.5
203.04012	8.3
205.05544	6.4
209.95827	1.2
211.04489	4.4
213.02408	5.0
213.06055	3.1
215.02080	1.8
215.04012	22.7
221.02950	15.5
221.04910	1.6
229.05595	37.5
231.03494	6.6
233.05161	4.2
239.04041	2.5
247.06653	19.0
249.04498	1.3
257.05145	5.0
275.06149	100.0
275.10977	2.9
276.06387	2.0
293.07361	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	275.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.4
55.39156	0.2
58.99858	0.3
62.17020	0.2
65.03932	1.2
65.66207	0.2
67.05504	2.8
68.98287	0.6
69.03432	1.6
71.48470	0.3
81.03401	0.4
82.99823	6.1
83.00287	0.5
83.04981	1.9
85.01399	0.7
86.99344	0.5
93.03408	1.6
95.04960	2.7
97.01405	0.6
97.02881	1.7
100.67995	0.2
101.00877	43.3
101.25170	0.3
102.00957	0.5
103.02435	0.7
105.00383	0.5
107.03457	0.7
109.01324	2.6
111.00427	0.6
111.02917	0.9
111.04448	1.6
113.00858	0.8
115.02437	1.3
118.25801	0.2
119.01916	47.5
120.02027	0.7
121.02873	5.7
121.24451	0.2
123.02942	0.4
124.02463	0.3
125.00900	0.5
125.04475	1.0
127.02410	22.3
128.02567	0.4
129.00369	0.3
129.03989	1.6
131.01897	1.0
133.01364	0.3
133.03496	1.2
137.02945	5.5
137.03911	0.5
139.02396	2.9
139.03909	1.2
141.03969	1.1
142.03506	0.4
143.01897	4.8
143.05554	1.3
145.03458	36.1
146.03557	0.4
147.01376	0.5
147.05038	0.3
151.02400	4.0
153.00417	0.3
153.03970	3.7
155.01901	0.8
157.03459	10.6
159.05058	0.7
161.00841	0.5
161.02950	5.7
161.06592	0.6
163.04529	0.8
165.02483	0.2
167.01892	4.3
167.05554	0.4
169.03455	66.4
170.03577	1.1
171.01399	2.0
171.05023	8.8
173.02966	0.8
175.04562	1.6
176.38957	0.2
177.03899	0.6
179.01901	2.2
181.42670	0.2
183.05081	1.1
185.02950	25.7
186.03195	0.6
187.04512	62.5
188.04642	0.9
189.02498	1.5
189.06070	1.0
193.03468	1.3
195.05031	5.4
197.02940	14.1
203.01942	1.2
203.03992	4.0
205.05569	5.5
208.04506	0.3
210.06148	0.7
211.04514	5.2
213.02469	1.8
213.06023	3.3
215.04002	12.4
221.02916	3.9
227.04044	0.4
229.05566	47.9
230.05714	1.1
231.03511	2.7
231.07103	0.6
233.05009	0.5
239.03978	3.1
247.06624	18.9
248.06683	0.4
249.04546	1.6
257.05066	4.1
270.08157	0.3
275.06100	100.0
276.06323	2.3
293.07153	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	275.0487
Annotation	Phenylbenzimidazolesulfonic acid
Peak:m/z	Relative Intensity
55.01844	0.2
55.05492	0.3
55.93520	0.5
56.96556	0.7
60.73767	0.2
63.11086	0.2
69.03426	0.4
69.95848	0.2
70.06590	0.2
71.48570	0.4
71.56651	0.2
79.05498	0.3
80.05018	0.5
81.03404	0.8
81.59116	0.2
84.04521	0.3
86.09695	0.4
91.05482	0.6
92.05011	0.5
93.07013	0.4
95.05040	0.2
97.02885	0.4
104.05014	0.2
107.04945	0.5
108.04486	1.7
110.97588	0.3
111.37817	0.2
112.77809	0.2
115.05466	0.5
119.04944	0.3
123.54052	0.2
129.07010	0.3
131.04912	0.2
131.08537	0.4
133.06544	0.2
135.04446	0.2
137.05936	0.5
139.03893	0.7
141.07010	0.5
145.10135	0.3
146.06035	0.7
146.99599	0.2
147.04430	0.4
151.03976	0.3
155.08586	0.7
159.08023	0.4
161.05965	0.5
163.03835	0.3
169.06488	0.6
173.06049	0.5
175.03891	0.5
175.07582	0.6
182.08415	0.8
183.08022	0.4
185.05962	0.4
186.06740	1.2
187.07568	0.5
191.07214	0.3
193.07640	2.5
194.08405	18.6
195.09204	6.1
197.06006	0.5
201.09142	0.9
203.07094	0.4
205.96677	0.6
209.07118	0.9
210.07912	0.6
211.08743	3.2
213.05551	0.3
217.04927	0.3
217.08603	0.3
221.03070	0.3
223.01859	0.4
226.07396	17.3
229.08519	5.3
231.06569	0.5
231.57719	0.2
239.02126	0.4
243.63742	0.7
251.97174	0.6
257.09067	1.9
265.65149	0.5
274.03931	0.3
274.27472	0.5
275.04865	100.0
276.05237	1.1
276.12350	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.274
Annotation	Hexadecasphinganine
Peak:m/z	Relative Intensity
50.91751	0.3
57.06804	0.4
57.07076	8.0
58.06584	0.7
62.06077	0.4
68.04998	0.3
69.70115	1.1
69.70550	0.9
70.06595	12.5
70.35863	0.3
70.36320	0.3
71.08633	3.4
85.10179	0.9
88.07632	18.4
98.20818	0.4
102.08561	0.5
102.09182	5.2
106.08669	9.9
121.05386	0.3
212.23720	0.5
230.24779	1.2
256.26358	7.4
274.27402	100.0
275.27811	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0166
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64181	1.4
56.96559	8.5
67.05480	1.9
68.98309	1.6
69.03429	3.4
70.34245	4.3
70.98108	7.2
70.98455	1.4
70.99853	1.7
73.02898	1.8
82.99837	9.4
83.04965	2.8
85.01386	2.2
85.02894	4.5
88.48548	1.5
91.53784	1.6
93.03390	2.3
95.04950	4.0
97.02873	3.7
98.97580	6.8
101.00882	59.7
103.02426	2.3
109.01402	5.0
111.04456	2.5
113.00857	6.1
115.02398	3.3
116.98610	2.9
119.01923	61.9
120.04010	1.6
121.02853	7.1
125.00833	1.6
127.02415	29.0
128.98582	2.3
129.04001	3.5
131.01918	8.5
133.03455	2.2
135.33246	1.7
136.06206	1.4
137.02971	5.0
139.02390	3.0
143.01917	10.5
143.05489	2.2
145.01697	2.9
145.03458	53.5
146.99615	2.8
151.02409	4.7
153.03951	7.4
154.96481	3.3
155.01891	8.6
157.03464	14.6
159.05037	8.6
161.02975	8.1
163.04504	1.7
167.01920	6.2
169.03468	87.3
171.01437	2.7
171.05022	16.5
172.97600	6.2
173.02968	7.5
174.99190	3.8
175.04518	1.5
179.01912	4.6
183.04999	2.0
185.02959	32.6
185.06575	2.7
187.04532	70.1
189.02428	4.8
190.98604	4.5
193.00288	1.9
193.03424	2.6
195.03363	1.6
195.05051	6.6
197.02966	23.1
203.02066	2.4
203.04002	7.0
205.05603	4.9
210.06392	1.6
211.04544	5.1
213.02466	5.4
215.03990	28.0
221.03018	9.7
229.01950	2.1
229.05577	40.0
229.07745	3.4
231.03531	5.5
232.99637	4.2
239.04076	3.2
247.06630	17.4
249.04617	1.9
251.00574	1.6
257.05084	5.8
275.06125	100.0
293.07202	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	274.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.2
57.57805	1.1
59.79049	1.4
70.28259	2.4
85.02903	4.2
90.14890	1.3
97.02915	1.3
99.02724	1.2
123.95950	1.2
127.03956	1.3
144.02115	1.6
171.04192	3.4
183.55148	1.6
187.03682	100.0
215.03154	10.2
223.06657	1.4
274.10519	96.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2576
Annotation	Trixagoene
Peak:m/z	Relative Intensity
53.03931	5.1
55.05509	21.7
57.07071	7.8
67.05515	27.1
69.07073	44.1
69.84341	6.2
69.84761	8.7
71.08614	6.1
72.86910	3.0
73.61681	2.6
73.94436	2.8
79.05502	24.3
80.67003	2.8
81.06601	6.1
81.07055	84.5
82.81582	3.4
83.08608	17.3
91.05477	26.2
93.07047	56.2
95.08609	100.0
97.10178	16.2
105.07020	27.1
107.08588	86.5
109.10159	47.0
111.11679	4.3
117.07074	3.1
119.08557	36.2
121.09336	4.8
121.10139	55.9
123.11696	23.8
131.08615	3.2
133.10110	26.9
135.08028	3.1
135.11674	39.9
135.45399	3.7
137.13260	4.8
145.10135	7.9
147.11685	25.7
149.09698	3.0
149.12199	4.5
149.13268	32.4
157.10112	4.7
159.11659	7.3
161.13284	18.3
163.14844	40.9
175.14841	10.5
177.16382	21.0
180.00726	3.5
189.16400	28.2
191.17941	70.9
203.17941	52.4
215.17841	6.3
215.99913	3.1
217.19493	13.6
227.18094	3.9
243.01877	3.0
255.17456	3.4
273.14694	4.4
273.18494	15.5
273.22339	14.0
273.25763	70.4
274.27371	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	274.0161
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81953	1.2
55.93528	63.6
56.94301	2.6
56.96570	1.5
60.63935	1.0
70.06560	1.4
70.95865	15.8
70.98126	1.1
71.48881	1.7
71.92997	4.8
72.93785	10.0
81.03413	3.3
84.04502	2.4
86.09695	1.6
88.96881	2.1
89.94019	1.1
90.94823	3.8
91.05487	2.2
94.04215	1.0
108.95844	1.1
118.04146	1.5
119.04924	1.5
120.05290	1.9
133.06509	1.1
134.03612	1.6
137.97635	2.0
138.98363	2.2
144.06551	1.1
144.43967	0.9
155.98683	2.1
161.09215	2.2
163.99239	3.4
165.97136	5.7
166.97929	1.6
168.95851	1.0
178.97905	1.8
179.98654	2.6
181.96716	1.9
182.97569	1.1
183.98256	4.1
189.97076	8.0
191.68597	1.2
193.96573	1.6
194.97415	10.5
195.94496	1.5
205.96626	4.0
206.97417	5.5
207.98187	21.6
208.95265	9.3
211.97635	3.1
212.98485	7.0
217.96877	2.3
217.99010	4.6
218.97379	3.2
218.99452	1.1
221.96126	33.6
221.98325	1.7
223.97720	2.1
224.98453	2.4
225.04382	1.4
225.99202	12.9
226.96342	3.5
229.09799	2.4
229.99130	1.4
230.99767	10.4
231.96893	1.8
232.98907	1.5
234.96774	7.0
235.97704	16.9
235.99986	2.2
236.98459	3.7
239.02338	1.2
239.97165	3.6
249.00838	2.2
249.95596	11.0
250.99989	1.7
251.02246	1.4
252.98009	3.7
253.98720	20.3
258.99277	100.0
259.99588	1.6
267.96677	2.9
269.03397	3.0
274.01401	2.2
274.07736	1.3
274.11890	12.4
274.27365	3.6
277.00323	55.7
287.04614	1.6
292.02408	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2576
Annotation	Trixagoene
Peak:m/z	Relative Intensity
51.71696	1.5
55.05514	20.7
57.07074	9.4
67.05193	2.1
67.05508	28.3
69.07069	41.1
71.08613	2.5
79.05489	17.6
81.07059	84.7
83.08614	12.9
91.05471	15.6
93.06491	3.3
93.07049	43.3
95.04958	1.7
95.08611	87.8
97.10159	13.1
98.20745	4.8
105.06406	2.3
105.07040	28.4
107.07890	2.3
107.08602	58.3
109.10161	63.6
111.11707	4.4
119.08585	29.0
121.10155	52.0
123.10834	2.8
123.11713	42.7
131.08560	2.9
133.10136	20.8
135.10695	2.9
135.11688	37.6
137.13258	17.1
140.69177	1.8
145.10051	3.4
147.11691	22.6
149.13258	50.1
151.14792	7.2
159.11624	2.7
161.13269	32.2
163.14848	28.3
165.16357	2.1
173.13292	1.9
175.14836	20.9
177.16379	17.1
189.16370	24.4
191.17989	11.4
203.17964	21.5
217.19510	28.4
221.43280	1.7
231.20943	2.1
255.21245	3.3
273.19043	3.1
273.22385	6.8
273.25757	100.0
274.85376	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2575
Annotation	Trixagoene
Peak:m/z	Relative Intensity
50.28382	0.9
53.57288	0.9
55.05516	11.9
55.15144	1.0
57.07079	11.5
67.05503	12.4
69.07070	29.1
69.54044	6.8
71.08632	1.6
71.73177	0.9
73.42241	1.0
76.37968	0.9
79.05499	6.3
81.06605	1.6
81.07059	30.3
82.71849	0.9
83.08616	11.3
91.05479	5.9
93.07047	18.0
95.08607	35.6
97.10159	7.3
98.21496	1.9
105.07026	13.8
107.07883	1.9
107.08595	34.5
109.09477	1.8
109.10162	24.4
111.11727	10.6
119.08596	13.0
121.10149	22.8
121.10951	0.6
123.11713	14.8
125.13247	1.6
133.10156	8.2
135.11694	17.3
137.13251	7.9
145.10115	1.5
147.11687	10.5
149.13266	18.1
151.14810	3.6
155.13396	1.2
157.10010	1.0
161.13286	12.0
163.14825	25.4
175.14842	13.9
177.16425	11.2
189.16396	9.9
191.17973	4.7
203.17981	9.3
217.19527	23.2
231.21130	2.0
273.23273	3.9
273.25772	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.185
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
55.05496	7.6
57.07066	5.3
67.05508	20.6
69.03425	3.2
69.07067	12.9
69.57275	10.2
71.04969	3.8
79.05513	11.4
81.03432	2.5
81.07068	16.2
83.04964	4.1
83.08615	5.3
85.02914	5.5
85.06503	2.8
91.05494	23.1
93.07053	20.8
94.82693	1.9
95.04964	6.5
95.08620	20.5
97.06535	2.8
105.07040	34.3
107.08601	19.8
109.06527	24.2
109.10145	11.5
111.11629	2.2
115.05477	2.8
117.07009	7.4
119.04926	3.5
119.08578	30.1
121.06475	4.0
121.10170	13.1
121.37173	2.0
122.09637	2.1
123.04436	3.6
123.08052	2.1
123.11720	3.0
125.09588	2.0
127.03934	2.8
128.06241	4.0
129.06998	7.3
130.07773	4.3
131.08583	15.2
133.06517	10.8
133.10143	16.5
135.08104	8.9
135.11676	6.8
136.31697	2.2
137.06001	9.1
137.09618	3.2
141.07011	3.6
142.07826	8.8
143.08578	22.6
144.09286	4.7
145.10126	25.7
146.10873	2.0
147.04381	8.1
147.06831	3.7
147.07965	3.5
147.11707	18.7
149.09622	6.6
149.13263	3.9
153.01852	17.8
153.06931	3.7
154.07732	2.6
155.08566	14.7
156.09354	15.9
157.10136	32.8
158.07253	2.0
159.08064	6.4
159.11739	13.0
161.09583	6.9
161.13258	5.2
163.14825	2.3
165.06947	2.7
166.07796	3.1
167.08531	6.0
169.04979	2.4
169.10123	19.8
170.10890	7.0
171.07965	2.3
171.11705	27.4
172.12434	3.4
173.09651	23.3
173.13254	7.3
174.10449	3.9
175.11208	12.6
179.08542	5.1
180.09302	3.3
181.10081	8.9
182.10970	12.6
183.11710	11.6
184.12457	3.5
185.09668	4.6
185.13248	12.5
187.11205	5.0
187.14803	4.2
189.12772	16.1
189.16412	3.7
193.10161	1.9
195.11696	11.2
196.12445	6.9
197.13280	42.1
198.14034	5.5
199.11224	18.5
203.17894	3.4
207.11702	7.2
209.13258	3.0
211.11247	3.1
211.14828	16.5
212.15657	11.5
213.12773	5.4
213.16374	28.9
215.14307	9.8
215.17819	2.4
217.12225	4.7
221.89378	1.9
222.14064	6.8
225.12717	3.9
227.14301	13.3
229.15898	12.5
231.17484	6.1
237.16402	7.3
240.15042	7.3
255.13683	3.5
255.17436	59.1
256.17892	2.0
273.07587	14.4
273.15503	4.2
273.18503	100.0
273.21683	3.6
273.25665	18.8
293.71561	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1851
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
55.01882	1.7
55.05510	5.6
57.03425	1.3
57.07078	2.0
57.61714	1.2
61.80750	1.3
65.03951	1.4
67.05516	8.2
69.03455	2.9
69.07086	5.7
69.94727	6.0
71.04993	5.2
74.85942	1.3
79.05498	8.3
79.82695	1.6
81.03412	2.8
81.07073	9.6
83.04982	5.9
83.08636	3.8
85.02921	4.8
85.06559	5.1
86.85439	1.6
87.00846	1.4
91.05489	12.6
93.07035	10.0
95.04980	22.6
95.08609	8.2
95.66858	1.5
97.06559	2.9
99.08118	2.1
100.80298	1.2
103.05447	1.6
105.07037	18.2
107.08604	12.5
109.02891	1.4
109.06527	26.7
109.10153	8.9
111.04494	1.3
111.08086	5.7
117.07006	5.9
119.08587	27.3
121.06564	1.6
121.10147	5.6
123.08086	21.3
123.11736	2.7
125.09637	1.6
128.06262	2.4
129.07011	6.8
130.07843	2.4
131.08589	17.7
133.06499	2.1
133.10127	11.6
135.08061	11.0
135.11717	3.0
137.09602	7.4
141.07033	2.8
142.07761	8.0
143.08571	13.9
144.09410	2.8
145.06529	1.7
145.10138	43.8
147.08069	5.8
147.11687	17.9
149.09634	4.2
149.13303	2.1
151.07588	3.3
151.11276	3.4
155.08580	5.1
156.09384	11.0
157.10141	27.0
158.10934	5.7
159.08119	5.7
159.11731	14.8
161.09676	8.6
161.13300	3.4
163.11235	3.5
167.08647	2.9
169.10115	6.5
170.10954	4.2
171.11687	23.3
172.12473	4.2
173.09657	8.2
173.13275	28.3
174.10425	3.0
175.11166	12.4
175.14861	1.6
181.10191	2.6
182.10954	2.8
183.11723	3.8
185.09615	2.0
185.13295	10.8
187.06142	1.7
187.11209	14.1
187.14789	6.4
189.12756	20.3
189.16432	1.8
191.10570	1.5
191.14519	1.5
193.10405	1.4
195.11824	3.8
196.12544	1.5
197.13225	16.2
199.11163	11.3
199.14922	2.0
200.12097	1.4
201.12761	2.4
203.14401	4.3
207.11745	2.4
211.11255	1.5
211.14941	4.7
212.15709	2.8
213.12807	5.2
213.16389	18.0
214.13583	2.7
215.11192	1.7
215.14328	37.8
217.12230	11.7
222.14240	1.6
225.12807	1.9
227.18036	3.7
229.15952	4.0
231.13962	1.4
231.17447	15.6
237.16467	4.2
240.15186	3.3
243.13820	1.6
245.19099	2.9
255.17458	34.7
273.18604	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.0
55.01875	22.2
55.05510	5.0
55.93516	0.7
57.03445	8.6
58.08729	0.6
65.03936	1.1
67.05501	2.7
69.03416	0.7
69.07065	1.9
70.06589	0.7
70.23819	2.0
70.24176	0.7
71.04989	0.5
72.93793	1.0
73.02918	1.3
78.77351	0.5
79.05501	12.3
81.03403	0.9
81.07062	9.9
83.04986	2.6
83.08652	0.9
85.02924	3.8
90.94855	0.6
91.05493	10.5
93.07048	23.5
95.04968	2.0
95.08615	1.6
97.02914	0.6
97.10183	4.7
99.04471	2.2
99.08080	1.0
101.02386	1.8
105.07048	1.5
107.04941	2.0
107.08604	23.5
109.06528	2.2
111.04453	5.4
111.08073	0.7
115.05461	1.3
117.07031	6.4
119.04971	1.5
119.08614	2.1
121.06550	1.3
121.10146	0.7
125.09639	66.7
129.06949	0.7
135.08057	14.4
137.05994	1.1
137.09668	0.7
145.10139	0.8
147.04410	0.8
153.09114	100.0
155.18738	0.6
156.08107	2.7
157.10144	0.9
163.07542	1.5
171.10243	1.6
173.06044	1.1
181.08633	23.9
183.09245	3.6
195.08138	0.8
199.09782	4.2
201.09264	0.9
202.97920	2.7
206.97415	1.9
218.97331	1.0
220.98956	2.4
224.98366	0.9
227.08162	1.9
234.97041	1.2
252.97986	0.8
255.12277	1.8
272.98578	2.0
273.08533	1.9
273.13358	22.5
273.18335	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
55.01873	19.0
55.05511	4.5
55.93521	0.8
56.94298	0.5
56.96571	1.2
57.03437	9.0
57.61633	0.5
67.05509	4.7
69.07070	2.2
70.06581	0.6
71.04991	0.8
71.49069	0.7
72.93788	0.9
73.02906	1.8
74.25645	0.5
79.05072	0.9
79.05500	10.9
81.03419	0.8
81.07059	8.8
83.04993	2.6
83.08614	1.3
84.23585	0.6
85.02908	4.6
90.84451	0.6
91.05488	9.5
93.07048	19.3
95.04972	2.1
95.08628	0.9
97.06522	0.9
97.10170	5.3
98.97590	1.0
99.04446	1.6
99.08102	1.1
101.02392	1.6
104.17762	0.7
105.07038	1.3
107.04968	0.9
107.08601	22.4
109.06501	1.3
109.10183	0.8
111.04438	3.5
116.62280	0.5
117.07043	5.3
119.04949	1.5
119.08578	1.0
121.06509	1.2
123.04436	0.9
125.09636	63.0
126.10002	0.6
129.05511	0.7
129.06996	0.7
130.06512	0.6
133.06473	0.5
135.08055	13.9
137.05992	2.0
143.08562	0.8
147.04401	0.7
153.09111	100.0
154.06525	0.8
154.09470	0.6
156.08061	2.8
157.10121	0.8
159.54132	0.5
163.07538	1.2
171.10156	1.0
178.97908	0.6
181.08623	21.9
183.09181	3.9
194.84648	0.6
199.09760	5.5
202.97833	2.7
203.06967	0.6
206.97403	2.2
209.07056	0.6
213.09142	0.9
215.14275	0.7
218.97411	2.2
220.99028	1.4
224.98486	1.2
227.08150	2.2
228.99503	0.8
234.96895	0.8
236.98474	0.7
252.09305	1.4
252.97887	0.8
255.12291	1.5
272.98361	1.8
273.08392	2.4
273.13306	18.4
273.18323	1.3
279.46057	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0759
Annotation	Hydramacrophyllol B
Peak:m/z	Relative Intensity
51.02390	0.6
53.03941	2.4
55.01883	1.0
55.93519	1.9
62.18645	0.5
65.03918	1.9
65.43673	0.7
67.05511	1.3
68.99771	1.9
69.03436	0.7
69.58153	3.9
70.95868	1.2
72.93755	1.0
79.05496	1.2
81.03417	1.1
84.04508	0.7
84.12677	0.6
85.60509	0.6
91.05482	7.4
95.04973	25.2
98.21507	1.0
105.04503	1.3
105.07028	1.7
107.04961	33.7
111.00838	0.8
119.04946	100.0
120.05757	0.7
121.02862	5.8
123.04433	54.5
133.06474	6.0
135.04462	1.1
137.05908	1.1
139.03905	6.1
141.06985	0.8
145.06511	1.8
147.04411	13.1
149.02344	10.9
149.06012	1.0
151.03908	16.9
151.05115	0.9
153.06992	2.3
157.06497	1.0
161.05949	4.8
169.06511	0.8
171.04431	1.7
171.08003	0.7
179.03441	1.8
181.06470	2.8
185.05977	1.3
187.02820	0.9
187.07559	1.6
189.05482	1.9
197.06017	1.5
199.07571	1.8
202.97850	0.8
213.05440	0.8
215.07028	7.9
221.96074	1.3
225.95769	1.1
227.07039	1.2
229.93755	0.9
231.06506	1.2
241.08563	1.0
243.06540	9.0
245.08101	6.5
255.06468	4.6
258.99268	3.1
273.04559	1.0
273.07443	8.4
273.15601	0.8
273.23166	0.7
277.00327	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	8.1
55.01871	9.4
55.05504	9.0
55.45173	2.9
57.03429	16.0
65.03929	8.3
67.05511	47.3
68.99786	10.0
69.03087	3.3
69.03435	36.7
69.07063	7.8
71.01345	11.8
71.04995	3.7
71.26210	3.7
73.02909	3.1
76.02546	2.7
79.05473	6.7
81.03419	64.5
81.07053	11.7
83.04977	38.4
83.08614	3.3
85.02910	100.0
87.00828	38.7
91.05491	14.3
93.07041	12.1
95.04980	32.0
95.08604	11.4
97.02891	11.7
99.04453	12.9
101.02358	12.3
103.03928	10.8
105.07026	12.4
107.08569	11.3
109.02900	22.3
109.10167	9.2
111.00832	4.8
111.04409	17.9
113.02361	3.3
117.07019	5.7
119.08600	14.3
121.10142	8.1
123.04436	38.2
125.02368	7.0
127.03922	36.6
129.07014	4.8
131.08592	10.3
133.10101	9.0
135.08051	4.8
139.03932	6.1
141.05450	8.4
143.08585	4.9
145.10103	11.7
145.11194	3.1
147.08009	4.7
147.11670	4.6
149.09570	4.9
151.03883	13.8
157.10144	8.2
159.06575	3.4
159.11731	9.4
161.09644	5.7
169.04962	51.7
171.02921	13.7
171.11723	7.1
173.13199	8.0
185.13339	5.3
187.06053	36.2
187.07581	5.3
189.03940	25.8
189.12672	4.0
213.16359	4.3
215.17969	9.4
235.16768	2.8
255.04860	5.2
255.17389	7.0
255.21100	4.2
272.25626	3.5
273.15009	4.4
273.18497	26.7
273.22113	14.8
273.25964	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	273.0607
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65571	1.9
53.03955	9.8
53.04622	1.9
55.01891	9.5
55.05511	12.4
57.03447	17.7
57.07064	1.9
59.07771	2.0
61.02927	2.9
65.03941	9.3
67.05511	36.2
68.99786	9.2
69.03084	3.5
69.03436	38.1
70.42719	4.3
71.01363	15.2
71.05000	3.7
73.02921	6.1
75.04467	3.3
79.05504	4.9
81.03429	65.7
81.07071	4.4
83.01315	2.4
83.04987	34.7
85.02914	100.0
87.00838	35.3
87.67524	2.1
90.08694	1.8
91.05495	4.7
93.07056	3.7
95.04980	27.9
95.08629	5.8
97.02904	19.5
99.04477	14.2
101.02396	14.5
101.78472	1.9
103.03963	9.9
105.01926	2.2
105.07018	6.8
107.08571	2.2
109.02897	19.6
111.00818	5.2
111.04472	15.0
112.07556	3.6
113.02383	3.9
113.07938	3.8
117.07034	2.2
119.08606	2.8
121.10156	3.8
123.04443	33.1
123.11702	2.5
125.02368	7.8
127.03927	39.3
129.07002	3.2
131.08638	3.3
131.10883	2.0
135.08122	2.0
139.03940	5.1
141.05501	6.1
143.08575	3.3
145.10172	4.5
151.03952	10.4
157.10190	2.5
159.06555	2.5
167.12860	2.3
169.04973	41.7
171.02921	13.4
171.11719	2.4
187.06030	39.6
189.03967	25.8
213.16422	1.9
255.05023	4.8
273.06097	4.7
273.18512	8.5
273.21918	3.8
273.25714	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	272.1645
Annotation	Napropamide
Peak:m/z	Relative Intensity
53.03944	0.2
55.01868	0.4
55.05506	0.3
57.07069	0.3
58.06589	0.1
62.06067	0.1
67.05508	2.2
69.07067	1.2
69.92362	0.3
69.92746	0.3
73.38004	0.1
77.01272	0.1
79.05482	1.5
79.61057	0.1
80.73990	0.1
81.07059	2.3
85.06522	0.1
91.05478	2.2
93.07047	4.6
93.07644	0.2
95.04974	0.2
97.06503	0.1
98.09711	0.7
98.20865	0.2
103.05473	0.1
105.07021	1.9
107.08568	0.2
109.06531	0.8
115.05421	0.3
117.07021	4.1
119.08580	20.0
121.06477	0.4
121.10138	0.2
128.06206	1.1
129.06998	0.7
130.07765	0.2
131.08568	9.7
131.40486	0.1
133.06497	0.9
133.10149	0.9
141.06998	0.4
142.07787	1.4
143.08562	15.8
144.08034	0.2
144.09311	0.2
145.06488	2.3
145.07620	0.1
145.08951	0.2
145.10112	3.4
147.08067	0.6
154.07787	0.2
155.08560	3.3
156.08217	0.2
156.09381	0.5
157.10130	14.8
158.10828	0.3
159.08060	0.6
161.09677	0.2
167.08539	0.5
168.09378	0.6
169.10120	1.2
170.10941	0.4
171.08046	0.4
171.11682	2.4
173.05960	2.7
179.08582	0.4
180.09354	0.2
181.10097	0.8
183.11699	1.8
185.09669	0.4
185.13263	5.5
190.08617	1.2
194.10925	0.6
196.12410	0.2
197.13226	0.2
199.11110	0.3
199.14821	9.1
200.15134	0.1
209.13243	1.6
211.14931	0.2
226.15897	0.3
227.14297	1.7
236.14369	0.2
237.12772	0.4
254.15405	0.5
255.13795	5.6
272.16443	100.0
272.29422	1.4
273.16635	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1645
Annotation	Cocculine
Peak:m/z	Relative Intensity
53.03950	0.5
55.01867	0.4
55.05507	0.6
63.08270	0.3
67.05506	1.6
69.07068	0.8
69.84196	1.6
70.06596	1.6
73.34270	0.3
79.05484	1.4
81.07065	2.2
91.05473	1.9
93.07050	4.6
95.04965	0.5
98.09684	0.7
98.21394	0.4
103.05459	0.3
105.07040	1.5
109.06501	0.5
110.25439	0.3
117.07024	3.9
119.08579	18.5
120.08939	0.4
121.06493	0.5
127.41071	0.3
128.06239	0.7
129.06992	1.0
131.08560	10.0
133.06487	0.7
133.10146	0.8
142.07803	1.4
143.08559	15.3
145.06490	1.7
145.10101	3.6
147.08008	0.6
155.08557	3.8
157.10127	17.0
159.08044	0.5
167.08678	0.3
168.09352	0.6
169.10133	1.0
170.10905	0.4
171.11688	2.2
173.06001	2.2
179.08456	0.4
181.10135	0.7
183.11707	1.9
185.09592	0.4
185.13258	5.0
190.08582	1.2
194.10899	0.6
199.14841	8.9
209.13274	1.0
212.07936	1.0
217.10538	0.8
218.10770	1.3
227.14278	1.5
237.12738	0.5
240.07364	0.6
245.09175	0.4
254.15240	0.4
255.13789	5.5
272.16449	100.0
273.16873	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2421
Annotation	Axerophthene
Peak:m/z	Relative Intensity
53.03928	1.7
55.05518	9.3
55.84439	1.1
57.07066	4.1
57.18860	1.3
57.19304	1.1
58.23117	1.0
67.05508	20.1
69.07067	28.3
72.49659	1.0
79.05492	10.3
81.07059	42.1
81.96452	1.3
82.41326	1.0
83.08629	10.6
85.85696	1.1
91.05486	12.4
93.07048	30.8
95.08610	40.9
97.10171	2.7
98.20755	3.5
105.07034	31.5
107.08598	51.0
109.06506	1.8
109.10162	46.9
117.07029	3.8
119.08586	34.7
121.10147	42.1
121.11040	1.3
123.11710	16.4
129.06877	1.3
131.08572	9.0
133.10136	19.3
135.11697	15.8
137.13260	2.8
145.10130	18.9
147.11685	18.6
149.13268	30.2
157.10126	1.7
159.11694	20.9
161.13275	25.1
163.14836	12.8
173.13272	14.8
175.14838	15.2
177.16409	4.3
185.13190	1.5
187.14810	8.8
189.16374	5.9
201.16391	22.1
202.17198	3.3
203.17952	3.5
213.03464	1.1
213.16408	1.1
215.17937	22.6
222.09303	1.3
229.19507	4.5
229.26129	1.2
241.09793	2.9
271.05911	1.6
271.24207	100.0
272.24548	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2423
Annotation	Axerophthene
Peak:m/z	Relative Intensity
53.03942	2.4
55.05516	10.9
57.07069	3.7
67.05184	1.6
67.05511	24.0
69.07074	31.5
70.22160	3.2
71.08635	2.3
79.05495	12.5
81.03416	1.1
81.06600	2.2
81.07066	42.0
83.08624	10.8
90.85004	1.1
91.05482	16.2
93.06493	2.1
93.07053	36.3
93.63519	1.0
95.04964	1.8
95.08617	41.2
97.10152	2.1
98.20811	1.4
103.05473	1.1
103.12434	1.0
105.07038	33.5
107.08604	52.2
109.06527	1.8
109.10164	42.7
117.06998	4.2
119.08591	39.2
121.10148	42.2
123.11710	16.8
129.07018	1.3
131.04834	1.4
131.08563	10.1
133.09146	1.2
133.10147	19.6
135.11713	16.9
137.13257	4.2
143.08554	2.4
145.10127	19.2
147.11702	17.8
149.13274	28.0
157.10161	2.4
158.10991	1.6
158.12502	1.1
159.08055	2.2
159.11700	22.8
160.12515	1.2
161.11993	2.1
161.13274	25.9
163.14828	11.9
167.03413	1.4
171.11713	3.2
173.13281	17.2
175.14845	14.6
177.16399	3.2
180.35730	1.2
183.11778	1.5
185.13310	2.0
187.14822	10.0
189.16348	5.6
201.16397	21.5
202.17216	3.0
203.17970	2.6
213.16399	1.9
215.17966	26.9
217.10657	1.3
229.19528	4.6
243.21269	1.2
269.33365	1.1
271.05936	1.3
271.15179	4.1
271.20825	4.9
271.24216	100.0
272.29410	1.4
274.91684	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2421
Annotation	Axerophthene
Peak:m/z	Relative Intensity
53.03937	1.3
55.05511	17.0
56.56943	1.0
57.03433	1.3
57.06832	0.9
57.07076	9.1
67.05505	20.0
69.07069	34.9
70.06582	0.9
70.08773	2.6
71.08630	4.7
79.05067	1.4
79.05490	13.5
81.07057	46.2
83.04992	0.9
83.08620	11.2
86.06064	1.6
91.05472	15.9
93.07043	28.3
95.08611	43.1
97.10169	2.7
100.07608	1.6
103.12833	1.0
105.07030	46.9
107.08595	31.5
109.06507	1.4
109.10154	30.1
111.11749	2.0
115.05451	1.1
117.07011	10.2
119.08582	46.8
121.10143	22.7
123.11708	21.2
128.37360	0.9
129.06969	1.7
131.08563	15.0
133.10130	35.9
135.11690	11.4
137.13254	3.8
143.08563	3.6
144.09317	1.7
145.10132	24.9
146.10902	2.0
147.11690	43.3
149.09612	0.8
149.13263	16.1
155.08557	1.3
157.10103	3.8
158.10907	2.7
159.08057	3.9
159.11694	29.6
160.12436	2.2
161.13264	20.8
163.14839	7.3
171.11671	1.7
172.12320	1.1
173.09676	1.1
173.13271	20.1
174.13846	1.2
175.14830	14.6
177.16428	2.7
185.13277	2.2
186.13988	1.1
187.14818	26.0
189.16380	92.8
199.14909	1.2
201.16399	17.7
203.17961	2.0
209.03961	0.8
211.14607	1.0
213.16451	2.3
215.17972	25.9
228.18713	3.0
229.19521	5.7
243.21164	1.0
254.24768	4.4
271.05887	1.5
271.14377	2.4
271.17038	5.6
271.24203	100.0
272.25803	2.8
274.50180	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2422
Annotation	Axerophthene
Peak:m/z	Relative Intensity
53.03942	1.6
55.05518	9.4
57.07080	15.1
67.05505	19.7
69.06741	1.7
69.07076	24.6
71.08642	12.2
71.22872	2.0
79.05499	9.6
81.06602	1.9
81.07063	37.5
83.08639	8.5
84.30772	1.1
91.05487	10.0
93.07058	27.5
95.08618	33.5
97.10178	2.0
105.06334	2.0
105.07037	35.8
107.08605	36.3
109.10155	29.3
117.07031	4.1
119.08587	30.2
121.10151	20.6
123.11720	17.5
131.08594	10.0
133.10146	16.1
135.11697	15.4
137.13293	5.7
144.09323	1.5
145.10133	20.4
147.11707	21.0
149.13280	14.8
152.99884	1.4
157.95151	1.3
159.11717	22.6
161.13274	15.4
163.14821	6.9
171.11703	1.6
173.13283	15.6
175.14835	13.2
177.16463	3.3
187.14844	11.3
189.16400	4.9
201.16396	15.2
203.29692	1.2
215.17976	21.2
229.19507	3.3
239.33878	1.2
271.24225	100.0
271.27936	3.9
292.53607	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05100	2.2
55.05500	9.1
57.07077	21.6
67.05513	16.5
69.07071	19.2
69.34900	6.5
69.35306	10.4
71.08641	19.7
79.05489	5.0
81.07063	25.7
82.17843	2.0
83.08623	8.5
91.05477	10.4
93.07052	20.2
95.08610	27.0
105.07030	26.6
107.08607	26.5
109.10168	28.6
117.06992	3.8
119.08600	29.4
121.10145	17.7
123.11715	12.7
131.08571	11.6
133.10127	16.4
135.11693	16.4
137.13229	2.6
145.10152	20.0
147.11696	16.1
149.13278	12.9
159.11684	28.7
159.14832	2.8
161.13266	13.3
163.14832	6.7
173.13272	24.3
175.03809	2.3
175.14827	8.9
182.52808	2.1
187.14813	9.6
189.16373	4.4
195.31268	2.3
201.16432	17.2
215.17979	22.0
229.19611	5.2
271.20895	7.1
271.24219	100.0
271.28027	9.1
272.24637	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.242
Annotation	Axerophthene
Peak:m/z	Relative Intensity
53.03933	1.0
55.05511	9.5
57.07074	5.6
66.50643	0.7
67.05143	0.9
67.05505	15.3
69.07069	21.5
71.08621	2.8
71.29007	1.4
72.08922	0.8
73.16322	0.8
79.05495	6.2
81.07058	34.1
83.08623	8.8
83.74982	0.8
91.05481	7.1
93.06492	1.4
93.07047	22.7
95.08613	30.9
97.10172	1.7
105.06301	1.4
105.07027	27.3
107.08598	30.1
109.10158	29.0
117.07013	3.3
117.44579	0.8
119.08588	29.4
121.09336	1.4
121.10147	19.0
121.11030	0.9
123.11713	15.5
130.07800	1.0
130.51430	0.8
131.08569	8.5
133.10123	15.0
135.11694	15.6
137.13277	3.8
143.08557	1.2
144.09386	1.8
145.10130	17.8
147.11690	21.0
149.13263	14.2
157.10109	1.7
158.10892	1.1
159.11694	24.7
159.15695	0.8
161.13269	14.9
163.14809	9.3
171.11681	1.2
173.13263	18.7
175.14847	10.2
177.16385	3.0
185.13280	0.8
187.14844	9.0
189.16382	5.6
201.16380	13.9
203.17972	1.3
213.16440	1.2
215.17961	24.1
229.19489	5.2
243.21327	0.7
271.24216	100.0
271.28268	6.1
272.24557	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01641	1.0
53.03952	1.2
55.05509	7.9
57.07060	3.0
64.38837	1.0
64.79005	1.0
64.92088	1.0
67.05505	13.5
69.07066	20.8
71.08612	1.4
79.05488	7.1
81.07060	33.8
83.08628	7.6
91.05481	6.9
93.07051	19.0
95.08613	28.1
96.56125	1.2
97.10162	2.7
105.07033	25.4
107.07880	1.8
107.08599	27.0
109.10159	27.1
117.07011	4.1
119.06013	1.2
119.07809	2.0
119.08590	25.1
121.10154	18.7
123.11706	13.7
131.08595	11.5
133.10141	15.8
135.11700	12.3
137.13278	2.6
145.10136	17.2
147.11688	17.9
149.13257	13.1
157.10107	1.4
159.11688	19.2
161.13272	15.3
163.14818	10.4
173.13261	14.1
175.14815	10.7
177.16376	2.7
187.14783	7.9
189.16452	5.2
201.16367	14.3
203.17953	1.4
214.22801	1.1
215.17966	21.8
229.19572	4.7
271.24203	100.0
271.28677	3.0
272.24738	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.5
54.99651	0.8
55.05511	10.9
57.06833	1.3
57.07077	16.7
58.07402	3.2
65.03935	1.3
67.05186	1.5
67.05506	21.0
69.03448	0.9
69.07069	27.2
69.38137	6.1
71.08632	12.4
72.08949	2.8
79.05482	9.9
81.07057	35.9
83.08614	12.4
91.05478	9.4
93.06491	1.6
93.07046	23.5
95.04933	1.1
95.08610	36.1
97.10190	1.2
105.07035	36.2
107.07880	2.0
107.08597	32.6
109.06522	1.6
109.10159	44.6
111.11751	1.2
117.07027	3.5
119.08590	37.8
121.10143	21.3
123.11713	22.0
129.06979	1.8
131.08580	10.3
132.01994	0.9
133.10146	19.2
135.11696	18.7
137.13300	4.9
143.08572	1.4
144.09343	1.6
145.10118	19.6
146.10931	1.3
147.11691	23.6
149.13251	15.2
151.11140	1.0
157.10179	1.9
158.10944	1.4
158.15379	6.3
159.11699	25.9
159.15779	5.2
161.13268	16.5
163.14816	8.0
169.09946	1.1
173.13252	16.8
175.14809	13.3
177.16371	4.5
185.13208	1.4
187.14810	11.9
187.22606	1.1
189.16374	4.7
197.13235	1.2
199.14706	1.3
201.12885	1.0
201.16405	15.3
203.17969	1.0
213.16354	1.1
215.14529	1.8
215.17944	23.3
215.19940	1.7
228.18752	1.1
229.19611	4.4
243.21028	1.5
271.20755	7.2
271.24207	100.0
271.28253	51.7
272.24457	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2419
Annotation	Axerophthene
Peak:m/z	Relative Intensity
55.05509	5.7
55.58608	0.6
55.80406	0.5
56.39679	0.6
56.77389	0.6
57.07073	3.0
61.91401	0.6
62.52589	0.5
67.05506	6.6
69.07070	17.5
70.99321	1.3
71.08624	0.8
79.05496	5.0
81.06591	1.1
81.07053	17.1
83.08618	5.6
91.05473	5.8
93.07049	11.8
95.08608	22.6
97.10168	1.5
105.07030	16.0
107.08591	19.5
109.06496	0.7
109.10149	13.0
111.11677	0.9
117.07008	2.1
119.08584	16.5
121.10141	13.4
123.11717	9.0
129.06982	0.8
130.07748	0.8
131.08568	8.6
133.10135	13.4
134.94435	0.6
135.11670	6.8
137.13245	2.1
143.08521	0.8
144.09288	0.9
145.09065	1.2
145.10124	13.4
147.11673	10.2
149.13225	5.7
151.11174	0.6
157.10129	0.8
158.10921	1.0
159.11684	17.7
160.12483	0.9
161.13246	8.4
163.14821	5.8
173.13271	15.4
175.14813	6.7
177.16377	4.5
185.13368	0.8
187.14824	7.2
189.16341	2.8
199.14827	0.6
201.16397	8.6
203.17964	1.2
213.16310	1.0
215.17957	28.0
216.18443	0.7
223.93547	0.7
228.18695	0.9
229.19559	3.5
243.21269	0.8
271.24203	100.0
272.24573	1.2
278.82196	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1443
Annotation	Quinolactacin A
Peak:m/z	Relative Intensity
51.30358	0.8
55.05503	2.8
56.05014	1.0
57.07071	1.0
58.97276	0.8
59.43657	0.8
61.01693	0.7
61.83190	0.8
64.31194	0.7
65.03950	0.8
67.05502	4.5
69.07070	7.0
70.22638	0.8
71.24249	1.3
79.05493	6.6
81.05802	1.2
81.07058	10.2
83.04996	1.1
83.08595	1.9
91.05492	5.4
93.05796	1.4
93.06548	1.1
93.07047	9.1
94.06551	2.3
95.04971	1.7
95.08604	10.7
96.08133	3.4
97.06448	0.9
105.07030	7.5
106.06533	2.5
107.08599	9.4
108.08125	13.7
109.10152	8.6
117.07063	1.1
119.08582	7.6
120.08109	1.0
121.10143	7.3
122.09676	2.3
123.11711	3.4
128.06253	0.9
128.66243	0.9
129.07013	1.6
130.06546	0.9
131.08568	3.2
132.08058	0.8
133.10172	5.4
134.05992	2.6
135.11694	3.1
136.07579	1.4
142.07814	0.9
143.08598	1.4
144.08128	1.0
145.10141	4.5
146.09634	1.2
147.11708	5.4
148.07584	1.1
149.13266	5.3
155.08502	0.9
157.10107	3.1
158.09650	1.1
159.08104	1.5
159.09177	1.2
159.11662	5.4
161.13255	5.1
163.14827	2.7
168.08066	5.1
168.09322	1.1
169.08875	5.3
170.09642	1.6
172.07582	2.0
173.03889	1.0
173.13313	3.8
174.09212	2.1
175.14894	3.7
180.08150	1.1
181.10139	2.1
182.09645	2.9
183.08037	1.3
183.10420	7.3
183.11716	1.3
185.10741	1.7
185.13289	1.2
186.09160	1.8
186.11514	1.7
187.14836	2.7
189.16434	3.4
193.08832	0.9
194.09729	1.0
196.07581	4.8
197.08357	12.7
198.09212	2.0
198.12791	8.7
199.08661	9.7
199.12292	1.6
200.13106	1.9
201.12938	0.9
201.16405	7.3
208.11284	1.3
210.09169	4.3
210.11456	0.8
211.09947	21.1
212.09467	1.8
213.10242	18.1
214.10995	5.1
215.15454	2.8
215.17943	5.3
225.13837	1.5
226.12283	41.1
227.08307	1.6
227.11774	22.9
228.12570	30.6
229.19496	1.4
239.11801	1.0
241.09744	1.9
241.13310	1.3
242.10559	1.7
243.14960	28.6
253.13396	5.2
253.19565	1.5
254.11732	2.1
255.11301	21.8
256.12076	27.0
267.08670	0.9
271.14423	100.0
271.20795	2.1
271.24182	25.6
272.14835	1.2
272.25833	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	1.2
53.00313	5.3
53.03957	1.5
55.01885	7.4
55.05516	3.4
57.03444	16.5
67.05509	10.8
69.07063	3.6
69.43395	2.4
69.43803	5.2
71.01356	2.5
73.02905	2.2
79.05499	49.2
81.03410	3.4
81.07060	13.3
83.08615	1.6
91.05492	14.2
93.07047	6.4
95.04975	3.9
95.08617	10.9
97.02905	1.3
97.06516	1.5
99.00825	22.9
103.05450	2.8
105.07039	100.0
107.04981	2.8
107.08610	13.2
109.02922	2.0
109.06525	3.5
109.10172	4.2
115.03980	1.0
115.05479	3.3
117.07018	1.7
119.08574	2.9
121.06512	2.7
121.10174	2.7
123.08081	15.9
123.11735	1.6
131.08597	1.4
133.06505	37.0
133.10129	1.9
135.08054	4.5
135.11740	1.6
137.13225	1.2
143.08585	1.0
145.10136	1.9
147.11627	1.3
151.07559	55.2
157.15637	1.0
159.11736	3.0
161.13301	1.5
163.14735	1.1
169.08676	1.7
169.10008	1.5
173.13203	1.8
179.07086	7.5
194.07495	1.0
197.08168	1.5
215.09192	2.4
253.10304	1.2
253.19624	1.0
270.31528	1.1
271.11798	24.9
271.14807	2.2
271.20596	5.0
271.24078	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	271.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	0.2
53.03951	0.2
55.01872	1.3
55.05508	0.5
57.03440	0.3
57.07066	0.2
65.03946	0.3
67.05497	0.6
69.03424	0.4
69.07053	0.7
69.71548	0.2
71.04992	0.4
79.05482	1.0
81.03374	0.4
81.07051	1.2
83.04960	0.4
83.08568	0.2
85.02871	0.2
91.05478	2.4
93.07030	0.8
95.04955	0.7
95.08619	1.1
97.02875	0.3
97.06542	0.2
103.05459	0.3
105.07037	1.6
106.35977	0.2
107.04975	0.4
107.08574	1.0
109.02835	0.3
109.10140	0.8
115.05435	0.8
117.07019	0.3
118.04163	0.4
119.04943	1.3
119.08566	1.0
121.06497	0.3
121.10126	0.6
122.03634	0.4
123.04440	2.3
128.06201	0.5
129.07016	0.8
131.04880	0.3
131.08537	0.6
131.32263	0.2
133.06474	0.5
133.10188	1.0
135.04427	0.2
137.02370	0.3
137.05988	1.5
141.06999	2.1
143.08577	0.4
145.06496	0.3
145.10129	0.6
146.03622	2.2
147.04411	12.1
147.11650	0.4
148.04849	0.2
149.05988	0.4
151.11185	0.3
152.06186	0.9
153.06989	3.8
154.07800	1.3
155.07298	0.2
155.08543	3.5
157.06465	0.4
159.08058	0.4
159.11717	0.5
161.05980	5.1
161.13271	0.4
162.06746	0.7
165.07008	25.2
166.07631	0.5
167.08560	0.5
168.05760	1.9
169.06459	1.2
169.10078	0.5
171.11708	0.3
173.06015	0.5
173.13301	0.6
174.06677	0.2
175.14853	0.3
176.10683	0.4
177.07004	0.6
178.07767	0.3
179.08548	0.7
181.06494	2.8
182.07262	3.5
183.08055	6.7
185.06003	1.0
185.13319	0.3
187.07468	0.5
193.06470	9.8
194.07292	1.6
195.08044	0.7
196.05202	1.3
197.05969	2.1
197.09602	0.9
198.06754	0.3
199.07596	0.8
200.08315	0.8
201.09229	0.3
209.06003	0.8
210.06769	6.6
211.07552	22.6
211.14801	0.4
212.08234	0.5
213.05446	2.4
215.10765	0.5
215.17754	0.3
220.05254	0.3
221.05983	10.4
222.06511	0.4
223.07507	0.3
224.08412	0.3
225.05580	0.3
225.09116	7.1
226.06227	0.3
226.09538	0.2
227.06932	1.7
228.07788	2.3
228.93510	0.3
237.05396	0.3
238.06281	2.9
239.07039	18.0
240.07802	2.2
241.04941	1.9
241.08704	0.3
242.05467	0.3
242.09378	0.3
243.06407	0.4
243.10184	1.1
253.08615	8.6
253.15794	0.3
254.09241	0.3
255.06517	0.9
256.07294	7.7
271.09644	100.0
271.24121	1.0
272.10083	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0967
Annotation	Vignafuran
Peak:m/z	Relative Intensity
53.00304	0.2
53.03951	0.2
55.01872	1.3
55.05508	0.5
57.03440	0.3
57.07066	0.2
65.03946	0.3
67.05497	0.6
69.03424	0.4
69.07053	0.7
69.71548	0.2
71.04992	0.4
79.05482	1.0
81.03374	0.4
81.07051	1.2
83.04960	0.4
83.08568	0.2
85.02871	0.2
91.05478	2.4
93.07030	0.8
95.04955	0.7
95.08619	1.1
97.02875	0.3
97.06542	0.2
103.05459	0.3
105.07037	1.6
106.35977	0.2
107.04975	0.4
107.08574	1.0
109.02835	0.3
109.10140	0.8
115.05435	0.8
117.07019	0.3
118.04163	0.4
119.04943	1.3
119.08566	1.0
121.06497	0.3
121.10126	0.6
122.03634	0.4
123.04440	2.3
128.06201	0.5
129.07016	0.8
131.04880	0.3
131.08537	0.6
131.32263	0.2
133.06474	0.5
133.10188	1.0
135.04427	0.2
137.02370	0.3
137.05988	1.5
141.06999	2.1
143.08577	0.4
145.06496	0.3
145.10129	0.6
146.03622	2.2
147.04411	12.1
147.11650	0.4
148.04849	0.2
149.05988	0.4
151.11185	0.3
152.06186	0.9
153.06989	3.8
154.07800	1.3
155.07298	0.2
155.08543	3.5
157.06465	0.4
159.08058	0.4
159.11717	0.5
161.05980	5.1
161.13271	0.4
162.06746	0.7
165.07008	25.2
166.07631	0.5
167.08560	0.5
168.05760	1.9
169.06459	1.2
169.10078	0.5
171.11708	0.3
173.06015	0.5
173.13301	0.6
174.06677	0.2
175.14853	0.3
176.10683	0.4
177.07004	0.6
178.07767	0.3
179.08548	0.7
181.06494	2.8
182.07262	3.5
183.08055	6.7
185.06003	1.0
185.13319	0.3
187.07468	0.5
193.06470	9.8
194.07292	1.6
195.08044	0.7
196.05202	1.3
197.05969	2.1
197.09602	0.9
198.06754	0.3
199.07596	0.8
200.08315	0.8
201.09229	0.3
209.06003	0.8
210.06769	6.6
211.07552	22.6
211.14801	0.4
212.08234	0.5
213.05446	2.4
215.10765	0.5
215.17754	0.3
220.05254	0.3
221.05983	10.4
222.06511	0.4
223.07507	0.3
224.08412	0.3
225.05580	0.3
225.09116	7.1
226.06227	0.3
226.09538	0.2
227.06932	1.7
228.07788	2.3
228.93510	0.3
237.05396	0.3
238.06281	2.9
239.07039	18.0
240.07802	2.2
241.04941	1.9
241.08704	0.3
242.05467	0.3
242.09378	0.3
243.06407	0.4
243.10184	1.1
253.08615	8.6
253.15794	0.3
254.09241	0.3
255.06517	0.9
256.07294	7.7
271.09644	100.0
271.24121	1.0
272.10083	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.1491
Annotation	Strobamine
Peak:m/z	Relative Intensity
51.20509	0.3
52.75186	0.3
55.05508	0.6
58.32657	0.2
58.41590	0.3
60.81379	0.3
67.05509	2.4
68.92914	0.2
69.07075	1.5
70.20415	1.1
72.62030	0.3
79.05509	1.7
81.07057	3.9
82.07392	0.3
91.05495	1.1
91.37524	0.3
93.07033	0.6
94.07327	0.3
95.08585	0.8
96.08144	0.5
96.08908	0.3
98.09680	1.2
105.07044	1.7
105.84419	0.3
106.07430	0.4
107.08599	0.5
109.06501	0.7
109.10177	0.4
115.05460	1.7
117.07026	23.6
119.08584	1.9
120.08924	0.5
121.10169	0.6
124.07605	0.8
128.06200	0.4
129.07004	1.1
131.08591	1.6
133.06544	0.3
134.10445	0.4
136.07584	1.1
141.06984	0.5
143.08575	5.1
144.08951	0.3
145.06499	3.5
145.10149	0.4
146.10533	0.3
147.08034	0.4
155.08549	6.0
156.09346	0.3
157.06522	0.6
157.10136	1.4
159.08084	1.0
159.11638	0.4
160.07599	1.0
160.12051	0.7
165.06990	0.3
166.07819	0.4
168.08092	0.4
169.06424	0.4
169.10138	0.8
171.04471	0.7
171.08037	0.9
171.11702	0.6
172.07578	1.2
173.05997	8.6
173.08226	0.4
179.08562	0.5
181.10117	1.3
183.11670	1.7
185.06018	3.0
188.07027	0.4
192.09352	0.8
197.05963	1.0
197.13284	2.8
200.15207	0.4
207.11633	1.4
209.06042	0.3
209.13358	0.5
214.16612	0.9
224.10748	0.4
224.14342	0.6
225.12790	1.9
242.15453	2.0
252.13829	2.1
253.12337	0.8
270.14908	100.0
270.22879	4.8
271.15305	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.1488
Annotation	Strobamine
Peak:m/z	Relative Intensity
51.02375	0.1
53.03942	0.1
55.01873	0.2
55.05508	0.2
56.05037	0.1
59.77633	0.1
61.40059	0.0
61.95546	0.0
65.03942	0.1
65.07501	0.0
66.13190	0.0
67.05499	0.8
68.05025	0.1
69.07067	0.1
77.03933	0.1
79.05492	0.6
80.05014	0.1
81.03390	0.1
81.07032	0.3
82.06586	0.1
91.05476	2.1
93.07022	0.3
94.68033	0.1
95.04962	0.1
96.08129	0.9
103.05449	0.2
105.07025	2.5
107.04951	0.1
107.08550	0.1
108.08131	0.1
115.05448	1.3
115.06264	0.1
116.06240	0.2
117.07013	10.5
118.06545	0.1
118.07335	0.1
119.04942	0.2
119.08575	8.4
121.06523	0.1
124.03960	0.3
124.07592	0.6
128.06203	0.9
129.06993	1.0
130.07784	1.8
131.07368	0.1
131.08560	1.5
132.05753	0.1
132.07993	0.1
133.06490	0.6
133.10130	0.2
136.07574	0.9
141.07007	0.2
142.07776	0.2
143.08554	4.8
144.08080	0.1
145.06483	1.8
145.08890	2.1
145.10124	9.3
146.06020	0.1
146.07170	0.1
146.09624	0.2
147.08040	2.1
147.11752	0.1
152.17914	0.1
153.05768	0.1
153.06927	0.3
154.07808	0.1
155.05988	0.1
155.07404	0.1
155.08545	3.2
156.09343	0.3
157.06526	0.2
157.08858	0.3
157.10141	0.7
158.07272	0.8
158.09592	0.1
159.08067	0.6
159.10341	0.1
160.07619	0.1
160.11212	1.9
164.07095	0.1
165.06950	0.1
166.07799	0.1
167.08595	0.3
168.08049	0.2
168.09375	0.3
169.10104	1.1
170.09622	0.6
171.08054	0.8
171.11760	0.1
172.07689	0.1
172.11234	0.4
173.05989	4.4
173.08345	0.9
173.09642	1.4
174.09175	0.2
179.08551	0.4
180.09406	0.1
181.08711	0.1
181.10139	0.8
182.09613	0.1
182.10951	0.8
183.06789	0.4
183.08156	0.2
183.11687	1.3
184.07513	0.1
185.09647	0.2
186.05484	0.1
186.09177	0.1
187.07552	0.2
188.07106	0.1
188.10706	3.2
190.08626	0.3
191.08804	0.1
192.09308	0.9
193.10228	0.1
194.10933	0.2
195.08023	0.1
195.11685	0.2
196.07556	0.8
196.09160	0.1
196.11079	0.1
197.09630	0.2
197.13246	2.1
198.09138	0.3
199.07538	0.4
199.14763	0.2
200.10687	0.6
200.80519	0.1
201.07704	0.3
207.11693	1.2
209.13306	0.2
210.08926	0.2
210.10425	0.3
211.07523	0.2
214.08618	0.5
214.15904	0.6
215.09241	0.1
216.10188	82.2
217.10545	0.8
224.10645	0.1
224.14354	0.2
225.12741	1.9
227.14368	0.1
228.10190	0.4
229.10994	0.3
235.11203	0.1
236.10632	0.1
237.11467	0.6
242.11682	0.1
242.15425	0.8
242.19102	0.1
250.12262	0.1
252.13837	0.8
253.12222	1.8
270.14868	100.0
271.15201	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.1126
Annotation	Apohaemanthamine
Peak:m/z	Relative Intensity
70.06581	0.3
70.77341	0.5
72.08141	0.4
79.05481	0.3
81.07037	0.2
90.08355	0.2
90.94916	0.2
91.05482	1.7
93.07008	0.2
95.04928	0.3
103.05466	0.6
107.04967	4.0
110.07172	0.2
112.75953	0.2
119.04948	1.3
122.06004	0.3
123.04421	0.4
130.06535	0.5
131.04945	1.1
135.04475	0.2
137.05981	3.6
145.05223	0.3
146.05991	0.8
147.04466	0.3
148.07573	0.6
149.05965	0.7
153.47260	0.2
158.05983	0.3
159.06691	0.2
160.05226	0.5
162.05508	1.6
163.06294	2.7
164.07019	0.4
165.06915	0.3
166.40686	0.2
176.07031	0.4
177.07915	0.2
178.07791	0.3
179.08574	0.9
181.06491	0.4
182.07393	0.2
183.08034	0.3
189.06990	0.4
195.08032	0.6
199.07564	0.3
207.08058	3.5
208.13461	1.2
210.06824	0.3
212.04585	0.3
223.07576	0.4
224.07420	0.3
224.10684	0.3
226.08917	0.2
227.07007	1.3
227.09254	0.3
235.07483	1.0
252.10072	0.7
254.08101	0.3
255.06476	0.7
268.09769	0.5
270.11255	100.0
271.11801	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2265
Annotation	Anhydrovitamin A1
Peak:m/z	Relative Intensity
53.03950	1.7
55.05516	8.7
57.03411	1.5
57.07058	2.9
67.05507	21.9
69.07072	29.0
69.15506	4.2
69.15920	8.9
79.05502	11.9
81.06601	2.2
81.07063	34.7
83.08630	7.7
91.05486	13.6
91.95845	1.3
93.06487	2.1
93.07045	25.3
95.04959	1.4
95.08607	29.5
96.13804	1.4
97.06539	2.2
97.10163	3.2
103.87448	1.3
105.07036	32.8
107.08587	24.6
109.10156	17.5
113.91211	1.2
117.07016	6.4
119.07790	2.4
119.08580	24.2
121.10149	15.3
123.11709	7.4
128.06238	2.6
129.06990	8.6
131.08583	16.6
133.07596	1.5
133.10124	12.4
135.11703	7.3
141.06982	1.9
142.07794	6.6
143.08562	21.7
144.09380	6.9
145.10120	18.7
147.11694	12.9
149.13298	6.9
155.08583	3.4
156.09364	4.3
157.10126	37.2
158.10826	3.5
159.11699	99.6
161.13252	8.6
163.14778	2.0
169.10161	4.9
170.10922	1.6
171.11685	22.0
173.13283	15.2
175.14796	3.0
183.11665	2.1
185.13242	14.4
187.14833	7.0
197.13393	1.9
199.14839	14.4
200.15581	6.9
201.16389	5.7
211.14848	3.0
213.16377	27.1
227.17946	8.2
241.19359	1.9
269.19501	3.7
269.22656	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2263
Annotation	Anhydrovitamin A1
Peak:m/z	Relative Intensity
55.05508	11.8
57.03434	2.5
57.07059	6.7
60.93911	2.1
65.78758	1.9
67.05508	9.6
69.07069	16.2
71.08627	2.3
71.49462	2.5
79.05500	9.5
81.07056	18.3
83.06155	2.1
83.08617	8.1
91.05473	8.5
93.07059	13.6
95.08591	11.8
97.10142	3.4
105.07043	16.1
107.08614	13.4
109.10152	5.8
117.06995	3.4
119.08551	14.7
121.10135	9.8
123.11691	5.8
128.06241	4.6
129.07014	11.3
131.08588	16.5
133.10141	14.1
135.11693	3.2
138.73015	2.1
142.07777	8.5
143.08566	20.7
145.10115	21.2
147.11705	11.2
149.13272	2.2
154.09189	2.4
155.08582	2.8
156.09332	5.8
157.10120	23.9
159.11679	11.8
161.13167	4.5
169.10117	6.3
170.10875	3.0
171.11697	28.8
173.13292	7.8
174.51448	2.0
183.11716	9.3
184.12517	3.6
185.13281	25.0
187.14798	6.6
197.13240	4.6
197.88255	2.0
198.13960	2.8
199.14853	18.1
211.14799	20.3
212.15599	2.7
213.16365	17.6
226.17157	28.6
227.17992	19.7
269.22641	100.0
269.26785	4.8
294.12552	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	269.2263
Annotation	Anhydrovitamin A1
Peak:m/z	Relative Intensity
53.03936	1.4
55.05511	8.4
57.07071	1.6
65.03929	0.9
67.05508	9.1
69.07078	9.7
70.66650	0.7
71.25452	1.5
79.05502	7.0
81.07057	20.7
83.08622	3.6
91.05484	10.0
93.07051	14.0
95.04927	0.8
95.08610	15.9
97.10161	2.3
105.07034	19.7
107.08596	13.7
109.10162	11.1
117.07024	5.1
119.08587	19.5
121.10153	11.5
123.11716	6.2
128.06248	1.6
129.07004	5.3
131.07600	1.3
131.08580	18.9
133.10135	10.5
135.11687	6.1
141.07025	0.8
142.07762	2.4
143.08572	12.5
144.09367	1.8
145.10133	16.4
147.11688	13.2
149.13271	3.6
155.08537	1.9
156.09322	2.5
157.10139	14.1
158.10892	1.5
159.11700	21.4
161.13268	7.9
163.14815	1.4
169.10094	1.8
171.11681	12.8
173.13258	19.8
175.14816	7.2
183.11649	3.0
184.12378	1.3
185.13274	9.4
186.14125	0.8
187.14848	5.9
189.16411	1.4
197.13219	2.7
199.14839	11.5
200.15575	1.4
201.16356	1.4
209.13129	0.9
211.14732	1.5
213.16397	16.9
221.29979	0.8
225.16469	1.1
226.17122	1.4
227.17935	7.1
241.19502	1.3
269.22650	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.8
53.42753	0.7
55.05516	7.9
57.03422	1.4
57.07067	2.5
65.03947	0.7
67.05504	16.1
68.40466	0.6
69.06737	1.1
69.07072	15.1
69.25430	2.4
69.25858	2.6
71.08623	0.9
76.47135	0.6
77.03929	0.6
79.05496	8.4
81.06599	1.4
81.07059	24.9
83.08611	4.9
89.75443	0.6
91.05479	11.2
93.07047	19.0
95.04939	1.4
95.08608	19.6
97.06512	0.9
97.10153	1.5
105.07037	25.3
107.08600	18.4
109.10157	17.6
111.08149	0.7
115.05450	1.1
116.06253	0.9
117.07021	5.0
119.08590	23.3
121.10149	13.4
123.11704	6.6
128.06181	2.1
129.07008	5.4
130.07806	1.7
131.08572	17.8
133.10129	13.1
135.11713	6.5
137.13235	1.0
141.06960	0.9
142.07785	3.3
143.07510	1.2
143.08571	14.8
144.09303	2.4
145.10135	19.8
147.08064	0.8
147.11696	14.5
149.13242	5.7
155.08592	1.3
156.09344	3.0
157.08827	0.7
157.10133	17.5
158.10938	1.8
159.11697	24.5
161.13266	11.6
163.14839	1.4
169.10126	2.0
170.10930	1.3
171.11694	16.8
173.13278	19.0
175.14847	6.3
183.11702	2.4
184.12486	0.9
185.13255	10.1
186.14049	1.0
187.14842	5.5
189.16351	1.4
196.12589	0.7
197.13293	1.2
198.13998	0.8
199.14857	12.3
200.15492	1.2
201.16328	1.7
211.14871	1.8
213.16399	18.4
219.13974	0.8
225.16049	0.7
226.17131	1.4
227.17932	8.0
241.19513	1.5
269.22647	100.0
270.22980	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2114
Annotation	15-Methoxyisodauc-3-ene-1beta,5alpha-diol
Peak:m/z	Relative Intensity
53.03952	3.1
55.01865	6.9
55.05514	46.1
57.03429	3.8
57.07072	4.6
59.05015	2.5
65.03943	1.9
66.70531	1.5
67.05509	73.6
69.03431	4.2
69.07072	42.3
70.82108	4.3
71.05003	13.0
71.08619	1.6
77.03939	1.9
79.05498	37.3
81.07063	96.4
83.05000	8.5
83.08622	24.2
85.06526	11.4
89.67971	1.8
91.05488	18.4
93.07050	44.0
95.04980	4.4
95.08614	100.0
97.06535	11.6
97.10175	25.0
99.08086	3.3
105.07027	14.3
107.05009	1.9
107.08603	30.2
109.06534	3.4
109.10163	66.8
111.08096	4.9
111.11755	2.9
117.07040	4.6
119.08581	13.0
121.06491	2.1
121.09326	3.0
121.10149	30.5
121.10947	2.7
123.08086	2.8
123.11700	20.4
125.09649	13.8
129.07011	2.5
129.20766	1.8
131.08585	11.2
131.77307	1.7
133.10146	19.8
135.08087	2.6
135.11703	15.7
137.09607	7.9
137.13242	4.0
139.11139	8.9
143.08600	4.2
145.10139	13.2
147.11716	6.7
149.13271	10.9
151.11218	5.4
153.12787	2.1
154.33273	1.8
157.10130	4.3
159.11703	9.4
161.13275	5.2
163.14841	1.8
167.10539	1.7
171.11633	4.0
171.13864	1.7
173.11803	2.4
173.13301	7.5
175.14960	3.2
177.12706	2.8
181.12108	2.7
185.13293	4.7
187.13326	3.4
187.14838	3.9
189.16408	2.7
191.14339	2.0
191.17999	4.0
195.13818	3.8
199.14812	5.1
203.12874	2.1
205.19601	2.5
209.18948	2.1
213.16457	6.6
215.17982	17.5
223.20526	2.0
227.17888	2.0
233.18996	21.8
241.08708	1.7
251.20071	67.2
269.08081	4.7
269.13531	3.0
269.18829	3.2
269.21072	9.1
269.22763	14.2
270.08401	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	4.3
55.05518	16.6
57.03436	6.1
57.51735	3.5
60.20403	3.1
67.05508	93.5
69.06788	2.7
69.07075	28.1
74.06622	3.4
79.05495	36.8
81.07062	94.0
83.04965	3.8
83.08632	18.9
85.06542	4.1
91.05495	33.7
93.07050	52.5
95.08608	100.0
97.06535	30.8
97.10166	6.2
99.80538	3.4
105.07021	17.7
107.08607	33.1
109.10164	46.7
111.08070	21.6
113.51752	3.6
117.06976	4.0
119.08568	22.0
121.10153	52.7
123.08019	5.5
123.11684	14.7
125.09635	4.5
131.08578	8.4
133.10147	40.1
135.11702	34.6
137.09564	6.9
145.10118	8.6
147.11690	11.2
149.13249	13.9
149.30000	3.3
151.11174	10.0
159.11656	9.8
173.13303	8.6
187.14758	5.9
189.34993	3.3
215.17943	33.5
233.19023	14.5
251.20091	55.1
269.18631	4.8
269.22751	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	269.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.1
55.05508	26.2
57.03429	4.0
67.05505	98.5
69.07066	22.8
70.40943	6.1
70.41293	9.7
71.04952	3.9
79.05486	37.5
81.07059	93.9
83.08619	17.3
85.06526	3.5
91.05495	29.6
93.07042	51.0
95.08612	100.0
97.06539	30.7
97.10149	8.0
104.13570	3.0
105.07037	14.7
107.08588	34.0
109.10161	36.9
111.08069	19.7
112.98379	3.0
119.08600	21.8
121.10149	46.8
123.11684	16.3
131.08546	12.1
133.10129	42.3
135.11697	31.7
137.09616	9.6
137.13242	5.3
142.18121	3.4
145.10143	8.5
147.11678	11.9
149.13246	12.8
151.11203	7.0
159.11687	9.8
173.13356	7.2
187.14772	5.2
191.29900	3.6
207.62773	3.8
213.16269	4.5
215.17940	32.6
217.14703	3.3
233.18982	12.9
251.20087	53.1
269.22653	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	269.211
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84419	3.3
55.05509	24.7
57.03439	5.4
67.05508	87.8
69.07071	25.5
70.56983	13.5
71.05006	5.0
79.05492	37.4
81.07059	98.7
83.08629	24.8
91.05468	28.5
93.07042	52.8
95.08606	100.0
97.06519	25.4
97.10174	8.7
105.07043	18.3
107.08607	34.1
109.10152	36.1
111.08075	22.0
119.08555	19.6
121.10157	46.1
123.11714	14.4
131.08551	11.1
133.10149	34.5
135.11696	32.2
137.09630	4.6
137.13213	4.2
145.10075	7.4
147.11732	8.3
149.13257	16.7
151.11201	10.7
157.10176	4.9
159.11740	11.6
166.39662	3.8
171.11697	6.5
173.13336	8.2
175.28497	4.5
185.13190	6.5
187.14844	4.1
215.17923	30.3
233.19002	14.1
251.20056	53.7
269.22668	12.1
287.67221	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	269.175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	3.9
55.05521	21.5
57.03441	24.1
65.03915	2.7
66.31835	2.2
67.05509	71.2
69.07070	28.9
71.04987	5.8
71.49546	2.3
79.05498	44.7
81.07058	100.0
83.04978	9.9
83.08606	20.2
85.06544	4.3
91.05484	27.7
93.07055	60.8
95.04964	6.8
95.08072	3.2
95.08617	35.6
97.06535	16.6
97.10144	3.3
99.08079	4.3
105.07034	21.9
107.08592	42.8
109.06519	4.6
109.10161	9.8
111.08070	8.1
117.07019	12.7
119.08593	11.5
121.06495	2.8
121.10155	33.0
123.11729	3.0
124.02158	2.5
129.06970	3.1
131.08568	18.5
133.10130	19.1
135.07959	3.7
135.11693	11.1
141.07053	3.1
143.08575	8.7
145.10109	6.6
147.11694	7.6
149.09631	7.8
149.13261	38.1
151.11140	3.4
157.10141	9.6
159.11684	30.5
161.13297	3.4
163.11214	2.5
171.11674	10.7
173.13304	9.9
177.09108	4.7
177.12721	9.0
183.11726	3.4
185.13226	8.9
187.14815	2.8
191.10678	2.4
195.13873	13.7
199.14865	6.7
207.11981	2.9
209.11679	3.9
213.12746	2.9
213.16379	9.0
227.17969	3.6
269.08063	3.6
269.17322	32.8
269.22562	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	268.9824
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21260	5.7
52.72839	6.2
56.96569	44.0
61.02913	16.2
69.03397	13.2
69.10772	6.2
69.88883	31.8
70.06576	13.4
70.98112	6.7
81.03441	9.1
83.06102	8.3
84.04505	8.7
84.08134	39.8
85.02890	19.6
86.09691	26.6
88.28432	5.8
95.06089	14.0
97.02901	20.1
98.20797	7.8
98.97566	38.8
99.04462	8.7
99.24247	5.7
101.00869	28.1
102.79745	5.1
109.02891	9.1
110.07169	82.4
110.97607	15.0
113.00869	16.0
115.02406	17.5
116.98612	15.1
117.03957	5.4
119.01939	34.7
119.04945	5.9
121.01578	6.6
127.00737	7.7
127.02397	10.0
128.98631	10.9
131.01967	27.5
133.03407	14.3
134.99677	6.8
136.06201	8.8
138.56778	6.7
141.03909	7.0
142.03423	7.7
143.01958	13.9
145.03470	25.4
146.99637	7.6
147.05090	6.8
155.01874	18.9
156.07649	20.4
157.03459	11.1
159.01404	9.9
159.26414	5.9
161.02998	23.4
165.07390	7.3
172.04549	8.9
172.08305	6.7
173.02948	17.2
174.03061	6.2
177.00865	9.4
177.07803	11.3
178.08173	23.1
182.06648	10.2
185.02892	23.5
187.04446	6.3
197.02995	10.4
200.07635	6.3
201.02457	7.8
203.04037	9.3
206.11794	21.5
207.08553	11.2
207.12096	100.0
208.94344	7.1
209.02951	18.1
209.12840	13.3
210.13199	6.7
215.00461	7.8
219.01985	28.1
222.01949	8.1
223.04416	8.4
227.03912	20.0
237.02554	10.6
238.01945	7.7
245.05267	8.9
251.04056	7.6
251.11293	8.3
251.14735	34.5
255.03549	7.5
256.25769	6.8
264.02982	10.5
268.20197	10.1
268.94873	6.7
268.95401	7.4
268.98322	56.2
269.04828	14.3
269.07962	6.9
269.10611	18.5
269.15839	50.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.9826
Annotation	Unknow
Peak:m/z	Relative Intensity
63.98874	1.9
70.23686	3.5
84.73310	1.7
112.89585	1.9
114.56783	1.9
133.83482	1.6
136.94014	6.2
162.95605	2.4
169.99147	1.6
211.09917	1.7
250.97141	2.6
257.29077	1.7
265.00137	1.6
268.98257	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.9462
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35146	2.6
58.23246	2.5
69.03440	3.5
70.69794	5.9
70.70146	3.0
84.08156	16.9
90.96581	2.2
94.92995	7.6
101.60165	2.8
115.45974	2.6
120.87402	2.5
134.96101	10.9
136.06230	18.4
136.94031	6.5
137.06563	7.8
161.05916	2.8
162.95590	4.4
164.07086	4.8
164.93518	15.8
177.07874	25.7
178.08287	4.2
178.95132	5.8
188.93542	4.9
206.11781	93.4
207.12103	30.9
250.14389	17.9
250.93596	4.9
251.14761	7.2
268.15350	24.0
268.94720	27.3
268.98270	100.0
269.15814	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1544
Annotation	Codonopsine
Peak:m/z	Relative Intensity
56.97794	0.4
68.96896	0.4
70.07434	1.8
84.08146	8.4
90.42855	0.3
92.08059	0.3
115.05499	0.3
123.04413	0.7
128.29297	0.4
131.04933	0.6
131.08571	0.8
133.06400	0.4
136.06169	0.5
140.48537	0.4
143.08531	2.1
148.05206	0.4
149.05931	0.4
151.07599	0.4
159.08058	1.0
160.05208	0.7
160.11235	1.3
161.05972	2.0
162.05464	0.8
164.07030	3.3
171.08069	1.8
174.06760	0.4
175.47374	0.3
176.07050	0.4
177.07852	22.5
178.08453	0.5
188.10672	2.0
189.09100	1.6
204.10237	0.5
206.11768	100.0
207.12096	0.7
230.90741	0.4
250.14403	18.5
268.15448	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	266.096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64022	0.2
58.06608	0.3
59.99095	0.3
62.99075	0.8
69.26906	0.7
69.27308	1.4
70.06589	0.5
73.83895	0.3
75.98591	52.4
85.07663	0.8
92.04974	0.3
104.04967	0.5
105.01215	7.2
105.01878	0.5
106.03368	0.3
106.06548	0.6
118.03242	100.0
118.99145	0.6
119.03569	0.4
119.06055	3.2
123.02229	0.4
130.62863	0.3
147.05856	3.1
162.06633	0.5
204.10086	0.4
224.04887	4.7
266.09561	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	268.1041
Annotation	Adenosine
Peak:m/z	Relative Intensity
54.99986	0.2
55.01874	0.3
57.03416	0.4
62.32558	0.2
69.03423	0.2
71.01349	0.2
71.40471	0.4
73.02908	0.3
82.06534	0.2
84.08121	0.5
85.02914	0.4
88.57607	0.2
90.01096	0.2
94.04059	0.5
119.03569	1.3
121.89040	0.2
136.06186	100.0
137.04652	0.4
137.06505	0.3
177.07864	0.5
185.05806	0.2
197.69505	0.2
206.11729	1.5
218.41830	0.2
250.14375	0.4
268.10397	4.3
268.15445	0.8
285.44199	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1331
Annotation	Assoanine
Peak:m/z	Relative Intensity
53.03938	0.4
54.03467	0.5
55.01876	0.2
67.05516	2.3
69.03432	0.2
70.19514	0.6
75.78001	0.1
75.79398	0.2
79.05502	1.1
81.03414	0.6
81.07060	0.3
91.05473	1.0
93.07038	0.2
94.06030	0.3
94.06578	2.7
95.04963	0.6
96.08135	0.4
103.05481	0.3
105.03380	0.4
105.07037	0.8
106.06586	0.5
107.04962	0.4
107.08553	0.2
111.68986	0.2
112.61068	0.2
115.05434	1.5
117.07024	11.3
119.08604	1.1
120.04458	0.6
121.08500	0.2
122.06040	2.8
126.05517	0.2
128.06230	1.5
129.07007	0.8
131.08585	1.5
133.06529	0.2
134.06007	0.7
136.06186	0.5
140.07074	4.3
141.06999	0.3
143.08565	5.4
144.08104	0.3
145.06487	3.5
147.08057	0.7
153.06973	0.2
155.08592	1.8
156.09311	0.3
157.10121	0.2
158.09647	1.6
159.08092	1.3
160.07596	0.8
165.06999	0.6
167.08578	0.3
168.08092	0.3
169.06482	0.3
169.10112	0.5
170.09608	0.4
171.04480	0.3
171.08064	8.6
172.07536	0.3
173.05983	3.9
179.08470	0.2
180.08049	0.4
180.09354	0.7
181.10068	0.2
182.10852	0.3
184.11249	0.2
185.06035	0.3
186.09135	1.3
192.09399	0.2
193.10170	0.3
194.09727	0.2
195.11700	1.7
196.11224	0.3
197.09740	0.2
197.13394	1.0
198.09148	0.2
205.10153	0.7
206.11755	0.6
207.10406	0.6
209.09671	0.2
212.07121	0.3
212.14287	1.2
214.08638	46.4
215.08969	0.6
220.07530	0.3
222.09181	0.2
222.12798	1.1
223.11185	0.6
225.11450	0.3
226.08589	1.3
227.09200	0.2
234.09113	0.3
235.09940	2.4
236.10706	0.3
240.13852	3.2
248.10754	0.5
249.11404	0.2
250.12279	2.3
251.10654	0.4
253.10999	0.5
266.11734	0.4
268.13330	100.0
269.13712	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2162
Annotation	Heptadecatrienoic acid
Peak:m/z	Relative Intensity
53.03940	2.5
55.01876	1.4
55.05511	21.3
57.03428	4.0
57.07072	4.5
65.03939	1.6
67.05510	41.2
69.06728	2.0
69.07072	23.3
70.07201	5.8
70.79920	1.3
71.04998	45.5
79.05495	20.5
81.07058	80.9
83.08621	12.6
83.35350	1.1
84.31302	1.2
85.06546	64.2
87.20896	1.2
91.05465	11.3
93.06491	2.8
93.07048	41.0
95.04931	1.7
95.08611	100.0
97.06544	7.4
97.10163	5.4
99.08092	16.5
105.06333	1.4
105.07039	26.6
107.08598	46.2
109.06505	2.6
109.10161	70.0
111.08086	7.0
111.11696	2.6
113.09613	8.4
117.07007	2.8
119.08586	39.9
121.10153	34.2
123.08073	2.7
123.11710	40.1
125.09631	21.0
127.11173	12.0
130.27670	1.2
131.08586	7.8
133.10130	21.9
135.11681	19.3
137.09624	23.5
137.13258	5.9
139.11186	14.9
141.09052	1.6
141.12773	1.3
143.56749	1.4
145.10130	17.2
147.11684	24.6
149.09511	1.6
149.13271	12.7
151.11188	6.2
159.11705	24.9
161.13249	12.1
163.11200	1.5
163.14833	7.8
165.12749	6.6
167.14325	2.3
169.12375	1.5
173.13289	19.1
175.14833	4.8
177.12778	2.0
177.16399	4.1
179.14365	1.4
187.14836	11.6
189.16377	8.3
191.14343	2.2
201.16423	4.6
201.85878	1.3
203.17967	12.6
205.19572	1.8
207.17506	3.2
217.19543	1.8
219.17517	1.4
221.19052	2.3
223.20612	1.2
229.19508	33.2
247.20593	21.0
265.21661	91.7
266.22101	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2163
Annotation	Heptadecatrienoic acid
Peak:m/z	Relative Intensity
55.05510	21.2
57.03446	3.5
57.07064	3.9
60.43139	2.3
67.05178	4.1
67.05502	46.9
69.03406	2.8
69.07072	20.9
69.58144	16.5
71.04991	53.8
73.00832	2.4
73.22912	2.6
79.05498	17.3
81.07060	76.4
83.08610	14.1
85.06546	71.6
91.05476	13.8
93.07038	40.0
95.08606	100.0
97.06509	7.4
97.10162	8.9
98.20822	5.3
99.08089	12.2
105.07026	25.8
107.08598	38.8
107.15073	3.1
109.06497	3.2
109.10157	81.8
111.08057	9.5
111.22778	3.1
111.23606	2.5
113.09636	6.6
117.07021	3.4
117.25720	2.7
117.79585	2.2
119.08580	43.6
121.10143	32.2
123.08078	4.8
123.11701	45.8
125.09634	19.6
127.11201	13.6
131.08560	10.2
133.10156	25.6
135.11716	20.3
137.09636	20.6
139.11174	13.0
143.08551	4.5
145.10109	16.1
147.11697	33.2
149.13283	15.3
151.11168	6.0
159.11708	29.5
161.13283	12.9
163.11131	3.4
163.14839	7.4
165.12737	5.3
169.10149	3.6
173.13264	18.4
179.14175	3.0
187.14796	11.1
189.16414	10.5
191.14314	3.8
201.16394	5.4
203.17984	11.4
205.69859	2.9
207.17487	4.7
229.15965	2.9
229.19522	35.5
247.20575	26.9
265.09781	7.3
265.21643	95.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2162
Annotation	Heptadecatrienoic acid
Peak:m/z	Relative Intensity
53.01723	1.9
53.03943	2.3
55.05516	19.9
57.03432	2.7
57.07065	5.7
57.93662	1.8
61.70670	1.9
67.05507	42.9
69.07072	19.9
70.06133	6.9
70.06498	3.1
70.67953	1.8
71.04612	2.5
71.04996	50.8
78.78604	1.6
79.05486	18.3
81.07056	80.7
83.08629	11.5
85.06550	65.7
91.05492	13.1
93.07047	38.6
95.08614	100.0
97.06517	7.1
97.10184	6.8
99.08096	18.6
105.07028	31.3
107.08591	48.3
109.06499	3.6
109.10162	78.8
111.08079	9.6
113.09628	9.8
117.07018	3.4
117.79187	1.9
119.08586	37.8
121.10143	36.5
123.08067	6.3
123.11704	39.5
125.09653	20.9
127.11161	13.3
131.08551	9.4
133.10138	25.4
135.11708	19.4
137.09642	23.5
137.13245	5.8
139.11211	13.0
145.10117	14.1
147.11688	27.7
149.13234	11.0
151.11176	4.4
153.12743	2.3
159.11694	27.0
161.13242	12.1
162.78206	2.2
163.11121	2.6
163.14871	9.1
165.12782	5.3
167.14305	2.5
173.13271	21.3
175.14804	6.6
177.12732	3.8
177.16330	2.6
177.40515	1.7
187.14813	11.9
189.16394	10.8
191.14317	2.4
201.16409	4.2
203.17952	12.2
207.17386	4.1
229.19518	31.4
247.20604	26.2
265.21646	91.6
266.21841	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2162
Annotation	Heptadecatrienoic acid
Peak:m/z	Relative Intensity
53.03945	4.0
55.05515	21.3
57.03420	5.8
57.07065	4.5
67.05184	3.0
67.05509	41.5
69.03441	2.3
69.07069	24.8
69.34995	17.3
69.35345	3.2
71.04993	43.4
79.05148	1.8
79.05498	19.2
81.07060	85.2
83.04950	3.7
83.08629	13.2
85.06548	67.3
85.76812	2.1
87.08081	1.9
91.05482	12.5
93.06496	2.6
93.07053	37.8
95.08615	97.0
97.06516	5.4
97.10206	4.9
99.08099	15.9
100.05459	2.0
105.07021	26.6
107.08604	43.1
109.10164	75.7
111.08084	7.0
113.09624	8.6
117.06980	2.1
118.16514	1.8
119.07812	3.8
119.08597	43.5
120.62206	2.0
121.10150	34.6
123.08067	5.4
123.11715	36.8
123.64030	2.3
125.09630	19.2
127.11192	14.1
131.08589	9.6
133.10141	25.1
135.11700	19.2
137.09618	23.7
137.13240	7.0
139.11183	17.2
145.10138	12.9
147.11703	25.6
149.13251	12.6
151.11194	6.1
153.12720	2.9
159.11700	27.7
160.57872	2.5
161.13229	12.8
163.14833	11.5
165.12819	6.0
168.19586	2.1
173.13278	24.2
175.14836	4.5
177.12840	2.2
177.16388	4.9
187.14883	12.2
189.16417	10.8
191.17850	2.2
201.16409	5.5
203.17918	9.6
207.17488	4.7
217.19559	2.8
227.16356	2.1
229.19521	33.6
247.20566	22.2
265.21640	100.0
272.60266	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	265.18
Annotation	5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone
Peak:m/z	Relative Intensity
53.03940	5.9
55.01874	14.6
55.05513	25.2
57.03446	5.1
58.90011	2.0
65.03916	2.3
66.28462	2.0
67.05505	52.9
69.03432	5.2
69.07072	40.2
70.09360	5.6
71.05003	10.0
75.68800	1.8
79.05495	56.3
81.03412	14.1
81.07057	100.0
82.99655	2.4
83.04988	7.7
83.08617	18.6
85.06550	22.6
91.05485	43.8
91.06033	3.5
93.07041	50.1
95.04974	31.1
95.08607	60.8
97.06547	13.7
97.10167	4.5
99.08097	5.0
105.07031	38.1
105.07687	2.4
107.04961	17.0
107.08593	52.0
109.06523	24.9
109.10157	29.4
109.10822	2.1
111.08089	12.0
113.09628	5.0
115.07597	7.3
117.07021	17.1
119.08588	34.9
121.02901	8.9
121.06489	11.3
121.10149	28.6
122.07200	6.8
123.04465	2.3
123.08048	20.1
123.11736	8.1
123.99371	2.3
125.06030	6.8
125.09636	6.3
129.07056	3.8
131.08554	26.0
133.06531	3.4
133.10141	22.4
135.08058	22.4
135.11723	12.7
137.09641	21.1
139.11186	2.3
142.07784	3.3
143.07060	6.0
143.08594	4.9
145.06506	6.5
145.10110	31.8
147.08081	4.9
147.11673	12.2
148.53818	2.3
149.09639	34.5
149.13229	3.9
151.07590	5.4
151.11224	7.1
153.09113	2.7
154.07668	2.2
155.08601	2.5
157.10159	5.1
158.07182	2.3
159.08073	5.1
159.10548	3.2
159.11667	17.2
161.09575	3.5
161.13297	6.6
163.07623	4.3
163.11174	10.5
163.14832	2.8
165.09125	4.5
169.10150	6.6
171.91136	2.3
173.13310	10.7
175.14827	3.3
177.09109	3.2
177.16431	2.7
179.10645	2.4
183.11765	3.6
185.13260	3.0
187.11267	5.7
187.14854	7.5
193.10072	2.6
195.11670	4.2
201.16394	26.5
205.16022	3.2
209.13388	4.6
211.14853	4.8
219.17421	16.8
222.14310	2.2
223.14850	2.6
229.15863	18.1
229.19504	4.9
247.13451	4.8
247.16942	50.9
247.20601	17.6
262.25702	2.0
265.06039	2.9
265.14966	3.8
265.18076	48.7
265.21490	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	265.1801
Annotation	12-Oxo-2,3-dinor-10,15-phytodienoic acid
Peak:m/z	Relative Intensity
53.03935	4.4
55.01852	10.6
55.05513	17.0
57.03421	4.1
57.07058	5.5
57.56954	2.3
67.05508	47.3
69.03413	4.6
69.07071	53.5
71.04955	8.4
71.49689	2.8
79.05499	46.2
81.03405	6.3
81.07060	65.6
83.04974	13.5
83.08572	7.9
85.02804	2.3
85.06550	14.9
91.05485	44.2
93.06490	3.5
93.07045	51.8
95.04964	19.3
95.08091	2.9
95.08609	41.9
97.06492	9.1
104.53194	2.6
105.06431	3.1
105.07034	47.6
105.61858	2.7
107.04961	13.8
107.08599	32.3
108.28468	2.6
109.06517	16.3
109.10135	18.4
111.08077	4.1
117.07034	18.8
119.08583	32.2
121.06515	16.2
121.10150	28.8
122.07128	5.1
123.08070	12.1
123.11682	8.8
125.05948	3.0
125.09613	4.8
127.07552	2.4
128.06252	2.7
129.06967	6.6
131.08574	31.0
133.06442	5.0
133.10132	24.6
135.07985	9.4
135.11664	16.5
137.09575	9.9
138.09155	3.2
139.07480	4.2
141.20287	2.5
143.08514	7.9
145.10130	36.5
147.08008	8.9
147.11693	15.1
149.09622	31.7
149.13194	4.3
150.88721	3.2
151.11206	18.2
155.08548	5.9
157.10117	3.0
159.07985	3.7
159.11652	14.7
161.09575	8.3
161.13190	5.5
162.84047	2.7
163.11194	46.5
165.09061	4.2
167.08516	3.1
169.10052	7.4
171.11661	3.2
173.09579	9.9
173.13249	5.5
175.14882	3.1
177.12619	4.0
179.08424	3.2
179.10587	10.2
181.10068	2.5
183.11604	3.8
185.13120	6.0
187.11105	5.5
187.14728	8.5
191.10736	13.6
201.16389	23.8
203.14424	3.3
205.12186	5.6
205.15691	3.4
209.11601	5.5
211.14690	6.9
219.17445	35.1
229.15843	19.4
237.18343	3.2
240.02069	3.1
247.14508	4.2
247.16914	77.3
265.06113	5.5
265.17871	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1801
Annotation	Quadrangulin A
Peak:m/z	Relative Intensity
55.01879	15.9
55.05515	27.1
57.03441	7.8
57.07069	11.7
67.05506	82.8
69.07070	34.7
69.37262	6.9
69.37669	16.4
71.04997	45.0
71.08656	6.3
73.02935	3.2
79.05497	46.8
81.03440	7.1
81.07061	100.0
83.04978	12.1
83.08622	15.9
85.02917	7.5
85.06551	45.6
87.04481	39.2
91.05488	40.7
93.07049	67.0
95.04989	8.7
95.08616	91.6
97.06533	13.1
97.10172	7.9
99.04467	6.6
99.08094	12.1
101.02376	14.9
105.07018	38.5
107.04992	15.9
107.08601	53.2
109.06514	9.7
109.10167	67.5
111.04459	7.8
111.08078	6.9
113.06008	6.8
113.09642	4.7
115.03934	18.4
115.19624	3.3
117.07019	29.1
119.08578	43.7
121.06522	14.7
121.10137	37.1
123.04515	3.3
123.08073	8.1
123.11697	28.1
125.09667	20.0
127.11192	8.9
129.07039	5.8
131.08578	47.5
133.06516	3.6
133.10133	33.1
135.08081	13.3
135.11713	31.0
137.09631	14.6
137.13239	12.2
137.14186	3.2
139.11203	8.7
141.07031	5.5
143.08572	4.9
145.10130	41.6
147.08035	3.7
147.11697	21.6
149.09624	11.7
149.13225	17.9
151.07593	5.9
151.11197	11.0
151.14845	5.6
151.26172	3.0
153.57973	3.3
155.08467	3.7
156.09419	3.2
159.08044	4.0
159.11691	27.0
161.09560	3.9
161.13284	10.3
163.07564	6.1
163.11200	9.1
163.14847	9.5
165.12708	6.1
167.06952	3.6
169.10132	8.9
173.09622	5.6
173.13268	20.6
177.09108	13.8
177.12811	6.4
177.16489	4.3
183.11754	3.3
185.13266	7.1
187.11255	8.5
187.14850	32.2
191.10597	4.4
191.14337	4.3
191.18028	4.4
201.16368	33.4
203.14308	3.7
203.17953	7.3
205.15939	13.5
211.14803	10.9
219.17500	30.0
225.87430	3.1
229.15866	26.4
229.19420	17.1
247.16960	71.2
247.20670	14.9
263.49066	3.6
265.18036	46.6
265.21671	53.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1799
Annotation	Speciosin K
Peak:m/z	Relative Intensity
53.03944	5.2
55.01874	18.7
55.05511	18.8
57.03426	6.7
57.07083	12.3
57.12342	2.1
65.03938	4.5
67.05503	89.4
69.03418	2.3
69.07073	21.5
70.94631	2.9
71.05002	15.6
71.08624	6.5
71.33692	2.1
73.02908	8.9
73.03267	2.0
79.05491	48.8
81.03399	6.6
81.07056	78.2
81.07537	4.5
83.04977	12.7
83.08605	9.8
85.02908	12.1
85.06542	13.8
87.04470	59.8
88.60491	2.2
91.05482	51.2
93.07042	64.8
95.04964	9.8
95.08603	62.4
97.06519	18.7
97.10181	2.6
99.04459	11.2
99.08079	3.5
101.02381	17.4
105.07033	32.2
107.04962	16.8
107.08589	41.9
109.06525	8.0
109.10155	32.9
111.04445	15.9
111.08078	3.7
113.06010	7.7
115.03935	22.2
115.05427	3.1
116.95736	2.3
117.07022	31.4
119.04938	2.3
119.08578	32.7
121.06495	12.4
121.10126	25.3
123.04443	3.8
123.08073	12.9
123.11710	11.9
125.06007	5.4
125.09657	4.9
128.06139	3.4
129.06984	9.2
130.07816	2.4
131.08563	47.5
133.06464	4.3
133.10138	20.8
135.08049	14.2
135.11694	33.1
137.05946	3.4
137.09605	4.7
137.13246	11.5
139.07388	2.4
141.06979	6.1
143.08551	7.6
143.46664	1.9
145.06496	3.2
145.10123	46.0
147.08025	6.7
147.11696	14.9
149.06013	3.3
149.09619	22.8
149.13261	29.7
151.07520	6.5
151.11176	3.0
151.14836	6.3
153.05423	2.4
155.08568	6.1
157.10115	7.2
159.08018	6.0
159.11696	25.7
159.92709	2.2
161.09628	6.9
161.13208	6.8
163.07535	4.1
163.11230	14.0
163.14839	4.1
165.09077	5.6
165.12692	5.0
167.14285	2.7
169.10118	13.9
171.11688	3.8
173.09579	7.3
173.13324	10.2
175.11127	4.4
175.14796	2.8
177.09079	18.4
177.12752	3.3
179.10681	2.8
183.11742	3.5
185.13271	6.8
187.11223	10.3
187.14812	34.6
191.10614	11.0
192.39003	2.1
195.10118	4.9
201.12637	3.7
201.16403	34.2
203.14296	10.0
205.12279	3.4
205.15836	11.5
211.14825	16.9
219.17432	34.6
223.14909	2.5
229.15887	33.7
237.18321	2.3
247.16939	100.0
265.17914	65.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1798
Annotation	Methyl atlantonate
Peak:m/z	Relative Intensity
53.78442	3.8
55.01878	53.8
55.05507	9.2
57.07081	40.1
65.49044	3.4
67.05508	20.5
69.07050	19.5
71.04983	7.1
71.49160	4.1
79.05483	16.5
81.03394	6.0
81.07059	25.1
83.04997	6.3
83.08602	11.8
85.06555	20.9
91.05478	11.4
93.07050	14.6
95.04959	5.6
95.08620	20.8
97.06538	100.0
105.07033	15.7
107.04974	12.6
107.08590	18.4
109.06519	8.0
109.10166	10.5
117.07015	6.6
119.08571	11.1
121.06542	7.9
121.10146	11.1
122.07186	7.7
123.08132	5.6
125.05994	14.5
125.09610	5.0
131.08592	11.0
133.10135	7.3
135.08043	9.2
145.06465	4.6
145.10135	6.9
147.08139	3.8
147.11678	4.7
149.09637	7.7
150.93388	4.0
157.10220	4.2
159.11736	8.8
161.09554	4.4
177.09152	4.9
186.76814	4.1
189.12700	6.0
191.10835	3.9
196.96591	5.0
201.16455	3.7
203.14459	4.3
204.55878	4.0
209.11681	5.6
209.13408	4.3
219.17354	6.3
241.98827	5.0
247.16983	9.0
265.17841	61.1
265.21979	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	265.1799
Annotation	Dehydrojuvabione
Peak:m/z	Relative Intensity
50.05827	1.9
53.03951	14.9
53.91268	2.3
55.01875	13.1
55.05521	9.2
57.03417	2.4
67.05508	34.6
69.07072	100.0
70.30039	6.3
71.04992	4.5
79.05505	31.5
80.20210	1.7
81.03417	30.6
81.07064	20.6
83.04967	7.9
83.08577	4.1
85.06554	9.6
91.05492	25.7
93.07044	23.3
95.01299	2.7
95.04971	19.0
95.08622	10.7
95.09112	1.9
97.06530	14.9
98.20830	2.6
99.08096	3.3
105.07027	16.0
107.04955	17.5
107.08603	27.5
109.06538	4.8
109.10165	8.0
111.04449	3.5
113.33213	1.8
117.07016	15.1
119.08632	9.2
121.06550	3.2
121.10132	16.2
122.07122	2.4
123.08065	2.2
125.05996	6.1
125.09586	2.7
129.07024	4.9
131.08572	29.8
133.06506	12.4
133.10112	8.4
135.08055	12.3
135.11679	2.4
137.05940	2.2
137.09625	2.0
137.58746	1.9
138.36470	1.8
145.06488	3.0
145.10147	9.7
147.11761	2.2
149.09619	50.5
151.11211	8.9
159.08040	10.9
159.11685	6.2
161.09607	2.5
163.11151	2.3
165.09277	2.3
167.08540	2.6
173.13141	2.2
177.09148	13.7
187.11319	2.3
187.14766	2.4
191.10645	2.4
195.11670	3.1
201.16373	3.6
209.13350	4.0
219.17450	4.4
223.14827	2.4
229.15979	3.3
241.98830	2.9
247.16919	7.0
265.17798	31.7
265.21924	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	265.1435
Annotation	Epoxycantabronic acid
Peak:m/z	Relative Intensity
53.03959	11.0
55.01857	9.5
55.05513	17.1
57.03198	2.3
57.03439	33.6
57.07061	4.1
61.09636	2.4
65.03928	4.6
67.05508	65.7
69.07066	28.2
69.88175	4.3
69.88580	7.8
71.04649	2.7
71.04998	29.3
79.05495	100.0
81.03398	20.2
81.06596	4.4
81.07061	68.3
83.04990	14.2
83.08599	7.7
85.06544	38.5
91.05482	75.2
93.07043	66.8
95.04971	23.6
95.08606	60.2
97.06544	14.9
97.10156	6.6
98.20842	2.6
99.08060	7.7
103.03912	9.6
103.05458	5.7
105.04524	2.7
105.07033	49.9
107.04965	36.9
107.08598	36.8
109.06494	8.8
109.10156	35.5
110.51729	2.3
111.08050	7.0
113.09667	2.5
115.05438	6.5
115.28843	2.2
116.06213	3.6
117.07023	41.7
119.08587	51.8
121.06495	8.1
121.10135	28.4
123.08070	7.2
123.11714	19.6
125.05982	3.8
125.09645	12.4
127.11172	8.9
128.06210	6.8
129.05479	5.2
129.07007	19.4
130.07756	6.5
131.04927	3.9
131.08569	44.4
133.10118	16.5
135.08046	6.7
135.11702	27.9
137.09607	16.0
143.08549	4.5
145.06447	9.4
145.10123	53.1
147.08052	16.4
147.11719	16.3
149.09616	5.2
149.13268	7.1
151.11168	3.7
153.06982	3.5
155.08539	9.0
159.11703	14.4
161.09532	3.6
161.13284	7.2
163.11183	29.0
163.14822	4.3
165.12753	3.2
173.09642	24.1
173.13249	16.3
174.10004	2.4
175.14723	3.4
177.16435	2.9
177.79784	2.2
186.14488	2.2
187.14842	9.3
189.16373	6.1
191.10635	8.2
201.16376	3.7
203.17986	3.7
209.13390	4.2
223.14755	3.1
223.65109	2.3
229.19502	19.3
244.91879	2.4
247.13177	3.6
247.16861	2.9
247.20622	10.5
250.06230	2.3
265.08582	6.9
265.14337	17.3
265.19342	8.3
265.21765	44.3
265.24857	2.6
265.25558	2.1
266.83273	2.4
276.95959	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	264.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.6
55.01876	4.1
55.05518	0.6
57.03439	0.6
58.60170	0.4
67.05501	2.6
69.03431	0.9
69.07072	15.3
70.54233	1.4
70.54584	0.5
79.05494	12.8
81.07053	0.7
91.05487	16.2
95.04922	0.7
97.06535	100.0
99.01474	0.5
105.04539	0.7
107.04974	1.0
109.06535	1.4
118.15134	0.4
119.04109	0.9
119.04949	12.2
123.04456	0.7
133.06476	1.2
135.04437	2.4
137.05984	72.2
147.04420	7.4
149.05991	1.7
159.08064	0.6
163.07558	1.0
177.09090	1.0
189.09120	11.1
191.10689	0.7
215.10574	2.3
233.11737	92.8
234.12119	1.2
264.15958	64.3
265.16241	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1435
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03935	7.7
55.01857	5.4
55.05489	5.8
60.16590	3.6
65.03949	9.0
67.05510	29.0
67.46601	4.0
69.03429	31.5
69.07052	4.5
69.70688	6.8
69.71094	18.4
71.04995	8.8
79.05486	16.0
81.07037	14.8
83.04979	10.0
91.05486	40.4
93.03401	5.2
93.07031	44.3
95.04974	49.4
95.08633	18.3
98.21555	4.0
99.04438	6.8
105.07037	85.6
107.04887	5.3
107.08582	17.0
109.02847	3.7
109.05851	4.9
109.06504	32.1
109.10149	7.5
111.04466	28.8
111.08040	9.7
113.06005	18.8
115.05429	8.4
116.06245	7.9
117.07000	16.6
118.29438	3.8
119.08584	100.0
121.02860	11.4
121.06528	52.5
121.10130	12.6
123.04423	4.7
123.08063	22.4
128.06221	11.1
129.07043	19.1
130.07758	10.1
131.08595	37.6
133.06534	8.0
133.10104	15.6
135.08063	79.3
135.82890	3.7
137.09601	15.0
139.03923	5.8
139.07558	5.8
141.06995	6.6
142.07762	8.5
143.08563	18.4
144.09325	7.5
145.06480	12.0
145.10133	24.7
147.08080	34.6
147.11679	17.1
149.05956	4.3
149.09659	17.9
151.07561	5.5
154.07722	5.4
155.08519	6.7
156.09355	5.8
157.06502	6.0
157.10147	23.0
158.07285	21.8
159.08102	35.9
159.11720	35.8
160.08859	5.3
161.09648	31.8
161.13239	6.8
163.07608	4.7
165.09102	40.0
167.08528	4.6
168.09341	9.2
169.10139	6.0
171.08026	11.1
171.11719	8.8
172.08875	17.6
173.09595	15.9
173.13284	16.1
175.07535	67.5
175.11172	39.5
183.11685	14.6
185.09596	10.2
186.10445	4.4
187.11203	43.3
189.09058	11.9
189.12730	17.8
193.08615	26.9
193.10159	7.3
196.08859	8.8
199.11168	11.8
201.12741	37.8
203.10689	52.9
205.12276	11.2
207.10109	7.0
211.11179	21.6
217.12257	21.9
219.13824	7.3
229.12291	25.4
235.13344	9.1
247.13298	53.4
265.14413	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	264.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49228	0.4
53.03949	0.6
55.01875	3.0
57.03428	0.6
61.55512	0.4
67.05531	2.2
69.01412	0.4
69.03416	1.0
69.07075	12.9
69.99206	1.9
79.05501	11.4
85.33894	0.5
91.04918	0.8
91.05482	14.8
91.06027	0.9
95.04958	0.7
97.06535	100.0
98.20769	0.6
107.04983	0.7
109.06523	1.1
119.04951	11.9
121.06495	0.7
123.04430	0.7
133.06511	1.1
135.01787	0.5
135.04385	2.3
137.05984	72.8
147.04437	5.7
149.05951	1.1
160.95346	0.4
163.07544	0.8
189.09108	8.6
215.10683	1.8
233.11732	77.7
234.12132	1.1
247.13342	1.7
264.15955	43.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61433	0.5
53.03931	1.1
55.01872	2.8
57.03448	0.6
67.05505	2.1
69.03440	0.8
69.07073	10.3
70.64114	1.3
70.64478	0.7
74.36456	0.5
75.22305	0.5
79.05497	11.4
79.82154	0.5
81.07076	1.1
89.41142	0.5
91.05485	11.8
95.05021	0.7
97.06534	100.0
98.06866	0.6
107.04964	1.6
113.39742	0.5
119.04959	8.3
133.06514	1.7
135.04439	2.4
137.05981	65.4
145.06519	0.6
147.04413	6.9
149.06020	1.7
159.75330	0.5
161.09679	1.2
163.07465	0.5
177.09090	0.6
189.09108	12.5
189.10760	0.8
191.10730	0.9
215.10696	2.9
233.11732	48.9
235.13327	0.5
247.13345	3.4
264.15964	48.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.0199
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88580	10.3
69.03444	18.6
69.48711	15.8
69.49119	61.9
73.02920	36.5
85.02903	43.6
101.00880	41.0
102.01038	17.2
104.10747	48.2
113.00867	18.6
119.01905	25.5
120.02024	33.5
123.03000	17.7
127.03933	17.5
132.01974	19.2
143.01921	51.8
144.02013	74.8
149.25299	14.5
155.01939	26.0
156.02071	16.2
158.03615	11.9
161.02975	31.3
162.03082	100.0
167.01918	18.2
173.02977	26.3
174.03172	38.9
174.04485	13.4
183.05023	30.3
185.02936	21.5
192.04068	20.6
203.04004	17.6
204.04208	24.3
245.05107	27.6
251.37888	11.9
263.92700	21.0
264.00168	39.4
264.02493	19.2
264.06192	26.0
265.07706	19.7
280.91864	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	263.237
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03955	2.0
55.05281	1.0
55.05511	14.5
57.03433	2.0
57.06839	0.8
57.07075	10.2
65.03922	2.5
67.05504	86.2
69.03391	1.0
69.07065	14.7
71.04980	1.3
71.08629	7.6
79.05490	19.5
81.07054	100.0
83.04958	1.6
83.08612	14.5
85.06527	4.3
85.10175	3.3
91.05482	18.8
93.07042	23.9
95.04944	2.2
95.08605	86.8
97.06536	6.8
97.10175	6.5
98.21531	2.7
99.08101	5.8
105.07023	11.6
107.08588	14.6
109.06505	1.9
109.10158	44.5
111.08057	3.9
111.11706	1.1
113.09650	3.0
117.07021	1.3
119.08589	12.6
121.10134	15.9
123.08054	3.1
123.11703	18.7
125.09639	2.2
127.11157	1.4
131.08542	1.0
133.10120	16.4
135.08009	1.0
135.11674	10.4
137.09618	3.0
137.13272	10.1
141.12688	1.2
143.08592	1.5
147.11670	13.1
149.13249	10.2
151.11136	1.5
151.14825	7.1
155.14308	1.6
161.13213	10.4
163.14798	8.3
165.16382	9.5
167.14325	1.1
175.14841	8.2
177.16331	1.7
179.14316	1.1
179.17950	3.4
181.15785	1.9
185.01518	0.9
189.16342	3.9
203.14240	1.0
203.17960	1.5
207.11682	1.1
217.19527	2.8
229.06471	0.8
245.18921	1.3
245.22658	30.5
247.11592	1.7
248.12292	1.0
263.14368	8.2
263.23703	68.1
264.23871	1.5
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
53.03941	2.1
54.91043	0.9
55.01857	1.1
55.05268	1.3
55.05513	16.1
57.03429	2.7
57.06835	1.1
57.07079	12.8
65.03945	1.2
67.05506	81.1
69.07070	16.1
69.78975	5.9
71.08638	7.4
77.03902	0.8
77.69642	0.9
79.05494	25.2
81.04623	1.0
81.07058	100.0
83.04967	2.3
83.08624	12.2
85.06532	4.2
85.10162	3.3
91.05483	17.5
93.07043	26.9
95.04963	3.1
95.08608	92.2
97.06535	6.8
97.10165	4.8
99.08100	5.0
105.07040	14.6
107.08598	16.3
109.06503	1.4
109.10160	45.9
111.08079	5.4
113.09624	2.5
119.08586	16.7
121.10147	18.0
123.08070	3.2
123.11717	18.8
125.09618	1.5
127.11196	1.7
131.08545	1.5
133.10123	15.3
135.11699	10.0
137.09586	2.3
137.13278	6.7
141.12741	1.6
142.07788	2.0
143.08521	3.8
147.11682	11.6
149.13264	8.4
151.11127	1.2
151.14838	7.0
155.14291	1.1
156.09300	1.3
157.10124	3.5
161.13277	10.5
163.14825	8.4
165.12744	1.0
165.16371	7.9
167.14352	1.7
167.79097	1.1
171.11662	1.9
175.14809	7.2
177.16411	2.0
179.17961	3.4
181.15817	1.5
189.16379	3.5
193.10210	1.9
193.15758	1.3
203.17957	1.8
206.10881	2.8
207.11656	1.7
217.19510	1.9
219.11829	1.2
220.12399	1.2
221.13281	4.1
233.13255	4.9
234.14117	2.2
245.15562	1.2
245.18896	1.2
245.22656	32.2
248.15643	3.1
263.18134	12.5
263.23712	64.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.237
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03934	2.5
55.01851	0.8
55.05279	1.1
55.05514	15.3
57.03430	1.1
57.06836	1.1
57.07076	13.5
65.03922	2.2
65.58671	0.8
67.05506	89.1
69.06731	1.3
69.07066	15.5
71.00977	1.5
71.01313	1.2
71.04980	2.3
71.08299	0.7
71.08633	5.4
79.05495	22.6
81.07057	100.0
83.04974	1.7
83.08159	1.1
83.08617	15.8
85.06546	4.7
85.10178	3.3
91.05478	18.2
93.07044	26.0
95.04947	2.2
95.08608	82.8
97.06530	8.5
97.10156	7.6
99.08098	6.3
105.07034	12.3
107.08595	14.7
109.06526	1.7
109.10158	46.0
111.08117	5.3
111.11752	1.3
113.09637	3.2
119.08584	11.5
121.10151	18.8
123.08086	2.2
123.11707	17.2
125.09650	1.8
127.11199	1.6
133.10129	16.6
135.11688	9.5
137.09615	3.3
137.12291	1.1
137.13255	8.2
139.11200	0.9
141.12769	2.3
147.11688	11.3
149.13264	8.9
149.37195	0.8
151.11246	0.9
151.14825	7.8
155.14311	2.0
161.13243	9.3
163.14819	9.4
165.16408	10.2
175.14822	8.8
177.16344	1.6
179.17946	3.9
181.15805	1.1
189.16467	3.8
203.17883	1.1
207.17288	0.8
215.65959	1.0
217.19473	2.3
245.22659	35.3
263.18274	2.1
263.23700	71.6
264.24139	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2371
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
51.72756	2.0
53.03930	3.6
54.88773	2.1
55.05513	22.6
57.07075	4.7
65.03924	3.0
67.05508	94.1
69.07076	15.6
70.10861	4.0
70.11246	4.5
71.08617	2.2
72.17789	1.9
79.05492	29.0
81.07060	100.0
83.08617	18.9
90.81531	1.9
91.05480	12.6
93.07049	28.5
95.04974	4.0
95.08613	89.9
97.06525	2.7
97.10163	6.9
105.06992	9.4
107.08588	18.9
109.06525	3.1
109.10162	38.3
111.11728	3.0
119.08563	6.7
121.06490	2.6
121.10134	26.7
123.08104	1.9
123.11703	16.3
125.09589	2.8
126.03342	1.8
131.08527	2.5
133.10132	4.9
135.11717	15.6
137.09605	3.5
137.13234	3.8
141.03780	2.0
141.69377	1.9
147.11673	6.2
149.13261	14.2
157.10172	2.6
161.09651	2.3
161.13371	2.2
163.14795	7.7
170.77066	1.9
175.14854	3.6
177.12752	4.0
189.16258	2.0
245.19029	2.6
245.22635	12.3
263.16635	3.1
263.23718	76.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2007
Annotation	[4aS-(4aalpha,4bbeta,6alpha,8aalpha)]-3,4,4a,4b,5,6,7,8,8a,9-Decahydro-6-hydroxy-4b,8,8-trimethyl-2(1H)-phenanthrenone
Peak:m/z	Relative Intensity
53.03932	5.2
55.01883	2.7
55.05512	18.2
57.03440	4.3
57.07066	3.8
59.04996	3.7
65.03931	3.2
67.05507	28.0
69.03418	2.7
69.07074	23.2
69.74506	12.0
71.05003	12.4
79.05500	23.5
81.07063	53.8
83.04970	3.1
83.08610	7.0
85.06551	37.9
87.04465	2.3
88.07635	2.5
91.05493	24.2
93.07050	48.7
95.04946	7.9
95.08616	60.3
97.06516	12.1
98.20762	3.7
99.08087	5.9
103.90825	2.1
105.07041	53.6
107.04927	3.1
107.08606	40.8
108.68310	2.1
109.06522	9.5
109.10172	23.8
109.11404	2.0
111.08107	13.2
117.07025	10.5
119.08593	49.7
121.06527	5.7
121.10139	31.1
123.08079	6.9
123.11717	9.9
125.09654	13.7
128.06247	3.4
129.07031	7.7
130.07785	2.9
131.08583	25.7
133.06514	3.5
133.10136	35.0
135.08058	11.6
135.11685	22.3
135.47595	2.4
137.05969	3.6
137.09613	9.4
142.07774	5.2
143.08580	20.5
145.10143	40.0
147.08075	6.2
147.11687	45.2
149.09648	5.9
149.13268	10.5
151.11163	5.1
153.09100	2.6
156.09274	3.9
157.10147	20.9
159.10480	3.9
159.11703	43.4
161.09575	4.7
161.13261	26.7
163.07542	6.5
163.11205	9.3
163.14856	3.9
165.12759	10.9
171.11700	19.5
173.13275	17.0
175.11200	4.6
175.14818	9.9
175.16231	2.6
177.12773	9.4
183.11737	3.4
185.13251	28.9
187.14812	22.7
189.12749	7.8
189.16357	4.1
199.14755	14.4
200.20070	2.9
201.16443	20.6
201.20395	6.2
203.08531	3.6
203.14378	8.5
203.18037	7.0
205.15868	7.7
215.17987	7.3
217.15927	8.0
219.17398	5.3
225.86725	2.5
227.14418	5.1
227.17935	31.5
233.18991	4.3
245.15382	9.8
245.19019	54.9
248.84891	2.5
252.28192	2.3
263.06992	5.7
263.10623	9.1
263.16534	11.7
263.20078	100.0
263.24063	16.2
264.07764	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	263.2007
Annotation	(Z)-alpha-trans-Bergamotol acetate
Peak:m/z	Relative Intensity
53.03940	2.2
55.01864	1.2
55.05521	6.9
57.07067	2.8
61.02936	2.5
63.03497	1.2
65.03912	1.5
67.05502	26.5
69.07072	18.3
69.87670	7.2
71.04983	6.8
73.29402	1.5
77.06091	1.1
79.05497	8.9
81.07058	30.0
81.07531	1.9
82.61219	1.6
83.08608	5.1
85.06534	7.6
91.05494	13.1
93.07043	19.4
95.04966	3.1
95.08606	78.5
97.06535	3.0
97.10175	1.3
98.81910	1.2
99.08073	2.7
105.07026	23.2
107.08595	38.0
109.06519	4.5
109.10157	65.2
111.08067	1.9
113.09634	1.6
117.07005	3.5
119.08587	41.2
121.10153	25.3
123.08070	7.7
123.11706	15.1
125.09628	3.1
129.07033	1.8
131.00175	1.6
131.08582	11.1
133.10143	27.0
135.08032	5.2
135.11679	5.1
137.09625	4.1
142.07851	2.1
143.08617	8.7
145.10114	25.4
147.08047	4.5
147.11694	23.7
149.01236	2.1
149.09680	6.1
149.13202	3.3
151.11188	42.2
156.03612	2.0
156.09340	3.4
157.10156	8.2
158.10892	2.0
159.11679	13.9
161.09604	3.6
161.13266	13.2
163.11171	1.8
163.14833	4.2
165.12788	2.4
167.54410	1.6
170.10841	1.5
171.11705	16.8
172.12456	2.4
173.13289	13.9
175.11208	8.0
175.14815	18.6
177.12747	3.6
185.13280	5.5
187.14832	23.0
189.12746	16.9
199.14877	2.3
201.16394	23.0
203.14240	2.8
203.17963	24.5
205.15819	1.7
217.15820	3.5
227.17979	16.7
245.19016	100.0
263.16498	6.7
263.20096	48.2
263.23636	7.9
264.13080	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2008
Annotation	Panaxjapyne B
Peak:m/z	Relative Intensity
52.30378	1.7
55.01863	2.1
55.05518	16.5
56.96556	2.7
57.02422	2.0
57.03427	9.1
57.07078	5.1
57.45160	1.7
58.06612	2.5
65.03925	2.3
67.05508	26.3
68.82397	2.0
69.03428	2.6
69.07069	37.2
69.20921	10.3
69.21349	7.9
71.04978	8.2
74.06091	2.0
79.05499	19.5
81.06593	4.5
81.07058	62.7
83.04980	5.3
83.08608	5.6
85.06546	49.5
85.11657	2.0
88.07630	8.9
89.07954	1.8
91.05475	25.0
93.07046	40.4
95.04974	7.7
95.08616	56.9
97.06543	5.9
97.10144	2.7
98.97594	5.8
99.08098	35.6
105.07039	39.5
106.07391	1.9
107.04936	4.1
107.08598	45.1
109.06536	10.0
109.10168	24.6
111.08095	5.3
113.09653	14.4
115.05400	2.1
115.07565	8.3
117.07011	8.3
119.08582	34.8
121.06506	26.7
121.10146	27.3
123.08064	16.9
123.11697	9.3
125.09637	7.0
128.06238	5.4
129.07033	6.9
131.08572	23.6
133.06517	3.1
133.10143	25.6
135.08069	15.4
135.11687	17.6
137.05954	2.7
137.09615	4.1
142.07774	3.6
143.08559	16.4
144.09357	4.1
145.10138	26.7
147.08051	7.0
147.11708	19.9
149.09637	20.3
149.13245	15.4
151.11179	4.6
153.05533	2.1
157.10114	13.9
158.99658	3.9
159.11694	54.7
161.09621	8.2
161.13258	12.6
163.11215	14.3
163.14777	3.8
167.10626	2.3
170.10902	2.6
171.11720	15.9
173.13258	38.4
175.11223	10.1
175.14824	4.8
177.12770	6.4
185.13303	21.0
187.14801	2.8
189.12766	11.4
189.16348	3.8
190.00887	2.4
191.14325	8.0
199.14771	6.9
201.16393	14.5
203.14293	12.3
203.17920	6.1
207.11873	2.0
207.13812	2.8
215.22035	10.6
217.15970	4.9
217.19504	3.4
221.13425	2.2
227.14267	2.6
227.18002	16.1
233.13173	2.2
245.15306	6.6
245.19028	100.0
263.16052	16.6
263.20044	63.6
263.24149	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	263.1643
Annotation	[1R-(1alpha,4abeta,6alpha,8aalpha)]-1,2,4a,5,6,8a-Hexahydro-6-hydroxy-4,7-dimethyl-a-methylene-1-naphthaleneacetic acid methyl ester
Peak:m/z	Relative Intensity
51.52876	1.7
53.03935	3.5
55.01876	14.5
55.05514	16.7
57.03444	9.7
57.07076	3.0
58.97689	1.5
61.14637	1.6
65.03948	2.1
65.75117	1.7
67.05511	36.3
69.03426	3.7
69.07076	66.1
70.06602	1.9
70.65689	3.9
70.66045	2.3
71.05012	10.7
71.68331	1.5
72.63813	1.7
73.27148	1.8
79.05499	40.0
81.03402	4.3
81.07063	48.7
83.04975	11.0
83.08624	3.9
85.02901	13.4
85.06561	20.2
87.04472	11.3
89.40558	1.6
91.05487	53.9
93.07056	54.2
95.04980	7.9
95.08617	55.3
97.06540	41.0
99.04463	3.4
99.08086	4.6
101.02414	1.7
103.05467	4.5
105.07039	100.0
107.04942	9.7
107.08605	51.5
109.06522	18.7
109.10165	31.1
111.04469	2.9
111.08105	10.1
113.09687	2.5
115.03930	5.6
115.05453	5.1
117.07025	16.1
119.08592	46.7
121.06503	10.6
121.10151	29.4
123.08060	14.5
123.11714	9.0
125.06008	4.1
125.09622	14.1
128.06223	4.4
129.07025	20.5
130.07813	2.3
131.08586	39.5
132.05748	1.8
133.06506	28.2
133.10136	44.1
135.08110	9.2
135.11702	31.7
137.09644	10.6
139.11208	4.4
142.07771	4.8
143.08571	27.0
145.06508	2.4
145.10138	33.6
147.08069	22.4
147.11699	36.8
149.05998	1.9
149.09642	27.5
149.13277	15.1
151.07555	23.8
151.11206	5.6
153.12729	4.1
155.08586	3.7
156.09351	2.0
157.10146	21.9
159.11708	20.4
161.09621	11.5
161.13289	11.0
163.11218	9.9
163.14784	4.7
165.09126	4.1
167.08519	3.1
169.10167	2.1
170.10968	3.8
171.11702	16.8
173.09639	4.1
173.13222	8.3
175.07542	4.9
175.11162	9.5
175.14832	8.2
179.14294	2.1
181.10196	4.3
183.11749	6.1
185.09711	3.8
185.13272	34.6
187.11156	2.7
187.14828	3.9
189.09038	4.1
189.12750	11.8
189.16351	4.3
191.10674	9.4
193.08658	2.6
193.12209	2.0
199.07571	1.8
199.14896	15.9
201.12762	2.7
201.16371	13.6
203.14320	22.9
203.17999	4.1
207.13814	2.3
209.13324	4.2
210.10252	2.2
215.17894	2.8
217.12372	2.5
217.15895	17.1
219.17603	1.9
227.14388	12.7
227.17944	23.9
231.08115	2.2
233.18895	2.0
235.16963	3.8
245.15385	44.9
245.19055	67.3
263.10635	4.6
263.16473	47.7
263.20093	63.9
263.24051	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	263.1643
Annotation	[1R-(1alpha,4abeta,6alpha,8aalpha)]-1,2,4a,5,6,8a-Hexahydro-6-hydroxy-4,7-dimethyl-a-methylene-1-naphthaleneacetic acid methyl ester
Peak:m/z	Relative Intensity
50.39939	2.0
52.39608	1.8
55.01867	14.7
55.05509	13.1
57.03437	7.8
60.55182	1.8
65.91321	1.8
67.05511	28.2
69.03438	3.0
69.07071	61.7
69.27673	18.4
71.04984	14.0
73.02902	3.0
79.05494	39.5
81.03423	5.1
81.07055	38.2
81.70052	2.1
83.04989	10.0
83.08603	2.5
85.02908	17.8
85.06538	8.7
87.04468	18.6
91.05486	60.9
93.07049	37.9
95.04978	6.6
95.08612	26.4
97.06515	11.5
99.04443	3.9
99.08114	4.0
101.02362	4.3
103.05467	6.8
105.07037	100.0
107.04952	8.2
107.08601	28.1
109.06530	24.2
109.10147	5.4
111.04452	3.1
111.08083	4.0
113.05980	2.9
113.09714	2.4
115.03954	7.2
115.05439	3.9
116.06174	2.2
117.07024	16.6
119.04941	3.5
119.08581	31.0
121.06502	9.6
121.10140	23.1
123.08048	15.7
123.11729	3.2
125.05971	2.1
125.09628	11.7
128.06212	5.4
128.71652	2.1
129.07011	30.4
131.08574	33.4
133.06496	33.1
133.10121	31.9
135.08046	9.9
135.11711	18.8
137.05989	5.4
137.09583	5.2
137.13213	2.7
139.07568	2.2
141.07014	3.4
142.07813	4.2
143.08577	25.2
145.06464	2.9
145.10138	24.1
147.08063	27.8
147.11684	31.4
149.05922	3.1
149.09602	25.6
149.13275	8.6
151.07550	35.3
151.11223	2.8
153.09006	2.1
155.08592	3.9
157.06485	3.2
157.10161	20.7
159.08037	3.0
159.11722	10.0
161.05994	2.9
161.09653	10.0
161.13289	7.8
163.07495	4.9
163.11151	5.7
163.14925	3.1
165.09090	3.7
169.10120	2.7
171.04393	4.9
171.08000	3.0
171.11690	10.4
173.09567	7.8
173.13254	5.5
175.07541	15.2
175.11200	5.9
175.14859	4.2
177.09074	4.7
177.12810	3.3
179.14345	8.5
181.10118	3.2
183.11665	9.4
185.06039	2.9
185.09630	4.0
185.13271	32.8
187.11118	2.4
189.09093	5.8
189.12782	11.9
191.10692	10.8
193.08725	2.6
199.11209	2.4
199.14838	13.6
201.12668	2.8
202.07837	2.8
203.06987	6.7
203.08577	11.0
203.10748	5.5
203.14354	17.2
203.17918	4.9
205.12201	2.7
209.13318	9.7
217.08578	4.5
217.15874	23.5
219.08087	3.7
220.08720	3.9
227.14339	15.2
227.17979	5.0
231.08022	6.6
235.16821	3.8
245.15375	67.5
245.18974	9.5
248.08301	6.5
263.10828	20.6
263.16443	56.9
263.20068	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	263.1642
Annotation	[1R-(1alpha,4abeta,6alpha,8aalpha)]-1,2,4a,5,6,8a-Hexahydro-6-hydroxy-4,7-dimethyl-a-methylene-1-naphthaleneacetic acid methyl ester
Peak:m/z	Relative Intensity
53.03947	4.9
55.01866	11.4
55.05510	14.7
57.03440	5.8
57.07073	4.0
63.61012	1.9
64.20950	1.8
65.03945	2.4
67.05508	40.3
69.03430	4.3
69.07074	16.0
70.46755	7.7
71.04654	3.1
71.04998	32.9
77.03946	2.7
79.05496	53.0
79.05963	2.6
81.03426	5.8
81.07056	39.9
83.04977	9.4
83.08611	4.7
83.34409	2.1
85.02918	5.0
85.06545	33.0
87.02708	2.9
87.04485	3.9
91.05482	72.9
93.07050	43.9
95.04973	7.2
95.08608	19.0
95.77968	1.9
97.06538	15.3
103.05449	4.8
105.07037	76.1
107.04980	4.9
107.08601	19.0
109.06530	8.2
109.10180	8.2
111.04462	2.9
111.08075	12.5
115.05463	8.8
116.05391	2.7
116.06199	3.0
117.07020	55.4
119.08584	43.4
121.06516	14.6
121.10152	11.8
123.08061	5.7
123.11753	2.3
125.06053	3.2
125.09634	3.8
128.06213	20.6
129.06042	3.2
129.07011	58.8
129.07936	4.0
130.07785	3.4
131.04912	2.4
131.08574	54.0
133.06505	9.3
133.10139	24.8
135.08057	10.2
135.11697	9.1
135.78568	1.9
137.06013	2.9
137.09621	9.1
139.07559	3.2
141.07002	10.4
142.07805	12.2
143.06429	2.6
143.08569	79.9
144.09317	4.0
145.06490	3.4
145.10124	30.0
147.08083	15.5
147.11711	10.9
149.06021	4.4
149.09628	9.6
149.13344	2.9
151.07594	5.7
151.11145	2.2
155.08545	12.9
156.09334	4.8
157.10143	47.8
159.08073	6.2
159.11702	23.2
161.09627	13.8
161.13301	5.0
163.07573	7.0
163.11127	3.2
163.14830	3.6
165.09142	8.3
167.08568	8.2
168.09319	4.0
169.10229	2.7
170.10963	4.4
171.08089	6.3
171.11684	20.5
173.09673	5.6
173.13280	5.5
175.07578	3.1
175.11134	3.4
175.14856	5.4
177.09174	7.1
177.12819	2.4
179.10654	2.4
181.10132	15.8
183.11719	30.6
185.09654	14.1
185.13258	86.3
187.14780	2.7
189.09067	6.0
189.12769	3.0
191.10664	4.6
199.11127	9.6
199.14816	17.3
201.12822	6.6
201.16565	2.7
203.06955	2.9
203.10738	5.7
203.14320	24.7
209.13240	32.7
217.12218	5.4
217.15941	9.2
219.13826	11.5
227.14316	40.3
227.17871	3.0
245.15392	59.3
245.19046	7.1
245.22520	2.0
263.10452	6.7
263.16476	100.0
263.20068	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	263.1643
Annotation	[1R-(1alpha,4abeta,6alpha,8aalpha)]-1,2,4a,5,6,8a-Hexahydro-6-hydroxy-4,7-dimethyl-a-methylene-1-naphthaleneacetic acid methyl ester
Peak:m/z	Relative Intensity
50.57378	2.2
53.03946	8.0
55.01874	14.8
55.05514	25.1
57.03437	5.4
57.07082	2.2
65.03926	2.2
67.05508	34.6
69.03426	3.0
69.07072	30.7
69.20007	21.0
71.04994	19.8
74.23228	1.9
76.78280	2.3
79.05499	53.5
81.03415	3.8
81.07059	65.2
83.04976	13.3
83.08629	8.9
85.02909	12.3
85.06543	24.6
87.04472	28.4
91.05483	65.5
93.07040	58.3
95.04967	12.2
95.08607	40.2
97.06532	19.4
97.10155	2.6
99.04443	3.3
99.08089	5.3
100.86607	1.8
101.02406	3.8
103.05508	3.4
105.04551	2.4
105.07033	100.0
107.04944	9.9
107.08591	39.6
109.02956	2.7
109.06519	21.0
109.10159	20.3
111.04445	4.6
111.08096	14.3
113.06004	5.0
115.03938	14.7
115.05437	5.0
117.07019	31.7
119.04958	2.7
119.08591	61.9
121.06499	17.5
121.10150	23.3
123.08069	22.6
123.11713	6.2
125.09640	8.0
127.11196	6.9
128.06227	9.1
129.07016	33.8
130.07739	3.6
131.08563	38.7
133.06483	18.9
133.10136	44.8
133.11098	3.0
135.08044	19.7
135.11691	22.3
137.06000	6.4
137.09613	7.8
138.06267	2.0
139.07539	3.8
141.07010	5.2
142.07805	7.4
143.08569	44.9
145.06485	5.2
145.10127	45.3
147.08044	24.5
147.11684	39.1
149.06013	3.8
149.09631	14.4
149.13245	12.9
151.07552	24.9
151.11186	3.8
155.08583	5.0
156.09344	5.0
157.10138	28.6
159.08070	5.5
159.11685	21.9
161.09615	14.9
161.13257	10.1
163.07562	8.3
163.11182	7.7
165.09138	8.8
167.07095	2.2
167.08553	6.2
168.09337	2.7
169.08739	2.6
169.10135	9.6
170.10837	3.7
171.08040	3.4
171.11693	14.7
173.09656	4.0
173.13251	5.7
175.07597	3.9
175.11221	6.1
175.14883	9.7
177.09076	2.5
177.12811	4.5
179.10701	2.4
179.14287	3.0
181.08592	2.6
181.10127	7.2
183.11685	14.4
185.09654	7.6
185.13254	56.9
187.11180	8.7
187.14842	2.7
189.09119	6.9
189.12746	7.8
189.16376	4.0
199.11215	5.5
199.14821	25.3
201.12766	5.0
201.16409	6.6
203.08853	3.0
203.10591	9.7
203.14276	25.7
205.12273	15.1
207.10054	2.8
209.13277	11.8
217.12285	4.1
217.15846	26.1
219.13795	3.1
221.15309	4.4
227.14330	28.7
227.17841	10.0
235.16977	2.8
245.11714	3.9
245.12560	2.8
245.15392	90.0
245.19009	13.1
263.10562	7.1
263.16455	99.3
263.20050	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	263.0914
Annotation	3,4-Dihydro-1,2-secomicrominutinin
Peak:m/z	Relative Intensity
51.22073	2.1
53.03950	2.8
55.01863	9.0
56.05027	7.3
56.94294	1.9
56.96550	3.7
60.27098	2.0
61.01155	6.0
67.05522	4.3
68.99801	3.9
69.03420	7.0
70.06584	6.3
71.01337	2.2
71.04971	2.4
71.48352	3.0
73.02892	3.6
79.05485	9.2
81.03422	8.6
81.07045	3.7
85.02432	3.5
85.02913	43.4
86.09684	2.7
87.04441	2.7
91.05478	12.8
93.07040	3.3
95.04966	5.1
95.08632	3.0
95.21782	2.0
97.02896	15.6
98.97569	3.6
99.04474	3.2
103.05489	11.7
104.05334	13.5
105.07034	10.6
107.04956	9.1
109.02838	4.5
109.06516	2.4
111.04449	21.9
114.70243	1.9
115.05463	9.2
116.06345	2.1
116.07063	11.1
116.98578	2.2
117.07030	6.9
119.03637	2.8
119.04933	10.4
119.08581	7.8
120.08129	15.3
123.04436	58.2
128.06232	27.9
129.07021	45.2
131.04930	13.5
131.08569	3.7
132.05707	2.4
132.08101	6.8
133.06479	4.1
135.04396	11.1
136.05226	5.7
137.02391	3.1
137.05983	79.0
141.06973	5.2
143.04982	2.9
143.08548	18.9
145.06467	10.2
146.06026	5.0
147.04417	45.5
147.08028	5.7
149.05995	12.8
152.04138	2.8
152.06207	9.9
153.06981	28.5
155.04878	2.7
155.06053	2.9
157.06491	35.3
159.03326	4.7
160.05185	14.8
161.05991	13.2
163.03886	17.8
164.04633	2.2
165.05533	14.0
167.07014	2.5
169.06384	4.6
171.08083	19.2
173.05948	14.3
174.06805	17.3
175.07552	69.5
177.05577	13.2
181.06468	22.5
182.05162	9.0
182.07001	7.2
184.05176	7.5
185.06012	10.4
187.07549	3.4
188.07059	4.3
189.05452	4.9
189.07268	2.3
189.09148	14.4
191.05678	15.0
191.07178	3.2
199.07538	47.8
201.05453	5.6
202.06296	2.4
202.08086	4.2
203.07030	17.7
203.08626	3.1
205.08609	4.1
209.05843	4.7
215.10663	4.7
217.08574	26.7
217.15662	2.2
220.05077	2.7
227.07045	35.7
231.12108	3.9
235.07555	6.2
239.02229	2.9
245.08118	100.0
263.06970	8.5
263.09207	36.4
263.14178	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	263.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	1.4
65.69548	0.6
68.98297	0.7
70.21371	2.2
70.99854	1.0
73.02920	0.7
81.26384	0.7
82.99828	6.4
86.99297	0.7
94.99841	1.3
97.02895	2.3
98.97560	1.0
101.00890	47.4
113.00864	11.1
119.01924	31.7
120.02002	0.7
127.02435	0.7
131.01913	14.8
137.02975	2.0
143.01909	83.9
145.03377	0.7
149.02928	1.0
155.01895	14.5
157.03482	2.0
161.02966	100.0
162.03110	1.1
167.01906	2.3
173.02982	27.4
175.04535	1.1
177.03970	0.9
179.04106	0.7
181.03514	0.8
184.04744	1.0
185.02963	6.7
191.04016	13.7
195.05043	3.6
197.03003	2.5
203.04015	29.9
204.04237	0.8
215.04077	1.9
221.05013	3.3
233.05037	2.4
263.03812	0.9
263.06161	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	263.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
58.09613	0.4
61.82205	0.5
63.66703	0.5
68.00224	0.6
69.03474	0.5
70.15734	1.8
70.99846	1.0
73.02895	0.6
77.00892	0.7
82.99831	3.4
85.02901	0.8
86.99309	0.8
89.00879	0.6
97.02875	1.3
98.97571	2.4
100.02432	0.5
100.79323	0.5
101.00886	37.0
102.00968	0.9
102.96880	2.6
103.00649	2.6
109.02885	0.5
113.00871	7.2
115.02432	0.9
116.98617	2.0
119.01929	46.9
120.02022	2.0
120.97926	0.7
121.01663	4.0
127.02454	1.0
131.01920	18.1
134.99718	1.0
137.02931	3.8
138.98897	0.6
139.02452	1.9
142.03520	1.7
143.01904	46.2
144.01950	0.6
145.03481	3.5
149.02953	1.7
155.01888	9.5
157.03490	7.0
159.01418	1.2
160.99620	1.8
161.02966	91.7
162.03021	0.9
167.01888	2.5
172.10226	0.5
173.02968	23.8
175.04518	1.5
177.00926	1.2
178.00938	0.8
179.00688	13.1
179.04036	2.2
184.04591	1.9
184.99609	0.8
185.02977	9.5
191.02365	0.4
191.04015	13.3
197.02974	2.3
203.00977	3.1
203.04012	21.4
214.05696	0.7
215.04068	1.9
216.95020	1.6
219.01936	0.9
219.03944	2.3
220.02094	0.9
221.01790	20.3
221.04893	4.6
227.00800	1.8
233.05074	2.0
239.06131	2.9
239.96429	1.5
239.98560	4.0
245.01799	14.0
245.04807	0.9
257.96982	0.6
261.03168	1.4
263.02921	100.0
263.06143	38.3
264.00415	1.3
264.03137	1.8
264.06244	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
63.23461	3.6
70.24654	10.6
70.25047	6.0
82.99853	6.2
98.21495	4.9
101.00899	42.9
104.10747	15.6
113.00866	10.2
119.01909	26.6
131.01918	10.7
143.00861	8.1
143.01912	94.4
155.01912	22.2
161.02980	100.0
173.02979	37.8
185.02931	5.7
191.04025	13.6
203.03981	20.8
263.01639	15.0
263.06229	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	263.0164
Annotation	Unknow
Peak:m/z	Relative Intensity
69.22881	100.0
74.23704	10.0
101.00896	33.2
119.01932	27.4
134.02927	10.2
143.01894	60.2
154.88197	9.4
155.01938	21.8
161.02994	64.6
170.59642	10.5
173.02980	31.3
191.03931	11.6
203.04027	12.6
263.01660	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	262.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	2.8
57.07064	3.1
57.43676	0.7
58.06605	5.5
67.05510	6.5
69.07059	3.3
70.06570	0.7
70.98554	1.5
70.98894	0.7
79.05501	4.9
80.05015	2.1
81.05801	2.0
81.07059	5.3
82.06576	4.5
83.08617	0.9
90.69743	0.7
91.05476	6.6
93.07060	5.3
94.06570	16.3
95.07359	6.1
95.08602	2.7
96.08134	2.2
105.06384	0.8
105.07039	6.0
107.07381	0.8
107.08599	1.4
108.08098	3.9
108.58853	0.7
109.10165	1.4
119.08584	4.5
121.10147	1.7
122.09650	2.2
133.10133	2.3
135.11633	1.5
136.11246	1.1
147.11626	1.0
161.13205	1.0
171.32808	0.7
189.09129	1.2
224.74126	0.7
234.22226	0.8
245.22635	0.8
262.14374	1.3
262.18069	10.4
262.25311	100.0
263.25671	0.8
275.80795	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2213
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03937	4.7
53.05716	1.1
53.52676	1.1
54.22070	1.2
55.01853	1.6
55.05515	14.4
56.87181	1.1
57.03432	1.2
57.07066	4.7
67.05505	37.9
69.07072	13.9
69.07433	1.8
71.05000	2.9
71.08635	2.2
79.05028	1.3
79.05494	50.5
81.07059	45.6
83.08616	8.4
85.06532	3.6
91.05484	25.9
93.07044	66.6
95.04961	2.8
95.08611	36.4
97.06499	2.8
97.10171	3.8
97.77183	1.3
99.08092	3.7
105.07022	18.6
107.08596	46.6
109.06491	2.8
109.10160	15.0
111.08106	2.4
113.09624	1.5
117.07006	7.9
119.08588	12.3
121.10144	43.5
123.08050	2.0
123.11662	3.6
125.09648	2.1
129.07054	1.6
131.08592	15.6
132.94006	1.4
133.10144	13.0
135.11691	32.7
137.09584	2.2
137.13239	1.4
145.10126	14.8
147.11673	12.0
149.09547	1.7
149.13258	25.6
159.11681	12.1
161.13289	12.7
163.14819	18.6
165.12816	1.2
173.13277	14.1
175.14848	5.4
177.16385	5.2
179.14337	1.7
187.14838	6.9
201.16396	3.7
215.17964	2.7
223.19012	1.2
243.17427	2.6
243.21097	31.4
261.22147	100.0
262.22464	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2215
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
50.14444	0.7
53.03938	3.5
54.25877	0.7
55.01865	1.3
55.05279	1.0
55.05516	13.4
57.03442	1.0
57.07064	3.6
65.03944	1.0
67.05508	39.5
69.07069	12.4
71.04991	2.6
71.08607	1.6
71.09715	1.5
77.03928	0.9
79.05496	56.8
81.07061	44.4
83.08617	7.1
85.06538	3.7
86.34132	0.8
91.05485	27.1
93.07049	70.3
95.04969	2.6
95.08611	31.7
96.75968	0.7
97.06531	3.7
97.10163	3.4
99.08076	3.4
105.07034	17.6
107.08604	43.1
109.06495	2.1
109.10149	14.2
111.08080	3.0
117.07014	5.5
119.08587	16.8
121.10151	41.9
123.08095	1.8
123.11720	4.0
125.09647	1.1
131.08583	11.9
133.10150	13.1
135.11696	34.8
137.09683	0.8
143.08578	0.9
145.10133	12.4
147.11717	9.9
149.09583	0.8
149.13268	26.3
151.11253	1.2
151.14813	1.4
159.11688	8.2
161.13263	13.1
163.14827	20.2
165.12733	1.0
173.13289	9.7
175.14841	4.9
177.16399	4.0
179.14308	2.0
187.14832	7.6
201.16432	3.0
203.17871	0.9
215.17941	1.3
219.17441	1.2
233.22786	1.1
243.21107	30.8
261.22150	100.0
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	Unknow
Peak:m/z	Relative Intensity
51.02365	0.8
53.03947	3.4
55.05511	14.3
57.03420	1.8
57.07072	4.4
59.04983	0.8
61.14867	0.6
65.03931	2.2
65.63644	0.6
67.05505	42.3
69.03429	0.8
69.07068	13.4
69.83674	2.7
71.04983	2.8
71.08620	1.5
77.03928	1.3
79.05495	59.5
81.07057	50.3
83.04990	1.3
83.08620	6.4
85.06539	4.2
85.10135	0.8
91.04904	1.4
91.05482	32.3
93.07043	77.0
95.04968	3.8
95.08607	38.4
97.06577	3.0
97.10162	1.9
98.21406	1.1
99.08098	3.9
105.04514	1.9
105.06310	0.9
105.07027	20.5
107.08596	48.9
109.06512	3.0
109.10163	16.1
109.10921	0.8
111.08074	3.2
111.11642	0.9
113.09643	0.8
114.54184	0.6
117.07013	6.5
119.08585	18.0
121.10142	44.2
122.10402	0.6
123.08047	2.1
123.11700	4.5
125.09631	1.2
128.60957	0.6
129.06970	0.8
131.08578	13.8
133.10139	14.5
135.11694	36.4
137.09616	2.2
137.13239	1.6
143.08646	0.6
144.09338	0.7
145.10124	18.2
147.11711	10.8
149.09663	0.7
149.12062	1.5
149.13257	26.6
151.11220	1.2
151.14722	0.7
159.11700	11.7
161.13260	12.2
163.11189	1.4
163.14827	20.2
165.12691	0.8
173.13268	9.7
175.14882	5.4
177.12776	1.2
177.16402	5.8
179.14316	1.8
187.14868	7.6
189.16344	1.2
191.14330	1.0
199.14742	0.7
201.16379	2.9
205.15785	1.4
215.17920	2.7
219.17416	0.9
225.16455	0.8
233.22585	1.7
243.07916	2.2
243.21085	30.5
261.09000	2.2
261.22137	100.0
262.22311	1.0
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	Unknow
Peak:m/z	Relative Intensity
51.02382	0.6
53.03948	2.8
55.01870	1.1
55.05511	12.0
57.03433	1.4
57.07080	3.6
57.83879	0.4
59.05018	0.5
65.03941	1.9
67.05506	40.1
69.07066	12.6
69.46796	0.4
69.77928	0.4
69.84007	1.1
69.84396	1.1
71.04988	2.4
71.08626	1.1
71.93118	0.5
77.03927	1.1
79.05495	56.5
81.03444	0.7
81.07056	49.4
83.04985	0.8
83.08616	7.3
85.06539	4.4
89.47301	0.4
90.70906	0.5
91.04900	0.9
91.05484	28.0
93.07046	67.4
95.04984	3.9
95.08607	34.0
97.06527	3.4
97.10182	2.1
99.08096	3.4
105.04521	1.3
105.07031	18.9
107.04932	0.7
107.08596	41.7
109.06534	2.0
109.10160	13.9
111.08085	2.9
113.09675	0.9
117.07014	6.3
119.04871	0.4
119.08585	15.4
121.10145	45.4
123.08061	1.6
123.11710	4.7
123.22741	0.4
125.09659	1.0
127.11189	0.7
129.07007	0.7
130.07811	0.5
131.08566	13.4
133.10130	13.4
135.08128	0.7
135.11693	35.7
136.12057	0.4
137.05971	0.6
137.09624	1.4
137.13251	1.2
143.08540	0.7
145.10121	12.7
146.71278	0.4
147.04414	0.8
147.11697	13.0
147.12820	1.0
149.09627	1.3
149.12062	1.2
149.13261	24.4
151.11227	1.1
151.14857	0.5
153.12766	0.6
159.11703	10.2
161.13264	11.6
163.14824	17.9
165.12746	1.8
171.11710	0.9
173.13260	9.9
175.14841	4.8
177.12778	1.1
177.16406	4.9
178.96622	0.5
179.14285	1.4
185.13359	0.5
187.14816	7.1
189.16385	0.8
191.14340	0.8
193.15797	0.6
201.16356	2.6
201.36520	0.4
209.35736	0.4
210.46475	0.5
211.45154	0.4
215.17975	1.2
219.17482	1.2
233.22752	1.1
243.21086	28.2
247.74648	0.4
261.14853	2.0
261.22137	100.0
262.22528	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2213
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02370	0.8
53.03946	2.8
55.05513	14.2
57.03452	1.0
57.07080	3.9
65.03940	1.9
67.05505	40.7
69.07070	12.1
69.80447	1.9
69.80858	0.8
71.04983	2.0
71.08643	1.2
77.03922	1.5
77.41565	0.5
79.05495	54.8
81.07056	48.5
83.04958	1.2
83.08619	7.4
84.96996	0.5
85.06541	3.0
91.04906	1.2
91.05482	26.5
93.07043	73.3
95.04973	3.5
95.08606	30.9
97.06518	3.6
97.10197	2.8
97.68062	0.5
98.21485	1.0
99.08128	3.0
105.04498	1.5
105.07031	18.1
107.08598	44.0
109.06534	1.7
109.10158	12.7
111.08102	3.1
112.14803	0.5
113.09605	1.0
117.07021	5.7
119.06053	0.9
119.08584	14.1
121.10146	38.4
122.77974	0.5
123.08049	1.2
123.11731	4.6
125.09612	1.3
130.07738	0.8
131.08568	13.2
133.10132	14.0
135.11693	34.6
137.09612	1.5
137.13240	2.2
139.11092	0.6
145.10127	14.1
147.11694	12.3
149.09581	0.6
149.13263	26.1
151.11153	0.6
151.14857	0.6
153.12700	1.1
159.11705	9.1
161.13260	11.8
163.11194	0.8
163.14815	16.3
163.16122	1.2
165.12756	1.6
173.13283	9.8
175.14790	4.9
177.16423	4.5
179.14287	2.3
187.14801	7.5
189.16318	0.7
201.16393	3.4
205.15822	0.8
215.18024	1.7
217.19438	1.1
219.17465	0.7
228.59857	0.6
233.22588	1.1
243.21089	27.9
261.22141	100.0
262.22397	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0307
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	1.2
70.30818	0.4
70.31186	0.4
82.99811	1.2
86.25519	0.2
87.40614	0.2
87.44017	0.2
88.28290	0.2
98.97584	7.8
100.97993	0.2
101.00885	6.2
102.01033	0.2
102.68742	0.2
106.61877	0.2
116.98605	2.4
119.01922	6.6
120.02111	0.2
122.97803	0.3
124.99120	0.2
134.99718	0.8
137.02953	0.4
140.98801	1.8
141.98869	0.3
143.01956	0.3
158.99886	4.1
161.02954	0.4
165.99570	0.4
170.99680	0.2
173.01291	0.2
175.03001	0.5
176.93713	0.3
177.00954	12.1
178.01054	0.4
182.99913	1.7
199.02957	0.4
201.00917	4.2
217.04074	2.6
219.02003	18.1
220.02185	0.7
225.00874	2.7
225.02852	0.2
233.73033	0.2
234.00644	0.2
237.02942	0.2
237.98788	1.3
238.98450	0.3
243.02005	17.5
244.02141	0.6
261.03058	100.0
262.03210	3.5
263.03424	0.4
266.03400	0.2
278.97058	0.3
279.00610	2.0
284.04559	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1282
Annotation	Ravesilone
Peak:m/z	Relative Intensity
52.00734	0.4
55.98186	0.4
63.11121	0.4
65.04459	0.4
69.64607	0.9
69.65011	1.4
79.05520	0.4
81.07053	0.4
82.86684	0.5
87.36686	0.4
91.05484	0.7
95.08630	0.6
97.02908	0.6
97.06524	0.5
99.91808	0.4
105.07048	0.9
107.08609	0.4
119.08588	0.9
133.05179	0.6
137.33031	0.4
139.11221	0.7
143.08586	0.5
146.06013	0.7
147.06810	0.4
147.10448	0.5
148.03944	0.6
159.11702	0.5
160.07591	0.5
161.04723	3.0
162.05461	4.8
163.03900	0.5
170.06120	0.5
171.10428	0.6
174.05519	6.4
174.09114	0.4
175.06226	0.8
176.07063	7.3
186.05383	0.5
188.07045	4.0
189.04193	6.5
190.04997	18.6
198.05405	0.7
199.14856	0.7
201.04182	0.8
201.16484	0.5
202.04991	25.3
203.05750	1.9
204.06570	3.3
205.07292	2.4
214.08557	0.5
216.06560	19.1
217.07231	0.6
227.09322	2.6
230.08151	1.5
231.08965	0.6
232.09647	0.4
232.13347	1.8
243.17473	1.3
244.09621	0.6
245.10483	36.4
260.12830	100.0
261.13095	1.6
261.18500	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2058
Annotation	Bactacine
Peak:m/z	Relative Intensity
53.03927	0.8
54.06071	0.5
55.05510	3.0
57.07073	4.1
67.05238	0.6
67.05508	6.2
69.03414	0.6
69.07073	6.4
69.16729	6.6
71.04977	2.5
79.05500	3.9
81.07059	28.9
83.08620	1.1
85.06541	2.0
91.05493	3.6
93.07058	6.7
95.04964	2.6
95.08611	15.4
97.06520	1.0
98.20789	1.1
105.03388	2.0
105.07037	8.2
107.08604	7.2
109.06523	4.6
109.10159	7.6
111.08089	1.2
117.07034	2.4
119.08591	9.1
121.06508	0.7
121.10149	5.6
122.89088	0.7
123.08070	2.4
123.11710	61.5
128.06163	0.8
129.01848	2.4
129.06976	0.9
131.08565	3.9
133.10143	4.9
135.08052	12.0
135.11691	2.0
136.08885	0.6
137.09624	10.3
139.11136	1.4
141.74866	0.6
142.07753	0.7
143.08575	1.7
145.10136	10.1
147.11687	4.5
147.39397	0.6
149.09610	2.4
149.13234	1.3
151.11165	0.9
156.09381	1.1
157.10158	3.8
159.11693	5.1
161.09674	1.3
161.13280	3.0
163.11198	1.9
165.12752	1.3
170.10901	0.8
171.11713	2.5
173.13269	3.2
175.11235	1.4
175.14818	4.2
177.12660	0.8
185.13214	3.3
187.14806	1.2
189.12762	2.8
190.13556	1.0
191.14313	1.1
199.14813	1.8
201.16377	6.7
203.14296	1.6
215.17975	2.1
217.19514	1.7
241.19539	5.5
259.20581	100.0
260.20798	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	259.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	12.8
57.07067	7.1
67.05496	10.8
68.99795	3.8
69.03426	3.4
69.07072	38.9
71.05004	23.9
71.49328	2.9
71.85230	1.9
79.05485	6.2
81.07058	26.5
83.04965	4.0
83.08607	8.6
85.06554	17.2
90.16151	1.9
91.05484	14.5
93.07049	17.6
95.04965	3.5
95.08613	21.1
96.72413	2.3
97.06556	6.0
105.03385	9.8
105.07027	28.6
107.08615	21.9
109.06523	6.1
109.10152	16.8
111.08072	10.6
117.07005	6.6
119.08588	56.5
120.09528	2.1
121.10170	13.3
123.08080	3.4
123.11720	20.7
129.01839	9.6
129.07060	2.9
131.08572	16.5
133.10144	37.3
135.08038	10.9
135.11693	6.7
137.09647	5.0
142.07779	4.3
143.08556	12.5
144.22443	2.4
145.09064	3.8
145.10130	34.8
147.08066	3.4
147.11725	18.8
149.09636	2.8
151.11115	3.1
156.09346	6.0
157.10138	18.8
159.11688	30.4
161.09616	3.2
161.13249	31.5
163.11194	4.3
170.10965	3.1
171.11678	17.8
173.13301	11.1
175.11201	7.7
175.14833	74.3
176.15642	4.0
177.12733	4.8
177.16412	3.3
185.13261	18.4
189.12759	4.9
189.16458	5.1
190.13541	2.5
191.14417	2.2
199.14853	7.5
201.16402	23.8
203.14355	9.4
213.16365	3.0
215.17957	6.0
217.19502	3.9
219.69388	2.4
241.15938	2.7
241.19441	17.8
259.17035	8.5
259.20584	100.0
259.27237	8.7
281.56332	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	259.2057
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
52.59370	1.6
54.22392	1.6
55.01848	2.2
55.05517	12.0
57.07066	3.8
57.70195	1.7
57.70486	1.8
67.05529	8.7
69.07069	31.8
69.28339	16.7
71.04990	20.0
79.05481	7.3
80.66377	1.7
81.07069	17.3
83.05022	2.7
83.08628	5.9
85.06550	22.5
91.05496	8.3
93.07052	13.7
95.04974	2.9
95.08612	13.6
97.06528	4.7
97.10192	1.9
99.08070	2.2
105.07034	24.3
107.08595	20.2
109.06522	6.1
109.10155	15.2
111.08063	6.5
117.07003	7.2
119.08588	44.7
121.10141	13.6
123.08065	3.8
123.11707	23.3
129.06981	4.2
130.07741	2.6
131.08568	15.4
133.10129	34.0
135.08080	10.4
135.11717	4.9
136.34227	1.7
137.09599	4.4
142.07784	2.4
143.08545	8.7
144.09354	3.1
145.10133	31.6
147.11662	18.5
149.09641	3.6
149.13300	2.5
155.08411	1.9
156.09325	2.7
157.10158	15.0
159.11693	28.7
160.12428	2.1
161.09615	2.0
161.13249	30.0
163.11166	2.0
171.11728	14.9
173.13264	9.3
175.11192	6.4
175.14830	77.0
176.15569	4.6
177.12781	4.1
177.16406	3.8
182.10777	1.7
185.13254	11.9
187.14824	2.2
189.12683	5.7
189.16284	3.9
199.14821	4.7
201.16380	23.2
203.14348	7.1
215.17966	5.3
217.19572	3.2
241.19540	15.5
247.48294	2.0
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	259.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83284	0.7
55.05507	0.9
55.93532	1.1
56.05041	3.3
56.96571	3.2
67.05508	2.5
70.06604	1.0
71.42619	1.4
72.08158	1.6
72.93806	1.1
74.02448	100.0
80.63921	0.8
84.04511	96.7
84.08172	4.1
84.96076	0.9
85.02910	2.8
90.74085	0.7
95.04973	1.8
97.02883	1.4
98.97607	3.1
102.05551	2.0
110.06035	0.7
110.97589	1.0
111.13483	0.8
113.06032	5.2
114.05516	1.8
116.07121	0.8
116.98599	1.3
122.09644	1.3
123.04427	3.3
124.14149	0.7
127.03891	0.7
130.05011	42.9
130.08652	45.6
138.05502	0.8
139.06383	0.8
140.03423	1.0
146.02722	1.3
150.09148	17.9
152.84030	0.7
158.99672	1.0
162.38315	0.8
163.03873	1.4
164.04346	0.8
169.08571	2.2
170.02719	1.2
177.00697	1.2
178.02293	0.7
186.03989	0.8
195.08109	1.4
196.07970	1.3
196.09695	20.0
207.98111	0.7
218.97459	3.7
224.02692	2.4
235.01218	1.4
235.97427	3.2
236.98436	2.9
241.05237	2.1
241.08687	0.7
241.11790	2.5
242.10281	7.2
253.98199	2.4
258.99146	1.1
259.09869	3.2
259.12875	41.0
259.52481	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0967
Annotation	Luvangetin
Peak:m/z	Relative Intensity
53.03930	1.7
55.01874	11.1
55.05520	6.1
60.19241	1.0
65.03953	1.0
67.05502	5.5
69.03425	1.9
69.07073	29.5
69.55982	7.1
71.32047	1.0
73.13712	1.0
77.03928	1.6
78.55505	1.0
79.05501	17.6
81.03407	1.3
81.07066	9.6
83.04988	2.6
89.03916	15.3
91.05476	4.7
93.07044	4.4
95.04951	2.8
95.08597	4.1
97.05928	2.0
97.06541	35.9
98.84573	1.2
101.55652	0.9
103.05457	1.3
105.03378	2.2
105.07052	6.5
106.04169	1.1
107.04961	6.1
107.08588	4.1
109.06509	1.2
109.10173	2.1
112.67126	1.0
115.05506	2.2
117.03394	17.3
117.06984	1.1
119.08564	4.0
121.10117	1.6
123.08086	1.2
129.07028	2.9
131.08533	5.2
133.02899	5.7
133.03699	1.0
133.10132	1.7
134.03600	3.6
135.04425	20.2
135.08038	1.2
142.07745	2.0
143.08563	3.0
145.02843	18.1
145.10146	4.6
147.04326	1.5
147.08020	1.5
147.11597	1.8
155.08611	1.2
157.04089	1.0
157.06476	1.8
157.10152	7.0
159.04317	2.0
159.11688	4.0
161.02380	7.1
161.09673	1.1
162.03148	3.3
163.03912	99.5
167.08577	2.5
169.06540	1.6
169.10234	1.2
171.04413	1.9
171.11716	4.0
173.02397	7.0
173.13287	1.6
175.03938	2.0
179.03426	3.2
185.05991	2.4
185.09599	1.2
185.13226	2.1
187.03886	2.8
189.05434	1.2
191.03404	21.7
195.08055	3.3
197.05975	2.2
197.13297	1.4
199.07532	1.8
199.14864	4.8
204.04193	5.5
213.09135	2.8
213.16389	5.0
215.07065	9.7
215.14400	2.1
217.04970	100.0
230.05771	2.9
231.06575	1.6
241.08586	5.4
241.15829	6.6
242.34155	1.3
247.45755	1.1
259.09686	95.1
259.16962	15.3
259.20560	3.1
259.24255	1.2
260.10071	1.1
272.60776	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0967
Annotation	Luvangetin
Peak:m/z	Relative Intensity
53.03937	2.1
53.98731	0.7
55.01870	11.3
55.05516	4.8
67.05496	4.2
68.00455	0.8
69.03426	1.4
69.07069	23.6
69.95075	1.8
69.95467	2.0
77.03920	0.8
79.05492	12.4
81.07066	8.4
83.04985	1.0
85.06527	0.9
88.64349	0.9
89.03909	8.2
91.05470	4.6
93.07038	1.7
95.04972	3.3
95.08600	3.0
97.06535	31.7
97.07164	1.6
97.94762	0.8
103.05477	1.2
105.03378	1.9
105.07014	3.5
107.04968	6.4
107.08611	3.1
109.10149	1.5
111.20924	0.7
113.62856	0.9
114.54874	0.7
115.05441	2.2
115.81864	1.0
117.02617	1.4
117.03371	12.6
117.04154	1.2
117.07034	1.1
119.08565	3.0
121.10159	1.2
123.04440	0.9
123.11725	1.0
128.06160	1.0
129.07002	2.2
131.04935	1.0
131.08569	1.7
133.02841	4.3
133.10143	1.9
134.03619	3.7
135.04417	17.2
135.08043	0.9
135.11633	1.3
142.07823	1.5
143.04927	1.2
143.08551	3.4
145.02841	14.0
145.06558	1.2
145.10110	1.8
147.07948	1.0
147.11667	2.0
151.03929	2.2
152.06264	1.4
155.08565	1.1
156.05777	1.0
157.06476	1.5
157.10124	3.1
159.04460	1.9
159.08002	1.2
159.11714	1.4
161.02383	5.3
163.03906	76.8
167.08575	2.1
169.06554	1.3
171.04425	3.3
171.11676	2.1
173.02316	5.9
173.13258	1.4
179.03348	2.2
184.05231	1.5
185.05980	2.5
185.13216	1.4
187.03860	2.1
191.03397	23.3
195.08055	4.0
197.05968	1.3
197.13287	1.3
199.03911	1.5
199.07533	1.3
199.11188	1.1
199.14835	2.2
203.17967	1.3
204.04138	4.9
212.04808	1.0
213.05331	1.0
213.09068	2.6
213.16302	1.9
215.07025	6.7
215.14323	1.1
217.04962	100.0
218.05444	1.2
230.05737	3.5
231.06572	2.2
241.08655	5.8
241.15851	3.0
259.09671	93.3
259.16962	9.2
259.20407	1.9
259.24295	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	259.0749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.7
55.01857	0.5
55.05495	1.2
55.93510	1.0
56.05023	1.4
56.96308	0.6
56.96571	8.1
57.03431	1.1
57.58262	0.6
60.05651	0.8
61.02925	0.8
67.04234	2.3
67.05503	0.9
69.03438	2.6
69.74709	1.3
69.75121	1.7
70.06594	4.8
70.98106	1.7
72.08162	3.4
72.36207	0.4
72.93771	0.8
73.02914	1.2
73.06544	2.0
74.00672	8.2
74.02459	1.1
74.06096	0.6
77.47680	0.6
81.03415	1.8
82.99886	0.5
84.04517	3.9
84.08154	4.5
85.02909	5.5
85.06547	1.5
85.08492	1.2
86.03233	0.6
86.06071	0.9
86.09713	0.7
91.05489	0.7
95.04945	0.8
97.02900	3.7
97.07667	2.6
98.06052	0.7
98.97588	7.4
99.04451	0.6
100.02207	97.0
100.03999	1.6
101.00901	3.7
101.02406	1.5
102.05567	0.7
103.00631	0.8
103.02457	0.7
109.02869	0.5
110.97574	2.2
111.04496	0.9
112.03975	1.0
112.07624	3.0
113.00888	1.1
114.05535	3.1
114.10294	0.6
115.02431	1.4
116.98616	4.2
118.03253	4.3
119.01926	8.2
120.01135	0.6
121.01688	1.3
121.02848	0.6
127.02397	0.7
127.03925	1.1
127.60480	0.5
128.07076	1.2
128.98615	3.0
129.10265	1.8
130.05016	1.1
130.08643	2.1
130.10629	1.8
131.00180	0.8
131.01944	1.5
131.12964	2.0
133.01636	0.9
133.03467	2.9
134.99756	1.0
135.04405	1.1
137.02998	1.6
137.05991	0.8
138.05519	0.7
139.03926	0.8
140.03462	0.6
140.39330	0.5
140.98596	1.9
143.00206	1.3
143.01942	1.3
145.01765	0.7
145.03485	1.7
145.04840	0.5
146.02715	100.0
146.99625	0.9
147.01538	0.6
147.03116	0.8
151.07574	1.6
154.08652	2.1
157.01654	0.8
157.03539	1.8
158.99634	4.7
159.03247	0.6
159.05089	0.9
161.01276	0.7
161.02985	2.7
163.03983	1.0
169.05313	0.9
171.01328	0.7
171.05072	1.5
173.02946	1.1
174.99179	1.2
175.00845	0.9
175.02892	1.1
175.04565	2.9
177.00723	3.8
177.04126	0.9
178.02164	2.6
180.02670	0.6
182.08128	1.5
185.03107	0.9
187.04578	1.9
188.04922	0.6
189.00807	1.0
189.02524	0.9
189.06053	0.9
191.04008	1.2
193.01840	0.8
194.04433	0.8
195.01498	0.6
195.04857	4.7
196.03154	0.6
196.05872	0.6
196.10867	3.3
199.02782	1.0
199.04517	1.7
200.09239	1.5
203.04076	1.1
206.01729	0.9
213.06976	22.6
215.10402	0.6
217.00226	2.5
217.02020	1.4
217.05536	1.2
218.05956	0.5
221.03053	1.8
223.02678	3.8
224.02756	7.1
231.06967	0.6
235.01198	3.3
235.04836	1.1
235.06821	0.7
235.97687	0.7
236.06824	1.1
237.02835	0.7
239.01994	0.6
239.04327	1.4
240.98285	0.7
241.05441	8.8
249.04437	0.6
253.98772	0.6
255.07350	1.9
256.15631	0.5
258.99841	0.9
259.07532	22.8
259.14081	10.0
259.16763	1.0
260.17197	0.5
273.08356	2.1
277.00909	1.2
277.03818	1.2
277.08002	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0426
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96040	1.6
55.93520	5.1
56.96555	4.5
57.07074	1.8
63.16314	1.7
67.05492	2.8
69.07059	2.7
69.39420	6.5
69.39844	7.8
69.98357	1.8
70.06582	3.0
72.93766	5.3
81.04493	2.0
83.04990	2.3
84.04489	3.3
91.05474	2.3
95.04997	3.1
97.02877	4.0
98.97584	3.5
114.09109	2.1
116.98598	2.6
118.05093	1.9
132.95833	2.1
138.05476	4.3
144.91515	2.2
149.31735	1.8
150.03125	1.9
167.08565	5.3
173.06039	3.7
185.06123	2.3
189.97133	2.6
195.08038	6.1
199.07637	2.0
213.09113	4.9
218.97557	2.2
231.06454	2.7
234.11444	1.8
235.97365	9.7
236.98630	2.0
241.05173	2.3
241.08595	4.2
241.15501	3.1
249.95699	2.5
252.97816	2.0
253.98247	7.5
257.08105	3.3
259.04248	100.0
259.07431	3.4
259.09821	7.4
259.16656	3.5
276.95538	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	258.1128
Annotation	Haplophytin A
Peak:m/z	Relative Intensity
67.05520	0.5
69.07072	1.0
69.37102	4.0
76.18460	0.5
79.05485	1.1
81.07056	1.1
91.05467	0.4
95.08636	0.7
97.06489	0.9
105.06985	0.7
119.08559	0.5
127.58359	0.5
130.06529	1.0
144.04433	0.7
144.08093	0.6
145.05219	0.6
154.06519	0.7
161.04736	0.9
163.03903	0.8
169.05315	0.6
169.08841	0.7
170.05963	0.8
170.09631	0.7
171.11688	0.7
172.03917	3.9
172.07541	0.7
173.04732	1.0
174.05554	1.2
175.06316	4.9
176.07088	0.7
182.05995	1.5
184.07481	0.7
186.05513	15.7
187.06201	0.6
188.03358	1.4
188.07086	4.6
189.04199	1.6
190.05048	1.6
197.04800	0.6
197.08324	3.1
198.09149	2.6
199.10023	0.7
199.14755	0.8
200.03421	3.9
200.07086	6.5
201.04201	0.9
201.07870	1.6
202.05045	1.5
202.08510	1.1
202.12358	1.4
203.05772	3.3
210.05476	1.7
212.07045	3.4
212.10741	1.6
214.05008	43.2
214.08522	1.9
215.05746	7.9
215.09357	3.1
216.06561	1.3
217.07156	0.6
224.07188	0.7
225.07843	4.9
226.08612	1.6
227.09511	2.4
228.06570	13.6
229.07344	10.0
230.08301	4.5
230.11769	22.0
234.99049	0.9
240.10292	3.4
242.08112	2.4
243.07086	1.1
243.08929	39.8
258.11276	100.0
259.11636	0.5
259.17020	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27023	1.6
56.05032	2.9
65.47823	2.0
71.48153	2.6
81.03418	4.0
85.02898	2.7
91.23809	1.8
101.00874	5.0
104.10722	2.6
114.05502	2.1
119.01910	3.3
121.02877	1.9
134.44376	1.6
149.02347	3.1
152.03432	2.5
155.06796	28.4
156.02684	2.2
171.06291	100.0
177.01894	13.3
194.04472	24.5
195.02837	5.3
205.01302	4.9
212.05284	1.8
222.03116	2.3
223.02394	32.2
235.06601	5.7
240.05046	38.1
258.07452	6.6
258.13153	53.6
259.04138	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	4.7
56.96542	1.8
56.96835	0.5
57.03426	1.2
57.42319	0.7
68.99786	0.7
69.03420	1.0
70.05264	2.0
70.99831	0.6
77.04548	0.5
81.03423	8.3
82.99826	0.7
84.04477	1.4
85.02905	3.6
86.09674	2.2
90.23274	0.6
98.20879	0.8
98.97596	3.6
101.00856	2.1
109.02903	1.2
110.02399	0.9
110.97585	0.6
113.00858	0.9
116.98621	1.4
119.01909	1.3
121.02851	4.0
122.02289	0.6
125.02345	0.6
125.55936	0.5
126.06657	0.6
128.00175	0.9
131.01868	0.5
133.03510	0.9
136.06198	1.0
145.03438	1.1
148.92685	0.5
149.02344	7.9
152.03448	4.7
155.99680	0.6
157.03453	0.8
167.03358	1.8
170.04573	1.1
171.06366	0.9
172.08185	0.7
175.00853	1.4
176.03412	2.0
177.01842	40.6
179.03435	4.4
189.02400	0.9
191.03885	0.6
194.04503	54.9
195.02916	10.8
195.04677	1.0
205.01331	13.2
212.05542	2.9
217.01950	1.2
222.03448	0.6
223.02388	85.1
224.02570	0.9
226.02101	0.6
235.06688	1.2
240.05043	100.0
241.03325	1.0
241.05498	1.2
258.06128	5.7
258.99838	0.9
259.04193	0.6
275.97681	0.7
276.07336	0.9
277.00705	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1902
Annotation	Montiporyne F
Peak:m/z	Relative Intensity
53.73616	1.4
55.05525	7.0
57.07067	3.6
59.96189	1.4
67.05508	16.4
68.05811	2.6
69.03424	1.7
69.07068	12.0
69.88351	7.0
71.04978	4.7
71.08625	2.1
72.08159	2.3
79.05494	9.2
81.07056	15.3
82.07368	2.5
83.08593	7.3
83.59233	1.6
85.06534	6.4
88.07626	1.4
91.05466	12.7
93.07039	13.0
95.04959	3.7
95.08607	21.1
96.08946	1.7
97.10176	2.5
98.21447	1.7
105.07036	20.4
107.08589	9.2
109.06520	5.7
109.10155	12.8
111.07996	1.7
115.05445	2.3
117.07005	4.9
119.08579	17.6
121.10150	37.4
123.08023	2.3
123.11694	4.0
128.06152	3.5
129.07010	6.6
131.08585	14.7
133.10141	13.6
135.08072	9.0
135.11668	3.9
137.09601	5.5
141.07001	3.5
142.07751	5.8
143.08594	15.8
144.09386	3.8
145.10132	27.3
147.08037	2.1
147.11713	4.0
149.09634	2.3
149.13306	2.7
151.11201	2.3
154.07794	2.2
155.08606	7.3
156.09355	4.5
157.10138	23.5
158.10907	4.8
159.08031	2.9
159.11684	26.2
161.09636	2.4
161.13271	3.5
163.11183	2.3
167.08586	2.2
168.09250	1.7
169.10107	11.5
170.10927	3.6
171.11696	14.6
172.12498	2.0
173.09607	4.7
173.13254	32.3
174.14073	3.3
175.11198	3.4
175.14789	3.7
177.12720	2.7
181.10204	2.0
182.10928	2.2
183.11705	13.6
184.12466	4.5
185.13248	3.8
187.11188	9.1
187.14841	3.8
195.11751	2.1
196.12552	1.8
197.13306	13.6
199.11215	2.1
199.14835	27.8
201.12816	9.3
209.13287	2.7
211.14771	3.7
213.16376	11.2
214.17096	2.8
215.14388	4.0
215.18005	9.9
215.90375	1.8
224.15579	2.0
225.07291	4.4
229.15755	2.2
239.17970	14.1
240.09738	2.3
257.07910	2.0
257.15472	7.6
257.19012	100.0
257.23090	3.8
257.26559	9.9
258.19598	1.8
258.27982	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.7
54.07773	1.0
55.01860	1.0
55.05508	5.6
57.07057	3.4
59.04981	1.1
65.03918	1.7
65.79965	1.1
67.05502	10.2
69.03413	1.7
69.07071	3.5
69.51392	5.4
69.51800	2.0
70.06583	2.4
71.04991	3.3
72.08150	2.8
79.05489	9.6
81.07059	7.8
83.08621	2.8
85.06528	2.6
88.07626	2.0
89.07944	1.1
90.09197	1.8
90.74736	1.0
91.05495	11.4
93.07043	15.9
95.04955	3.7
95.08608	9.8
97.06535	1.6
103.05476	2.3
105.07034	30.1
107.08598	14.9
109.06531	6.0
109.10173	8.6
111.08077	3.1
115.05460	1.8
117.06997	7.1
119.07809	2.0
119.08596	20.8
121.10149	100.0
122.10457	1.4
123.08068	3.6
123.11698	3.0
128.06200	4.3
129.07025	6.6
130.07762	3.0
131.08585	18.6
133.07608	2.7
133.10143	8.8
135.08061	16.2
135.11696	3.5
137.09552	5.4
141.06935	2.8
142.07779	3.0
143.08568	18.1
144.09366	1.5
145.10127	22.4
147.07947	1.5
147.11696	3.5
149.09657	5.6
151.11105	1.2
154.07722	2.3
155.08533	5.7
156.09352	3.4
157.10127	20.8
158.10852	1.9
159.08066	2.2
159.11670	13.1
161.09581	2.8
161.13307	2.0
163.11163	5.7
167.08516	1.8
168.09372	2.2
169.10136	11.4
171.11662	9.9
173.09615	2.6
173.13281	14.6
175.11212	2.7
175.14822	1.5
177.12718	2.3
178.16028	1.1
182.10880	2.0
183.11697	9.8
184.12494	3.3
185.13290	2.0
187.11182	3.9
187.14835	3.4
195.11813	1.8
197.13277	8.3
199.14830	35.4
199.16628	2.5
201.12743	7.4
211.14815	2.5
213.16461	9.0
214.17174	2.7
215.14371	2.9
215.17989	7.5
224.15408	1.4
239.17943	13.4
240.18346	1.2
257.19022	98.4
257.26648	14.3
257.30228	2.0
258.19196	2.1
258.27917	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	257.1901
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.03942	1.4
55.01846	1.0
55.05503	3.3
59.05011	1.0
59.60221	0.9
66.04066	1.0
67.05509	5.1
69.07070	6.0
70.14943	4.3
71.04983	4.7
71.61256	1.2
72.08128	1.8
79.05506	8.0
81.07063	5.8
83.04980	2.0
83.08619	2.6
85.06538	3.0
91.05472	8.9
93.07054	13.4
93.31045	0.9
95.04962	3.0
95.08614	10.4
95.94585	1.1
97.06522	2.1
103.05468	1.2
103.62263	1.0
105.07040	25.8
107.08598	14.4
109.06524	6.3
109.10151	10.4
111.08078	1.9
117.07018	4.6
119.06061	1.0
119.08581	21.4
121.10150	81.5
123.08070	4.2
123.11715	3.8
128.06200	2.6
129.06976	4.1
130.60487	1.0
131.08574	14.1
133.07591	1.4
133.10138	9.4
135.08052	14.3
135.11682	3.8
137.09627	4.2
141.06998	1.7
142.07832	5.6
143.08568	19.4
144.09331	1.4
145.10127	15.4
147.08086	1.2
147.11662	4.0
149.09604	4.3
151.11244	2.9
155.08522	5.6
156.09404	5.3
157.10121	24.9
158.10921	4.8
159.08067	1.7
159.11697	21.8
161.09692	1.1
161.13252	3.0
163.11205	4.8
168.09412	2.3
169.10149	11.3
170.10905	2.2
171.11674	12.6
172.08992	1.1
172.12677	1.4
173.09662	2.9
173.13269	25.4
174.13988	1.8
175.11183	2.7
175.14853	2.2
177.12762	1.2
182.10860	1.3
183.11708	12.8
184.12509	3.8
185.13286	3.4
187.11208	5.5
187.14815	4.1
189.12706	2.6
196.12466	1.8
197.13289	9.7
199.14827	38.9
201.12704	8.3
209.13249	1.4
210.13985	1.7
211.14836	2.0
213.16356	13.8
214.17126	5.1
215.14362	4.1
215.17921	7.6
224.15750	1.2
239.17941	13.8
257.19019	100.0
257.26691	4.1
258.19327	3.3
258.27957	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	256.9648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77335	0.5
54.98644	0.7
56.96305	0.9
56.96571	13.4
67.05485	0.5
69.03455	0.5
69.07115	0.5
70.98143	0.6
71.48278	0.9
71.95274	3.8
72.70618	0.6
73.02940	0.8
81.03391	0.9
82.99846	0.6
84.08156	1.1
84.96081	0.6
84.97729	0.6
85.02911	1.4
86.09712	3.4
87.10106	0.6
87.97919	0.5
93.03439	0.6
94.18404	0.5
97.02882	1.2
98.35883	0.6
98.97592	100.0
101.00890	5.4
103.00645	0.8
110.97562	1.2
113.00889	1.5
115.02448	1.3
116.98634	35.8
119.01927	6.4
121.01626	0.9
121.02886	1.1
121.53954	0.5
123.05602	0.5
128.98573	1.4
130.93309	1.4
131.01930	1.6
132.10246	0.6
134.99669	7.3
137.03017	0.9
140.51744	0.6
143.00140	0.6
143.01913	1.7
143.05641	0.8
145.03442	1.3
154.93268	1.0
155.01907	1.1
157.03577	1.1
158.99707	0.7
161.02980	2.0
171.80164	0.7
172.94356	5.7
173.02986	1.4
185.03070	1.0
185.06668	1.0
188.09540	0.6
189.00725	0.6
189.02327	0.6
190.95384	1.9
193.03427	0.6
194.04478	0.7
196.94463	0.6
197.03102	0.8
203.02150	0.8
203.03983	0.7
208.96605	0.7
211.04526	1.4
213.06168	0.8
214.95390	3.5
214.98564	0.7
215.04068	1.6
216.08824	0.6
219.01978	0.6
220.65393	0.5
221.03041	4.9
223.02440	1.7
223.22241	0.5
229.05650	1.2
232.96454	5.6
233.01482	2.0
234.01544	0.6
234.10196	1.3
237.88344	0.7
239.04021	1.2
240.05110	1.4
250.97519	1.7
251.02522	2.3
256.96454	11.1
257.02823	1.5
257.03748	0.8
257.05396	2.7
257.11383	1.0
274.97528	49.7
275.06216	1.1
275.11703	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.2319
Annotation	Actinopolysporin C
Peak:m/z	Relative Intensity
50.87147	4.1
55.01867	6.4
55.05517	70.7
57.03424	11.3
57.07081	77.0
57.21568	4.6
67.05503	39.3
69.06750	6.0
69.07078	100.0
70.61023	13.3
71.05000	6.4
71.08638	35.4
79.05475	28.0
81.06667	7.8
81.07066	78.6
83.04958	8.2
83.08624	82.8
85.06524	8.9
85.10167	23.1
91.05492	9.4
93.07043	41.5
95.08617	63.6
97.06517	25.2
97.10165	52.3
98.98465	71.4
107.08610	42.9
109.10168	28.3
111.08073	22.9
111.11710	13.6
113.53053	5.2
115.07516	6.6
121.10149	41.5
123.11702	22.1
125.09669	11.9
127.11169	7.6
135.11699	49.7
137.13243	10.1
139.11179	14.5
149.13248	34.8
153.12726	10.5
163.14830	17.4
167.14285	17.2
177.16391	6.9
193.55193	5.2
195.21045	5.6
209.11723	7.3
219.21141	44.5
237.22102	22.1
255.07527	5.3
255.17444	11.6
256.30127	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	256.9646
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69049	0.4
52.99688	0.4
56.96307	0.6
56.96568	9.5
69.85651	0.7
69.86058	1.6
71.03804	0.4
71.95256	3.9
81.64332	0.4
81.93959	0.5
90.01414	0.4
98.97584	100.0
101.00889	1.2
116.98624	30.3
119.01933	1.3
121.01648	0.6
130.93303	1.1
134.99667	6.7
136.93236	0.5
142.03511	0.7
172.94348	5.3
190.95450	2.3
214.95291	2.8
216.98865	0.6
223.00412	0.4
226.22127	0.5
230.98593	0.6
232.96452	4.2
238.95824	0.5
250.97606	1.8
251.49236	0.5
256.96393	13.6
257.63910	0.5
274.97516	46.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1957
Annotation	Yingzhaosu D
Peak:m/z	Relative Intensity
53.03919	3.4
55.01864	2.8
55.05515	13.9
55.13708	2.5
57.03424	2.8
57.07067	7.3
59.04987	5.7
61.02359	2.4
67.05525	11.2
69.03396	4.3
69.07069	18.1
71.05004	5.5
71.49059	3.3
79.05498	14.9
81.07063	16.3
83.04969	8.7
83.08604	9.9
85.06536	9.1
91.05479	14.4
93.07047	29.3
95.04958	8.0
95.08615	16.3
97.06517	8.9
98.98475	42.8
100.98914	3.0
105.07027	16.3
107.04987	4.9
107.08592	40.5
109.06497	9.1
109.10136	8.7
111.08050	9.0
117.07032	5.2
119.04991	3.6
119.08575	18.3
121.06509	9.4
121.10150	27.2
123.08089	5.7
123.11709	6.8
125.02388	2.2
125.05978	3.1
125.09622	8.8
128.06161	3.6
129.93779	2.5
131.04935	6.3
131.08554	5.2
133.10155	12.3
135.08034	5.9
135.11707	46.3
137.05971	6.0
137.09621	4.1
139.11179	4.6
143.08574	4.1
145.10133	8.0
147.04457	2.6
147.11685	7.8
149.09613	5.4
149.13257	8.4
150.10416	3.2
151.11208	6.6
152.06212	9.6
153.07021	5.1
153.12717	5.2
157.10129	3.8
159.11671	11.2
161.13268	11.2
163.11130	11.6
165.06993	7.5
165.12718	3.9
166.07768	11.0
167.08540	29.0
171.11649	5.0
173.13286	5.0
174.09088	8.2
175.14905	4.0
177.01865	4.2
177.06964	5.9
177.12788	7.8
177.16393	13.5
179.14322	7.9
181.06554	4.5
181.08656	2.7
181.12248	7.2
185.13258	3.5
191.17906	8.3
194.07289	3.7
195.08081	36.9
195.13745	2.4
197.05885	6.6
197.13232	4.4
199.14832	3.2
201.16353	8.8
205.01459	4.4
209.05885	3.0
210.05630	5.0
211.07671	2.7
212.08331	5.3
213.16405	3.7
219.13904	5.3
219.17453	54.1
220.52383	2.4
223.07539	17.3
223.09424	2.9
227.07137	4.0
227.10675	27.8
233.98552	2.4
237.14783	5.3
237.18507	100.0
240.07796	6.7
255.07445	15.5
255.10168	55.5
255.13011	4.1
255.13933	3.8
255.17354	5.4
255.21086	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	255.1956
Annotation	Isochenopotriol
Peak:m/z	Relative Intensity
50.15055	2.0
52.19995	1.8
53.03944	2.8
55.01859	2.6
55.05508	12.2
57.07066	6.7
58.16773	2.5
59.04978	3.7
62.06062	2.0
67.05497	8.2
69.03424	5.4
69.07077	18.2
69.40737	7.4
69.41170	7.6
71.04981	6.4
78.71997	2.2
79.05481	15.0
81.06094	2.1
81.07061	21.4
82.36790	1.9
83.04974	13.6
83.08602	8.3
83.54278	2.1
85.06532	9.1
91.05474	12.1
93.07040	27.7
95.04964	8.4
95.08619	14.7
97.06540	10.2
97.10130	2.9
98.98475	41.6
99.08102	3.8
103.05426	2.7
105.07042	15.5
107.04952	4.9
107.08592	30.8
107.09239	4.1
109.06494	6.0
109.10153	14.3
110.64544	2.2
111.04435	2.3
111.08057	9.7
115.05454	2.9
116.27586	2.1
117.07001	2.7
119.08586	17.7
119.46815	1.8
121.06503	5.3
121.10134	23.9
123.08070	6.0
123.11710	4.6
125.09649	9.6
126.10849	2.0
127.07552	2.5
131.04947	3.7
131.08578	6.2
133.10124	11.7
135.08124	4.6
135.11688	48.1
137.05959	4.3
137.09619	5.0
141.06978	2.3
143.08575	4.8
145.10141	8.5
147.11694	5.1
149.09613	2.7
149.13242	7.8
151.11148	5.0
152.06207	7.3
153.06943	2.8
153.12776	7.2
154.54442	2.1
157.10083	3.5
159.11690	13.5
161.13246	9.2
163.11160	11.1
165.07005	3.5
166.07735	3.5
167.08536	13.8
171.11685	2.4
173.13219	2.9
174.09048	6.3
175.14816	5.6
177.01781	2.9
177.06911	2.8
177.12791	7.5
177.16368	10.5
179.14317	7.5
181.06470	3.1
181.12245	8.7
191.17914	8.1
195.08076	20.9
197.06001	5.2
197.13179	3.2
199.04123	1.9
199.07471	2.7
199.14758	3.4
201.12738	3.3
201.16428	10.9
205.01309	3.0
209.09540	3.0
210.05551	2.5
219.13968	3.4
219.17448	51.4
223.07442	11.2
227.07121	3.6
227.10638	16.7
237.09108	2.6
237.11374	2.2
237.18495	100.0
240.07616	2.6
255.07570	15.7
255.10210	34.8
255.17357	5.8
255.21062	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	255.1955
Annotation	Isochenopotriol
Peak:m/z	Relative Intensity
52.56874	1.9
53.47608	2.0
55.01866	5.6
55.05500	10.7
57.03437	3.4
57.07064	6.3
59.04988	5.8
60.48262	1.9
65.03902	2.0
67.05493	10.7
69.03420	4.3
69.07071	14.1
70.21478	7.3
71.04975	6.5
71.08630	2.0
76.05549	2.3
79.05503	12.0
81.03419	2.4
81.07054	16.6
83.04967	9.5
83.08592	5.4
85.06543	9.6
91.05488	11.5
91.82050	2.3
93.07047	28.2
95.04951	3.9
95.08608	15.2
97.06532	12.0
98.98470	54.1
99.08057	2.4
100.98854	3.1
105.07056	14.0
107.04915	2.6
107.08595	23.7
109.06497	6.7
109.10143	9.2
111.04426	3.2
111.08060	8.2
116.55504	2.2
117.06977	3.5
119.08584	14.8
121.02881	3.5
121.06495	5.3
121.10156	21.2
123.08060	7.7
123.11723	5.9
125.09614	14.7
128.06259	3.4
131.04909	5.1
131.08562	4.5
133.10126	10.4
135.08038	6.6
135.10725	2.6
135.11700	42.5
137.09627	5.9
139.11156	3.2
143.08583	3.8
145.10071	9.7
147.07967	2.2
147.11626	5.7
149.02298	8.1
149.13193	6.0
151.11163	7.9
152.06189	5.5
153.07021	2.2
153.12737	5.5
159.11674	8.8
161.13232	12.1
163.11179	8.9
163.14854	2.5
165.06924	3.8
166.07771	3.2
167.08600	11.6
169.06557	2.6
169.10077	2.7
173.13272	4.0
175.14839	3.5
176.83711	2.1
176.98840	2.2
177.01825	3.2
177.12756	4.3
177.16386	9.4
179.14320	4.2
181.06454	2.4
181.12196	8.0
191.17877	6.2
193.04970	9.2
193.15877	3.6
194.07254	3.0
195.08032	16.7
197.05978	3.4
201.16341	10.6
205.01344	5.1
212.08331	4.5
213.16624	2.3
219.14030	2.7
219.17422	39.6
223.07608	9.7
223.09526	2.5
227.07014	3.6
227.10583	16.0
237.14891	3.9
237.18500	100.0
240.07681	5.5
255.07561	20.6
255.10201	29.6
255.13791	3.9
255.17451	5.8
255.21115	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	255.1591
Annotation	Aspergillide B
Peak:m/z	Relative Intensity
55.05505	7.4
67.05515	6.9
69.07060	6.2
71.33330	8.7
76.63411	4.1
77.61303	4.8
79.05483	9.9
81.07056	10.8
83.08620	6.2
86.54749	4.2
91.05504	11.8
93.07050	41.7
95.08601	9.5
98.98473	36.7
105.07016	15.9
107.08606	86.0
117.07072	5.5
119.08629	9.0
121.02881	7.1
121.10152	47.6
133.10150	9.8
135.08101	5.5
135.11708	15.3
147.11670	6.7
149.13258	100.0
157.10150	6.8
159.11720	25.9
173.13271	13.2
175.14868	10.3
177.02000	8.6
177.12816	14.9
191.14346	15.3
205.01361	12.7
219.13800	31.3
249.90504	4.0
255.07507	7.5
255.21175	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	255.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.2
55.01635	2.0
55.01873	25.4
55.05502	6.6
57.03438	28.6
57.07073	2.9
65.03921	2.5
67.05505	24.4
69.03426	3.2
69.07058	5.7
69.52655	9.3
69.53059	2.2
71.08633	1.5
77.03902	1.9
79.05494	59.2
81.03407	6.0
81.07059	12.1
83.01344	18.5
83.04979	5.6
83.08619	2.8
87.15548	1.3
91.05482	100.0
93.07045	43.1
95.04968	3.3
95.08595	4.3
97.06543	3.6
97.10189	1.5
98.21450	3.1
98.98470	34.9
105.07005	7.2
107.04939	7.7
107.07885	3.1
107.08591	51.1
109.06519	5.3
109.10149	2.6
111.04427	4.0
115.05463	11.7
117.07019	77.3
119.08578	7.6
121.06520	2.1
125.09617	4.3
131.08592	1.7
133.06511	1.9
135.08052	92.2
135.11685	5.8
136.78542	1.6
141.07007	1.7
143.08595	1.6
145.06505	2.0
149.05984	6.4
153.09100	7.5
163.07600	8.9
173.13274	1.5
181.08600	5.7
181.12109	1.6
191.10669	1.4
199.09656	3.1
199.14987	1.7
209.11743	3.8
211.14622	1.5
218.51651	1.4
228.56830	1.5
237.11234	1.9
239.78532	1.5
255.07971	6.9
255.12209	35.1
255.17583	4.1
255.21162	4.5
256.26337	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	255.063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.0
56.96559	1.4
57.03444	6.1
61.02934	0.8
63.82018	0.7
69.03432	3.7
69.84885	3.5
71.01357	1.2
73.02915	6.6
75.21214	0.7
78.03442	1.8
80.05009	3.0
85.02902	5.7
97.02895	4.8
98.97580	1.4
98.98476	1.4
99.04502	0.8
100.75669	0.7
101.00869	2.5
105.38906	0.8
106.02922	4.8
112.07619	1.1
113.00881	0.8
115.03941	1.8
119.01909	1.9
123.05559	100.0
127.03921	1.2
130.08652	1.2
131.01924	1.6
133.04955	1.9
134.98228	0.8
140.29295	0.7
143.01915	2.1
144.03477	0.9
145.03378	1.1
145.05028	0.9
147.01559	0.8
155.01927	2.7
161.02982	1.0
167.01912	1.3
169.03571	0.7
173.02971	1.6
174.04576	1.4
174.55257	0.9
182.52280	0.8
185.02937	2.7
186.04391	1.1
199.04625	0.7
203.04060	1.0
213.00104	0.7
215.04102	1.2
227.04062	1.1
245.05142	2.8
251.80389	0.8
255.06360	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	254.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77117	2.4
61.02927	6.7
71.01353	6.7
71.05779	6.2
75.04483	20.6
87.04448	4.7
98.98466	27.3
100.47808	2.4
103.03943	24.7
131.03424	6.5
159.02901	63.0
159.04129	4.3
183.54047	2.6
187.02448	3.4
188.92596	2.5
219.05016	100.0
254.10175	3.8
258.87155	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	255.0631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31055	3.4
57.03431	5.5
70.41772	12.8
73.02925	5.2
85.02876	3.6
98.98454	16.9
123.05563	100.0
126.74061	3.6
187.79668	4.0
218.95560	3.9
248.20465	3.8
255.06242	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	253.2163
Annotation	(E)-3,7-Dimethyl-2,6-octadienyl ester 4-methyl-pentanoic acid
Peak:m/z	Relative Intensity
54.43994	1.1
55.01859	1.6
55.05271	1.8
55.05517	21.3
57.02125	1.0
57.03436	3.3
57.07066	3.8
59.32637	1.0
63.62302	1.0
65.03934	1.2
67.05510	60.8
69.07075	27.3
69.31836	1.9
69.32258	8.0
71.05003	7.2
72.65964	1.0
74.15775	1.0
74.56749	0.9
79.05498	28.1
79.51173	0.9
81.07063	69.3
83.04996	1.5
83.08627	21.9
84.31927	1.1
85.06553	8.7
90.70861	1.0
91.05493	9.9
91.33702	1.2
93.06496	2.0
93.07054	31.1
95.04951	1.8
95.08616	70.0
97.06534	7.5
97.10172	9.0
98.20789	2.6
98.98476	100.0
99.08100	9.3
100.44947	1.0
105.07053	7.4
107.08607	17.1
109.10168	21.8
111.08085	6.8
111.11713	2.2
113.09669	2.8
116.99539	1.2
119.08578	4.4
121.10152	35.9
123.11725	8.6
125.09622	2.6
132.48885	1.0
133.10139	7.3
133.42310	1.2
135.11708	39.6
137.09663	1.2
137.13248	3.3
139.11194	2.7
147.11699	5.9
149.13251	5.4
153.12749	1.9
161.13286	3.7
165.12889	1.2
174.99266	1.6
175.14815	3.1
176.98914	1.1
189.16348	1.5
197.11725	1.3
217.19485	9.0
235.20647	12.1
253.21663	29.2
253.24121	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2163
Annotation	(E)-3,7-Dimethyl-2,6-octadienyl ester 4-methyl-pentanoic acid
Peak:m/z	Relative Intensity
53.03936	2.9
55.05516	17.3
57.03427	2.1
57.07062	3.4
64.10505	1.3
64.38499	1.1
65.03918	2.2
67.05509	95.0
69.07070	32.6
71.04991	6.8
79.05074	2.2
79.05502	31.1
79.05962	1.1
81.07063	86.9
83.04979	2.1
83.08625	23.2
85.06551	12.8
91.05498	9.5
93.07051	44.6
95.04970	1.4
95.08614	100.0
97.06535	8.2
97.10162	5.7
98.21529	3.8
98.98473	87.3
99.08115	11.1
105.07018	6.5
107.08598	20.7
109.10171	31.9
111.08061	3.8
113.09658	1.7
119.08582	3.8
121.10152	49.1
123.11710	8.4
125.09622	2.5
133.10168	6.2
135.11699	58.7
137.13277	2.8
139.11174	2.4
147.11710	3.7
149.13290	8.6
153.12767	1.3
161.13284	4.1
175.14890	3.8
217.16176	1.2
217.19482	8.2
235.20557	14.2
240.10962	1.3
241.72202	1.5
253.14261	2.6
253.21643	44.7
253.24139	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	253.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02400	0.8
53.03941	1.8
55.01874	5.6
55.05511	12.5
56.66483	0.6
57.03438	14.1
57.07068	0.9
57.65935	0.7
60.16986	0.6
61.01868	0.7
61.29855	0.6
65.03934	2.5
67.05504	35.7
69.03417	3.2
69.07079	5.3
71.04984	3.6
71.49389	1.2
72.04504	0.9
75.89970	0.7
79.05492	23.0
79.87550	0.7
80.12739	0.7
81.03413	14.9
81.07055	18.5
83.04981	19.9
83.08618	3.2
84.04501	3.0
85.06539	4.9
91.05482	100.0
93.07037	9.0
95.04990	7.0
95.08620	4.9
97.02893	5.6
97.06541	3.9
98.98468	78.7
99.04458	1.1
99.08102	0.9
100.11275	6.8
100.98881	1.6
102.21574	0.7
103.05464	1.1
105.07030	34.6
106.43365	0.8
107.04961	7.2
107.08616	5.8
109.02941	0.8
109.06496	3.6
109.10165	3.9
111.08076	2.0
113.06059	1.2
115.05475	1.2
116.99509	1.3
117.07024	9.0
119.08590	12.2
121.10146	3.3
123.04418	0.8
123.08049	1.3
123.11723	1.7
125.09626	1.4
128.06236	3.0
131.08560	4.8
133.06509	1.3
133.10132	38.6
135.08063	3.4
135.11717	1.8
137.09641	1.8
139.03909	1.4
143.08580	5.1
145.10124	1.4
147.08084	1.7
147.11703	1.6
149.09610	10.3
151.11195	5.9
152.45248	0.7
154.07860	0.8
154.12291	3.6
159.11703	1.3
161.09618	15.1
165.07019	2.4
171.14931	7.0
174.99222	1.6
175.11211	0.9
176.98969	1.0
179.08473	1.0
179.10689	6.7
181.06522	0.9
182.07346	1.7
183.10162	1.3
193.06528	1.1
193.12262	1.1
197.09840	1.2
197.11690	1.5
210.06766	2.7
211.14777	1.1
217.15849	1.1
221.05946	1.3
225.09129	2.0
235.13406	1.0
235.16789	1.6
236.13667	0.9
238.06213	1.4
253.08658	6.1
253.12109	2.5
253.14371	15.7
253.19362	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	253.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.4
55.05521	0.4
56.96560	0.9
57.03452	0.4
57.07072	0.8
57.93568	0.6
59.05002	1.9
67.05524	0.5
69.03436	0.5
69.07071	0.7
71.48276	0.4
77.01606	0.5
81.07050	1.0
87.04479	4.6
89.06042	8.2
91.05457	0.6
95.04900	0.3
95.08624	0.4
98.98475	100.0
100.98898	1.4
103.03951	10.5
103.07590	0.6
105.07012	0.4
110.06079	0.7
113.40963	0.3
116.99497	2.1
121.08640	2.6
123.04448	0.5
131.07057	2.5
133.08595	4.2
135.08035	0.3
135.98196	0.4
141.05466	0.6
145.02853	0.4
147.06609	0.5
153.99268	1.0
161.33868	0.3
174.99280	1.3
176.98987	1.6
177.05446	0.3
179.10677	0.4
188.92477	0.4
196.00401	0.3
197.11717	1.3
207.12332	1.3
209.98224	0.6
210.70085	0.3
223.96156	4.8
227.99220	0.5
235.02773	0.4
238.01712	0.4
238.98499	2.5
253.03777	1.9
253.08641	0.6
256.02631	0.4
271.01593	0.6
271.04965	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	253.0152
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.6
55.05513	0.7
56.96567	10.9
57.03443	0.6
57.07066	0.6
57.71016	0.4
57.99050	0.4
58.56746	0.6
69.03418	1.4
69.94426	0.9
69.94835	1.8
70.06609	3.4
70.98118	0.6
71.95273	0.9
72.93816	0.5
73.02924	0.6
77.00924	1.1
79.05505	1.2
81.03398	0.9
81.04541	1.3
81.07067	3.2
82.07412	0.6
83.04991	0.6
84.04512	0.8
84.30847	0.4
84.99683	1.4
85.02902	1.5
93.07005	0.6
95.04995	0.6
95.06094	5.4
96.06406	0.6
97.02897	1.4
98.97614	7.1
98.98473	83.9
100.98899	0.9
101.00878	2.6
102.92610	2.2
103.00700	3.4
107.04963	2.1
109.02897	0.7
110.07226	0.8
110.97584	0.7
112.07609	1.6
113.00876	0.6
113.53705	0.4
115.02423	0.7
116.98623	2.5
116.99451	0.9
118.92082	13.2
119.01934	6.6
120.08111	1.2
120.93670	6.1
121.01759	1.9
122.07096	0.7
123.04469	0.6
127.03960	0.6
128.98593	0.8
129.10365	0.5
134.94177	0.5
134.99612	0.8
136.06175	0.7
136.07558	0.5
136.93126	32.6
137.02979	1.6
137.05881	0.6
137.06651	0.6
138.94675	3.0
141.04047	0.5
141.05328	0.9
143.01892	0.6
145.03439	1.4
146.99611	0.6
148.96788	1.6
150.05559	1.3
152.98643	0.6
154.94177	35.8
155.01910	0.6
156.95721	0.8
157.03502	1.2
158.06671	0.6
158.99710	1.1
159.05028	1.0
161.01149	0.6
161.03047	0.7
162.05508	1.3
164.96283	2.1
165.04062	1.1
165.99498	0.7
166.97824	3.4
167.00240	0.6
167.05592	1.4
169.03470	1.3
170.03670	0.6
172.95245	27.6
173.02919	0.5
174.99168	1.1
176.98878	1.4
177.00533	0.6
177.99414	1.6
179.00171	1.2
182.97322	8.6
183.05005	1.5
184.04509	2.8
184.98886	7.6
185.04848	0.6
185.06555	2.3
186.06744	1.1
187.04485	0.8
187.97206	0.5
189.04192	0.5
190.96297	6.2
192.01100	0.8
192.99471	2.5
193.01797	0.6
193.13322	2.9
194.09311	1.1
194.13716	0.8
196.00403	1.4
197.01160	0.9
197.11746	0.8
198.00627	0.8
199.04552	0.8
200.98378	33.6
202.99960	2.6
203.07689	1.6
204.07916	1.0
205.79407	0.5
207.05101	0.5
207.08466	1.0
209.08383	1.1
210.02036	0.8
211.00444	7.5
211.02715	1.0
211.04507	4.4
212.04726	1.0
212.07745	2.0
216.98663	0.6
217.07045	0.6
218.99443	16.4
220.00371	0.5
223.96126	1.3
223.99974	0.6
225.02029	1.2
229.01508	100.0
229.05530	4.3
230.01747	1.2
230.05774	0.9
230.08853	1.1
235.02821	0.6
235.07961	1.5
238.01439	2.7
238.98387	0.6
247.02568	62.2
248.02724	0.6
248.06337	0.6
249.02943	0.7
252.03088	2.1
252.20708	3.2
253.00313	1.3
253.03619	10.7
253.08960	1.9
253.11389	0.7
253.12325	0.6
253.16574	1.4
253.20987	0.8
256.02548	1.5
257.01398	0.6
270.04160	1.4
271.02478	1.4
271.04837	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	253.0089
Annotation	2,2'-Dithiobis(pyridine N-oxide)
Peak:m/z	Relative Intensity
59.99363	2.0
69.40943	15.2
69.41348	5.2
98.21592	3.3
111.92189	1.9
120.96651	2.3
124.14703	2.1
124.34144	2.0
144.38913	2.0
154.10832	2.1
178.63078	2.0
253.00861	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2006
Annotation	roughanic acid
Peak:m/z	Relative Intensity
53.03945	1.0
54.14022	0.7
55.01881	1.5
55.05516	7.6
56.96564	2.7
57.03440	0.9
57.07072	2.6
65.03932	1.0
65.73806	0.7
67.05508	21.8
69.07072	6.8
71.05001	4.9
71.49316	1.3
73.02921	9.4
73.79913	0.8
79.05500	7.5
80.05911	0.7
81.07060	31.5
83.04970	0.8
83.08639	5.0
85.06536	1.9
91.05498	7.5
93.07045	16.8
95.04958	2.0
95.08614	29.8
97.06544	3.1
97.10164	1.5
98.06914	0.8
98.98473	100.0
105.07030	7.8
107.08607	22.5
109.06516	1.5
109.10156	14.0
111.08107	2.6
113.09647	1.6
115.27441	0.8
116.99530	1.0
117.07019	1.8
119.08588	6.7
121.06504	1.3
121.10152	13.3
123.08066	1.7
123.11701	4.5
125.09653	1.8
131.08562	3.8
133.10133	5.3
135.11702	6.4
137.05988	1.2
137.09656	1.9
137.13269	1.4
138.06310	0.9
139.03915	1.0
139.11197	2.6
145.10144	3.9
147.11702	4.6
149.09616	1.3
149.13318	3.1
151.11241	1.6
159.11681	5.4
161.13342	1.6
163.11195	2.1
163.14828	18.3
165.07033	0.9
167.10719	3.0
173.13219	3.7
174.99245	2.6
175.14864	0.9
177.12784	1.4
181.12215	1.5
187.14894	1.6
189.16389	4.6
190.07788	0.9
191.08656	0.8
191.10861	0.7
191.17834	1.2
195.07983	1.2
195.13780	1.2
201.30159	0.8
207.11972	0.9
215.17973	6.4
219.08057	1.3
221.05934	0.9
223.07448	2.2
233.18999	6.8
234.12119	1.7
236.08350	0.8
242.73558	0.7
251.06917	8.1
251.10663	4.6
251.12921	0.7
251.16374	1.2
251.20102	12.2
252.07895	0.9
252.15936	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.2
55.05513	6.2
56.47172	1.1
57.03429	1.2
57.07067	4.7
65.03962	1.0
67.05513	10.5
69.03434	1.0
69.07074	7.7
69.79271	5.0
71.04976	4.5
73.02922	15.6
74.08094	0.9
79.05488	7.5
81.06603	1.3
81.07057	22.5
83.08618	4.9
85.06540	2.2
91.05500	7.6
93.07043	19.6
95.04962	3.4
95.08614	24.8
97.06531	3.6
97.10192	2.0
98.98471	100.0
105.07028	10.5
105.55254	0.9
106.06551	1.2
107.08601	44.0
109.06516	1.0
109.10160	16.3
111.08086	2.5
113.09628	1.2
116.99465	1.2
117.07031	2.3
119.08586	8.6
119.65520	0.9
121.06546	1.2
121.10156	16.6
123.08050	1.5
123.11694	3.2
125.05987	1.0
125.09608	1.9
131.08560	5.5
131.62820	0.9
133.10150	7.4
135.11694	7.1
137.05981	1.7
137.09592	2.5
139.11201	2.0
145.10132	6.8
147.11690	6.3
149.09637	2.2
149.13274	2.6
151.11151	1.6
156.23991	0.9
159.11687	5.6
161.13200	1.6
163.14827	41.1
167.10651	3.8
169.12207	1.1
173.13287	4.7
174.99248	3.7
175.14853	1.3
175.96021	1.1
177.12781	1.8
187.14760	2.2
189.16418	6.7
215.17941	8.6
233.15448	1.7
233.19002	9.8
234.12068	1.0
251.16481	1.1
251.17514	1.2
251.20003	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25999	1.0
51.32763	0.9
53.03950	1.4
55.01877	2.1
55.05510	6.1
57.07067	3.6
67.05511	9.7
69.03443	1.5
69.07076	8.7
69.51800	1.8
69.52206	6.2
71.04986	3.9
73.02924	15.2
79.05501	7.4
81.07060	21.5
83.04992	1.1
83.08616	4.8
85.06545	2.1
89.06039	1.4
91.05480	8.0
93.07048	18.0
95.04984	2.3
95.08615	26.1
97.06522	2.8
97.10188	1.7
98.98473	100.0
99.08086	1.5
105.07039	11.9
106.06584	1.1
107.08598	41.4
109.06474	1.5
109.10174	13.1
111.08082	2.5
113.09666	1.9
116.99461	1.4
119.08583	7.0
121.10146	16.3
123.08098	2.4
123.11732	2.7
125.09666	2.3
131.08565	4.2
133.10150	7.7
135.11716	9.0
137.06084	1.2
137.09608	2.6
139.11166	4.2
145.10127	6.0
147.11659	6.0
149.09634	1.4
149.13332	2.2
159.11691	6.4
161.13303	1.8
163.14827	38.9
167.10690	4.3
169.12331	1.2
173.13252	4.5
174.99243	3.4
175.14777	2.0
177.12779	2.0
187.14871	1.1
189.16389	7.8
196.90215	1.1
205.15831	1.8
206.08206	1.6
209.13612	1.5
215.17989	7.6
223.25441	1.0
233.15491	1.1
233.18993	9.2
234.12038	1.7
236.46234	1.0
251.20129	11.7
257.68442	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2008
Annotation	roughanic acid
Peak:m/z	Relative Intensity
50.76912	0.8
53.03925	1.1
53.20572	1.0
55.01856	3.1
55.05508	11.2
57.03440	1.1
57.05471	1.0
57.07080	5.4
57.07304	0.9
57.82629	0.9
62.24138	0.9
67.05172	1.5
67.05501	15.5
69.03415	1.9
69.07072	12.7
69.87090	3.9
71.04987	7.5
73.02921	21.0
73.97205	0.9
75.04514	0.9
76.85809	0.9
77.03938	1.0
79.05494	12.1
80.97424	1.5
81.07056	34.8
82.03504	0.8
83.04977	1.5
83.08617	7.5
85.06527	4.2
89.06039	1.0
91.05486	13.0
93.07043	31.3
95.04945	1.9
95.08611	36.0
97.06561	4.4
97.10158	2.0
98.98469	100.0
99.08079	1.6
105.07031	14.5
107.04907	1.0
107.08597	71.3
109.06500	2.3
109.10159	18.4
111.08064	3.8
113.09645	4.3
116.99498	1.8
117.07034	2.5
119.08580	14.0
121.06489	2.7
121.10144	27.5
123.08049	3.3
123.11700	5.0
125.09647	5.5
126.58493	1.0
127.11177	1.0
129.09102	1.0
131.08606	5.8
133.10136	13.1
135.08047	1.2
135.11700	12.2
137.05975	2.2
137.09590	3.5
137.13261	1.3
138.06299	1.1
139.11212	5.1
144.09364	1.2
145.10129	6.9
147.11694	10.0
149.09615	2.9
149.13264	4.3
151.11182	3.1
155.10698	1.0
159.11694	10.5
161.13266	3.5
163.11205	2.8
163.14824	58.9
164.15170	1.1
167.10710	6.2
169.12184	1.2
173.13252	6.6
174.99217	2.8
175.14832	3.8
177.12703	2.0
177.16412	1.9
187.14777	3.6
189.16388	10.5
191.17944	2.0
203.17946	1.3
215.17938	13.2
233.15340	1.7
233.18990	17.5
234.12000	1.6
251.20091	19.7
255.91193	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2008
Annotation	roughanic acid
Peak:m/z	Relative Intensity
51.71651	0.9
53.03941	0.9
55.05520	7.1
57.07079	4.0
59.04987	1.4
67.05511	10.5
67.33951	0.7
68.87975	0.8
69.03399	1.1
69.07076	10.7
69.36359	6.6
71.08603	1.0
79.05505	5.2
81.06596	1.6
81.07061	23.8
83.08640	6.5
85.06533	2.2
85.10159	1.1
91.05465	3.4
93.07046	18.6
95.08613	46.6
97.06528	2.1
97.10192	5.2
98.24692	0.8
98.98473	53.4
99.08081	1.3
105.07014	4.4
107.08602	25.6
109.10165	33.0
109.64127	0.7
111.08088	2.3
111.11687	1.0
117.07031	1.1
119.08603	9.5
121.06501	0.9
121.10158	27.5
123.08113	1.1
123.11714	10.4
125.09652	0.9
127.07536	1.5
131.08588	1.8
133.10110	3.6
135.08038	1.7
135.11705	19.8
137.09644	1.5
137.13263	10.2
139.07579	3.9
141.09140	1.2
145.10133	2.3
147.11668	2.0
149.09566	1.4
149.13254	5.2
151.14832	0.8
153.09109	3.5
155.10645	2.0
159.11734	4.1
161.13255	1.4
163.11194	1.9
167.10684	3.4
169.12265	1.1
173.13229	3.8
175.14851	2.5
177.12749	3.1
181.12274	2.7
183.81334	0.8
189.16397	9.6
191.17964	100.0
192.18297	1.3
195.13892	3.7
205.98755	1.3
207.12164	1.3
215.17961	12.7
233.19025	26.4
251.04811	2.1
251.20085	36.8
274.91748	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2005
Annotation	roughanic acid
Peak:m/z	Relative Intensity
53.03921	4.4
53.82145	1.6
55.01853	2.6
55.05273	2.7
55.05511	30.0
56.45435	1.5
56.78334	1.6
57.03432	4.1
65.03949	1.5
66.93644	1.7
67.05505	100.0
69.07069	30.8
70.39246	5.2
71.04979	4.2
75.51625	1.6
77.03913	1.7
79.05494	69.5
81.07059	83.6
83.04967	5.2
83.08154	2.8
83.08620	41.1
85.06517	5.8
91.05477	34.9
93.07048	77.9
95.04977	3.7
95.08610	63.6
97.05933	2.3
97.06535	40.6
97.10158	7.3
98.98468	29.5
99.08074	5.7
105.04544	1.7
105.07035	19.6
107.08594	37.3
109.06517	3.6
109.10162	22.6
111.07380	2.8
111.08087	37.4
113.09628	1.9
117.07022	3.3
119.08582	19.2
121.10143	76.3
122.80347	1.7
123.08036	3.8
123.11694	6.2
125.09627	7.4
128.91019	1.6
131.08611	8.7
133.10132	40.6
135.11688	45.7
137.09550	4.0
137.13245	2.6
139.11182	5.6
145.10133	8.8
147.11687	9.1
149.13284	9.0
151.11191	6.2
159.11678	9.2
173.13231	7.3
187.14792	4.5
215.17947	30.2
233.19049	15.2
251.20070	59.2
262.90897	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2006
Annotation	roughanic acid
Peak:m/z	Relative Intensity
53.03939	7.2
53.86629	1.6
55.01869	3.4
55.05280	2.5
55.05516	34.1
57.03430	3.6
67.05509	100.0
69.06732	2.9
69.07072	33.5
71.04970	1.9
77.03970	1.9
79.05497	77.9
81.07061	78.5
83.04969	5.1
83.08621	51.6
85.02812	1.8
85.06544	4.4
85.13438	1.6
90.11523	1.7
91.05486	40.0
93.07050	78.4
93.07648	4.3
93.24656	1.7
93.29064	1.5
95.04971	4.3
95.08614	64.6
97.06535	41.8
97.10149	7.4
98.98465	19.4
99.08086	9.9
105.07046	21.3
107.08603	33.4
109.06525	3.3
109.10172	20.6
111.08087	36.0
114.49864	1.8
117.07043	3.6
119.08591	15.7
121.10148	80.7
123.08076	2.7
123.11720	10.4
125.09635	8.1
131.08563	7.4
133.10138	40.0
135.11700	43.2
137.09624	5.7
139.11189	6.7
145.10146	10.7
147.11684	10.8
149.13258	9.6
151.11174	7.2
153.12799	2.2
159.11710	7.6
173.13222	4.4
187.14835	4.0
215.17976	30.7
225.38947	1.9
228.88365	1.9
233.19023	14.3
251.20079	63.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2005
Annotation	roughanic acid
Peak:m/z	Relative Intensity
53.03939	3.7
55.01859	2.1
55.05510	30.6
57.03428	5.8
65.03912	2.5
65.29031	2.1
67.05507	100.0
69.07071	33.3
70.56728	3.7
70.57108	4.3
71.04989	2.9
74.95544	1.7
75.63054	2.1
77.68867	1.8
79.05492	65.5
79.44939	1.8
81.07055	86.6
81.07532	4.4
83.04974	5.1
83.08092	2.5
83.08614	45.6
85.06541	3.9
91.05484	38.3
93.07045	80.0
93.07639	4.0
95.04942	3.4
95.08607	68.4
97.06533	38.4
97.10153	5.7
98.98465	15.1
99.08078	6.3
105.07035	18.1
107.07886	2.7
107.08590	39.2
109.10161	24.6
111.08088	36.9
117.07006	2.9
119.08576	20.6
121.10146	80.1
123.08070	4.1
123.11700	7.8
125.09621	9.9
131.08571	8.8
133.10132	36.5
135.11693	50.9
137.09602	7.7
137.13188	3.7
139.11171	5.9
145.10133	12.3
147.11710	9.4
149.13234	7.4
151.11142	5.3
153.12804	2.7
159.11671	7.4
173.13254	4.9
187.14796	3.9
215.17952	30.4
229.72411	1.7
233.18977	17.7
245.11983	2.1
251.20082	57.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2006
Annotation	roughanic acid
Peak:m/z	Relative Intensity
53.03947	1.4
53.88435	0.5
55.01883	0.6
55.05512	7.9
57.03434	0.7
57.07082	2.2
65.03941	2.2
67.05508	75.8
69.07070	6.9
70.81133	1.0
71.04993	2.4
79.05495	14.5
81.03414	0.6
81.07059	70.2
82.07438	0.6
83.04984	1.8
83.08627	3.9
85.06560	1.9
89.78918	0.5
91.05483	5.9
93.07050	18.5
95.04999	1.3
95.08611	54.2
96.08923	0.7
97.06551	2.2
97.10191	1.9
98.98470	100.0
99.04478	0.8
105.07040	4.0
106.06548	0.7
107.08606	11.0
109.06554	1.5
109.10163	32.5
111.08095	0.8
116.99520	1.4
117.07009	2.7
119.08595	3.3
121.06583	0.9
121.10155	11.9
121.40975	0.6
123.08072	0.8
123.11706	16.5
127.07531	0.7
131.08580	3.9
133.10141	4.7
135.08067	1.6
135.11696	9.9
137.09605	1.6
137.13257	6.1
139.07567	0.8
139.11211	0.8
145.10150	4.0
147.11700	1.2
149.09644	3.3
149.13268	6.6
151.11192	1.3
153.09091	1.1
155.10669	0.6
159.11684	5.2
163.11166	3.2
167.10680	2.0
173.13277	2.1
174.99222	2.7
177.12752	2.1
181.12262	3.4
191.14336	0.8
191.17953	2.5
195.12018	1.0
195.13829	3.8
209.13431	0.7
209.15378	1.6
215.17917	6.0
225.15729	0.6
230.75612	0.7
233.19028	4.5
251.04655	0.8
251.16248	1.4
251.20087	33.5
263.13654	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1643
Annotation	Carabrol
Peak:m/z	Relative Intensity
53.03936	1.0
55.01867	1.6
55.05513	6.9
56.96546	1.3
57.03448	0.9
57.07085	4.2
57.07309	0.7
59.04992	1.7
65.03918	0.8
67.05505	18.0
67.81747	0.7
69.03432	3.9
69.07069	8.3
69.57175	4.5
71.04606	1.3
71.04992	18.1
71.08632	1.7
73.02919	5.9
77.52733	0.7
79.05487	7.6
81.03392	0.9
81.07061	24.5
83.04987	3.7
83.08623	4.9
84.70068	0.8
85.02888	1.1
85.06532	4.9
91.05492	8.4
93.07043	13.3
95.04946	6.6
95.08612	28.7
97.06526	7.0
97.10188	1.2
98.06828	1.0
98.97632	3.0
98.98470	100.0
99.08086	1.9
100.16373	0.8
105.07023	9.6
107.04926	0.9
107.08601	22.8
109.06507	3.5
109.10162	15.1
111.08111	3.7
113.06003	2.0
113.09631	2.1
116.99464	0.8
117.07024	2.4
119.08587	10.0
121.06479	3.3
121.10145	16.9
123.08073	5.7
123.11705	5.4
125.05997	7.7
125.09595	2.2
131.08589	4.4
133.10126	7.1
135.08018	2.3
135.11684	7.4
137.05960	1.0
137.09627	11.8
139.11206	4.1
145.10136	8.8
147.08064	11.4
147.11688	6.1
149.09616	3.3
149.13220	2.3
151.07504	2.8
151.11182	1.2
151.14853	0.9
157.10008	0.9
158.10886	0.9
158.99644	1.5
159.11700	6.0
161.13274	2.1
163.07617	1.2
163.11198	14.2
163.14819	16.1
165.09140	1.0
167.10670	2.6
173.01173	0.8
173.13258	3.9
174.99245	3.5
175.11185	2.4
175.14903	0.9
177.09088	0.9
179.14325	5.7
181.12259	5.5
187.14842	3.1
189.12775	1.3
189.16379	3.0
191.14224	3.0
191.17929	1.6
195.10130	1.8
195.13737	0.7
196.08624	1.7
205.15787	1.9
207.13843	2.1
208.08501	1.4
215.14333	2.1
215.17969	4.9
217.09026	1.5
230.08151	4.0
230.58157	1.5
233.15399	11.7
233.18990	5.8
234.12070	1.4
238.74725	0.8
239.08583	1.3
251.04659	0.9
251.07051	0.8
251.12579	1.8
251.13635	0.9
251.16425	17.2
251.20052	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	251.085
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01610	0.3
51.02390	0.3
53.03945	1.3
57.07079	0.3
63.67552	0.3
67.05502	0.4
68.15485	0.3
69.07082	0.7
70.32861	0.7
71.68690	0.4
77.03943	0.9
78.04688	0.4
79.05499	5.4
81.07069	0.8
93.07018	0.4
95.04990	1.2
95.08623	0.4
97.06559	0.5
98.98473	70.6
105.04516	0.9
105.07048	0.9
106.06561	100.0
107.06922	0.6
107.08597	0.6
109.06564	0.4
109.10158	0.5
116.99541	1.1
121.10162	0.5
131.90190	0.4
133.10168	0.4
134.05000	0.7
134.06029	14.9
134.55202	0.4
135.06323	0.3
135.08069	0.4
148.67372	0.3
149.07101	1.8
174.99200	2.3
191.11865	3.1
209.03770	3.3
222.08452	0.4
233.15491	0.6
240.03236	0.3
247.80956	0.3
251.04778	0.5
251.08575	0.6
251.14326	0.5
251.16351	0.6
251.20187	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1009
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.3
53.03941	0.6
59.99115	11.9
70.45013	0.5
73.67427	0.2
77.03955	0.3
79.05505	1.7
85.07671	2.0
86.06072	12.1
93.92761	0.2
95.04960	0.4
98.98470	0.9
102.03770	2.4
102.99678	1.3
106.06561	100.0
107.06891	0.6
134.06036	1.4
145.04315	10.6
155.96606	0.2
191.11852	0.5
208.05405	8.0
208.07387	0.4
225.77213	0.2
250.10126	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.2215
Annotation	Heptadecatrienal
Peak:m/z	Relative Intensity
50.37213	1.3
53.03944	3.4
55.01864	1.9
55.05513	15.4
56.96560	1.5
57.03441	2.4
57.07074	1.7
59.04985	2.3
62.38636	1.2
65.03921	1.7
67.05187	1.6
67.05512	21.2
69.03414	4.4
69.07072	25.5
70.80676	3.1
70.93990	1.3
70.94946	1.1
71.05001	9.5
79.05498	17.6
81.03408	2.7
81.06596	2.6
81.07060	46.1
83.04958	2.2
83.08614	10.0
85.02912	2.1
85.06547	100.0
91.05491	15.9
93.07045	58.7
93.07647	2.0
95.04951	5.2
95.08611	48.7
97.02913	2.5
97.06549	8.7
97.10156	3.0
99.08102	7.7
100.10597	1.3
105.07032	18.7
106.06535	4.3
107.04945	2.1
107.08595	53.8
107.09319	2.8
109.06538	2.0
109.10159	20.9
111.08075	4.1
113.09638	1.3
117.07006	1.8
119.06052	1.2
119.08584	19.4
121.06492	2.6
121.10155	40.7
123.04429	1.4
123.08072	2.6
123.11718	9.9
125.09653	9.6
127.03896	2.4
131.08585	3.8
133.06448	2.0
133.10127	14.1
135.08040	2.6
135.11705	21.1
137.05963	3.5
137.09621	1.8
139.11139	1.8
143.08565	3.0
145.10107	3.4
147.08089	2.2
147.11714	9.8
149.09659	2.0
149.13268	76.9
153.12755	2.6
156.06535	1.7
157.10126	4.0
159.11601	1.3
161.13289	6.5
163.14810	14.0
167.14323	2.3
171.11742	3.2
173.09663	1.7
173.13293	3.4
174.41646	1.4
175.11168	2.3
175.14815	6.9
177.16408	2.2
179.14450	1.9
189.09076	1.5
189.12762	2.3
189.16391	4.7
191.14301	1.6
193.08467	1.7
193.10252	1.4
193.12170	2.0
203.14287	2.1
203.17963	2.3
205.19572	1.3
207.13748	2.1
213.16432	2.4
221.13347	1.3
231.13815	2.0
231.17426	3.8
231.21080	8.3
233.11697	2.8
234.13959	1.6
249.11078	3.8
249.14680	8.2
249.18530	13.3
249.22122	44.4
249.46281	1.3
250.17732	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	249.185
Annotation	4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03954	1.8
55.01863	0.8
55.05511	10.2
57.07067	4.8
59.04986	1.2
67.05499	7.2
69.03415	2.1
69.07075	12.7
71.05003	4.2
79.05499	8.5
79.73286	0.9
81.07060	16.2
83.04991	1.2
83.08621	7.1
85.06527	3.2
91.05475	11.0
93.07044	20.0
95.04971	2.1
95.08609	16.7
97.06539	3.1
97.10160	3.7
99.04438	1.3
103.05494	1.1
105.07034	38.5
106.06551	1.6
107.08591	28.6
109.06509	3.7
109.10166	11.8
111.08067	1.6
111.11765	0.9
117.07030	1.6
119.06115	1.0
119.08584	46.7
121.06487	2.2
121.10149	14.3
123.08077	2.4
123.11715	7.5
127.07556	1.3
129.06990	2.7
131.08562	3.0
133.06541	1.2
133.10136	35.7
135.04475	1.0
135.08023	2.0
135.11693	28.6
137.05986	1.4
137.09619	1.3
139.07533	6.0
143.08574	1.7
145.10168	5.4
145.11137	0.9
147.08069	1.1
147.11690	32.7
149.13243	2.0
151.07590	1.3
153.09102	6.1
157.10133	2.0
159.11720	1.2
161.09628	2.5
161.13248	6.2
163.03886	2.5
165.09109	6.2
167.10695	2.6
171.11664	2.1
173.13283	1.2
175.11064	1.9
175.14853	1.3
178.07755	1.1
179.10646	3.7
187.14828	4.6
189.12753	2.6
189.16388	100.0
190.16725	1.5
193.12242	8.0
195.06807	0.8
203.17992	2.1
207.13860	4.4
213.16382	2.3
219.11667	0.9
231.17436	8.1
234.13835	0.9
249.12807	3.7
249.18510	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	249.1851
Annotation	4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03927	3.5
55.01855	1.7
55.05277	1.0
55.05514	14.5
57.07059	3.8
59.04982	1.9
65.03925	1.1
67.05184	1.4
67.05505	15.1
69.03408	1.6
69.06734	1.2
69.07072	16.9
71.04987	4.9
79.05495	32.0
81.03419	1.2
81.07058	23.9
83.04977	1.8
83.08623	6.4
85.06535	4.8
91.05484	21.7
93.07047	49.0
95.04955	4.1
95.08610	30.2
97.06528	3.8
97.10153	3.6
99.04490	1.6
105.04512	2.0
105.06330	1.5
105.07039	37.6
107.08597	42.4
109.06489	3.6
109.10170	13.6
111.08099	1.2
113.06038	1.4
117.06992	3.1
119.08587	56.4
121.06510	2.0
121.10147	31.2
123.08068	3.0
123.11739	5.9
125.09624	1.0
128.06221	2.0
129.06970	2.3
131.08575	5.5
133.06525	1.2
133.10138	42.3
135.08052	3.0
135.11696	38.7
137.05919	1.9
137.09615	1.6
139.07533	5.1
141.09103	1.2
143.08536	2.5
145.10126	6.2
147.08009	2.1
147.10509	2.0
147.11690	39.1
149.09647	2.7
149.13251	6.2
151.07506	2.9
151.11153	1.8
153.09166	4.7
156.45686	1.0
157.10123	2.9
159.11667	3.0
161.09604	3.5
161.13293	5.7
163.11154	2.0
165.09090	5.7
167.10725	2.2
171.11742	4.9
173.13287	1.7
175.11172	3.3
175.14807	1.8
179.10657	7.0
185.13213	1.7
187.14821	5.0
189.12903	5.2
189.16388	100.0
190.16740	1.6
193.12263	8.6
203.14346	2.0
203.17998	4.3
206.11630	1.2
207.13768	5.9
213.16341	3.8
224.08398	1.0
231.13858	2.1
231.17490	10.6
249.14743	3.6
249.18512	72.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0372
Annotation	Unknow
Peak:m/z	Relative Intensity
70.45567	11.7
70.45914	5.0
79.46339	4.4
94.69936	3.9
94.93017	100.0
104.10777	4.1
105.11093	4.3
113.38448	4.3
199.49489	4.8
206.88591	18.6
236.31119	4.5
248.89650	20.8
249.03764	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1486
Annotation	(+)-Terrecyclic acid A
Peak:m/z	Relative Intensity
53.03936	7.1
55.01881	23.9
55.05509	18.0
57.03426	3.3
57.07062	4.8
59.04987	3.1
65.03927	3.9
67.05508	28.0
69.03432	26.7
69.06786	1.9
69.07072	21.3
70.55537	4.5
71.04983	9.8
79.05504	21.9
81.03407	8.8
81.07069	30.2
83.04968	9.5
83.08627	11.9
84.61084	2.5
85.02907	17.7
85.06538	20.5
87.00817	5.7
91.05483	24.7
93.07048	31.7
95.04967	15.5
95.08612	31.3
95.81525	2.0
97.02905	10.9
97.06538	13.9
97.10165	5.3
99.04461	2.8
105.07041	45.7
107.04965	3.6
107.08611	35.0
109.02860	7.8
109.06503	9.1
109.10151	32.0
111.04423	9.5
111.08086	12.5
117.07009	6.6
119.08585	66.8
119.82588	2.0
120.57648	2.4
121.06500	9.8
121.10149	35.3
122.07287	7.4
123.04468	5.0
123.08069	10.4
123.11703	9.5
125.05965	8.0
125.09598	3.8
127.03919	10.9
128.06204	3.9
129.06973	7.3
130.07780	4.5
131.08531	12.9
133.06502	21.5
133.10149	55.1
135.08038	14.6
135.11691	24.0
137.05949	6.9
137.09633	46.9
138.35840	2.0
139.03886	5.4
141.07013	3.5
142.07773	5.6
143.08582	15.8
145.06517	2.6
145.10139	28.2
147.08063	14.0
147.11697	59.0
149.09633	6.1
149.13271	10.2
151.07533	2.7
155.08519	5.1
156.09322	5.9
157.10106	18.4
159.08031	5.8
159.11682	27.4
160.08766	2.2
160.12555	2.4
161.09663	27.4
161.13271	80.6
163.11206	4.7
163.14850	3.1
170.10910	21.0
170.73433	2.5
171.08017	3.5
171.11685	13.3
172.12450	3.5
173.09627	7.5
173.13214	2.9
175.07529	5.4
175.11194	15.6
175.14847	27.8
177.12692	3.0
179.14342	2.7
185.09683	2.2
185.13260	39.1
187.14871	5.4
188.11955	3.4
189.09152	3.9
189.12747	43.0
189.16354	10.9
195.11703	2.7
198.10394	4.1
203.10619	3.6
203.14317	96.4
207.13789	6.2
213.12743	23.5
219.10025	3.6
231.13824	45.0
231.17516	5.6
231.21126	2.9
233.11674	4.3
249.14865	100.0
249.18533	14.9
249.22159	12.2
265.37482	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	248.1283
Annotation	Securitinine
Peak:m/z	Relative Intensity
59.49758	0.4
65.22441	0.4
69.92603	0.4
70.15207	1.0
70.15601	1.0
73.06464	0.4
78.16167	0.4
78.24625	0.4
80.05031	2.3
94.06566	5.3
95.03743	0.5
95.07359	10.0
104.73937	0.5
106.06557	0.4
108.04496	1.9
122.06039	23.9
123.06821	20.2
150.05515	23.9
151.06296	100.0
152.06819	1.3
160.01193	0.4
220.13295	1.3
230.11705	0.5
248.12842	29.2
265.02887	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.2057
Annotation	(S)-Panaxjapyne A
Peak:m/z	Relative Intensity
53.03933	1.9
53.32310	0.8
55.01854	1.2
55.05272	1.3
55.05513	16.6
57.03428	2.4
57.07066	3.0
65.03940	1.2
65.58417	0.9
67.05507	19.0
69.03416	1.4
69.07071	26.3
69.39912	6.3
69.40249	1.4
71.04996	14.0
76.53043	0.8
79.05495	14.3
81.07059	40.5
83.04964	1.8
83.08616	7.7
83.94096	0.8
85.06544	35.6
86.04891	0.8
87.08112	1.1
91.05479	14.3
93.07046	29.3
95.04947	1.2
95.08612	43.0
97.06538	4.1
97.10154	4.0
99.08086	7.2
105.07037	48.2
107.08597	33.3
109.06534	0.8
109.10165	28.4
109.10939	1.4
109.74264	0.7
111.08087	5.8
113.09641	2.2
117.07030	6.6
119.08585	53.4
120.07816	0.8
121.06502	1.0
121.10147	26.0
123.08070	1.9
123.11706	10.5
125.09613	5.9
129.06970	2.1
130.07808	1.6
131.08568	19.6
133.09123	1.6
133.10132	32.2
135.08044	1.1
135.11693	16.0
137.09579	5.3
139.11157	2.2
143.08572	2.5
144.09337	2.7
145.08928	1.1
145.10123	31.6
147.11694	39.5
149.09587	1.8
149.13272	9.4
151.11171	2.8
153.12721	1.5
156.09377	1.0
157.10085	2.7
158.10910	2.4
159.11699	39.4
160.12560	3.8
161.13263	29.3
163.11198	2.3
163.14786	4.1
165.12738	2.6
171.11728	2.2
172.12430	1.0
173.13272	29.8
174.13957	1.1
175.14787	5.9
177.12737	3.8
177.16396	1.4
185.13220	1.3
186.14047	0.9
187.14822	15.9
188.15541	1.1
189.16382	13.7
191.14285	6.0
201.16377	12.9
203.17969	19.9
205.15872	2.2
205.19499	1.9
229.19510	31.7
247.20580	100.0
248.20915	1.7
261.53720	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.4
55.05512	19.2
57.03437	3.1
57.07063	2.4
63.86674	1.3
67.05510	18.6
69.03413	1.6
69.07068	28.3
70.07004	1.4
71.04988	15.5
73.22672	1.1
79.05493	15.2
81.06600	2.4
81.07060	41.3
83.04961	1.6
83.08622	9.4
85.06548	36.1
91.05482	16.0
93.06490	2.0
93.07048	33.1
95.04971	1.3
95.08609	48.4
96.02968	1.3
97.06530	4.4
97.10154	2.5
97.75426	1.3
99.08103	10.1
105.07034	53.1
107.08600	34.2
109.06530	1.8
109.10159	31.4
111.08085	4.0
112.08028	1.2
113.09593	1.8
114.93218	1.1
115.05449	2.1
117.07044	8.5
118.23875	1.3
119.08585	58.1
121.10145	23.0
121.88808	1.2
123.08103	2.0
123.11707	10.6
125.09595	5.4
129.07010	2.1
131.08572	21.0
133.10124	33.5
135.11702	19.2
137.09602	4.2
137.13275	2.0
139.11217	2.3
143.08568	3.8
144.09373	3.8
145.10133	36.3
147.11685	45.6
149.09631	1.9
149.13271	9.9
151.11165	4.6
157.10077	2.2
158.10901	2.7
159.11702	38.6
160.12454	3.9
161.13260	27.4
163.11137	1.8
163.14857	5.1
165.12755	2.5
171.11644	1.5
172.12405	1.3
173.13261	35.4
173.14722	2.5
174.14050	1.6
175.14862	5.8
177.12726	4.2
177.16307	1.4
185.13222	2.9
187.14816	17.8
189.16397	12.5
190.99910	1.2
191.14363	7.0
201.16426	14.5
203.17947	17.8
205.09558	1.2
205.19562	1.4
229.15950	2.0
229.19504	30.4
247.20584	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	247.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
55.01865	1.7
55.05276	1.2
55.05511	15.9
56.05024	2.8
57.03420	1.8
57.07059	2.4
65.03923	1.6
67.05505	21.2
69.03429	2.1
69.07072	29.6
70.37327	2.2
71.05002	13.7
79.05493	16.6
81.07059	40.9
81.07536	2.5
82.06544	1.0
83.04989	2.2
83.08615	9.1
84.08111	1.2
85.06546	36.1
91.05474	16.6
93.07047	33.1
95.04948	3.0
95.08610	46.4
97.06538	6.1
97.10159	2.2
99.08090	9.3
103.05477	2.1
105.07031	50.8
107.08603	35.3
109.06522	2.9
109.10165	28.1
111.08090	4.9
113.09637	2.0
114.69062	1.0
117.07014	8.5
119.08583	57.5
121.06512	2.6
121.09338	1.9
121.10152	26.8
123.08065	3.9
123.11723	10.8
125.09651	6.4
127.08646	5.0
128.09021	4.7
129.06975	4.4
130.07695	1.3
131.08569	22.6
133.06482	1.0
133.10141	33.6
135.08063	1.3
135.11688	15.1
137.09608	4.8
137.13281	2.0
139.11195	3.4
143.08556	4.6
144.09317	4.1
145.10129	38.5
147.08066	1.5
147.11694	43.1
149.09633	1.5
149.13322	7.0
151.11148	2.1
153.12849	1.3
157.10117	2.7
158.10873	2.4
159.11694	41.4
160.12473	3.0
161.13258	28.1
162.05560	1.5
163.11211	1.4
163.14813	4.9
165.12798	1.7
169.10094	2.7
171.11684	2.4
173.13268	30.9
175.14818	5.4
177.12761	3.0
185.13252	3.3
187.11157	1.5
187.14821	21.1
188.15529	1.2
189.16377	10.5
191.14314	4.7
201.16368	18.3
203.17938	19.2
205.15919	2.4
205.19572	1.5
219.17369	1.3
229.15921	4.9
229.19499	27.6
235.27682	1.2
247.13219	5.2
247.16936	15.4
247.20590	100.0
248.20816	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54796	1.4
52.89230	1.2
53.03947	2.2
55.01878	1.9
55.05513	19.1
57.03436	2.6
57.07072	4.2
65.03947	2.2
67.05508	26.8
67.09245	1.5
69.03419	3.0
69.07071	24.8
69.55870	9.9
71.04991	10.3
79.05501	16.8
81.03413	1.7
81.07056	47.7
83.04996	2.2
83.08627	10.0
85.06543	26.2
91.05483	20.7
93.07047	40.2
95.04983	4.0
95.07984	2.4
95.08611	56.3
97.06545	5.7
97.10155	3.9
99.08131	6.8
105.07033	56.8
107.04980	1.5
107.08597	40.2
109.06512	2.6
109.10158	28.6
109.10847	2.5
111.08102	4.4
111.11676	1.3
113.09633	2.1
117.07021	7.0
119.08582	59.0
121.06496	3.2
121.10149	30.0
123.08102	5.6
123.11700	13.2
125.09638	5.9
127.10289	1.2
128.06178	1.6
129.07031	3.6
130.07742	2.3
131.08557	20.5
133.06523	1.3
133.10129	34.0
135.08054	3.6
135.11687	16.8
137.09618	3.8
137.13300	2.9
139.11223	3.0
143.08591	4.7
144.09370	2.9
145.10121	41.7
147.08020	1.7
147.11688	40.1
149.09628	3.5
149.13271	11.2
151.11205	4.8
153.12756	1.9
157.10152	5.4
158.10954	2.0
159.08051	1.7
159.11700	43.1
160.12460	3.8
161.09587	2.2
161.13261	26.6
163.11162	2.3
163.14827	4.2
165.12807	2.6
171.11702	3.6
172.12379	2.5
173.09665	2.8
173.13260	32.2
175.14830	5.8
177.12772	4.5
177.16377	2.1
181.10176	2.2
185.13298	3.4
187.11224	2.9
187.14819	21.5
188.15462	1.4
189.16418	12.1
191.10628	2.0
191.14333	4.7
201.16376	19.8
203.17958	26.7
205.15828	3.2
211.14902	3.7
219.17372	1.9
229.16034	7.6
229.19513	31.8
247.09558	1.7
247.13242	2.3
247.16960	23.7
247.20610	100.0
248.20729	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1693
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
53.03945	1.7
55.01861	2.4
55.05518	7.7
56.51195	1.0
57.07066	3.4
63.39280	0.8
64.59618	0.9
65.03912	0.8
67.05511	12.0
69.07077	4.6
70.06590	1.2
70.17303	4.0
71.05008	5.4
71.06902	1.4
71.08619	2.6
79.05077	1.2
79.05494	15.8
81.07061	9.0
81.51472	0.8
83.04964	2.8
83.08590	1.1
85.02899	6.7
85.06539	2.4
88.07622	1.8
91.04911	1.8
91.05482	33.0
93.07051	15.1
94.09039	0.9
95.04967	2.6
95.08596	10.7
97.06541	1.4
99.08063	2.4
103.05462	2.0
105.07037	28.6
107.04985	1.1
107.08597	7.6
109.06421	1.1
109.10154	3.9
111.04433	1.8
115.05450	4.4
116.06236	2.1
117.07018	46.6
118.54413	1.0
119.08574	13.2
121.06477	4.1
121.10124	3.7
123.08073	1.0
128.06238	2.7
129.07013	12.1
130.07774	3.1
131.08569	67.8
133.06493	5.9
133.10143	9.8
135.08058	2.5
135.11729	4.8
141.07004	4.0
143.08557	6.9
144.09331	2.6
145.06477	2.1
145.10129	45.3
147.08044	2.0
147.11708	6.7
149.09619	3.1
151.07536	1.2
155.08556	5.3
157.10106	2.7
159.08076	5.4
159.11684	9.5
161.09630	1.6
161.13312	1.6
163.07545	4.8
169.10164	6.5
171.11635	1.1
173.09616	7.8
173.13255	4.1
177.09157	6.3
183.11617	2.4
185.13239	11.3
187.11267	5.7
187.14816	68.1
191.10637	8.0
201.12791	1.4
201.16354	8.1
203.14349	1.3
205.12186	3.9
211.14810	9.9
219.17531	3.0
229.15900	14.4
247.16942	100.0
247.24568	12.1
248.17336	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1694
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
53.03939	1.1
55.01866	2.2
55.05513	6.0
57.03422	1.3
57.07081	4.3
58.07401	0.7
62.76341	0.7
65.03940	0.9
67.05184	1.0
67.05508	12.6
69.03409	0.9
69.07070	5.0
69.94317	3.4
70.06579	2.3
71.04994	4.2
71.08622	2.8
79.05022	0.8
79.05494	16.6
81.06602	0.9
81.07056	8.9
83.04968	2.7
83.08619	2.2
85.02908	4.6
85.06523	1.8
88.07626	3.2
91.05484	28.8
93.06488	1.1
93.07041	15.0
95.04967	2.3
95.08609	11.5
97.06511	1.3
99.04416	0.9
99.08094	1.0
103.05466	1.3
105.07034	26.8
106.08651	1.2
106.61455	0.7
107.04954	1.2
107.08582	8.2
109.06523	2.0
109.10142	4.8
111.04438	3.0
115.05455	4.0
116.06232	2.4
117.07019	43.5
119.07816	1.1
119.08589	15.5
121.06499	3.2
121.10160	4.6
122.65368	0.7
123.08106	1.2
123.11680	0.9
124.97920	0.8
128.06128	1.3
129.07018	9.7
130.07837	3.9
131.08569	64.1
133.06503	5.3
133.10139	9.6
135.08047	2.2
135.11728	4.9
139.07556	1.2
141.07054	3.9
142.07668	1.1
143.08566	7.6
145.06479	2.4
145.10126	41.8
146.10713	0.8
147.08063	2.9
147.11714	7.2
153.09018	0.8
155.08540	6.3
157.10135	2.6
159.08055	5.5
159.11693	13.0
161.09637	1.6
161.13213	1.9
163.07542	3.9
163.11162	1.3
165.09122	1.4
169.10124	8.6
173.09613	6.8
173.13264	4.5
177.09132	5.9
183.11673	1.9
185.13251	12.6
187.07574	0.8
187.11292	6.0
187.14821	67.0
188.15140	1.0
191.10681	6.6
201.12762	1.5
201.16393	9.4
205.12270	3.2
205.15968	0.8
211.14795	8.1
219.17441	3.2
229.15892	14.6
229.19531	2.1
229.23502	1.3
247.16939	100.0
247.24599	23.7
248.17242	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1331
Annotation	[2R-(2alpha,4aalpha,8abeta)]-1,2,3,4,4a,7,8,8a-Octahydro-4a-methyl-alpha,8-bis(methylene)-7-oxo-2-naphthaleneacetic acid
Peak:m/z	Relative Intensity
52.26784	1.6
53.03933	4.9
55.01873	3.4
55.05516	11.7
57.03423	2.6
57.07069	3.4
65.03938	5.7
67.05496	13.1
69.03428	23.0
69.07072	12.0
69.95872	7.6
71.04983	2.9
73.76276	1.5
77.03925	1.8
79.05499	19.5
81.07065	27.7
83.04986	22.2
83.08611	5.0
85.02899	2.4
85.06554	10.4
91.05483	43.2
93.03426	3.2
93.06495	2.1
93.07052	34.4
95.04985	9.2
95.08614	21.5
97.02902	7.5
97.06519	4.4
97.10149	1.5
103.05459	2.6
105.07034	44.2
107.04924	3.0
107.08595	29.0
109.02881	13.9
109.06527	12.1
109.10160	13.5
111.04431	4.8
111.08087	3.0
115.05440	5.1
116.06232	3.1
117.07011	19.0
119.08591	39.8
121.02856	5.5
121.06525	18.8
121.10150	18.8
122.07242	2.2
123.04398	1.7
123.08074	7.1
123.11730	2.2
125.09602	2.7
128.06229	6.4
129.07033	9.8
130.07791	3.3
131.08580	39.5
132.05704	4.1
133.06445	2.2
133.10133	25.7
135.08063	31.6
135.11694	7.3
137.05986	4.9
137.09631	3.7
139.03874	1.8
141.06992	2.3
142.07779	4.1
143.08577	17.0
144.09363	10.6
145.06473	14.4
145.09064	2.4
145.10130	30.5
147.08078	8.1
147.11696	15.9
149.05974	3.7
149.09624	27.6
149.13239	2.4
150.10431	2.5
151.07515	1.7
151.11166	6.1
153.06937	2.0
153.09079	3.6
155.08540	8.4
156.09361	2.6
157.10147	9.0
158.07312	1.8
158.10910	10.9
159.08078	14.8
159.11716	40.4
160.08861	5.0
161.05998	2.0
161.09601	8.2
161.13277	10.0
163.03859	2.3
163.07550	25.3
163.11195	5.0
163.14734	1.5
165.09160	2.6
167.08527	1.6
168.09337	5.8
169.10133	5.6
170.10851	4.5
171.08058	8.5
171.11646	3.3
172.08842	16.2
173.05965	2.0
173.09639	32.4
173.13260	43.8
175.07520	2.4
175.11205	3.6
175.14824	1.6
177.12628	2.8
181.06485	2.4
183.08237	2.3
183.11671	10.1
185.09596	2.5
185.13286	6.6
186.10413	26.3
187.11195	100.0
187.14763	15.5
189.09171	2.9
189.12735	3.1
189.16393	3.4
191.07047	41.1
191.10721	3.1
193.10129	1.8
196.08809	5.2
199.07524	2.1
201.09117	5.1
201.10822	2.7
201.12744	57.9
201.16394	8.1
203.14346	2.4
205.12254	8.2
205.15874	1.7
211.11200	12.0
211.14766	4.6
214.09903	4.8
219.13809	5.7
229.12277	66.0
229.15759	11.1
229.19461	6.4
247.05943	2.3
247.13292	83.3
247.16933	43.6
247.20529	18.2
247.24164	3.0
248.17287	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0601
Annotation	hispidin
Peak:m/z	Relative Intensity
50.28799	0.7
53.03952	0.8
55.01871	1.4
55.05507	1.0
66.45084	0.6
67.05516	1.3
68.99794	38.5
69.03420	1.6
69.07073	1.2
69.19680	2.5
69.20104	4.2
70.47174	0.7
71.30156	0.6
79.05489	1.8
81.03415	2.8
81.07040	1.6
83.04974	0.7
84.30847	0.6
85.06557	2.1
87.00822	1.8
89.03905	3.1
91.05502	3.4
93.07018	2.2
95.04951	1.0
95.08610	2.1
97.02898	1.6
97.06541	0.7
98.20795	1.3
103.05461	3.0
105.07037	3.6
107.04923	2.0
107.08595	1.9
109.02888	5.3
109.10201	1.3
111.00788	5.3
111.04445	3.1
115.05455	7.5
117.03389	5.2
117.07018	4.5
119.04909	0.8
119.08609	2.7
121.06472	1.2
121.10179	1.5
123.04427	3.6
125.02375	1.0
126.56499	0.7
127.05437	3.1
127.08672	0.8
128.06290	1.3
128.09013	1.3
131.04947	5.6
131.08569	1.7
133.06503	1.3
133.10089	2.5
135.04422	12.8
135.08012	1.2
137.02336	1.4
137.05994	5.1
139.05400	1.8
143.04941	7.4
143.08566	1.0
144.09299	1.2
145.02853	7.6
145.06500	7.4
145.10118	2.6
147.04391	1.0
147.11707	1.0
149.05991	1.0
149.09692	1.2
151.07521	1.0
155.04922	26.4
155.06041	3.0
155.08488	0.7
156.27162	0.7
159.04402	4.4
159.11710	2.9
161.05960	7.2
161.13248	0.9
163.03911	89.0
167.04897	1.0
173.05989	17.0
173.09497	1.1
173.13277	1.3
175.14839	0.7
177.05467	3.1
178.72113	0.7
183.04442	15.3
186.10402	0.8
187.03841	9.6
187.11230	4.0
189.16373	1.1
191.07034	2.1
201.05482	28.1
201.12773	2.0
205.04924	2.4
211.03850	6.3
219.06517	16.0
228.68713	0.6
229.04926	11.2
229.10213	0.8
229.12115	3.3
229.15898	1.0
229.19478	1.1
247.06036	100.0
247.13281	2.6
247.16901	2.3
247.20580	2.7
248.06468	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0603
Annotation	hispidin
Peak:m/z	Relative Intensity
53.03954	0.6
53.39741	0.5
56.92027	0.5
58.29560	0.7
62.55343	0.6
68.99792	32.6
70.54312	1.3
70.54686	1.0
80.03267	0.5
81.03412	1.3
86.84328	0.6
88.77224	0.7
89.03914	1.6
91.05465	1.0
103.05460	2.5
105.07024	0.9
107.04955	1.2
109.02868	3.8
110.03667	0.7
111.00822	4.7
111.04463	3.5
115.05452	5.4
117.03378	4.7
117.07018	2.9
119.04900	1.0
123.04474	3.8
127.05411	3.7
129.07057	0.9
129.08057	0.6
131.04950	4.5
131.08572	0.7
133.06479	1.1
135.04411	9.0
137.02313	0.9
137.05966	4.0
139.05463	1.8
143.04947	6.4
144.05682	0.6
145.02840	7.6
145.06490	6.0
145.10063	0.6
147.04385	0.6
155.04918	21.5
155.06044	3.2
159.04399	4.0
159.08078	0.8
161.05983	6.4
163.03911	71.9
164.04274	0.6
173.05984	14.6
177.05455	2.4
177.09064	0.8
183.04414	15.7
187.03842	6.9
191.07130	0.7
201.05467	24.6
205.04951	1.6
206.75179	0.5
211.03883	6.8
219.06560	13.3
229.04938	9.5
232.38815	0.6
247.06026	100.0
248.06284	0.8
248.12796	1.3
248.16454	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0426
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41169	1.5
71.08841	3.5
72.08176	2.3
84.65585	1.4
104.10733	1.4
111.69379	1.5
229.03203	34.9
247.04277	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1901
Annotation	Falcarinol
Peak:m/z	Relative Intensity
55.01860	1.5
55.05503	3.0
57.07067	1.5
58.99574	1.7
67.05509	7.2
68.05038	1.8
69.03432	1.0
69.07079	4.7
70.83699	1.8
71.04978	3.3
79.05499	5.8
80.04573	1.5
80.05014	18.1
81.07061	20.8
83.04966	2.8
84.04523	1.1
85.02895	2.2
85.06529	3.1
86.00655	0.8
91.05479	10.3
93.07043	11.1
95.04946	1.4
95.08609	15.7
96.04490	1.6
97.06534	1.7
98.00620	0.8
98.97572	3.3
99.02657	1.0
105.06405	1.2
105.07036	15.7
107.04896	0.9
107.08582	11.5
108.04459	3.7
109.06493	2.1
109.10165	7.1
111.08031	2.1
114.03751	15.7
115.05426	1.0
117.07021	7.2
119.08587	11.8
121.06487	1.7
121.10145	7.7
123.08081	2.0
123.11691	1.2
128.06207	3.6
129.07014	10.2
130.07693	1.0
131.08556	11.8
133.06459	1.3
133.10132	7.9
135.08084	1.5
135.11687	2.2
137.09604	1.6
141.06970	2.8
142.03226	100.0
142.07733	5.4
143.03535	1.1
143.07503	1.5
143.08562	18.2
144.09361	1.6
145.10135	19.1
146.10802	1.0
147.08083	1.8
147.11676	4.9
149.09613	1.5
151.11183	1.0
154.06064	0.9
155.08507	1.8
156.09361	2.6
157.10135	20.4
158.10786	0.9
159.08043	1.1
159.10466	1.6
159.11697	20.3
161.05937	1.2
161.09615	2.7
161.13269	2.5
165.12764	1.2
167.08539	1.2
169.10100	1.0
170.02716	21.7
170.10907	3.9
171.08046	1.5
171.11691	13.1
173.13249	4.1
175.11169	1.3
175.14839	1.2
181.10097	1.1
183.11711	5.9
185.09656	2.3
185.13255	29.6
187.14845	5.1
189.09172	1.2
189.12747	1.5
189.16360	1.3
197.13220	1.0
199.05338	3.7
199.11345	1.1
199.14795	9.8
201.16368	9.3
203.10657	1.4
203.14333	3.4
203.18098	1.2
209.13239	2.5
212.15581	1.1
217.15874	5.7
227.04845	2.4
227.14407	5.3
227.17920	12.4
245.05908	3.4
245.08061	1.0
245.11671	1.6
245.15350	21.3
245.18997	72.9
246.19414	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1902
Annotation	Falcarinol
Peak:m/z	Relative Intensity
51.94841	1.2
53.03940	2.0
55.01865	1.7
55.05519	11.2
56.05035	2.3
56.96561	1.4
57.03442	1.9
57.07076	1.7
61.72560	1.1
63.42375	1.2
65.40111	1.0
67.05506	10.9
69.03421	1.3
69.07074	15.7
70.06577	2.5
71.05006	8.3
75.55965	1.2
76.45718	1.1
78.96448	1.1
79.05498	10.2
81.07062	15.0
83.04986	1.2
83.08611	4.0
84.08122	1.6
85.06547	17.6
86.09727	6.3
91.05487	12.6
93.07041	15.2
95.04939	1.8
95.08614	17.8
97.06535	3.3
97.10169	1.7
99.08112	5.7
105.07034	30.3
106.06551	1.3
107.08599	16.8
109.06503	1.8
109.10182	8.8
110.25274	1.2
111.08098	2.5
113.09647	1.3
115.05464	4.2
117.07021	7.8
119.08580	25.0
121.06462	1.3
121.10162	11.0
123.04451	1.7
123.08074	3.4
123.11717	4.1
124.01066	1.0
125.09652	1.9
125.28143	1.1
127.08710	5.9
128.06212	4.7
129.07005	8.9
130.06575	2.5
130.07797	3.2
131.08569	17.5
132.08128	12.2
132.10217	1.4
133.06497	1.2
133.10141	17.5
135.08157	2.9
135.11748	3.0
137.09558	2.6
137.93916	1.1
141.06953	2.4
142.03230	3.6
142.06699	2.2
142.07761	10.5
143.08571	21.6
144.09364	5.7
145.10135	50.1
147.08023	1.8
147.11688	13.2
149.09619	2.4
151.03960	1.2
151.11191	1.6
155.08571	2.7
156.08160	2.0
156.09361	6.7
157.07587	1.9
157.10139	30.6
158.08426	1.7
158.10905	2.8
159.08003	1.9
159.09204	21.7
159.11702	37.3
160.07626	1.6
161.05995	1.9
161.09596	2.7
161.13260	8.4
161.65407	1.1
169.10123	2.2
170.10905	4.8
171.11699	26.1
172.12424	2.1
173.13263	14.3
175.11200	4.6
175.14880	4.1
183.11739	4.2
184.07599	3.3
185.07193	8.7
185.13274	20.9
186.14052	1.9
187.14838	16.7
189.09236	1.4
189.11220	2.3
189.12764	5.7
189.16422	1.3
191.44742	1.2
197.13242	1.8
198.14061	2.4
199.07437	1.4
199.14818	11.7
201.10158	2.4
201.16397	20.6
203.07272	1.6
203.14378	3.7
203.18011	6.8
212.15645	2.3
217.15918	2.1
217.19464	1.5
226.59480	1.3
227.08307	7.8
227.14372	1.9
227.17950	27.6
227.20154	1.8
245.04417	2.6
245.09094	4.1
245.19029	100.0
246.12462	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1899
Annotation	Falcarinol
Peak:m/z	Relative Intensity
53.03939	1.6
55.01862	1.6
55.05507	6.7
57.03423	1.8
57.07076	2.7
61.55885	0.9
67.05251	0.9
67.05507	8.6
69.03405	1.9
69.07073	9.7
71.04984	6.9
71.49699	1.8
79.05491	6.8
81.03427	2.3
81.07062	18.4
83.04973	2.7
83.08602	4.7
85.06554	1.7
91.05469	9.0
93.07046	14.6
95.04973	17.4
95.08611	17.7
97.06499	1.6
97.10165	3.2
98.97570	2.7
99.04495	1.1
105.07032	23.3
106.11424	1.0
107.08607	13.7
109.06526	4.9
109.10155	9.8
111.08061	1.4
115.05469	1.4
116.98630	1.3
117.07023	8.2
119.08588	22.8
121.06502	6.0
121.10147	11.2
123.08051	4.6
123.11686	5.5
125.09680	2.5
128.06255	2.4
129.07033	6.8
131.08557	16.3
133.06430	1.4
133.10144	12.9
135.08073	5.1
135.11717	3.7
137.09637	3.3
137.13252	3.3
141.07004	1.7
142.03212	2.4
142.07784	3.8
143.08557	13.0
144.09338	5.6
145.10123	11.9
147.08075	3.7
147.11687	10.0
149.09607	2.5
149.13251	3.1
151.11154	1.7
153.08820	1.1
155.08545	1.6
156.09335	3.5
157.10133	18.2
158.13765	1.1
159.08084	1.2
159.11697	53.4
159.13043	2.6
161.09653	5.6
161.13251	7.9
163.11194	3.6
165.12798	1.1
170.10966	1.6
171.11688	13.9
173.09584	1.3
173.13260	10.0
175.11212	6.2
175.14761	5.7
177.12746	1.1
183.11720	2.5
185.13274	13.2
187.14835	5.7
189.09125	1.4
189.12788	6.9
189.16437	3.1
197.13261	1.6
199.14839	4.1
201.12814	1.2
201.16348	6.0
203.10732	1.6
203.14339	4.0
203.18013	1.6
217.15990	1.4
217.19524	4.1
227.14319	2.4
227.17984	22.0
245.04437	1.6
245.15576	7.5
245.19028	100.0
246.19424	1.9
246.24338	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1538
Annotation	Methyl 3,4-dihydro-5-methyl-8-isopropyl-2-naphthalenecarboxylate
Peak:m/z	Relative Intensity
50.54941	0.7
52.99754	0.7
53.03946	0.9
53.73130	0.7
55.01863	2.7
55.05509	6.0
56.05045	3.8
56.96552	0.7
57.01929	0.6
57.03418	1.0
57.07073	0.7
65.03951	0.8
67.05505	8.3
69.03394	0.8
69.07072	4.7
70.18383	3.0
71.04999	5.4
73.61792	0.6
77.03888	1.0
79.05492	10.6
80.05016	1.0
81.07059	13.0
82.31968	0.7
83.04991	3.3
83.08619	1.9
84.08112	2.0
85.02888	3.5
85.06532	2.8
91.05482	19.3
93.07046	12.7
95.04980	1.8
95.08612	8.1
97.06512	2.0
97.10204	0.8
98.97550	1.6
99.04479	1.2
103.05471	1.2
105.07036	21.8
107.04941	1.5
107.08604	7.6
109.06499	1.1
109.10146	2.5
111.04434	2.0
111.08054	1.2
112.86665	0.7
115.05452	2.5
116.06254	1.0
117.06245	1.0
117.07026	14.5
119.08591	13.1
121.06522	4.5
121.10155	2.2
123.08066	1.7
127.08679	10.7
128.06239	7.0
129.07014	20.0
130.07784	1.6
131.08568	26.0
133.06509	6.7
133.10130	7.4
135.08038	2.7
135.11673	1.1
137.09656	0.9
141.06981	5.2
142.03236	6.5
142.07797	6.2
143.08565	32.0
144.08063	2.3
144.09244	1.6
145.06461	2.4
145.10126	22.6
147.08067	10.0
147.11696	3.4
149.06023	1.3
149.09634	1.0
151.07567	1.5
153.06964	1.2
153.09135	0.7
154.07770	1.0
155.08540	4.3
156.09326	3.0
157.06540	1.0
157.10132	25.9
159.08054	2.7
159.11685	6.7
161.05959	1.0
161.09593	2.9
161.13286	1.9
163.07501	2.3
165.07085	0.9
165.09097	1.6
166.07809	0.8
167.08591	3.4
168.09346	2.3
169.10092	4.1
170.02666	0.9
170.10936	2.5
171.08051	2.8
171.11710	8.6
172.12337	0.9
173.09686	1.8
173.13284	2.3
175.11133	1.6
175.14917	1.1
180.09354	0.9
181.10127	5.5
183.11708	17.7
185.09741	5.6
185.13261	62.3
186.13705	0.9
187.11188	5.7
187.14857	2.1
189.09071	1.8
189.11209	0.9
189.12781	1.5
189.16389	1.2
199.11188	3.0
199.14815	13.5
201.12756	2.3
201.16409	1.4
203.10703	2.2
203.14342	5.0
209.13263	12.1
217.12370	1.4
217.15881	11.3
227.14311	17.5
227.17894	1.9
245.15379	100.0
245.18948	8.1
246.12404	2.3
246.15683	1.5
261.80121	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	8.1
55.05513	77.1
55.05763	2.7
57.03439	28.1
57.13339	1.6
59.04986	2.0
67.05505	30.3
69.03439	8.5
69.07062	13.0
79.05493	25.4
81.06676	1.6
81.07059	19.7
83.04948	5.6
83.08615	45.5
89.25353	1.7
91.05460	6.9
91.99064	1.7
93.07030	13.4
95.08566	5.1
96.00871	1.4
97.10168	100.0
98.21525	5.2
99.60339	1.6
101.09638	2.6
105.07000	7.6
107.08595	28.9
109.10114	7.6
110.01126	1.5
111.08026	4.5
117.06973	4.6
119.08559	4.8
121.10072	5.5
125.09629	84.7
133.10086	5.2
135.08069	9.7
135.11678	2.8
143.10654	3.8
145.10066	4.2
147.11690	3.4
149.13232	2.0
153.09047	7.1
157.09889	2.0
159.11649	2.3
161.13228	3.0
163.14737	1.7
171.10187	8.5
175.14748	2.0
175.45807	2.1
189.11214	89.1
199.14668	2.4
221.92438	1.7
227.12677	2.9
227.17877	2.7
229.19328	1.6
245.09854	3.1
245.13759	62.9
245.18968	11.3
245.22711	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	245.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56662	1.4
53.03937	1.7
55.01879	8.8
55.05516	83.5
57.03442	28.1
59.04983	2.9
62.77900	1.2
64.45892	1.3
67.05199	1.7
67.05512	22.1
69.03432	11.5
69.07073	13.3
71.49393	1.8
79.05086	1.5
79.05498	21.6
81.07060	22.2
83.04998	6.4
83.08627	46.7
85.06528	2.0
87.04462	1.8
91.05502	7.7
93.07046	10.1
95.04957	3.1
95.08583	5.4
97.10179	99.3
101.09621	2.0
105.06998	3.5
107.07909	1.7
107.08598	29.4
107.61567	1.5
109.06522	2.2
109.10113	5.1
111.08030	3.0
117.06969	4.8
119.08557	3.4
121.06480	2.0
121.10120	4.4
125.09639	100.0
133.10115	3.7
135.08080	10.1
135.11682	3.9
143.08517	3.8
143.10622	5.1
145.10072	1.7
147.11650	3.1
149.13171	2.4
153.09068	9.5
157.10069	2.8
161.13158	2.1
168.84158	1.2
169.77728	1.4
171.10117	10.4
171.11552	3.1
175.14789	1.4
175.42711	1.3
185.13155	3.1
189.11234	77.1
199.14786	2.1
221.06999	1.5
227.12677	3.1
227.17708	2.1
245.13774	64.2
245.18985	9.4
245.22168	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	245.0593
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65390	0.3
55.01856	0.4
55.05502	0.8
58.99336	0.3
58.99590	1.8
63.63024	0.3
67.05515	1.7
68.05028	1.9
69.07063	1.5
69.84275	0.2
70.71230	0.8
79.05492	1.5
80.05021	21.1
81.07054	2.1
82.02936	0.5
83.04974	0.4
83.08649	0.3
84.04498	0.8
85.02909	0.5
85.06539	0.9
86.00642	0.8
86.99052	0.3
88.02247	0.5
91.05483	2.3
93.07056	2.9
95.08593	2.1
96.04489	1.3
97.01120	0.8
97.06534	1.1
98.00632	0.7
98.99032	0.4
99.02688	0.6
103.05506	0.3
105.07034	3.5
107.08609	2.4
108.04474	3.6
109.10141	1.1
111.08064	0.3
114.03756	16.3
115.05479	0.3
116.01705	1.5
117.07021	2.1
119.08595	2.4
121.10128	0.9
123.08054	0.5
124.02195	0.4
125.00591	0.5
128.06244	1.0
129.07028	2.9
131.08554	3.3
133.06508	0.9
133.10130	2.3
135.08025	0.5
135.11694	0.8
137.09537	0.4
141.06987	0.3
142.03226	100.0
142.07779	0.8
143.03510	0.6
143.08565	4.1
145.10127	4.4
147.08069	0.7
147.11708	1.3
149.09630	0.7
149.13242	0.3
151.11191	0.3
155.08569	0.5
156.09358	0.7
157.10138	4.0
159.11693	2.1
161.09615	0.4
161.13235	0.6
167.08546	0.3
169.10172	0.3
170.02722	23.5
170.10947	0.5
171.08109	0.3
171.11723	2.4
171.53398	0.3
173.09671	0.6
173.13316	0.7
183.11615	1.4
185.13261	6.5
187.14827	0.7
189.09134	0.3
189.12718	0.6
189.16428	0.3
199.05367	3.9
199.11121	0.4
199.14813	1.6
201.16493	1.4
203.14407	0.5
209.13272	0.5
213.92467	0.3
217.12218	0.4
217.15891	1.3
218.80966	0.3
224.74518	0.3
227.04912	2.2
227.14406	1.7
227.17934	2.4
245.05905	3.7
245.15401	8.4
245.19043	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0593
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68367	0.3
52.15131	0.3
53.03929	0.3
54.31726	0.3
55.01867	0.6
55.05513	0.6
57.03409	0.4
58.99586	1.6
61.76875	0.3
67.05505	1.3
68.05025	1.7
69.07074	1.4
69.22419	0.6
69.22825	1.7
71.04987	0.7
71.28600	0.3
79.05484	1.5
80.05020	21.1
81.06622	0.3
81.07052	2.4
82.02922	0.6
83.04961	0.3
83.08588	0.4
84.04524	1.2
85.06532	1.0
86.00649	0.6
91.05477	3.0
93.07040	2.3
95.08601	2.6
96.04496	1.8
97.01089	0.6
97.06533	1.0
98.00650	0.5
98.99021	0.4
99.02721	0.4
105.07034	4.0
107.08602	2.8
108.04485	3.5
109.06570	0.3
109.10152	1.1
114.03755	16.7
116.01655	1.3
117.07026	2.0
119.08591	3.6
121.06497	0.5
121.10143	1.3
123.08047	0.4
123.11671	0.4
125.00557	0.6
127.64266	0.3
128.06239	0.9
129.07013	2.7
130.07755	0.3
131.08580	3.3
133.06520	1.5
133.10153	1.7
135.08044	0.6
135.11678	0.6
137.09674	0.3
141.07005	0.7
142.03226	100.0
142.07767	0.8
143.03566	0.6
143.08560	4.5
145.06557	0.3
145.10123	3.7
147.08069	1.2
147.11674	1.2
149.09616	1.1
149.13231	0.4
155.08540	0.6
156.09325	0.5
157.10127	3.3
159.08107	0.3
159.11732	2.0
161.09657	0.5
161.13300	0.6
163.11226	0.3
167.08554	0.3
170.02719	23.0
170.10876	0.6
171.08054	0.3
171.11691	2.6
172.12430	0.3
173.09624	0.5
173.13280	0.8
175.07477	0.3
175.11189	0.4
181.10089	0.4
183.11707	1.4
185.09653	0.7
185.13261	7.4
187.14847	0.4
189.09195	0.3
189.12764	0.7
199.05370	3.9
199.14777	1.4
201.12715	0.5
201.16415	1.9
203.14374	0.8
209.13336	0.9
217.15919	1.5
222.39285	0.3
227.04829	2.0
227.14391	1.3
227.17908	2.3
245.05910	4.1
245.08208	0.3
245.15398	8.9
245.19037	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	245.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87640	1.1
56.96303	2.3
56.96569	38.1
67.05550	1.2
68.98283	4.6
69.03420	4.5
69.48602	7.3
70.06591	3.5
70.98138	7.5
70.99846	2.8
71.95274	7.4
72.28490	1.4
72.96053	3.6
74.02438	2.8
81.03414	5.0
82.06580	2.0
82.99832	10.3
84.04503	5.2
84.96037	3.3
85.01397	2.2
86.09695	2.7
86.99354	1.7
88.99160	1.4
89.00891	1.7
97.02885	6.0
98.20764	2.3
98.97597	41.4
100.00095	1.7
101.00887	81.3
103.00625	2.3
104.10747	4.8
105.00336	2.4
109.02907	1.6
110.97591	2.0
113.00901	12.5
113.03491	1.6
115.02431	5.0
116.07111	4.0
116.46260	1.2
116.98643	14.2
117.04027	1.5
119.01926	82.6
119.52411	1.4
120.02020	1.7
124.95483	9.6
127.02410	9.0
129.04021	1.8
130.04984	4.4
131.00185	1.9
131.01918	18.2
133.03474	4.9
134.99680	5.0
137.00848	1.7
137.02960	7.4
139.02405	7.5
141.03964	3.5
142.96542	5.0
143.00136	3.5
143.01909	59.3
145.03471	20.8
146.99628	1.9
147.01405	3.1
152.94914	3.1
155.01904	23.0
156.98207	2.0
157.03473	25.7
158.99754	2.6
159.01295	2.1
159.05006	3.3
160.97623	1.7
161.02966	100.0
162.03072	2.5
163.04520	3.2
167.01883	10.1
169.03493	5.5
170.96034	12.2
171.05063	3.8
173.02972	25.7
174.99176	4.4
175.04535	16.2
179.00555	1.8
179.01979	4.4
179.04132	2.8
181.01860	2.2
181.03473	3.8
182.08153	2.4
183.03238	2.9
184.04747	1.5
184.97612	3.3
185.01312	2.2
185.02966	40.5
187.04514	15.2
188.97089	22.2
189.06155	2.9
191.04045	2.9
193.00098	1.8
197.02983	18.2
199.02789	3.6
199.04556	10.2
201.04395	3.8
201.06161	1.6
202.98714	7.8
203.02287	2.9
203.04004	31.1
203.07030	1.8
206.98166	5.6
215.04027	10.5
217.05629	6.8
220.99693	3.4
221.01469	2.0
221.03268	2.6
221.04805	6.4
227.04076	5.6
230.98204	2.0
233.05125	3.0
245.05122	78.2
263.02982	10.8
263.06061	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	245.0061
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79640	5.5
70.06602	6.0
70.16862	27.5
70.17200	6.9
82.99855	9.7
89.29692	6.7
94.93025	9.1
101.00913	42.1
104.10753	100.0
108.81759	6.3
113.00939	9.2
119.01933	40.4
131.01883	8.6
143.01891	26.3
145.03433	14.2
154.89857	5.9
155.01929	14.1
157.03476	12.2
159.40358	6.6
161.02940	23.9
173.02902	7.6
175.04613	7.8
185.02937	43.9
190.24068	6.1
197.02954	19.1
203.03970	19.4
245.05067	25.4
245.39362	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	244.1334
Annotation	Oligophyline
Peak:m/z	Relative Intensity
55.01866	1.1
56.96562	1.5
59.04996	1.7
61.80901	0.9
67.06054	0.9
68.05026	3.9
70.02968	1.4
70.06583	3.2
70.50003	1.9
71.05002	0.9
72.04516	2.4
72.08154	1.6
79.05490	1.7
80.05047	1.1
83.04971	1.1
84.04508	1.4
84.08131	3.1
86.09721	1.9
91.05486	10.6
93.07053	1.0
95.04954	1.2
102.11774	1.1
103.05469	2.1
105.07039	4.5
105.67419	0.8
107.04949	1.8
108.04487	1.3
115.05458	4.6
116.06240	2.9
117.07035	4.9
119.04916	1.0
119.08583	2.6
121.06496	1.6
124.07610	3.2
128.06236	6.6
129.07024	10.0
129.19833	0.8
131.04967	1.5
131.08582	17.3
133.10176	1.2
135.08040	5.9
141.07001	3.7
142.07796	5.3
143.04929	2.3
143.07458	1.5
143.08566	5.7
144.05713	18.4
144.08105	2.7
144.09326	1.3
145.06500	6.1
145.10155	1.1
146.07220	1.2
146.95883	1.0
147.08063	4.6
149.09645	7.9
152.05182	1.0
153.06992	2.6
154.06583	1.8
154.07735	1.4
155.06142	1.0
155.07320	2.8
155.08577	12.7
156.08054	2.0
156.09331	1.2
157.06503	3.1
157.08952	1.3
157.10107	8.0
158.06081	1.2
158.07280	16.9
158.09645	9.3
159.08070	28.1
160.08824	1.6
161.09633	2.3
163.11208	13.9
167.08635	1.4
168.08118	2.6
169.06464	1.7
169.08908	3.4
170.09669	2.5
171.08055	2.2
172.07671	7.5
172.08830	7.3
172.11235	4.1
173.08372	1.4
173.09657	18.9
173.12006	2.7
174.06720	1.0
175.11220	6.8
177.09117	6.0
180.04823	1.9
182.06244	1.6
183.08078	2.3
184.07530	1.6
184.08936	2.2
184.11230	10.5
185.06000	1.4
185.09633	1.7
185.11998	1.8
186.09137	15.2
186.12822	1.1
187.07617	2.1
187.09932	4.5
187.11252	39.9
188.10686	3.6
189.09132	1.3
189.12775	2.3
197.08232	2.0
197.09796	1.7
198.09102	2.0
199.11174	3.3
200.06891	1.7
200.10762	3.9
201.09227	2.0
201.11517	7.8
202.12326	5.4
208.04303	6.2
211.10039	1.1
212.10686	11.1
214.08647	3.9
214.12305	2.0
215.10818	11.4
216.11679	1.5
216.13843	30.7
226.05368	4.7
226.12274	2.8
228.10222	1.3
229.10954	6.6
239.02290	1.2
244.06496	2.7
244.09538	2.6
244.13362	100.0
257.03265	1.4
262.14426	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	244.0969
Annotation	Isotaifine
Peak:m/z	Relative Intensity
53.03955	1.0
56.96566	0.6
59.21234	0.6
68.05045	0.5
77.03933	0.9
79.05499	33.4
84.04513	1.8
86.09711	1.2
87.10047	0.8
91.05489	0.8
93.07045	2.1
95.04986	1.1
96.04497	83.4
103.05473	98.9
104.05796	0.9
105.07060	2.8
107.04962	44.9
121.06518	1.6
131.04935	47.1
149.05980	7.4
188.77487	0.6
198.14995	1.1
216.06664	0.7
216.10474	0.6
223.16495	0.6
244.09711	100.0
245.10135	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0767
Annotation	Taraxacine B
Peak:m/z	Relative Intensity
55.05510	0.4
56.80305	0.3
57.07037	0.3
69.07043	0.4
70.06567	0.3
71.05952	0.4
71.06302	0.7
78.37099	0.3
79.05471	0.4
81.07078	1.6
83.04989	0.3
84.08138	0.4
98.09678	0.8
99.08085	0.7
103.05418	0.4
109.10985	0.3
111.04436	0.3
115.05465	1.4
116.10703	0.8
141.07027	0.4
142.06540	2.8
152.04991	0.6
154.06544	2.9
169.07658	1.8
170.06024	9.7
178.09402	0.3
179.05989	0.5
181.07631	8.1
182.06032	5.7
197.07123	68.4
198.05522	11.0
198.07758	2.0
198.14899	1.9
199.08717	3.7
200.07050	0.5
215.08174	1.1
225.06641	3.4
226.05025	7.4
226.14348	2.6
243.07690	100.0
244.07973	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0202
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96280	0.2
56.96564	0.7
63.08288	0.2
70.18784	0.6
82.48714	0.2
82.99849	1.5
98.71028	0.2
98.97588	4.5
100.97217	0.2
101.00890	8.4
102.01018	0.2
116.98636	1.8
119.01927	10.2
122.97804	0.3
134.99818	0.7
137.02953	1.0
138.96463	0.2
140.98831	2.6
157.01942	0.3
158.99907	5.8
159.01237	0.3
159.99937	0.2
165.99667	0.1
175.03058	0.4
177.00961	18.7
178.01051	0.5
182.99863	1.8
187.01913	0.2
193.04132	0.2
194.27936	0.1
195.02040	0.2
197.00540	0.2
197.02908	0.2
199.03009	0.5
201.00920	4.7
212.55121	0.1
213.02577	0.2
217.04103	3.6
219.02017	24.8
219.94547	0.7
220.02144	1.9
221.02156	0.2
221.52455	0.2
225.00835	2.5
225.02827	0.2
227.99722	0.2
234.00714	0.6
237.95302	0.2
237.98738	0.2
242.03627	0.2
242.96124	0.5
243.01996	13.4
244.02141	0.4
261.03070	100.0
262.03244	3.2
263.03418	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0729
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27135	1.4
54.55174	1.5
54.96952	1.4
55.93516	2.4
56.05030	1.4
56.40289	1.6
56.96339	1.9
56.96567	19.3
57.03424	2.6
57.07075	3.3
59.64743	1.9
61.02931	2.4
67.05495	5.1
68.05025	2.3
69.03418	6.4
70.06586	1.9
70.21783	3.3
70.22176	4.7
72.93776	4.1
73.02903	3.6
79.98243	1.6
80.04980	1.9
81.03407	2.3
83.06068	1.9
84.04512	2.7
84.08126	2.4
84.96020	3.0
85.02909	5.8
85.06527	5.3
94.85670	1.6
95.04942	1.7
97.02868	5.2
98.06060	13.3
98.97585	100.0
110.97579	11.2
112.07583	5.5
116.98624	23.0
119.01877	5.0
128.02312	3.2
128.98607	6.0
130.08621	4.7
134.99687	4.1
137.05988	4.2
138.05447	3.2
140.05588	1.6
141.02211	1.8
141.99481	2.8
143.00200	1.7
146.99661	2.1
152.04115	4.0
155.02754	2.4
155.99437	3.1
156.03310	6.2
157.01787	2.4
158.06619	5.0
158.99666	62.7
159.03284	2.7
161.02852	2.3
161.03352	2.3
161.04674	20.2
170.01036	4.0
170.05174	2.3
170.99615	11.8
171.98940	4.5
174.04399	4.5
177.00713	30.2
177.04210	2.0
178.01180	1.6
185.01337	1.8
186.04359	7.0
188.07727	4.4
189.00681	10.3
200.02100	10.4
200.04370	4.5
201.00699	4.4
204.05493	3.9
212.07709	6.5
213.00783	6.1
218.99918	2.1
219.01765	54.2
231.01746	4.4
237.00685	6.1
237.02774	5.5
242.03157	6.4
242.10176	4.0
242.15781	7.8
249.02812	4.5
261.02646	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1549
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
53.03951	0.2
55.05503	0.3
56.05034	0.4
56.96570	1.1
58.06603	18.7
69.03439	0.3
70.06590	2.4
70.64847	0.6
71.04996	0.2
72.08148	0.4
73.02905	0.3
81.03405	1.2
82.03732	0.3
83.04976	0.4
83.08630	0.3
83.70464	0.2
84.07642	0.5
84.08144	9.1
85.02898	0.5
97.02899	0.3
98.06032	0.4
98.09698	1.4
98.97014	0.3
98.97594	3.1
99.04500	0.3
100.11231	0.3
101.00876	0.9
102.95944	0.2
107.43330	0.2
113.00864	0.4
114.05531	0.3
115.02405	0.3
116.07109	0.4
116.98611	1.2
119.01916	1.4
123.48108	0.2
126.05524	0.3
127.03954	0.2
128.10722	3.2
131.01913	1.0
133.03444	0.4
138.96400	0.5
143.01880	0.8
144.10199	1.2
145.03421	0.3
150.02681	0.4
155.01958	0.4
156.97484	0.9
157.03505	0.5
160.06566	0.4
161.02924	0.4
168.10194	0.7
171.05034	0.3
173.02925	0.7
174.98634	0.3
177.01892	0.3
178.02141	1.2
180.97536	0.6
195.03111	0.3
195.04854	1.6
196.03163	0.4
196.09679	5.2
198.98524	1.9
199.00346	0.4
199.02689	0.3
199.04472	0.3
201.02478	0.6
205.01248	0.3
206.01730	0.4
207.39630	0.2
213.15988	0.6
215.03987	0.4
216.99832	0.6
219.01599	0.2
223.02415	0.6
224.02684	2.9
241.05531	0.8
241.15475	100.0
242.15829	1.3
258.99667	1.0
259.02264	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.0
55.05499	1.2
58.99300	1.7
58.99588	30.8
67.05495	1.3
67.72518	1.0
69.03441	1.2
69.27903	0.9
69.90858	3.6
74.00673	4.6
75.38728	0.9
76.02231	60.1
77.03915	0.9
81.03414	1.3
81.07031	1.6
86.99056	17.4
88.03985	2.8
91.05470	1.5
92.05008	25.6
93.07032	1.8
94.06570	31.3
94.27267	1.0
94.71510	0.9
95.04967	6.6
95.08603	1.1
98.20855	1.7
100.13937	0.9
102.00103	1.1
105.00092	30.9
105.04505	3.9
105.07030	1.2
117.06969	1.1
120.01170	11.9
120.04466	41.3
121.06503	1.3
122.02729	100.0
124.02158	1.6
131.08554	1.8
137.05957	1.6
148.00604	1.7
159.08046	1.9
163.07545	2.1
167.08521	1.8
185.05930	1.2
195.05893	11.9
195.07906	1.5
205.08632	2.3
213.09108	1.7
224.03766	5.6
226.06244	1.1
236.61246	1.0
241.06448	15.4
241.08643	7.9
253.39368	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.0867
Annotation	Phomonitroester
Peak:m/z	Relative Intensity
65.03933	1.3
67.05501	1.2
69.03432	20.8
71.48238	1.0
72.93787	1.7
80.05022	1.4
81.03443	1.6
81.07019	1.1
84.08118	1.5
86.09701	1.3
87.04473	44.2
91.05459	3.1
93.67561	1.0
102.45334	1.0
108.04494	5.5
109.02883	3.9
111.03172	3.3
119.04944	1.1
122.06017	1.4
124.05239	10.7
126.04604	1.4
126.05524	22.8
127.05084	1.0
127.77114	1.1
134.06038	5.0
135.06790	4.7
137.05995	6.2
138.05473	2.7
144.12477	1.2
147.04399	1.2
148.07542	3.3
150.09189	1.5
151.07547	2.4
152.03377	1.2
152.07079	6.9
154.05000	39.1
162.05502	4.2
166.08635	5.0
177.01802	2.0
179.07082	2.3
180.06567	1.2
180.10129	1.1
186.38060	1.2
190.05096	1.3
194.04399	1.3
194.08144	17.2
212.09186	3.6
222.07623	29.7
223.02417	1.9
234.92285	1.9
240.06808	5.4
240.08681	100.0
241.08643	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.0326
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.1
53.03954	10.1
55.01848	1.1
55.05486	1.3
56.96562	2.7
59.96714	3.3
65.03929	3.4
67.05507	1.9
69.03407	1.0
69.07046	1.1
71.47865	1.2
71.48302	1.3
72.08133	1.3
72.93784	1.6
74.99069	8.3
77.03524	0.9
77.03936	3.4
81.03411	2.4
81.07043	1.9
84.08132	0.9
89.03892	1.2
89.06027	1.2
91.05479	25.7
92.05008	60.8
93.00084	3.0
94.06561	1.1
95.04964	12.4
95.08608	1.3
98.97561	1.2
102.98518	8.1
104.05002	5.5
105.04536	5.7
106.06547	4.6
113.96423	1.4
116.04985	44.5
117.05787	9.0
118.06549	81.7
118.81748	1.1
120.04472	100.0
120.99568	11.5
122.06022	1.7
123.02716	1.7
124.02173	4.1
124.05231	4.7
124.55205	1.0
132.04422	5.1
132.08118	1.3
134.05981	3.1
135.04407	1.1
138.05482	1.9
144.04480	5.4
148.02164	23.0
149.02979	1.7
150.03737	6.3
150.05482	2.3
162.05498	14.8
166.03261	1.5
170.97478	1.1
174.90057	1.2
177.01857	2.5
178.03354	2.0
178.04912	2.2
192.91267	1.3
194.02734	43.0
194.04451	3.5
210.92328	1.5
222.02206	56.6
222.14856	2.7
223.02400	5.8
234.92149	2.8
240.03256	43.1
240.06645	2.3
240.08572	2.3
240.12488	1.2
240.16040	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	239.9955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03966	2.3
55.01863	3.5
55.93531	10.3
56.94066	1.4
56.94316	18.9
56.96556	4.0
70.95871	49.1
71.48536	2.9
71.92994	5.5
71.95267	1.7
72.05076	1.5
72.93793	70.9
73.94565	2.0
74.95351	1.7
81.03398	4.0
82.95852	15.7
85.02934	1.6
86.95344	4.5
88.96908	21.7
89.94024	3.8
90.94825	29.7
98.97586	17.0
100.96882	7.3
102.94812	3.3
104.96352	2.5
106.97939	3.0
108.95843	2.6
110.95314	2.8
111.98450	2.7
113.96403	15.9
114.94794	3.2
114.98411	2.4
116.96342	7.8
116.97141	2.3
116.98633	7.7
118.94312	4.9
124.96944	1.5
128.94994	1.7
128.95421	2.0
128.96362	21.7
130.97937	3.8
131.97452	6.1
132.95850	39.0
134.97368	4.0
136.95360	2.4
142.94240	2.1
142.95378	1.9
142.97910	28.9
144.95851	21.0
146.97400	7.6
148.97755	2.4
150.96890	16.4
154.97899	1.7
155.97443	3.9
156.89027	3.1
156.95798	4.8
158.97414	3.2
160.98938	10.4
162.96895	8.2
165.99486	2.1
168.95859	3.6
170.97404	70.8
172.95354	3.5
172.98959	2.8
173.98401	1.9
174.90070	7.9
174.96935	9.5
175.97049	2.1
175.98543	2.3
184.95343	22.8
186.96913	6.8
188.98460	38.9
189.76567	1.4
190.96388	1.8
191.00000	1.9
192.91133	6.3
192.97963	5.4
193.99026	2.1
198.96887	46.3
198.98737	3.8
202.96373	12.5
204.97940	4.1
207.96939	11.7
208.48878	1.7
209.98503	25.7
210.92268	2.4
212.00096	1.8
216.91121	3.4
216.97964	100.0
222.89876	4.4
225.98019	1.6
227.99649	3.4
234.52597	2.1
234.92285	11.4
234.99034	62.7
239.99556	77.6
240.09198	9.7
240.90945	4.3
240.99957	2.0
245.91460	2.0
252.93156	2.1
258.00638	10.5
263.92468	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	239.2369
Annotation	Bombykol
Peak:m/z	Relative Intensity
53.00312	0.5
53.03946	0.7
55.05513	22.8
56.69047	0.4
57.07077	100.0
65.03944	1.2
67.05507	49.1
69.07069	23.8
71.04993	1.5
71.08633	59.7
72.04520	0.6
79.05494	4.2
80.06252	0.5
81.03419	1.5
81.07056	50.4
83.08621	28.2
85.06538	3.3
85.10184	27.3
91.05460	0.9
93.07052	2.8
95.08608	71.3
96.08891	0.5
97.09550	0.8
97.10170	12.6
99.04448	0.5
99.08086	2.6
99.11745	1.1
107.08589	0.6
109.10159	26.2
110.10548	0.4
110.39617	0.4
111.11706	2.1
119.08587	0.5
123.11703	8.4
125.13183	0.4
137.13277	2.6
151.14902	0.5
162.70444	0.4
221.22627	0.5
239.12621	0.4
239.17935	1.1
239.23653	2.1
239.25900	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00311	0.5
53.03951	0.5
55.05513	23.9
57.03440	0.7
57.07078	100.0
57.20833	0.4
57.79424	0.4
60.98215	0.4
60.98526	0.4
64.17150	0.4
65.03960	1.3
67.05508	51.4
68.05830	0.4
69.07070	22.6
71.04175	0.4
71.05003	1.6
71.08634	58.8
72.08987	0.5
79.05499	5.1
79.14067	0.3
79.60477	0.3
81.03423	2.7
81.07060	53.7
83.05009	0.6
83.08623	28.2
85.06544	3.5
85.10187	29.4
89.06039	2.3
91.05492	1.7
93.07047	3.2
95.08611	74.2
97.10176	11.2
99.04461	3.2
99.08087	1.7
99.11737	1.0
105.07073	0.9
107.08579	1.1
109.10163	26.5
109.97639	0.4
111.11708	1.9
119.08583	1.1
121.10116	0.5
123.11713	8.6
137.09612	0.8
137.13266	2.4
147.08087	0.6
149.09550	0.4
151.14810	0.7
165.06984	0.5
169.10144	0.9
183.11694	0.7
195.11708	0.4
197.13268	0.9
209.13158	0.5
221.22476	0.4
239.08821	2.4
239.10902	0.6
239.14357	0.9
239.18002	1.8
239.23622	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2005
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
53.03944	4.0
55.05507	29.5
57.03428	3.8
57.07081	37.5
59.05003	17.1
67.05504	20.4
69.06789	3.6
69.07076	41.3
69.53109	9.2
69.53522	13.3
71.04996	17.6
79.05494	14.0
81.03418	6.0
81.07057	66.0
83.04907	3.6
83.08629	20.6
83.25987	3.6
85.06544	11.1
89.06048	4.8
91.05481	15.3
93.07040	38.2
95.08614	100.0
97.06512	9.8
97.10162	9.3
99.04440	8.5
99.08074	6.2
105.07074	18.8
107.04931	5.2
107.08600	63.2
109.06503	6.8
109.10159	42.9
111.08102	11.1
111.11681	8.9
117.92308	3.8
119.08578	25.5
120.49620	3.8
121.10162	26.5
123.08107	3.8
123.11731	35.9
125.09673	6.1
133.10155	26.9
135.11705	70.4
137.09633	9.2
137.13257	65.8
139.11186	12.4
143.10703	4.6
143.32674	3.3
147.11697	29.0
149.13254	18.6
151.11240	5.9
153.12752	13.6
155.08504	9.5
161.13266	13.1
162.49614	3.9
163.14825	21.9
165.12753	7.7
169.10153	13.0
175.14809	4.2
177.16464	6.2
183.11737	13.1
193.19431	5.8
195.11781	4.6
196.12453	4.2
197.09610	5.6
197.13377	7.3
203.17992	57.5
221.19017	68.3
239.08963	16.5
239.14407	20.2
239.17966	17.5
239.20113	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2005
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
53.03945	5.4
55.05512	36.3
57.03429	7.9
57.07077	37.1
57.73675	3.0
59.05008	27.4
62.41780	3.4
67.05507	22.7
69.07068	52.7
69.39661	2.9
69.52262	25.1
71.04980	13.1
71.08643	6.2
73.06546	4.7
79.05502	19.6
81.03423	5.4
81.06594	5.7
81.07056	86.8
83.04964	3.8
83.08624	30.0
85.06547	8.2
91.05481	12.9
93.07051	40.9
94.29502	3.2
95.08614	100.0
97.06572	17.0
97.10172	13.6
99.04427	5.5
99.08054	5.5
101.06011	4.2
105.07045	23.2
107.08598	60.0
109.06501	4.8
109.10155	44.3
111.08064	9.0
111.11720	8.3
113.05958	4.6
115.07531	4.3
119.08574	35.8
121.10129	29.7
123.08085	4.7
123.11700	34.6
125.09632	6.7
129.09120	3.6
133.10130	35.3
135.11694	91.9
137.09660	4.9
137.13255	62.1
139.11198	15.6
141.07045	3.6
147.11694	25.6
149.13217	18.9
151.11168	9.6
153.12733	20.1
154.48077	3.2
155.08640	8.0
155.10680	3.9
157.10139	4.8
161.13258	15.4
163.14816	24.3
169.10144	11.4
171.11713	4.0
172.86708	3.4
175.74242	4.1
177.16420	4.4
183.11688	11.3
193.19562	4.3
195.11646	6.6
196.57697	3.5
197.13229	11.9
203.17961	69.2
211.14803	3.7
221.19020	79.8
239.08908	9.9
239.14372	17.2
239.17949	21.5
239.20081	33.5
245.67854	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	239.2008
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
53.03951	2.5
53.14120	1.5
55.05515	10.6
55.36807	1.5
57.03429	2.9
57.07069	5.2
61.56296	1.5
62.08417	1.5
67.05511	14.6
69.07073	19.1
71.04996	5.1
71.08630	3.0
71.49105	2.0
72.64184	1.5
79.05482	7.0
81.03420	4.4
81.07065	31.3
83.04999	1.9
83.08614	6.4
85.06541	4.1
88.03034	1.7
89.06025	5.6
90.67345	1.6
91.05489	11.0
93.07045	15.7
95.04946	1.8
95.08614	33.8
97.06539	4.8
97.10181	3.9
99.04480	11.1
99.08064	2.8
105.07027	15.3
107.08611	14.0
109.06534	4.8
109.10166	34.8
111.08064	3.4
119.08584	20.5
121.10153	21.3
122.20160	1.6
123.04333	1.6
123.08058	3.2
123.11721	20.9
125.09641	2.0
127.40493	1.9
129.07047	1.9
131.14563	1.5
133.10126	12.9
135.11703	7.7
136.75696	1.6
137.05962	2.4
137.09636	7.1
137.13272	8.9
143.08542	2.5
147.08087	3.6
147.11720	14.4
149.13280	2.9
151.11224	6.0
155.08578	3.1
157.17061	2.2
161.09622	2.5
161.13234	9.1
163.14816	4.1
165.12813	6.0
167.08595	2.0
169.10130	5.9
175.14828	1.8
179.14355	3.1
179.17960	11.1
181.10205	2.2
182.10840	2.4
183.11694	7.1
195.11777	2.9
197.13303	7.1
203.14888	1.6
203.17978	27.9
211.07541	2.5
211.14899	2.4
221.15424	4.8
221.19025	100.0
239.06827	3.1
239.08859	26.8
239.10687	2.0
239.18166	12.1
239.24750	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2006
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
55.05503	8.5
57.07060	3.2
58.18867	1.5
58.50435	1.1
65.28064	1.4
65.45792	1.2
67.05511	7.2
69.07063	16.5
70.69438	2.6
70.69776	2.4
71.04975	2.5
71.08615	2.6
79.05474	4.0
81.03372	2.6
81.07055	24.8
83.04951	1.5
83.08623	4.6
85.06544	2.5
91.05486	4.7
93.07054	9.7
95.04969	1.8
95.08611	23.0
97.06538	1.6
97.10137	2.2
99.04464	1.8
105.07029	10.3
107.08605	8.8
109.06521	4.1
109.09471	2.4
109.10167	30.3
111.08112	2.6
113.52595	1.6
117.06924	1.4
119.08589	13.6
121.10146	23.0
123.08078	4.2
123.11692	16.4
125.09544	1.6
133.10149	8.2
135.11714	5.5
137.09639	2.3
137.13246	8.9
147.11690	12.4
151.11169	4.0
161.13272	5.0
163.14835	4.7
165.12721	6.1
169.10123	1.9
174.55573	1.2
177.16423	1.7
179.14293	1.7
179.17963	10.2
183.11720	2.0
197.13245	2.4
203.17963	26.0
221.19008	100.0
222.19380	1.3
239.08942	4.7
239.17924	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	239.2006
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
50.34002	1.5
55.05503	5.5
57.07059	2.0
59.05014	1.7
63.35271	1.6
67.05492	7.5
68.12367	1.6
69.07076	16.7
69.74928	1.5
69.84214	7.4
75.73946	1.4
77.42218	1.6
79.05509	3.1
81.07063	21.9
83.08612	4.1
85.06551	3.2
91.05492	3.0
93.07038	7.2
95.08613	20.2
97.10155	2.6
102.46410	1.6
105.07040	8.5
107.08592	6.6
109.06509	3.9
109.10161	28.1
111.08083	1.9
117.47031	1.5
119.08566	11.0
121.10155	19.1
123.08070	2.1
123.11702	18.2
133.10132	8.3
135.11720	3.8
137.09608	1.7
137.13254	7.0
139.11311	1.5
146.90410	1.5
147.11710	10.3
149.13290	4.3
151.11162	3.6
161.13210	4.4
163.14816	4.7
165.12773	6.0
179.17938	9.6
180.55923	1.8
203.17966	27.1
221.19022	100.0
222.19302	2.5
233.71794	1.7
239.08936	3.3
239.20142	2.4
240.78775	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1642
Annotation	Penihydrone
Peak:m/z	Relative Intensity
53.03944	1.0
53.56541	0.5
55.05519	3.6
57.07066	1.8
61.40694	0.5
61.64498	0.5
63.10947	0.4
67.05509	7.9
69.07078	4.9
69.94861	2.1
69.95223	0.9
71.04995	2.5
76.55898	0.5
77.63107	0.5
79.05158	0.5
79.05503	6.2
81.07059	40.7
83.08608	1.4
85.02872	0.6
85.06543	1.4
91.05479	3.6
93.07044	7.5
95.05006	0.6
95.08621	11.1
97.06523	1.4
97.10204	0.6
99.04409	0.8
99.08120	0.8
105.07035	26.1
107.04956	2.1
107.08595	7.8
109.06516	1.5
109.10153	3.8
111.04454	4.6
114.41381	0.5
117.06992	1.3
119.08588	31.4
121.06541	2.5
121.10123	7.0
123.08074	1.3
123.11711	33.9
124.12090	0.6
129.06972	0.8
131.08586	0.9
133.10132	8.2
135.08078	0.6
135.11707	3.1
137.09586	0.7
139.07559	2.7
143.08560	0.9
144.98607	0.5
145.10182	1.0
147.07973	0.6
147.11673	1.6
149.13235	1.2
151.07513	1.9
153.09093	0.7
153.12790	1.3
157.10109	1.6
159.11708	8.5
161.13261	100.0
162.13606	1.7
163.11195	0.5
165.09117	3.3
175.14876	5.3
177.12802	1.7
179.10699	0.5
179.14343	0.6
183.11717	0.7
185.13281	2.2
193.15903	0.7
197.13330	0.6
199.90190	0.4
203.14311	10.3
221.15372	36.4
239.08913	1.2
239.16299	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	239.1642
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
53.03943	3.1
55.05520	10.4
60.98798	1.6
67.05506	21.1
69.03432	2.2
69.07076	12.8
69.24615	15.3
71.04994	3.2
77.03916	1.5
79.05490	21.8
81.03395	1.7
81.07058	61.2
83.04965	3.3
83.08620	2.9
85.06548	3.3
87.04480	2.7
91.05480	25.3
93.07049	46.1
93.07637	2.4
95.04971	16.6
95.08607	43.5
97.05930	2.8
97.06537	46.1
97.10175	3.8
102.69845	1.6
103.05478	1.7
105.07037	100.0
107.08602	25.2
109.06524	4.4
109.10158	7.8
111.08075	5.9
113.12100	1.8
115.05453	2.1
117.07002	5.5
119.08587	67.4
121.06512	2.8
121.10193	10.2
123.08078	6.2
123.11702	1.7
125.09641	3.4
129.06975	3.0
131.08554	7.5
133.06432	2.5
133.10133	52.9
133.22229	1.7
135.11691	8.2
137.09622	5.0
141.06981	2.0
141.56114	1.6
142.07776	2.9
143.08591	4.6
144.09415	1.8
145.10107	7.3
147.07996	3.1
147.11691	9.5
149.09587	2.2
149.13268	16.9
151.11201	2.4
155.08537	5.9
155.10675	7.0
156.09273	2.1
157.10141	5.1
159.11667	17.8
161.09659	2.6
161.13269	61.4
165.07065	4.5
169.10158	6.4
171.11789	1.9
173.13257	3.6
175.11179	2.3
175.14839	9.3
177.12761	9.2
179.14320	4.1
182.10968	2.9
183.08171	2.1
183.11707	14.5
185.13290	6.3
191.14293	6.7
192.99721	1.7
193.15898	2.1
195.11673	2.6
197.13235	19.9
203.14374	13.5
209.13277	3.7
211.07591	4.2
211.14877	2.5
221.15367	35.1
222.18410	2.0
224.15564	5.8
238.17865	2.6
239.07011	5.2
239.09033	2.4
239.11000	2.3
239.16342	13.2
239.18376	24.5
240.19623	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	239.1643
Annotation	Penihydrone
Peak:m/z	Relative Intensity
51.90536	1.6
53.03948	3.9
53.26669	1.7
55.01859	3.6
55.05515	9.6
56.96573	2.3
57.03429	8.1
57.07068	3.0
58.06592	5.4
59.07377	2.0
60.08151	6.1
65.03942	2.7
67.05502	19.9
69.03420	2.9
69.07063	13.3
70.06592	2.6
71.04990	5.9
71.48273	2.3
72.08154	1.7
79.05500	17.4
81.03423	19.1
81.07056	28.4
83.04967	8.3
83.08618	4.5
85.02907	4.2
85.06546	3.9
85.18176	2.2
89.06040	20.9
91.05481	43.3
92.05777	2.0
93.07050	35.0
95.04978	12.9
95.08609	39.6
97.05924	3.9
97.06535	60.6
97.10136	2.5
99.04413	3.1
103.05460	2.0
105.07037	61.9
107.08598	26.2
109.06535	11.7
109.10178	14.3
111.04472	2.3
111.08089	4.9
117.07035	7.3
118.04877	2.7
119.04927	5.4
119.08584	100.0
121.06533	4.5
121.10142	13.7
123.04497	2.7
123.08075	19.3
123.11707	3.4
126.02456	5.1
127.03205	2.3
129.07040	3.4
129.89290	1.8
131.08575	8.1
133.08566	6.4
133.10123	28.2
135.08040	3.8
135.11688	10.8
136.07114	1.9
137.02347	2.3
137.05977	27.8
137.09589	16.5
137.13231	4.0
142.07799	3.0
143.08525	2.4
145.10114	3.9
147.08022	6.5
147.11705	3.4
148.07607	2.9
149.09622	2.0
151.07552	3.0
155.08492	2.5
155.10680	8.4
157.10130	2.9
159.11731	10.3
161.09589	3.9
161.13268	74.2
163.11192	2.2
165.07021	2.1
165.09134	7.4
168.02364	3.8
173.13202	5.1
177.11072	7.7
178.39546	2.0
179.14342	18.4
185.09793	2.9
185.13261	4.7
191.14143	2.0
194.02649	3.5
196.05197	2.4
203.14348	21.3
208.58517	2.0
211.07501	6.8
216.03235	2.0
221.00830	2.5
221.08142	2.9
221.13586	2.0
221.15407	20.7
222.04070	2.3
222.11856	3.2
229.08784	3.8
230.09515	2.8
230.59889	15.5
239.01932	2.9
239.06972	8.8
239.08975	18.2
239.12468	10.4
239.16354	10.8
240.03200	3.1
240.10156	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	239.1643
Annotation	Penihydrone
Peak:m/z	Relative Intensity
52.12639	0.9
55.05513	5.7
56.96545	0.9
57.03441	1.6
57.07072	1.5
60.54027	0.9
67.05512	10.6
69.07080	6.3
69.14912	7.5
69.15321	2.3
71.04998	2.9
77.03916	1.0
78.72358	0.8
79.05507	5.9
81.03410	2.8
81.07059	46.6
83.02154	1.0
83.08618	1.5
85.02886	1.8
85.06542	1.9
89.06034	0.9
91.05511	4.4
93.07054	7.9
95.08610	11.3
97.06528	2.9
99.04411	1.4
103.05486	1.4
105.07034	26.0
107.04939	2.0
107.08614	7.4
109.06512	1.2
109.10155	4.2
111.04449	5.7
117.06985	2.7
119.08592	32.0
121.06512	3.2
121.10140	7.0
123.04493	1.4
123.08115	1.4
123.11715	34.1
131.08591	1.1
133.10144	9.2
135.11707	3.8
135.73613	1.0
136.45706	0.9
137.09612	2.0
139.07565	1.5
145.10085	1.8
147.08054	1.1
147.11719	2.0
149.13254	1.3
151.07600	1.2
155.08521	1.8
157.10184	1.4
159.11700	8.0
161.13269	100.0
165.09154	4.7
169.10097	2.0
175.14825	5.9
177.12790	1.8
179.03386	3.5
183.11711	2.9
185.13274	2.7
193.15791	1.4
196.12323	1.0
197.13203	1.9
198.49957	1.1
203.14288	9.3
203.18077	1.3
221.09741	1.3
221.15373	37.0
239.07053	1.5
239.08897	6.9
239.14243	1.6
239.16383	4.9
239.18091	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	239.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.8
57.03441	0.6
66.72265	0.6
67.05511	0.7
67.85815	0.5
71.05902	1.4
75.76894	0.6
78.68329	0.5
81.03426	3.0
81.07085	1.5
87.04475	1.0
89.06035	100.0
95.04990	0.8
95.08637	1.3
100.21737	0.7
105.03409	1.3
107.07012	2.8
109.02892	3.3
109.10137	1.0
111.15331	0.6
119.08595	1.0
124.05213	12.1
133.02867	6.0
133.08609	31.9
135.04321	0.7
137.05968	5.5
147.08070	0.7
149.06030	0.7
150.19669	0.6
151.09673	2.5
153.05469	1.6
165.05505	1.7
177.11255	4.3
193.05005	8.0
193.06839	1.1
195.12347	2.4
239.07082	1.0
239.08975	5.4
239.14896	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	238.1439
Annotation	9-Angeloylretronecine
Peak:m/z	Relative Intensity
50.45594	0.6
53.03943	0.9
53.43156	0.5
55.05515	14.3
56.05045	0.8
56.96566	1.2
70.06592	1.9
70.39755	2.0
71.07367	1.5
72.08160	5.1
73.06559	11.4
79.05502	4.6
81.03412	0.8
81.07069	0.8
82.06589	0.7
84.08160	1.0
91.05481	7.0
91.29005	0.6
93.07047	2.4
95.04941	0.7
95.08630	0.7
97.06515	1.1
98.20733	0.6
103.05479	15.7
105.03397	7.4
105.07038	10.9
107.04971	6.0
117.07027	12.0
118.06566	3.5
119.07327	1.3
120.08113	100.0
121.08453	1.0
123.04421	0.8
124.03922	1.4
129.07027	4.3
130.06537	0.7
131.04944	5.8
132.08060	1.4
136.06161	1.2
137.05994	3.4
140.68599	0.6
142.07794	1.3
144.08122	0.9
146.09644	1.0
148.07527	0.8
149.05992	2.3
150.02605	0.7
157.10147	2.2
166.08652	7.1
174.12793	69.4
192.04805	1.4
192.10176	1.8
192.13850	63.6
193.14288	0.9
193.49104	0.6
194.06447	1.3
206.01678	0.9
220.08586	0.8
220.13332	21.2
232.97429	0.6
238.10544	1.7
238.14398	62.6
239.08952	0.9
239.14630	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.2213
Annotation	Bombykal
Peak:m/z	Relative Intensity
53.03933	4.7
55.01869	4.3
55.05511	70.7
57.03423	7.5
57.06832	2.6
57.07075	28.8
59.04984	2.4
65.03936	3.1
67.05139	2.3
67.05505	62.9
69.07069	100.0
70.20183	8.2
71.04990	12.1
71.08645	14.2
79.05494	32.2
81.07057	92.5
83.04974	8.9
83.08623	77.3
83.09127	3.2
85.06528	7.7
85.10184	3.3
90.77876	1.7
91.05489	10.5
93.07044	52.0
95.04985	3.9
95.08607	80.6
97.06530	17.5
97.10177	35.2
99.08083	8.1
105.07042	13.3
107.08595	58.1
109.06522	4.1
109.10156	42.1
111.04444	9.3
111.08064	13.3
111.11722	9.8
113.09647	5.9
117.07023	3.1
119.08577	14.2
121.06505	4.4
121.10137	53.6
123.08035	3.0
123.11701	24.4
123.12518	3.5
125.09625	4.1
125.13232	2.6
127.11241	1.9
131.08575	5.1
133.10135	9.9
135.08047	5.2
135.11684	39.2
137.09583	2.9
137.13283	14.4
139.11182	3.4
144.09334	2.0
145.10138	4.4
147.11688	8.3
149.02325	4.5
149.09645	3.1
149.13255	50.1
151.14795	3.0
153.12730	2.3
157.10152	2.7
159.11703	24.8
161.13272	5.4
163.11186	3.4
163.14819	16.3
167.14308	2.5
173.13303	14.5
175.14775	6.5
177.12750	12.2
177.16374	5.8
179.08539	2.1
179.10760	2.3
179.14290	8.1
181.15747	2.1
191.14299	16.7
191.17902	2.2
193.04909	3.7
195.11639	3.0
201.12738	4.8
201.16422	2.8
209.11722	5.9
219.08408	3.4
219.13805	35.4
219.17471	5.1
219.21086	55.2
222.10390	2.6
222.14069	2.1
237.07463	4.1
237.09644	3.4
237.12582	4.3
237.14714	31.3
237.18384	5.5
237.22125	85.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1851
Annotation	Godotol A
Peak:m/z	Relative Intensity
53.03940	2.7
55.01856	3.1
55.05510	13.9
57.03424	2.7
57.07074	6.7
59.04990	2.9
65.03942	3.2
65.63798	1.1
67.05503	17.8
69.03419	3.9
69.07074	19.3
71.04990	14.1
79.05495	18.5
81.07056	45.9
83.04971	4.8
83.08621	7.6
85.06547	100.0
87.04443	2.7
91.05483	17.4
93.07049	37.4
95.04961	4.8
95.08608	35.9
97.06545	6.4
97.10162	3.4
99.08091	1.6
103.05485	1.2
105.07034	42.1
107.04977	2.4
107.08598	41.5
109.06525	7.3
109.10163	20.6
111.04449	3.1
111.08066	6.8
113.06006	3.4
117.07042	5.8
119.08585	43.2
121.02840	1.7
121.06506	5.4
121.10143	30.4
123.08062	4.3
123.11678	7.0
125.05971	3.0
125.09634	4.8
129.06952	1.8
130.07742	1.9
131.08582	14.3
133.10133	41.6
135.08089	6.1
135.11696	24.1
137.05888	1.3
137.09622	3.1
137.13246	3.5
139.03923	11.7
139.07544	4.8
139.11134	1.2
143.08563	2.3
144.09300	2.2
145.10123	20.8
147.11694	17.2
148.58777	1.1
149.02362	23.9
149.03465	2.7
149.09639	5.6
149.13257	9.7
151.11137	1.3
153.09096	1.7
155.08571	1.6
157.10170	2.2
158.10889	1.5
159.11700	34.9
161.09639	1.7
161.13257	42.8
163.11160	6.8
163.14882	1.8
167.10692	1.7
167.14420	1.1
173.13255	9.3
175.14813	13.6
177.09114	2.5
177.12766	7.8
177.16356	6.8
179.10681	1.2
179.14319	8.9
181.08601	1.6
181.12207	2.5
191.14316	3.5
191.17938	7.6
193.04956	17.9
193.15897	6.6
201.12709	1.8
201.16386	19.9
216.64650	1.3
219.08368	2.1
219.10223	3.2
219.13873	8.7
219.17424	18.2
237.07506	21.7
237.11218	2.6
237.14575	10.6
237.16759	1.5
237.18483	22.3
237.22250	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	237.185
Annotation	3,7,11-Trimethyl-1,4,6,10-dodecatetraene-3,8-diol
Peak:m/z	Relative Intensity
53.03946	5.8
55.05518	31.2
56.96561	7.7
57.03433	5.9
59.04990	10.0
65.03919	5.2
67.05508	21.4
69.03420	23.3
69.07069	37.3
70.52579	8.8
71.04658	4.8
71.04997	61.9
73.06551	4.9
79.05495	28.6
81.03393	3.6
81.06591	6.2
81.07054	83.5
83.04988	35.0
83.08603	9.4
85.02902	4.8
85.06529	10.8
89.03911	4.1
91.05495	19.9
93.07048	60.5
95.04972	37.9
95.08157	3.8
95.08612	40.2
97.02857	4.8
97.06538	27.8
97.10130	6.5
98.97585	34.3
99.08086	28.3
105.07036	66.0
107.08588	69.2
109.06546	22.8
109.10162	43.8
111.08062	10.7
113.09610	5.5
117.06995	5.9
119.08579	28.7
121.06461	4.6
121.10159	51.2
123.08091	8.8
123.11678	29.9
125.09615	11.5
127.07555	12.7
127.11195	40.5
128.75890	3.6
130.07791	5.3
131.08519	13.4
133.10139	100.0
135.04416	7.3
135.08032	8.3
135.11707	23.5
137.09587	6.9
139.11189	19.2
143.10718	8.8
145.10126	36.7
147.11705	25.8
149.09624	9.6
149.13266	16.8
151.11189	78.5
153.12692	6.0
155.10623	9.3
156.08083	4.4
158.99582	9.5
159.11711	25.9
161.13274	12.2
163.03920	55.9
163.11186	10.1
164.42203	3.8
165.12747	6.2
173.13190	4.7
175.14821	7.6
177.00792	5.6
177.12778	10.6
177.16516	8.3
191.14250	4.7
191.17889	6.6
193.15932	5.4
201.16437	23.5
202.65863	3.7
219.17435	55.2
237.14981	6.5
237.18509	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	237.1849
Annotation	Atlantolone
Peak:m/z	Relative Intensity
53.03931	1.0
55.01867	1.9
55.05276	1.3
55.05514	17.2
57.07064	2.3
67.05511	7.7
67.77499	0.7
69.03416	1.3
69.06689	0.9
69.07069	17.9
69.40794	6.0
71.04994	5.2
71.77308	1.0
73.06565	0.9
77.03937	0.9
79.05119	0.8
79.05496	7.1
81.07051	11.4
83.04976	13.6
83.08635	4.3
83.95343	0.7
83.95892	0.8
85.06529	3.3
91.05478	7.1
93.06487	1.3
93.07043	17.3
95.04982	4.1
95.08609	9.6
97.06044	0.7
97.06540	6.5
97.10149	2.2
99.08113	1.3
101.00750	0.7
105.07037	8.2
107.04941	3.5
107.07882	1.7
107.08597	27.5
108.05730	2.7
109.06516	7.8
109.10159	11.5
111.08099	5.9
113.06029	0.9
117.07021	1.9
119.08564	5.8
121.05675	1.2
121.06500	13.0
121.10151	23.1
123.08102	4.2
123.11718	8.2
125.09639	1.8
131.08545	3.3
133.10135	14.6
135.08034	6.1
135.11690	12.0
137.09593	1.5
139.11198	4.0
145.10150	4.5
147.11681	4.8
149.02348	2.0
149.09618	9.9
149.13258	6.1
150.10396	7.1
151.11192	9.9
153.12758	1.2
159.11687	8.4
161.13228	3.7
163.11195	17.6
165.12775	4.5
167.10696	1.2
167.14383	0.8
173.13278	1.5
175.14821	2.2
175.43484	0.8
177.12784	8.8
177.16380	11.5
186.14063	1.1
191.18022	2.2
201.16403	6.1
205.01250	2.3
207.17439	1.2
219.08542	1.2
219.17451	100.0
223.02403	1.4
237.07433	1.3
237.09639	0.9
237.14745	2.8
237.18498	42.1
237.22191	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.185
Annotation	Atlantolone
Peak:m/z	Relative Intensity
51.94088	1.0
53.03942	2.4
54.22657	1.1
55.01863	1.2
55.05510	16.3
55.09260	1.2
57.07085	9.7
59.05013	6.2
67.05488	5.3
69.03419	3.4
69.07070	14.2
69.81994	6.5
69.82397	2.5
70.19557	1.2
71.05004	8.7
79.05489	7.8
81.07057	11.5
83.04980	11.9
83.08611	3.4
85.06544	8.7
91.05481	5.2
93.07047	24.2
95.04977	3.0
95.08601	11.7
97.06541	7.2
97.10162	3.3
105.07006	7.4
107.07881	2.3
107.08589	27.2
109.06513	4.5
109.10163	11.0
111.08068	8.1
113.09610	1.6
114.60329	1.2
117.07004	2.8
119.08602	10.2
121.06505	5.9
121.09338	2.1
121.10148	28.3
123.08028	7.5
123.11711	6.3
125.05936	2.3
125.09635	8.5
131.08586	2.9
133.10139	12.7
135.08064	4.0
135.11694	59.2
135.12727	3.2
137.09586	3.2
137.13243	1.3
139.11151	5.2
145.10141	6.4
147.11690	5.7
149.02324	2.3
149.09610	4.1
149.13249	5.0
151.11191	5.9
153.12779	7.7
159.11765	8.4
160.17770	1.2
161.13243	9.8
163.11189	11.6
165.12749	1.6
175.14859	3.7
177.12723	6.8
177.16385	12.9
179.14302	6.6
181.12236	10.2
191.17970	11.5
193.05009	1.6
193.15918	2.1
201.16406	9.0
219.14046	1.9
219.17445	52.6
237.07407	1.5
237.18501	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1851
Annotation	Godotol A
Peak:m/z	Relative Intensity
53.03949	3.5
55.01867	1.9
55.05512	24.2
56.96563	1.8
57.03436	2.2
57.07067	4.9
58.11890	1.2
59.04992	2.4
65.03938	2.0
67.05515	13.1
69.03431	9.6
69.07071	16.4
69.79777	5.8
71.05001	19.1
71.08617	2.5
79.05500	11.9
81.06595	2.3
81.07061	44.8
83.04981	20.8
83.08617	5.1
85.06535	5.3
91.05477	10.9
93.07056	25.0
95.04974	12.7
95.08617	24.6
97.02877	1.8
97.06540	10.9
97.10156	3.3
98.97598	6.4
99.08093	7.1
105.07031	21.1
107.07883	2.2
107.08600	35.9
109.06530	18.6
109.10165	26.7
111.08088	5.9
116.98614	2.3
117.07030	1.7
119.08585	13.5
120.08121	14.3
121.06506	3.2
121.10155	36.2
123.08064	15.7
123.11726	15.9
125.09644	9.0
127.07581	2.7
127.11194	7.5
129.07043	1.6
131.08586	7.4
133.10138	34.9
135.08060	5.4
135.11696	42.2
137.05925	2.0
137.09636	11.2
137.13306	1.9
139.11191	9.1
143.10681	2.0
145.10133	9.9
147.11700	10.4
149.09636	4.6
149.13249	10.9
150.10417	1.3
151.11198	52.0
151.14726	1.5
153.12749	5.3
155.10640	2.9
157.10100	2.1
158.99669	1.7
159.11707	15.5
161.13251	7.2
163.11166	3.3
163.14793	1.7
165.12782	6.3
166.08629	4.1
167.10649	2.0
167.14333	1.6
173.13251	4.2
174.18683	1.3
175.14796	5.1
177.12804	6.5
177.16396	17.4
179.14267	3.3
181.12219	2.0
191.07066	2.3
191.18001	9.1
193.15912	4.2
201.12845	2.4
201.16397	14.7
219.13913	3.0
219.17444	50.2
237.09363	1.5
237.14761	4.1
237.18507	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.185
Annotation	Godotol A
Peak:m/z	Relative Intensity
53.03947	2.4
54.81341	1.0
55.01865	1.2
55.05516	11.9
57.03434	2.5
57.07085	5.0
57.78129	0.8
61.96290	0.8
65.03928	1.3
67.05505	8.6
69.03430	7.2
69.07072	13.7
69.25369	8.9
71.05003	6.0
71.58331	0.8
76.40425	1.0
79.05494	7.2
81.07065	26.0
83.04993	8.1
83.08628	5.6
85.06544	5.5
86.89407	1.0
91.05497	7.3
93.07046	16.9
95.04960	2.8
95.08616	19.2
97.06522	5.9
97.10191	2.7
97.75569	0.8
98.21640	1.9
99.08097	1.9
102.45926	0.8
103.05472	1.5
105.07047	8.8
106.12916	0.9
107.07873	1.9
107.08601	28.8
109.06522	17.8
109.10151	12.7
111.08083	4.4
113.09624	1.4
117.07046	2.2
119.06022	1.1
119.08591	10.2
121.06506	2.4
121.10159	29.3
123.08074	13.7
123.11703	12.4
125.09638	8.7
131.08557	4.2
133.10139	12.5
135.08046	3.8
135.11699	44.2
135.12727	2.3
137.09630	11.3
137.13263	2.2
139.07570	1.3
139.11203	2.5
143.08533	1.2
144.09334	1.1
145.10121	5.9
145.11148	0.9
147.11708	5.0
149.05974	1.0
149.09622	2.5
149.13278	6.4
150.63748	0.9
151.09978	1.7
151.11195	34.3
151.14856	1.4
153.12727	2.9
157.10239	1.3
159.11691	9.3
161.09665	1.0
161.13246	5.7
163.11209	4.0
164.07108	1.5
165.07420	5.5
165.12749	7.3
166.07715	1.1
173.13298	2.6
175.14851	2.8
177.12790	3.3
177.16389	19.0
179.14383	4.5
181.12247	1.9
191.17944	10.1
193.15884	5.1
195.13843	1.0
195.17393	1.0
201.16402	12.4
208.06061	1.8
209.06432	5.1
219.08389	1.6
219.17461	41.8
237.09459	4.3
237.18517	100.0
238.18600	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1849
Annotation	Atlantolone
Peak:m/z	Relative Intensity
53.03945	1.1
55.01867	0.8
55.05501	3.3
57.07059	1.4
57.71631	0.8
59.04984	0.9
67.05511	6.7
69.07072	12.3
70.73559	2.3
71.04610	1.8
71.04996	34.5
77.88405	0.7
79.05476	2.5
81.07059	9.4
83.04974	2.7
83.08582	2.0
85.06545	1.7
91.05505	1.8
93.07043	10.7
95.04961	2.2
95.08607	13.6
105.07036	22.7
107.08595	11.5
109.06531	5.6
109.07150	1.0
109.10165	38.3
111.04495	0.9
111.08085	2.7
119.08587	23.0
121.10158	15.9
123.08079	15.8
123.11697	1.3
126.09669	0.8
131.08495	0.9
133.10143	10.6
135.11707	3.7
137.09605	2.3
137.13260	5.9
145.10120	6.8
149.09628	2.6
149.13222	4.4
151.11160	2.1
151.14787	1.0
159.11671	4.4
161.13263	42.3
163.11205	11.2
165.52690	0.8
167.14366	5.3
173.13297	2.3
175.14935	1.1
177.12738	0.8
179.14322	100.0
180.14639	1.3
201.16402	15.3
217.00992	0.9
219.14052	1.7
219.17458	35.8
237.14857	2.0
237.18512	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	236.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	1.6
57.03421	1.1
57.07066	0.8
58.06591	0.9
69.92621	2.0
71.08606	0.5
74.49913	0.3
81.07050	1.5
91.05480	2.7
93.07053	0.8
96.92353	0.4
97.02898	1.9
97.06543	0.4
98.06921	0.4
100.11279	0.6
103.04808	0.8
103.05473	13.4
105.07043	0.6
107.04951	0.6
107.08614	0.4
109.54603	0.5
115.05445	1.9
116.06281	0.8
117.06240	0.7
117.07026	10.6
119.04928	1.0
121.06496	1.1
123.04452	4.6
131.04938	39.4
131.08580	2.7
133.06499	0.7
137.05992	9.1
138.06282	0.5
144.05698	0.8
145.06499	19.4
147.04430	0.4
149.05991	100.0
150.06322	1.2
151.07576	0.7
152.07072	1.4
159.08076	3.8
161.05952	0.7
162.06781	1.5
163.07558	31.5
164.07878	0.7
168.85616	0.3
172.07487	0.4
176.08232	0.4
177.09082	3.7
201.12761	1.6
218.08177	4.2
219.13817	52.8
220.14087	0.7
236.09222	3.6
236.16521	50.9
237.16817	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0695
Annotation	ZILEUTON
Peak:m/z	Relative Intensity
52.66288	0.2
55.05500	0.5
57.03442	0.2
65.03949	1.9
67.05506	0.3
69.03446	0.4
69.74878	0.2
69.99416	0.9
79.05504	0.3
81.07048	0.5
83.04993	0.8
91.05488	100.0
92.05824	0.7
93.07045	0.6
94.32710	0.2
95.04972	0.3
95.08611	0.3
97.06530	0.5
98.21372	0.2
103.24533	0.2
105.07042	0.5
107.08597	0.4
109.06525	0.4
109.10180	0.2
115.05349	0.2
119.04957	0.7
121.06504	0.4
121.10160	0.2
133.10069	0.2
135.08051	0.4
136.06210	0.8
137.06003	2.0
139.05038	0.4
145.10147	0.3
146.06068	0.4
147.04410	0.5
149.09644	0.2
153.09380	0.2
159.11693	0.2
163.05876	0.2
163.07465	0.3
173.13194	0.3
177.05505	0.3
191.06395	7.7
191.08992	0.4
191.10722	0.3
191.14314	0.2
219.06454	0.3
219.08429	1.8
219.13788	0.3
237.06964	34.6
237.09201	1.5
237.14888	1.4
238.07170	0.3
255.01802	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89384	0.4
55.01878	0.7
56.71071	0.4
56.96571	1.9
57.03442	8.9
58.06604	18.7
59.07381	8.8
60.08168	5.9
61.02923	0.4
67.05503	0.4
69.43893	3.2
73.02923	1.7
74.02463	0.5
75.04482	4.0
79.05553	0.4
81.07126	0.4
85.02916	2.1
86.09715	0.5
87.04478	5.9
91.05472	0.6
97.02930	0.6
98.97576	2.0
101.00901	0.5
103.03941	0.6
105.05508	0.8
106.06566	1.0
116.04977	0.9
118.29166	0.4
119.01898	1.0
120.02006	0.4
123.04392	0.6
129.06982	0.9
131.07068	1.6
133.01570	0.6
134.06017	3.3
135.04436	1.5
136.06174	0.8
137.05978	2.1
144.08101	2.7
144.10194	0.9
146.06036	5.9
147.04459	0.5
149.01138	7.2
162.04271	1.4
162.05496	13.4
162.06793	0.8
162.09143	0.5
163.06311	1.1
169.01810	0.5
170.99066	3.1
171.01416	1.8
172.07616	1.8
175.06247	1.0
176.05858	1.4
177.06567	0.5
183.04395	0.4
187.06564	0.5
189.00151	1.9
190.08632	11.4
200.07054	1.1
213.00203	1.6
213.02393	0.6
213.04242	1.0
213.06213	0.7
218.08134	100.0
219.08412	1.2
219.12709	0.5
231.01233	1.2
231.05290	0.9
236.09247	79.4
236.14925	89.4
237.02524	0.4
237.09503	1.1
237.15254	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03163	0.6
57.03439	10.6
58.06602	20.8
59.07383	9.1
60.08165	5.9
70.84438	0.5
70.84747	0.5
73.02908	1.3
75.04484	4.8
84.08127	0.3
85.02908	1.6
87.04008	0.4
87.04479	6.0
93.05500	0.6
103.03976	0.7
105.05506	1.0
106.95163	0.3
131.07034	1.9
134.05989	0.5
135.04399	0.5
138.32471	0.3
144.08119	0.5
144.10190	0.9
149.01125	2.1
150.92920	0.3
159.14249	0.4
162.04300	0.5
162.05490	1.8
190.08609	1.5
192.08943	0.5
218.08128	12.9
219.08537	0.5
224.35220	0.3
236.09439	9.9
236.14931	100.0
237.15294	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89064	0.3
57.03441	8.6
58.06604	18.6
59.07385	8.3
60.08169	6.9
71.09129	0.5
73.02905	1.3
75.04488	3.4
75.07413	0.4
80.50537	0.4
85.02892	1.7
87.04469	5.8
95.90710	0.4
103.03941	0.5
105.05521	1.1
120.44746	0.3
131.07024	1.8
144.10197	1.1
149.01115	0.7
162.05508	1.2
188.70708	0.4
190.08638	1.0
218.08134	9.5
236.09431	8.3
236.14940	100.0
237.15228	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.0797
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27729	2.5
69.12936	2.2
71.38949	4.3
71.39307	2.8
91.23453	2.2
133.01646	6.2
142.42934	2.0
149.01138	100.0
162.04327	23.0
176.05881	25.2
177.06686	14.7
192.09001	10.5
211.11182	2.7
220.05540	2.4
236.07983	76.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.0919
Annotation	Swietenidine A
Peak:m/z	Relative Intensity
56.70368	0.5
57.03420	0.6
58.06594	0.8
69.96581	2.3
83.09094	0.5
95.72720	0.5
98.20847	0.8
103.05585	0.5
106.06588	0.6
107.36472	0.4
116.04979	1.8
134.06038	2.9
135.04396	2.2
137.05975	1.7
144.08124	2.3
147.04456	0.8
162.05507	15.1
163.06245	1.4
172.07556	2.3
175.06210	0.8
190.08644	10.7
200.07108	0.6
218.08133	100.0
219.08432	2.1
236.09189	96.7
236.14462	3.5
237.09512	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.0797
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27729	2.5
69.12936	2.2
71.38949	4.3
71.39307	2.8
91.23453	2.2
133.01646	6.2
142.42934	2.0
149.01138	100.0
162.04327	23.0
176.05881	25.2
177.06686	14.7
192.09001	10.5
211.11182	2.7
220.05540	2.4
236.07983	76.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.0798
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84457	1.7
56.22609	1.8
56.96554	7.2
57.03432	7.7
58.06607	14.2
59.07373	7.6
60.08165	4.5
61.02892	2.2
69.86132	8.4
75.04469	5.0
76.98645	1.8
80.05018	4.3
81.03410	4.1
85.02883	3.7
86.09685	2.9
87.04462	6.1
91.98466	1.8
98.97579	6.6
101.00838	1.8
106.24934	1.7
116.98611	2.0
119.01865	1.7
122.06059	4.2
133.01624	6.0
140.07057	5.4
141.05489	2.3
149.01137	100.0
155.04651	1.9
158.08104	2.6
161.74997	1.8
162.04282	19.4
162.05515	7.1
168.06599	2.0
171.02582	3.4
176.05858	28.8
177.06676	12.1
183.52161	1.9
189.03569	5.2
190.08623	6.6
192.09036	8.4
211.16891	1.9
213.03683	5.5
218.08118	40.3
218.82607	1.9
236.07671	65.3
236.14934	81.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.2056
Annotation	Callicarpenal
Peak:m/z	Relative Intensity
51.33918	1.0
53.03938	3.2
55.01871	1.4
55.05268	1.4
55.05509	12.8
57.03439	1.7
57.07076	16.1
58.06594	0.9
65.03920	3.3
67.05506	100.0
69.07069	14.3
69.88642	5.3
71.04982	2.9
73.31698	0.8
79.05496	34.4
79.05972	1.8
81.07058	93.4
83.04944	1.5
83.08624	9.1
85.06537	3.6
91.05485	12.8
93.07049	48.0
95.04958	2.0
95.08611	96.4
97.06529	4.3
97.10150	5.9
98.20837	1.6
99.08096	1.8
105.07036	9.4
107.08598	19.8
109.06494	1.3
109.10162	32.3
111.08061	2.3
111.11710	1.8
119.08563	8.2
121.06426	1.2
121.10149	59.1
122.10507	1.2
123.08073	1.1
123.11736	8.2
133.10159	8.8
135.11697	53.7
137.13240	2.4
147.11720	6.8
149.13255	7.6
153.12737	2.1
161.13310	4.9
175.14833	3.4
179.10658	10.0
199.86401	1.2
217.19531	12.9
220.39281	1.1
232.39104	1.0
233.78419	1.0
235.15120	1.3
235.16916	29.3
235.20557	65.2
236.14952	5.5
236.21059	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.0554
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	0.3
57.03436	0.9
57.07060	0.8
58.06597	1.3
58.07398	0.5
59.07381	0.8
60.08161	0.5
71.48137	0.3
73.32737	0.2
74.02466	0.2
75.04503	0.3
87.04475	0.5
89.03908	0.3
91.05472	0.7
92.05005	0.3
103.05484	0.4
106.06555	0.9
109.06522	0.2
115.05485	0.3
116.04996	1.2
117.03389	0.3
117.07082	0.3
118.06559	1.4
119.04924	0.4
123.35172	0.2
128.04962	0.2
129.07051	0.7
131.04935	0.5
133.05261	0.3
134.06015	4.1
135.04407	3.9
137.05994	2.0
138.48366	0.2
144.04480	0.5
144.08112	1.8
145.06479	0.4
146.05998	3.1
147.04413	2.0
150.09149	0.4
152.07109	0.2
161.06050	0.4
162.05508	100.0
163.03909	3.1
163.06128	1.5
163.07413	0.3
164.07071	2.7
172.07558	1.6
175.06264	0.4
176.07117	0.4
177.01773	0.2
178.04968	0.5
178.08662	1.6
180.06577	1.5
180.10999	0.4
190.04997	5.2
190.08646	6.8
191.03474	1.5
192.06598	1.7
194.53230	0.2
200.07095	0.4
201.07965	0.3
204.10228	7.1
205.01349	0.5
207.08858	0.5
208.06067	18.3
218.08130	55.3
236.05676	7.9
236.09184	45.9
236.12816	8.3
236.14954	7.4
236.17284	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.2057
Annotation	Callicarpenal
Peak:m/z	Relative Intensity
53.03942	1.9
55.05515	12.2
55.47935	1.6
57.06420	1.2
57.07094	7.7
60.40611	1.8
65.03937	3.6
65.41815	1.6
67.05509	100.0
69.07068	16.9
69.42672	10.9
71.04987	2.4
73.64247	1.7
79.05074	2.5
79.05496	34.4
81.07059	89.6
83.04980	1.9
83.08622	11.7
85.06533	4.2
85.67394	1.6
91.05484	11.4
93.07042	42.9
95.04948	1.7
95.08610	94.8
97.06518	2.6
97.10173	4.7
99.08071	3.2
105.07017	7.1
107.08589	21.3
109.06499	2.2
109.10161	30.9
111.08109	1.7
119.08582	4.3
121.10147	50.8
123.11761	7.1
133.10141	7.2
135.10713	3.3
135.11696	52.4
139.11134	2.0
147.11700	7.1
149.13249	8.0
152.05270	1.7
161.13248	3.6
179.10611	4.5
217.19545	9.0
233.45361	1.4
235.14932	3.0
235.16908	15.4
235.20558	59.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.2057
Annotation	Callicarpenal
Peak:m/z	Relative Intensity
50.47747	0.9
53.03941	2.1
55.01866	2.9
55.05513	14.8
57.03424	3.5
57.07078	36.5
58.68866	0.8
58.96115	2.9
61.21576	0.8
62.77949	0.8
65.03931	3.7
67.05507	82.8
69.03430	12.0
69.06726	1.5
69.07069	16.1
69.92635	4.1
71.04982	3.2
71.08625	6.9
79.05495	30.7
81.03421	1.6
81.07056	100.0
83.04992	4.5
83.08627	9.5
85.06546	13.0
85.10178	3.9
91.05482	30.4
93.07044	31.2
95.04972	5.3
95.08611	77.6
97.06535	14.8
97.10180	3.6
99.08092	10.4
99.98743	2.5
101.83719	0.9
105.07026	18.7
107.04952	1.1
107.08587	18.6
109.06515	4.1
109.10161	26.1
111.04437	1.1
111.08081	7.6
113.09633	4.3
117.07022	2.9
117.99813	1.1
119.08588	23.9
121.06479	2.3
121.10145	19.9
123.04421	1.5
123.08066	6.1
123.11700	17.6
125.09607	2.3
127.11184	1.7
131.08578	2.4
133.10139	27.1
135.08055	2.4
135.11696	17.8
137.06003	1.6
137.09616	5.4
137.13258	20.6
139.03879	7.3
139.11171	1.6
143.08556	1.0
147.11693	15.3
149.09637	1.2
149.13255	6.1
151.03928	1.1
151.07552	1.8
151.11188	3.4
151.14818	7.4
152.08301	1.0
153.12733	1.6
157.10172	1.2
159.08018	1.4
161.06003	1.5
161.09705	1.4
161.13240	12.7
162.06754	1.5
163.14870	1.6
165.12729	1.2
171.11661	1.4
172.46738	1.0
173.13338	1.3
175.07504	1.8
175.11186	2.5
175.14865	7.7
177.09116	1.4
179.06953	1.4
179.10681	14.1
189.12772	1.4
189.16434	5.3
190.65160	0.9
191.17905	2.2
193.08633	1.2
193.12274	2.0
199.14789	2.1
207.11638	0.9
207.13773	0.9
211.94058	1.3
212.60751	0.9
216.71385	0.9
217.12292	2.6
217.15921	2.8
217.19519	39.6
218.08144	3.8
220.12474	1.5
235.09630	4.6
235.13217	21.4
235.16937	52.9
235.20567	69.2
236.09213	2.2
236.17178	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.2055
Annotation	Callicarpenal
Peak:m/z	Relative Intensity
55.05509	14.4
56.53453	1.2
56.74744	1.1
57.07062	6.2
65.03933	3.1
67.05504	100.0
69.07065	15.3
71.04512	3.0
71.04943	2.7
79.05082	1.9
79.05497	31.1
81.07057	94.3
83.08632	11.0
83.37019	1.1
85.06524	3.2
91.05477	9.1
91.58334	1.1
93.07047	38.3
95.04998	1.9
95.08606	88.7
97.06530	1.9
97.10149	4.5
97.10732	1.2
99.08073	1.8
105.07006	5.4
107.08598	15.4
109.10153	36.2
119.08574	6.1
121.10144	53.4
123.11698	5.6
133.10106	7.3
135.11690	54.8
139.11147	2.3
141.01712	1.4
147.11700	4.6
148.92859	1.3
149.13268	6.7
153.12766	1.4
161.13289	3.0
175.14764	3.3
179.10677	3.7
201.35135	1.2
217.19577	7.1
222.35478	1.1
235.14899	2.0
235.17050	11.1
235.20572	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	235.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.1
53.86192	2.0
55.05516	14.5
57.07080	34.0
67.05508	92.5
69.07065	15.4
69.81359	10.2
71.04992	6.1
79.05502	41.3
81.07063	94.9
83.04974	2.2
83.08627	11.9
85.06533	6.0
91.05487	15.8
93.06487	4.4
93.07043	53.2
95.04947	4.9
95.08612	100.0
96.08916	2.1
97.06539	6.9
97.10175	5.1
98.21417	2.8
99.66088	2.1
103.42756	2.5
105.07031	22.9
105.42718	2.0
107.04942	3.4
107.08608	29.8
109.06525	9.0
109.10158	34.5
111.08092	5.9
113.26926	1.9
119.04893	2.4
119.08584	14.4
121.06480	4.4
121.10155	82.7
123.04464	1.9
123.08074	4.8
123.11749	6.6
125.05991	7.7
131.08586	4.4
133.06473	4.5
133.10143	15.4
135.11696	55.1
137.13255	3.6
139.07532	22.0
143.08620	3.6
145.10139	3.8
147.08067	2.2
147.11693	10.1
149.13313	7.1
151.07552	12.1
157.10156	4.7
159.11763	5.2
161.09662	18.0
161.13240	5.9
175.11209	5.6
175.14822	4.8
179.10672	20.4
189.16386	6.8
199.14923	10.7
217.15909	56.6
217.19234	10.4
218.08127	3.6
220.12509	2.6
235.13216	4.5
235.14932	4.6
235.16954	81.0
235.20576	70.8
236.09390	3.2
236.14978	2.9
256.57657	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.2056
Annotation	Callicarpenal
Peak:m/z	Relative Intensity
51.02359	1.5
51.90684	1.1
53.03937	3.0
55.01846	2.4
55.05278	1.2
55.05512	14.0
57.03430	1.5
57.07081	14.5
65.03951	3.3
67.05508	100.0
68.05812	1.9
69.07072	16.0
71.04983	3.0
71.10367	2.4
79.05491	34.4
81.07057	95.4
82.07362	1.7
83.08614	9.9
85.06540	4.5
91.05494	10.7
93.07044	48.5
95.04972	3.7
95.08609	95.1
97.06523	3.2
97.10165	4.9
99.08098	3.5
105.07021	7.2
107.08598	20.1
109.06506	1.7
109.10160	32.3
111.11721	2.4
119.08579	5.5
121.10147	60.5
123.10926	1.3
123.11703	7.3
133.10143	8.8
135.11700	54.9
137.13280	2.0
139.11176	1.9
147.11716	5.4
149.13264	6.5
161.13243	4.7
175.14828	5.7
179.10696	8.9
189.16377	1.9
217.12263	1.5
217.15898	1.6
217.19499	7.7
228.90413	1.3
235.16940	31.5
235.20572	68.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1693
Annotation	[S-(E)]-2-(1-Hydroxy-4-methyl-3-cyclohexen-1-yl)-6-methyl-2,5-heptadien-4-one
Peak:m/z	Relative Intensity
51.02387	1.2
51.90362	1.0
53.00307	1.0
53.03936	1.4
55.01866	3.3
55.05505	7.9
57.07074	18.7
59.04987	2.7
65.03944	1.6
67.05495	12.9
67.99563	1.1
69.03409	4.0
69.07066	14.0
69.46526	7.9
71.04970	4.4
73.02238	1.3
77.03904	1.5
79.05494	11.4
81.03408	2.3
81.07047	17.1
83.04964	3.8
83.08600	3.9
85.06532	4.3
91.05475	13.9
93.07043	15.6
95.04960	7.1
95.08604	19.4
97.06518	16.1
98.20773	2.6
105.07031	28.5
107.04960	2.1
107.08595	30.6
109.02895	2.7
109.06496	8.1
109.10154	14.0
111.04443	2.9
111.08078	2.9
115.05418	1.9
116.07066	2.1
117.06995	5.1
119.04886	1.5
119.08581	84.3
121.02908	1.3
121.06481	3.9
121.10125	14.4
123.04412	1.8
123.08055	3.4
123.11695	5.9
125.09586	1.6
128.06201	3.4
129.06981	2.2
131.08582	13.9
133.10127	48.1
135.08052	16.6
135.11693	7.9
137.06049	1.4
137.09607	6.1
139.03899	13.1
139.11118	2.6
141.06996	1.7
142.07750	3.9
143.08574	10.9
144.09338	2.4
145.10112	13.7
146.07237	1.5
147.08118	7.5
147.11676	17.3
149.02385	2.7
149.09628	2.5
149.13251	1.9
151.11159	7.7
156.09334	3.5
157.10135	11.1
158.10924	3.6
159.11679	13.2
161.09608	29.1
161.13210	6.2
169.10155	2.1
170.10876	2.4
171.11679	8.1
173.13271	19.5
175.07584	1.2
175.11191	13.1
175.14795	19.0
177.12730	6.9
179.10678	16.8
184.12459	3.3
187.11171	2.5
187.14783	4.5
189.12738	3.6
189.16364	18.5
191.07013	2.2
191.14301	3.8
193.15944	2.7
199.14793	12.0
202.13513	2.2
217.15874	89.4
218.16246	1.8
235.09538	8.9
235.13194	3.3
235.16922	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82749	0.2
53.03944	0.8
55.05512	13.2
57.03451	0.3
57.05814	1.0
57.07081	2.5
58.06593	0.3
62.02467	0.3
67.05504	0.9
69.07068	1.2
69.63171	0.2
70.18300	1.1
72.08156	33.0
73.06554	6.1
73.06931	0.4
79.05472	0.6
81.07072	1.4
83.05010	0.2
83.08598	0.3
91.05488	0.7
92.05012	1.1
93.07047	1.0
95.05003	0.5
95.08617	1.2
97.06521	1.8
98.06052	1.3
98.21629	0.3
105.07039	1.1
107.08600	0.8
109.02843	0.3
109.10160	0.7
116.07093	100.0
117.07430	0.5
119.08576	0.9
120.04472	1.2
121.06557	0.3
121.10178	0.7
123.04430	0.4
123.08089	0.4
123.11715	0.4
123.14711	0.2
133.06584	0.3
133.10129	1.1
135.11688	0.3
137.09673	0.3
139.03914	1.3
147.11696	0.6
159.11693	0.6
161.07635	0.3
161.13274	0.6
175.14795	0.9
179.10669	1.6
189.16422	0.6
191.06908	0.3
199.14774	0.3
217.15866	0.5
218.08107	0.6
235.11014	5.7
235.13220	0.7
235.14798	0.4
235.16930	6.9
235.20537	0.5
236.11322	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0965
Annotation	Coumarsabin
Peak:m/z	Relative Intensity
50.09554	0.6
53.00300	0.9
53.03943	2.0
55.01878	6.7
55.05507	1.2
57.03436	0.9
57.07074	2.2
62.92749	0.5
65.03937	1.6
67.05506	4.6
68.99814	0.8
69.03433	3.6
69.07072	34.0
69.67262	2.9
71.01357	1.5
73.40121	0.5
76.53122	0.5
77.03915	0.5
77.71855	0.6
79.05498	20.4
80.05828	0.6
81.07066	1.6
83.04987	4.9
91.05472	0.9
93.03405	2.1
93.07062	1.1
95.04971	1.6
95.08610	1.4
97.06536	67.1
98.06902	0.6
98.20793	0.7
105.04530	0.7
105.07083	1.1
107.08588	0.9
109.10174	0.6
111.04446	7.1
119.08567	2.1
121.02869	1.5
133.10135	1.0
139.03911	100.0
140.04268	1.1
147.11646	0.9
151.03922	1.4
161.09659	0.8
161.13222	0.6
175.14839	1.2
179.10751	1.6
217.15958	0.7
235.09662	70.6
235.16901	4.9
235.20471	1.0
236.09850	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0966
Annotation	trans-p-Coumaryl diacetate
Peak:m/z	Relative Intensity
51.12500	0.2
55.01883	0.3
56.94331	0.2
56.96551	0.3
57.07076	4.6
58.06598	0.3
59.63750	0.2
63.22282	0.2
64.26704	0.2
67.05484	0.3
68.99779	0.9
69.60732	1.5
70.06580	0.2
72.93778	0.3
74.32014	0.3
79.05486	0.8
84.08138	0.9
91.05492	1.8
93.07057	0.4
95.04951	0.3
95.08610	0.3
97.06570	0.4
98.20856	0.5
99.20139	0.3
103.05476	0.7
104.06228	0.4
105.07057	1.3
107.04987	0.4
107.08579	0.3
115.05450	3.4
117.07014	2.4
119.04949	0.3
119.08590	1.2
121.06506	0.3
121.10198	0.2
123.04424	0.7
128.05371	0.2
128.06200	1.4
129.07002	4.4
131.04930	1.4
131.08621	0.4
132.05714	2.1
133.06494	1.6
135.08035	0.3
137.05937	0.4
143.04929	0.8
143.08577	0.3
145.06465	0.6
147.04466	0.7
147.08028	2.7
148.05222	0.4
148.99045	0.2
149.05956	1.6
151.03900	0.5
151.07625	0.3
157.06479	3.5
157.10100	0.3
159.08089	0.3
160.05197	5.0
161.05995	2.5
162.06679	0.3
163.07549	1.0
174.06776	0.4
175.07545	100.0
176.07875	1.5
179.10677	3.4
185.06001	1.3
189.05492	1.8
189.09099	3.2
191.07062	3.3
193.08665	0.6
203.07054	0.3
209.08002	0.3
216.97899	0.4
217.04935	0.5
217.08665	1.2
218.08102	2.2
234.98985	0.7
235.05899	0.7
235.07994	0.4
235.09657	10.4
235.16917	12.7
235.20575	0.6
236.09169	1.6
236.14799	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0966
Annotation	Coumarsabin
Peak:m/z	Relative Intensity
53.00313	1.7
53.03953	2.7
55.01872	7.6
55.05536	0.7
57.03445	1.7
57.07079	2.7
65.03954	1.6
65.85831	0.6
67.05507	6.3
69.03431	3.8
69.07074	26.8
70.62389	1.9
71.01366	1.5
77.03898	0.9
79.05499	23.9
81.07062	1.5
83.04980	4.5
88.07664	0.8
89.08521	0.6
91.05469	1.1
93.03415	1.8
93.07045	1.5
95.04968	2.2
95.08636	1.9
97.06537	92.7
98.06863	0.7
105.04510	0.8
105.07049	1.5
107.08601	1.9
111.04473	8.0
111.08115	0.6
119.08604	2.2
119.50331	0.6
121.02846	1.2
121.06562	0.6
121.10134	0.9
121.17411	0.6
125.09658	0.8
133.10149	1.6
135.11743	0.7
139.03911	100.0
140.04294	1.4
143.08502	0.8
147.04430	0.6
147.11613	0.8
170.62892	0.7
175.07573	1.6
179.10686	2.3
186.69737	0.7
187.18893	2.4
188.73625	0.6
189.09201	0.8
189.16368	0.8
191.07059	1.5
193.91745	0.6
217.15874	1.2
235.09665	94.1
235.16919	7.3
235.20898	4.6
236.09966	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.1
56.96548	1.4
57.07078	38.1
57.42632	1.3
59.04997	1.2
60.04515	5.5
61.01154	59.8
65.03924	1.5
67.05509	2.9
68.99789	8.6
69.07040	2.2
71.04971	2.0
71.48188	1.9
72.04516	23.7
72.93777	1.6
78.03796	19.6
79.05481	3.3
81.07050	3.7
81.96876	1.5
86.06078	10.5
87.00832	35.7
90.05546	3.9
91.05476	4.8
95.04967	2.8
95.08609	3.6
97.02884	1.5
97.06550	1.2
98.97602	1.3
102.03768	22.5
103.02168	41.8
103.03922	2.2
103.05418	2.7
104.01693	2.3
105.00101	2.2
105.07020	4.9
107.04942	1.5
107.08579	2.3
107.63074	1.4
109.06519	2.2
109.10175	1.3
109.32583	1.5
113.96375	1.3
114.03796	12.4
114.05536	77.0
115.05460	6.7
116.03485	1.6
117.07014	2.7
119.04913	2.5
119.08591	3.7
120.04811	65.2
121.06517	1.5
121.10104	1.4
123.04417	4.1
128.06236	2.1
129.00105	8.3
129.06985	4.2
130.05064	1.6
131.04944	6.0
131.06401	10.4
132.04774	13.4
133.06479	3.3
133.10146	3.9
136.06224	1.4
137.05894	1.4
140.03439	4.0
143.04932	3.2
143.08583	1.7
145.06432	1.5
145.10139	1.5
146.02719	24.8
147.01112	27.0
147.04387	2.4
147.08090	3.4
147.11702	3.3
149.06010	7.3
149.07445	52.1
151.03880	2.3
157.06532	3.9
157.10121	2.2
160.05153	5.9
161.05957	6.9
161.09683	1.3
162.05737	3.4
163.07495	2.1
164.03760	21.1
171.11653	3.1
174.05817	6.4
175.07550	80.3
179.10687	25.1
185.06052	1.5
188.92503	1.6
189.05446	11.8
189.09081	5.0
191.07060	2.4
191.08499	29.8
206.04750	2.0
217.06476	8.5
217.08498	3.2
217.12312	3.9
218.04813	4.7
218.08171	8.5
234.96899	3.2
234.99057	1.6
235.05557	2.6
235.07506	24.0
235.09691	12.2
235.13428	3.1
235.16933	100.0
236.09195	5.5
236.14848	1.8
252.97945	3.0
258.46106	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.3
55.01864	0.8
55.05513	5.5
56.96544	0.9
57.03434	2.2
57.07079	1.8
59.04989	3.1
60.33234	0.9
61.01151	1.2
67.28358	0.8
69.76836	3.2
69.77250	1.8
70.02954	9.3
71.08625	4.9
72.04518	14.5
72.93772	1.4
73.02915	2.1
74.02424	1.4
79.05500	4.1
81.06593	1.6
81.07060	25.6
82.65576	0.8
83.08617	4.9
88.02233	1.0
89.68240	0.9
90.05560	100.0
97.06533	0.8
97.46288	0.9
98.02415	18.3
98.97588	1.1
99.08099	8.3
100.03983	1.4
101.09647	2.1
102.03760	1.0
109.06522	21.5
109.07265	1.4
110.06084	0.9
110.09693	2.4
114.05536	1.3
116.03462	10.7
117.09134	3.0
119.04957	0.8
120.04780	1.5
126.09182	1.5
127.07568	1.3
131.04932	2.1
132.08884	0.8
133.06470	1.0
134.06772	0.9
136.06181	6.2
137.05951	1.1
138.09151	18.4
145.08580	0.9
148.06158	1.0
148.34306	1.0
150.06325	1.5
156.10178	4.8
160.07640	1.1
168.07391	1.0
170.11836	1.2
172.20993	0.9
174.11299	0.9
175.07549	3.0
180.10194	2.9
184.59933	0.9
188.07086	2.6
188.12866	1.2
190.09401	3.6
190.10867	4.3
198.09462	1.7
198.11272	27.7
199.44165	0.9
203.13571	1.0
216.06654	3.2
216.10475	1.2
216.12347	20.6
234.07642	3.9
234.11330	7.3
234.13397	28.2
235.16957	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01206	0.2
50.28444	0.3
52.76131	0.3
56.05836	0.3
57.07079	1.2
58.06603	100.0
59.06930	0.5
67.05529	0.5
69.07075	0.5
71.07252	0.3
72.19810	0.3
73.03636	0.7
73.04044	12.6
79.05500	0.8
81.07068	0.5
83.99971	0.3
86.06090	0.9
91.05491	0.5
92.05012	0.4
93.07043	0.4
94.06573	2.8
95.04999	0.4
97.06560	0.5
105.07073	0.5
106.06557	18.3
107.08616	0.4
109.10184	0.4
115.08692	4.0
120.04475	2.3
121.10168	0.4
133.10284	0.3
145.79430	0.3
146.10513	0.3
147.04521	0.3
147.11615	0.3
149.07086	1.4
161.05984	0.4
163.05113	0.7
174.13649	0.4
175.48157	0.4
192.07692	17.9
216.06606	0.4
216.14975	0.4
234.04773	0.3
234.07782	0.8
234.12440	8.2
234.15797	2.5
234.19495	0.9
234.22310	4.9
234.24284	0.4
235.16930	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14924	0.3
55.05492	0.3
57.07080	0.5
58.06604	100.0
59.06947	0.6
70.76852	0.3
71.49611	0.4
71.85058	0.3
73.04048	12.3
79.05508	0.8
81.07050	0.7
81.18494	0.3
82.57526	0.3
86.06099	0.8
92.05018	0.7
93.07074	0.5
95.08652	0.5
105.07059	0.4
106.06566	10.0
107.08630	0.5
115.08692	3.4
119.08598	0.6
120.04468	2.4
120.08991	0.3
121.06522	0.3
129.07117	0.3
131.08618	0.3
137.06023	0.3
139.03967	0.5
145.67188	0.3
149.07146	1.1
151.03897	0.4
160.12003	0.4
163.05119	0.9
189.09088	0.3
192.07687	19.8
216.18391	0.4
234.07762	0.5
234.12402	8.2
234.15701	1.2
234.19347	0.5
235.13232	0.4
235.17053	1.1
236.14069	0.3
243.35675	0.3
243.91484	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.19
Annotation	Gibbilimbol A
Peak:m/z	Relative Intensity
53.03936	3.9
55.01872	2.3
55.05513	11.5
57.03425	2.7
57.07074	7.3
65.03947	1.2
67.05505	36.9
69.03419	1.9
69.07072	11.1
70.10700	2.3
71.05001	5.6
71.38247	1.1
79.05492	58.5
81.03380	1.2
81.07058	45.5
83.04971	1.9
83.08615	7.4
85.06544	9.8
86.49598	1.0
91.05480	32.5
93.07041	74.3
95.04974	6.7
95.08608	26.8
97.06530	11.0
97.10169	2.4
99.08106	5.3
105.04531	1.4
105.07028	24.0
107.04966	7.4
107.08594	45.1
109.06493	4.0
109.10149	11.1
111.08083	8.1
113.09609	1.3
117.06990	9.5
119.08579	21.9
121.06509	2.5
121.10141	40.5
123.08063	2.7
123.11711	8.2
125.09650	2.2
129.06956	1.8
130.07784	1.2
131.08563	29.9
133.10129	27.0
135.08058	3.6
135.11688	49.9
137.05952	1.4
137.09685	5.3
137.13251	1.2
139.11113	1.5
144.09315	1.0
145.10120	26.0
147.11687	18.5
149.09602	8.1
149.13255	22.3
151.11168	4.2
157.10136	2.5
159.08070	1.3
159.11696	22.8
161.13274	5.5
163.07521	1.1
163.11195	3.3
163.14856	1.4
171.11734	1.7
173.13271	18.7
175.11295	1.9
175.14803	2.8
177.12700	1.3
187.14778	8.8
189.16406	4.4
191.14279	7.5
205.19554	2.3
215.14548	2.0
215.17950	67.9
216.18297	1.1
218.10776	1.3
233.08122	1.2
233.13344	1.8
233.15486	22.3
233.18999	100.0
234.19276	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.3
54.97760	0.8
55.01859	1.6
55.05507	12.9
57.03422	3.4
57.07076	7.9
65.03927	1.8
67.05503	34.4
69.03422	1.4
69.06737	1.1
69.07071	12.6
70.50391	2.2
70.65115	0.8
71.04984	8.0
76.40061	0.8
77.03918	1.7
79.05492	67.6
81.07057	43.8
83.04973	1.3
83.08614	8.3
85.06550	7.3
91.05480	34.7
93.07043	76.8
95.04984	5.3
95.08605	27.6
97.06534	8.1
97.10159	2.9
99.08073	4.1
103.05486	0.9
105.04523	2.1
105.07032	24.1
107.04964	1.9
107.08596	44.8
109.06509	3.8
109.10167	11.1
109.69914	0.9
111.08071	8.3
113.09647	1.7
117.07013	11.3
119.06149	0.9
119.08574	20.8
121.06514	2.4
121.10144	38.6
123.08070	2.8
123.11721	9.2
123.27930	0.8
125.09601	3.1
129.07001	1.9
130.07869	1.1
131.08560	25.3
132.58681	1.0
133.10127	27.7
135.08061	4.4
135.11693	52.8
137.09637	4.4
137.13269	2.2
139.11147	2.0
145.10130	27.7
145.11292	1.3
147.08075	1.2
147.11688	19.1
149.09624	7.3
149.13260	28.6
151.11160	3.3
157.10051	0.9
159.08015	0.9
159.11694	21.3
161.05957	1.9
161.13248	6.5
163.11145	3.2
163.14781	2.1
165.12581	1.0
173.13264	19.9
174.13937	0.8
175.11205	1.4
175.14838	3.6
177.05460	1.8
177.12804	1.5
187.14795	8.2
189.12643	1.0
189.16383	5.0
191.03395	2.4
191.14320	3.3
204.31235	0.9
205.19527	3.2
215.14526	2.0
215.17958	61.2
216.18292	1.4
222.94717	0.9
223.43515	1.0
233.04498	1.1
233.08209	1.1
233.11638	2.9
233.15532	14.7
233.19002	100.0
234.16150	1.3
234.19281	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.19
Annotation	Gibbilimbol A
Peak:m/z	Relative Intensity
53.03947	2.3
55.01871	1.5
55.05512	13.6
57.03442	3.2
57.07078	7.6
65.03944	1.3
67.05505	36.4
68.36805	0.5
69.03430	0.5
69.07069	10.9
70.07407	0.4
71.04995	6.3
71.08639	1.0
71.49557	0.5
77.03929	0.8
79.05493	59.9
80.05826	0.8
81.07056	40.6
83.04987	1.7
83.08619	7.9
85.06547	7.5
88.96961	0.5
91.05479	31.7
93.07044	74.0
95.04954	5.5
95.08607	27.0
97.06532	7.3
97.10172	1.9
99.08094	4.8
105.04510	1.9
105.07034	23.7
107.04958	1.1
107.08592	43.2
107.92973	0.4
109.06522	3.6
109.10162	11.1
111.08088	7.5
113.09647	1.2
115.05458	1.0
116.06252	0.5
117.07018	12.5
119.08583	20.1
121.06539	1.0
121.10145	41.4
122.10487	0.5
123.08091	3.7
123.11695	7.0
125.09669	2.4
129.07022	1.5
130.07846	0.9
131.08569	26.4
133.10135	24.7
135.08046	3.9
135.11691	50.5
136.12048	0.5
137.09610	4.4
137.13274	1.4
139.11201	1.9
143.08568	0.8
144.09357	1.1
145.10123	26.3
147.11685	17.1
149.09634	5.1
149.13257	24.4
150.13553	0.4
151.11166	4.6
157.10129	0.9
159.11693	20.3
161.13243	4.5
163.11203	1.5
163.14819	0.9
165.12747	0.7
171.11707	1.7
172.12424	0.7
173.13268	17.3
175.14827	3.0
177.12663	2.0
187.14807	8.3
189.16388	4.5
191.14268	1.5
205.15916	1.1
205.19507	3.3
213.16335	0.5
215.17952	69.7
216.18294	1.7
233.15259	3.3
233.19003	100.0
234.19402	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	233.1899
Annotation	Gibbilimbol A
Peak:m/z	Relative Intensity
53.03946	2.7
54.40569	1.0
55.05512	14.4
57.07072	1.3
58.97524	1.1
67.05505	39.3
68.01330	1.3
69.07061	9.6
70.56828	3.5
71.04982	1.9
78.39224	1.0
79.05495	66.6
81.06592	2.1
81.07056	33.0
81.54194	1.2
83.08619	11.3
83.12656	1.1
91.05482	39.3
93.07048	63.0
95.04984	2.9
95.08617	31.5
97.06543	7.0
97.10156	2.1
99.08069	3.6
105.07034	19.8
107.08592	36.1
109.06506	2.8
109.10151	9.4
110.32940	1.1
111.08080	4.5
113.09632	1.5
117.07020	6.1
119.08598	20.4
121.10146	84.6
123.08081	1.8
123.11700	2.4
125.09675	1.7
129.06973	1.1
130.87997	1.2
131.08562	13.8
133.10130	48.3
135.08134	1.6
135.10703	2.2
135.11688	32.4
137.09610	8.9
145.10120	19.3
147.11696	16.3
149.09631	2.2
149.13237	6.7
151.11186	6.7
159.11691	9.9
161.13292	2.4
161.22836	1.2
173.13278	8.4
187.14828	5.2
189.16394	1.9
215.17967	38.3
224.87910	1.1
233.15289	4.6
233.19014	100.0
234.19388	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.19
Annotation	Gibbilimbol A
Peak:m/z	Relative Intensity
53.03939	4.1
55.01859	5.2
55.05510	13.8
57.07065	3.8
58.06585	2.8
59.04991	2.1
59.34980	1.6
62.63573	1.6
64.35078	1.8
65.03927	2.4
66.75076	1.5
67.05505	20.0
69.03429	12.4
69.06739	1.8
69.07071	27.5
69.87984	9.9
71.04988	21.7
71.08630	1.5
79.05492	22.5
81.03426	8.5
81.06607	1.9
81.07056	30.4
83.04966	4.6
83.08607	5.1
85.02909	3.8
85.06544	4.1
86.63774	1.9
91.05481	31.2
93.06486	2.9
93.07046	44.2
95.04951	7.3
95.08607	45.3
97.02871	2.5
97.06547	13.2
97.10144	4.6
103.05457	2.4
105.07034	61.6
107.04934	7.7
107.08594	53.0
109.02867	1.9
109.06495	7.9
109.10157	15.1
111.04388	2.7
111.08051	6.4
117.06998	12.1
119.04917	5.9
119.08588	59.1
121.05716	2.1
121.06470	9.4
121.09332	2.6
121.10141	28.6
123.08094	9.2
123.11717	14.5
125.09611	7.4
125.16301	1.8
127.65935	1.8
128.06227	1.6
129.07025	3.5
130.07764	1.9
131.01895	2.1
131.04897	3.1
131.08553	16.6
133.06464	3.3
133.10133	21.0
135.08081	12.0
135.11678	19.6
137.05994	11.2
137.09628	9.4
139.11166	4.7
141.06969	2.8
143.08530	3.4
144.02574	1.7
145.06448	4.4
145.10141	21.1
146.10896	2.1
147.04419	3.2
147.08043	5.9
147.11691	71.6
149.05946	5.3
149.09602	6.4
149.13264	23.4
150.05255	3.4
151.03912	2.0
151.11162	3.0
157.10103	5.5
158.07327	2.0
159.05814	2.4
159.08043	2.7
159.11703	27.6
161.05963	3.9
161.09576	2.7
161.13251	38.0
163.07570	12.6
163.11218	10.3
163.14801	7.1
169.10095	2.1
173.09648	4.5
173.13260	18.0
175.07518	2.9
175.11185	4.1
175.14821	10.5
177.05472	4.9
177.09081	5.2
177.12721	4.2
187.11227	3.8
187.14799	6.5
189.09093	5.5
189.12804	4.1
191.03351	5.3
191.06976	6.9
191.10681	9.3
191.14336	7.0
197.13243	1.8
205.12256	6.4
215.10733	4.4
215.14299	6.2
215.17934	33.1
218.10886	6.2
233.08293	8.3
233.11617	45.3
233.15407	46.0
233.18990	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1539
Annotation	Hypacrone
Peak:m/z	Relative Intensity
53.03941	2.6
54.25089	0.6
55.01870	0.9
55.05521	3.9
55.82618	0.5
57.07063	2.1
59.04995	0.6
67.05515	3.8
69.03436	6.0
69.07070	3.0
69.18246	6.1
71.04988	2.6
78.13620	0.5
79.05502	43.7
81.07057	5.4
83.04980	2.3
83.08616	4.6
85.02952	0.8
85.06548	3.5
91.05493	6.5
93.07056	7.0
95.04967	4.2
95.08620	3.3
97.06533	4.3
102.02398	0.6
105.04542	1.3
105.07041	11.8
107.04964	45.0
107.08599	12.9
109.06539	3.7
109.10175	0.9
111.08099	3.6
113.06031	1.8
115.05486	0.8
117.07023	4.2
119.04952	0.8
119.07832	0.5
119.08595	12.5
121.06522	4.1
121.10141	6.6
123.08059	1.4
125.09596	3.4
129.07018	1.4
130.07799	0.8
131.04825	0.7
131.08577	10.1
133.10153	8.4
135.08063	2.9
135.11700	1.4
137.06000	3.6
137.06920	0.7
137.09644	4.2
142.07745	0.8
143.08571	1.9
145.06508	1.5
145.10132	13.2
146.10896	0.8
147.08054	13.0
147.11703	12.2
149.05994	1.4
149.09650	8.3
149.13293	3.1
151.03905	1.6
153.09149	1.0
156.09314	1.1
157.10135	6.0
158.10907	1.4
159.08051	1.9
159.11700	3.6
160.08847	1.9
161.09615	0.9
161.13234	0.9
161.49629	0.6
163.07571	1.2
163.11198	4.2
163.14870	0.8
171.11711	2.2
172.12460	1.1
173.09601	1.8
173.13264	9.0
175.11200	16.7
175.14619	0.6
177.05472	1.5
177.09079	1.2
179.03421	1.0
182.10977	0.8
187.14815	4.1
189.09201	1.1
189.12747	5.4
190.13445	0.8
191.03429	2.8
191.07074	1.0
191.14328	53.9
192.14743	0.7
197.13277	1.8
205.15932	0.7
215.10875	0.8
215.14372	6.6
215.17934	1.6
233.08090	2.8
233.11601	2.5
233.15387	100.0
233.19113	2.8
234.15715	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1537
Annotation	trans-Pentadec-10-en-6,8-diynoic acid
Peak:m/z	Relative Intensity
53.03935	2.7
55.01863	2.2
55.05511	7.8
56.96556	1.2
57.07059	2.1
65.03943	1.5
67.05511	16.9
69.03413	2.0
69.07072	7.2
69.90833	5.5
71.05004	7.5
73.02939	1.7
79.05082	1.7
79.05499	26.8
81.07061	44.5
83.04953	1.8
83.08595	4.1
91.05485	22.8
93.06132	1.2
93.07050	27.4
95.04985	8.8
95.08614	36.4
97.06521	6.8
97.10164	1.8
103.05443	2.5
105.07035	41.1
107.04968	11.2
107.08598	26.1
109.06522	30.9
109.10181	8.3
111.08061	3.4
115.05451	6.1
117.07028	10.5
119.04971	1.1
119.08603	21.4
121.06506	7.5
121.10133	9.4
123.08076	2.8
123.11675	1.9
125.09660	1.1
129.07007	2.6
130.07788	3.3
131.08575	36.3
133.06468	3.3
133.10138	13.0
134.10876	1.4
135.04448	3.1
135.08060	5.1
135.11693	4.7
137.05969	4.9
137.09613	1.9
139.07533	5.6
141.06998	1.4
143.08525	4.3
145.06454	2.9
145.10136	46.2
147.08035	1.9
147.11696	8.7
149.05968	3.3
149.09587	4.0
149.13217	1.7
151.07506	2.6
155.08543	3.1
157.10100	4.2
159.08067	6.0
159.10474	1.8
159.11707	25.0
161.05972	7.9
161.13272	13.6
162.15462	1.2
163.03854	4.5
163.07541	3.4
163.11150	1.6
163.14900	1.6
165.09189	1.6
167.08679	1.2
169.10132	2.9
169.75974	1.3
171.11650	1.7
172.12445	1.3
173.09641	4.6
173.13266	6.5
174.06737	1.5
175.11172	4.2
177.05527	4.5
177.09113	9.5
178.06282	3.8
182.10913	3.7
187.03856	2.1
187.11230	4.1
187.14825	100.0
188.15112	1.5
189.12662	2.4
189.16405	1.8
191.03418	14.6
191.07051	2.1
191.10625	1.7
191.14320	11.5
193.87660	1.4
195.01640	1.2
197.13206	8.9
205.15884	4.6
215.10994	1.3
215.14308	31.2
215.17793	2.5
233.04364	2.2
233.08064	5.8
233.11996	5.5
233.15375	96.9
233.18752	9.3
233.22690	3.7
234.15726	1.7
246.02437	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1538
Annotation	CHEBI:69963
Peak:m/z	Relative Intensity
53.03937	2.5
55.01866	2.1
55.05509	10.5
57.07063	2.1
64.54951	0.8
65.03941	1.0
67.05519	4.4
69.03424	3.9
69.07065	13.5
69.87498	1.8
69.87917	3.1
71.04997	4.6
77.03878	1.1
79.05495	36.3
81.07061	15.0
83.04974	2.0
83.08620	9.9
84.60207	0.8
91.05476	13.5
93.07049	14.6
95.04984	6.3
95.08614	7.7
97.06540	6.9
97.10184	3.8
99.08076	1.3
103.05476	2.0
105.04509	0.9
105.06390	1.4
105.07031	13.6
107.04958	32.1
107.08594	31.9
109.06525	8.9
109.10171	3.8
111.08083	4.2
115.05434	1.1
117.07009	4.3
119.04903	1.1
119.08582	15.6
121.05672	1.6
121.06508	24.0
121.10151	10.7
123.04468	1.0
123.08121	2.0
123.11707	1.7
125.05988	7.5
125.09638	3.4
129.06992	1.9
130.07788	3.0
131.04886	1.3
131.08585	8.0
133.06509	1.3
133.10114	9.4
135.08054	5.6
135.11690	4.2
135.29642	0.9
137.05974	8.9
139.07542	2.6
141.07014	1.0
142.07777	1.0
143.08536	2.0
144.09270	1.0
145.06467	1.1
145.10124	18.0
147.08014	1.0
147.11673	6.4
148.08771	0.8
149.05994	3.0
149.09624	5.2
149.13264	2.3
151.03888	3.0
157.10120	2.4
158.10930	1.5
159.08066	3.1
159.11690	5.9
160.08725	1.0
161.05908	0.9
161.09682	1.1
161.13286	3.8
163.07558	22.1
163.11232	4.6
163.14813	3.4
165.09093	1.7
169.10158	2.2
171.11612	0.9
173.09634	14.1
173.13246	7.1
175.11201	8.7
177.05482	1.5
177.09096	1.9
179.03329	1.0
182.10999	1.8
182.25082	0.9
187.11186	0.9
187.14825	9.9
189.12714	2.0
189.16367	1.4
191.03459	4.2
191.07028	1.3
191.10619	6.3
191.14317	26.6
192.14532	0.8
197.13303	5.6
205.08592	1.2
205.15915	3.9
215.14302	10.9
215.17798	4.1
233.08131	8.1
233.11919	8.6
233.15370	100.0
233.18692	5.0
234.15701	1.7
251.16463	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	233.1536
Annotation	trans-Pentadec-10-en-6,8-diynoic acid
Peak:m/z	Relative Intensity
50.46481	0.9
53.03940	2.3
55.01859	2.0
55.05503	4.3
56.39807	1.0
57.03429	1.2
57.07059	2.5
59.05004	1.3
65.03941	1.3
65.88062	1.3
67.05508	11.4
69.03439	16.3
69.07061	7.3
70.73816	3.7
71.04991	3.9
77.03915	1.1
79.05499	19.9
81.03397	1.8
81.07063	14.8
83.04984	2.6
83.08617	2.0
85.06534	4.2
87.92142	1.2
91.05479	22.6
93.07060	15.1
95.04971	32.2
95.08616	9.9
97.06534	9.5
99.30303	1.2
103.05434	3.4
105.07027	19.5
107.04972	12.9
107.08592	18.0
109.02882	2.1
109.06509	10.0
109.10181	8.9
111.04457	2.1
111.08084	2.5
115.05434	1.6
117.07012	7.2
119.04951	1.7
119.08587	100.0
121.06509	8.8
121.10168	9.0
122.99178	1.2
123.08062	2.3
123.11710	5.3
125.09674	2.2
128.06206	1.5
129.07004	3.2
130.07814	2.2
131.04903	1.4
131.08562	20.3
133.06514	8.3
133.10126	11.6
135.08032	5.5
135.11696	1.7
137.05956	6.6
137.09636	1.7
141.06990	2.4
142.07790	1.6
143.08537	5.3
144.09358	1.7
145.06419	2.7
145.10112	21.5
147.08034	2.7
147.11707	7.3
149.06053	1.8
149.09598	13.1
149.13280	1.5
151.03914	2.4
151.11189	1.7
155.08548	4.4
156.09348	4.2
157.10123	8.8
158.10892	2.7
159.08095	6.8
159.11699	8.4
163.07442	1.9
163.11086	3.1
167.08559	4.8
169.10127	3.1
171.11690	5.7
173.09581	6.4
173.13300	13.1
175.11183	4.8
177.05544	2.0
177.09131	3.5
182.10904	8.3
187.11214	2.8
187.14857	11.8
189.12756	9.7
191.03426	14.3
191.14284	12.2
197.13220	10.4
200.12083	1.7
205.15877	1.7
215.14313	19.6
215.17880	2.8
233.04381	2.0
233.08047	8.9
233.11635	5.5
233.15367	79.3
233.18765	6.2
233.22942	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	233.1533
Annotation	CHEBI:69963
Peak:m/z	Relative Intensity
53.03957	4.2
55.01873	3.4
55.05507	22.4
57.07080	3.5
65.03933	2.6
67.05505	14.3
69.03400	3.1
69.07069	34.3
69.29846	9.2
69.30268	5.7
69.80590	1.8
69.92825	1.9
77.03975	1.8
79.05492	41.8
79.45551	1.7
81.07052	40.1
83.04936	2.3
83.08614	14.6
91.05473	31.5
93.06484	3.5
93.07040	46.2
95.04958	6.4
95.08608	26.2
97.06519	7.6
97.10161	11.4
99.08092	2.0
103.05445	3.1
105.07039	29.1
105.43554	1.8
107.04964	20.5
107.08590	92.3
109.06509	16.2
109.10151	9.6
111.08047	2.1
115.05470	4.0
116.51727	1.8
117.07038	10.3
117.07907	1.6
119.08578	32.6
121.05676	2.9
121.06497	39.3
121.10146	34.5
125.05990	20.8
129.06952	2.3
130.07782	5.8
131.04910	2.6
131.08578	12.4
131.09392	2.0
133.10139	18.7
135.08028	12.1
135.11723	11.3
137.05991	15.9
139.07527	5.4
143.08569	3.5
145.06445	4.3
145.10123	44.6
147.08034	3.0
147.11697	11.1
149.05978	6.5
149.09596	9.6
149.13246	3.9
151.07542	3.6
155.08545	4.1
157.10135	4.2
157.24760	1.9
159.08011	5.6
159.11720	10.5
161.13243	16.0
163.07549	90.2
163.11197	9.7
163.14775	9.9
165.09114	6.7
172.12480	3.2
173.09641	31.0
173.13292	7.9
177.05495	2.5
177.09091	8.8
177.16412	4.5
182.10944	3.8
187.14801	20.2
189.12837	2.1
189.16420	2.1
191.10672	13.9
191.14308	3.4
197.13287	12.2
205.15878	11.5
215.14325	20.3
215.17935	8.2
233.08089	13.2
233.11584	4.2
233.13660	3.8
233.15369	100.0
233.18913	18.9
244.40486	2.0
251.16422	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1535
Annotation	Helisplendiolide
Peak:m/z	Relative Intensity
53.03930	1.6
55.05518	7.6
56.53925	1.1
57.07061	4.7
57.42690	1.0
59.05002	1.2
62.98898	1.1
65.03922	1.2
67.05505	2.5
69.07069	24.3
69.37514	9.7
71.08617	1.9
79.05489	19.1
81.07050	11.6
83.08624	10.8
91.05486	24.3
93.07045	30.4
95.04959	2.6
95.08604	11.0
97.06535	2.2
97.10148	3.8
98.20704	2.0
103.05469	1.7
105.07039	16.0
107.04950	7.5
107.08598	100.0
109.06508	5.4
109.10155	5.1
115.05474	6.2
116.06281	2.0
117.07032	8.9
119.05976	1.5
119.08594	12.8
121.06521	15.0
121.10148	43.0
123.08086	2.7
125.05987	3.4
129.06996	1.4
130.07739	1.7
131.08578	27.7
133.10109	4.6
135.08060	39.3
135.11688	21.2
137.05959	2.9
143.08560	2.1
145.10129	13.9
147.08083	1.7
147.11681	2.3
147.36880	1.2
149.09625	37.9
149.13199	2.9
157.10112	1.8
159.08041	1.7
159.11661	2.5
161.13284	4.7
163.07550	25.7
163.11137	2.8
163.14832	83.3
165.09181	1.3
173.09607	6.2
177.09164	1.4
177.16356	9.3
181.55191	1.1
187.14819	5.4
191.10631	3.6
197.13205	1.9
205.15889	61.4
215.14297	4.8
233.15370	73.1
233.19092	2.9
234.15636	1.7
251.16457	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	233.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.6
55.01887	2.5
65.03930	1.2
65.41505	0.4
67.05518	2.2
69.03407	0.6
69.07072	34.2
69.73462	2.2
70.37907	0.4
75.21342	0.4
77.32131	0.4
79.05497	6.4
81.07047	1.2
91.05488	35.3
92.05799	0.4
97.06537	25.1
107.04958	1.3
109.06506	1.4
119.04949	19.5
119.05803	1.0
121.06512	0.9
135.04428	0.8
136.05193	1.7
136.36040	0.4
137.05984	100.0
138.06290	1.0
149.06007	0.7
163.03908	2.8
164.01883	0.4
166.04619	0.5
173.05975	0.6
189.09093	0.5
215.10678	1.1
233.08176	0.6
233.11752	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	233.0423
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06591	15.7
59.07380	19.2
70.98529	30.1
71.86098	10.2
72.35030	11.4
85.33508	14.0
101.00873	48.7
119.01907	46.8
133.03484	18.8
138.56833	100.0
138.57796	14.8
139.06949	23.6
143.01889	63.1
145.03494	30.5
155.01923	13.2
161.02980	60.5
173.02974	13.8
233.06436	78.6
251.02391	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	233.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.4
55.01872	2.8
56.48166	0.4
57.03434	0.6
57.10732	0.4
65.03935	1.4
67.05505	2.6
68.61709	0.4
69.03423	0.5
69.07072	25.9
69.77995	1.8
69.78397	0.9
79.04184	0.3
79.05498	9.8
81.07053	1.0
84.63560	0.4
91.05487	41.4
93.07059	0.5
94.19294	0.4
95.04971	0.7
95.76939	0.5
97.06535	35.0
98.06874	0.4
107.04967	1.3
109.06535	2.0
112.37038	0.4
119.04951	23.1
121.06508	1.8
135.04465	1.4
136.05208	1.8
137.05984	100.0
138.06313	1.2
145.06477	0.5
147.04427	1.7
149.05995	1.7
163.03961	2.4
163.05179	0.6
173.06058	0.5
189.09140	1.2
191.06941	0.6
215.10712	0.9
233.08276	0.7
233.11757	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1745
Annotation	(1S)-7-Methoxy-1,2-dihydrocadalene
Peak:m/z	Relative Intensity
53.03955	3.2
55.05513	11.2
63.99209	1.6
67.05517	16.0
69.03415	2.6
69.07070	11.8
70.20177	4.9
71.05002	7.2
79.05493	10.6
81.07063	32.4
83.04992	2.4
83.08606	3.8
85.06539	7.5
91.05479	19.2
93.07057	19.3
95.04944	3.0
95.08611	36.4
97.06510	2.7
98.98457	2.8
103.05440	2.1
105.04510	1.7
105.07038	100.0
107.08595	25.2
109.06516	4.7
109.10171	15.0
111.08064	3.1
117.07029	6.3
119.07806	2.7
119.08594	31.3
121.06512	22.1
121.10139	18.2
123.08083	5.7
123.11705	5.8
128.06201	6.6
129.06999	10.2
130.07739	1.6
131.08583	18.8
133.10147	21.7
135.08047	5.5
135.11711	4.3
137.09612	2.8
138.98904	1.4
139.11162	3.0
141.06963	3.7
142.07791	15.4
143.08568	35.0
144.09329	1.9
145.10136	22.0
147.04329	1.9
147.08061	2.9
147.11685	17.3
149.09613	3.5
149.13303	2.1
151.11201	2.7
156.09332	7.1
157.10139	79.0
158.10675	2.1
159.11681	12.0
160.12355	1.5
161.09605	5.4
161.13229	9.4
163.11121	3.6
169.10010	2.7
171.10272	3.1
171.11705	46.8
173.13264	20.2
175.11185	21.4
175.14796	3.2
176.94179	1.4
183.11656	2.4
185.13254	6.6
187.14827	12.2
189.12764	4.4
189.16405	9.9
198.14046	3.2
203.17917	11.8
213.16391	73.1
231.06367	1.9
231.10124	3.7
231.13808	5.7
231.17458	89.5
231.21080	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	233.0423
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28945	4.9
59.46957	5.2
70.09881	16.9
78.95631	10.5
93.80818	4.8
94.93022	21.1
101.00940	5.4
132.13106	5.3
143.01904	9.2
161.02901	7.4
165.77602	4.9
176.03317	4.7
190.91176	7.6
232.92419	7.8
233.06313	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20792	1.2
53.03952	2.1
55.05520	7.5
56.48887	1.4
57.03419	1.6
65.03902	1.4
67.05512	11.6
69.03426	3.3
69.07053	6.3
70.32378	3.6
71.04987	2.6
75.85183	1.6
79.05507	10.2
80.27157	1.2
81.07067	27.5
82.79752	1.5
83.08609	2.7
85.06565	7.4
85.06965	1.3
89.59846	1.3
91.05484	13.3
93.06575	1.6
93.07060	19.7
95.04959	6.2
95.08616	26.4
97.06519	1.7
97.10181	1.3
105.07039	42.7
105.37521	1.5
107.08603	23.9
109.06522	5.1
109.10174	12.7
111.08074	3.4
113.96523	1.5
115.05479	1.8
117.07016	7.3
119.07800	2.4
119.08593	27.0
121.06544	7.1
121.07280	1.5
121.10163	12.2
123.08044	3.9
123.11752	3.0
125.09648	2.3
128.06223	3.5
129.07027	7.1
130.07701	1.2
131.08598	16.6
133.06506	1.7
133.10141	19.0
135.08073	7.0
135.11690	2.0
137.09593	3.2
141.07036	4.5
142.07767	12.4
143.08572	24.7
144.09315	2.1
145.10150	21.8
147.08038	3.1
147.11694	16.7
149.09592	2.7
151.11293	1.9
156.09355	12.0
157.10147	47.8
159.11719	24.9
161.09621	5.1
161.13304	6.7
169.10152	3.7
171.11696	49.1
173.13280	13.8
175.11197	11.8
175.14871	3.4
183.11667	1.8
185.13272	4.5
187.14857	11.9
189.12752	4.4
189.16359	5.4
192.26460	1.4
198.14003	1.9
201.16492	2.3
203.17944	18.5
213.16396	71.0
231.13902	2.6
231.17456	100.0
232.17804	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.2
55.05513	11.2
63.99209	1.6
67.05517	16.0
69.03415	2.6
69.07070	11.8
70.20177	4.9
71.05002	7.2
79.05493	10.6
81.07063	32.4
83.04992	2.4
83.08606	3.8
85.06539	7.5
91.05479	19.2
93.07057	19.3
95.04944	3.0
95.08611	36.4
97.06510	2.7
98.98457	2.8
103.05440	2.1
105.04510	1.7
105.07038	100.0
107.08595	25.2
109.06516	4.7
109.10171	15.0
111.08064	3.1
117.07029	6.3
119.07806	2.7
119.08594	31.3
121.06512	22.1
121.10139	18.2
123.08083	5.7
123.11705	5.8
128.06201	6.6
129.06999	10.2
130.07739	1.6
131.08583	18.8
133.10147	21.7
135.08047	5.5
135.11711	4.3
137.09612	2.8
138.98904	1.4
139.11162	3.0
141.06963	3.7
142.07791	15.4
143.08568	35.0
144.09329	1.9
145.10136	22.0
147.04329	1.9
147.08061	2.9
147.11685	17.3
149.09613	3.5
149.13303	2.1
151.11201	2.7
156.09332	7.1
157.10139	79.0
158.10675	2.1
159.11681	12.0
160.12355	1.5
161.09605	5.4
161.13229	9.4
163.11121	3.6
169.10010	2.7
171.10272	3.1
171.11705	46.8
173.13264	20.2
175.11185	21.4
175.14796	3.2
176.94179	1.4
183.11656	2.4
185.13254	6.6
187.14827	12.2
189.12764	4.4
189.16405	9.9
198.14046	3.2
203.17917	11.8
213.16391	73.1
231.06367	1.9
231.10124	3.7
231.13808	5.7
231.17458	89.5
231.21080	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	231.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	13.9
55.01865	2.5
55.05502	3.7
57.03428	4.2
57.07067	2.4
61.02926	2.1
62.61420	1.0
67.05495	5.0
68.99780	3.3
69.03432	100.0
69.07058	3.8
70.74891	1.3
70.75233	2.0
71.04992	10.7
71.08631	1.2
73.12618	1.1
79.05485	4.6
81.03423	52.8
81.07057	10.2
83.01331	2.1
85.02909	45.8
87.00829	24.9
91.05479	9.3
93.07053	8.8
95.04951	1.7
95.08611	9.7
97.02893	21.6
99.04463	21.3
105.01881	2.6
105.07039	20.0
107.08583	8.1
109.02885	18.2
109.06500	1.3
109.10138	4.6
111.00793	2.0
115.05420	1.8
117.07011	3.3
119.07952	1.1
119.08596	12.2
121.06505	6.7
121.10126	3.6
123.11660	3.0
127.03926	26.6
128.06190	2.0
129.07001	2.7
131.08562	5.0
133.10098	7.0
135.08029	2.4
135.11673	2.8
142.07759	3.2
143.08556	4.4
145.04948	2.9
145.10103	5.6
147.04378	1.6
147.08075	1.6
147.11690	17.4
148.12447	1.9
149.13286	1.9
156.09305	1.9
157.10138	7.7
159.11696	3.5
161.06032	2.6
161.09654	2.0
161.13206	3.6
170.10942	1.1
171.11687	6.1
173.13278	4.7
174.07869	9.6
174.18535	4.8
175.11189	2.9
175.14848	2.5
185.13284	3.2
187.14799	3.3
188.15277	1.1
203.14262	1.7
203.17799	1.5
213.03978	4.4
213.12727	2.1
213.16382	7.7
230.24817	6.8
231.04904	7.9
231.10132	1.5
231.14897	24.3
231.17432	13.6
231.21140	5.5
231.25119	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	231.05
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	11.6
53.30548	1.0
53.72550	1.2
55.01859	2.5
55.05502	2.9
57.03426	3.9
57.07067	2.6
59.83611	1.0
67.05489	3.0
68.99778	3.0
69.03432	100.0
69.07056	3.2
69.45625	4.9
69.46030	2.0
71.04991	8.6
75.44482	1.0
78.41163	1.0
79.05487	2.6
80.67104	1.1
81.03422	42.1
81.07077	5.6
83.01324	1.7
83.08617	1.8
84.99366	1.0
85.02907	41.4
87.00837	20.8
87.04467	1.0
91.05495	5.2
93.07045	4.8
95.08614	6.0
97.02896	14.8
99.04461	23.1
105.01865	2.0
105.07026	9.1
107.08598	5.3
109.02887	15.4
109.10153	4.7
119.08570	6.4
121.02804	1.4
121.06536	2.3
121.10116	4.5
123.11679	2.1
127.03922	36.4
129.07047	1.8
131.08556	3.4
133.06514	1.2
133.10126	4.4
135.08066	1.3
135.11702	1.9
143.08577	3.7
145.04936	3.1
145.10103	2.9
147.11697	4.5
149.13210	1.9
156.09381	1.6
157.10138	5.8
161.13254	3.0
171.11687	4.1
173.13292	2.2
175.01547	1.5
175.14894	4.9
182.28380	1.2
185.13255	1.1
187.14848	2.3
213.03934	3.6
213.16338	4.6
216.04184	5.4
231.04729	6.5
231.10139	1.8
231.13902	2.5
231.17493	11.6
231.21039	9.3
248.82137	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.0
54.01241	1.3
55.01875	2.9
55.05519	1.5
56.96278	1.3
56.96564	37.3
58.06610	1.3
58.99849	1.5
67.05504	4.3
68.98296	2.6
69.03432	5.1
69.86926	2.2
69.87319	3.3
70.06584	5.1
70.99858	1.8
71.04993	2.4
71.95267	1.9
72.05233	1.4
72.08146	3.4
73.01440	1.3
73.02921	2.1
73.06556	3.0
73.14609	1.4
74.93163	1.5
74.97626	1.8
76.67823	1.3
77.00907	3.3
79.05495	2.3
81.03416	3.6
81.07076	4.2
82.06592	2.0
82.99812	6.6
83.04990	1.5
84.04510	3.9
84.08169	6.5
84.96044	6.6
85.01405	7.4
85.02915	6.9
85.06535	2.0
86.03291	1.4
86.09707	2.6
86.99325	2.0
91.02448	2.5
95.04956	1.7
97.02862	3.6
98.97588	33.3
98.98512	2.6
99.04466	3.0
101.00887	42.8
103.00653	4.4
103.02443	15.4
107.04953	2.1
109.02831	1.6
110.97608	3.6
112.07592	4.5
112.99145	2.9
113.00875	3.7
115.00700	2.0
115.02436	4.8
116.98624	13.9
117.04004	8.9
119.01928	96.7
120.02050	2.9
121.01672	7.1
121.03530	7.2
121.06529	3.5
124.99137	7.7
125.48122	1.2
127.02419	5.5
128.98627	6.1
129.00348	4.8
129.07045	2.0
129.10255	2.4
130.08635	1.9
131.00206	6.8
131.01904	9.0
133.01675	2.7
133.03473	13.1
134.99678	5.0
135.05051	6.4
137.02982	12.5
137.05994	7.8
138.06320	1.8
139.02451	4.0
141.02240	2.8
141.04007	1.6
141.92015	1.3
142.03557	1.9
143.00171	16.7
143.01883	12.3
144.98131	1.8
145.03476	46.7
146.99664	5.2
147.01398	24.6
147.03215	1.5
148.01416	1.4
149.01231	8.7
149.02979	4.4
151.04507	1.3
155.01938	3.4
156.03305	9.5
157.03481	13.0
158.99675	5.2
159.01418	1.8
159.03270	4.2
159.05043	8.0
161.01256	14.2
161.02974	40.3
162.99161	1.3
163.02635	1.3
163.03052	1.5
163.04543	18.2
165.02473	5.7
167.00214	1.4
167.02118	3.9
168.03351	2.0
170.91388	1.2
170.99640	4.3
171.01387	28.3
171.05074	3.2
173.02989	7.3
174.04443	10.6
175.04565	3.7
177.00703	3.1
177.06096	2.1
177.55782	1.3
179.02237	3.5
179.03889	2.8
180.05135	2.3
183.03529	1.9
185.01184	4.2
185.02942	23.1
185.06587	4.3
186.04434	13.4
187.02847	3.2
187.04546	5.1
187.10751	1.5
188.92471	2.8
189.00766	7.1
189.02449	100.0
189.06096	5.4
190.05766	1.4
191.03960	2.0
194.15329	1.4
198.56503	1.4
200.04759	1.5
200.08383	1.5
201.02414	2.2
203.02223	5.6
203.04030	9.5
203.07664	4.6
204.05444	8.3
205.03740	1.6
205.05530	3.6
207.01727	2.2
207.03474	16.8
207.05151	1.8
208.04561	18.2
208.08098	1.5
208.99681	1.4
212.04089	2.3
213.02388	2.0
213.07918	3.7
219.03545	4.1
221.03247	2.6
223.02881	1.9
226.06071	3.9
231.01691	4.1
231.03554	22.8
231.06804	2.4
231.12231	1.9
244.07358	3.8
248.99149	2.6
249.02753	5.9
249.04642	4.4
250.70560	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.9903
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	9.8
56.11506	12.3
66.95876	10.4
69.82504	58.5
70.06580	45.4
71.06931	15.0
98.21534	13.6
103.00675	14.1
116.07124	12.5
119.01910	15.4
121.01648	13.4
142.08623	21.1
143.08995	26.2
161.02847	14.1
174.51733	11.3
175.61652	10.6
197.69730	10.7
230.15862	100.0
231.04688	13.6
231.16058	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1177
Annotation	Terbutylazine
Peak:m/z	Relative Intensity
55.01854	0.6
67.39104	0.2
69.03447	0.9
70.77997	0.4
71.04976	0.2
72.21915	0.2
75.45407	0.2
76.41893	0.2
80.61436	0.2
81.03412	0.4
82.02908	0.4
83.45411	0.2
85.02887	0.3
86.54079	0.2
88.03954	0.3
89.55234	0.2
91.05437	0.2
91.15086	0.2
96.50639	0.2
97.02883	0.3
97.06512	0.7
100.03966	0.6
113.96364	0.3
116.10611	0.2
123.26094	0.2
128.03452	1.9
134.43303	0.3
142.07350	0.2
146.04462	0.5
159.06784	0.3
160.07684	0.2
167.08536	0.5
170.06815	0.4
171.04332	0.4
173.05984	0.2
173.08443	0.2
174.06760	0.3
183.06856	0.5
184.05203	5.3
184.07632	0.3
185.05919	0.4
186.05508	4.1
188.07036	0.2
195.07983	0.3
198.06511	0.5
200.07095	2.5
201.07857	29.0
202.08340	0.3
202.12221	0.4
205.03166	0.2
213.09128	8.3
215.09441	0.4
230.11774	100.0
231.12073	1.1
246.57761	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1176
Annotation	Trietazine
Peak:m/z	Relative Intensity
53.71554	0.3
56.28932	0.3
56.96552	0.5
58.38319	0.3
65.01958	0.3
66.02631	0.4
67.44923	0.3
70.06591	0.5
71.06450	0.8
82.20009	0.3
111.70660	0.3
113.96410	0.4
116.98586	0.5
130.06538	0.7
153.63858	0.4
156.08105	2.0
173.08295	0.7
174.09183	0.5
184.07600	2.9
184.11264	1.1
200.07060	3.3
201.07846	79.0
202.08629	18.6
202.12202	1.7
212.10730	1.5
214.08557	0.6
230.11757	100.0
231.12108	1.3
246.72807	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1176
Annotation	Trietazine
Peak:m/z	Relative Intensity
69.03422	1.3
70.95280	1.1
72.08133	0.7
72.93788	0.5
79.05532	0.5
81.03409	0.9
86.09700	1.1
91.05492	0.6
94.74794	0.5
94.99785	0.4
98.37819	0.4
103.05550	0.5
105.07009	0.7
113.96422	0.5
117.07030	0.8
118.06485	1.0
129.07045	0.6
130.06525	20.9
130.07498	1.1
131.07335	4.1
132.08093	1.3
132.09499	0.4
142.07788	0.5
142.39751	0.5
144.05701	0.6
144.08087	5.0
145.06451	1.0
145.08882	9.9
145.10010	0.9
146.09622	1.1
147.10526	0.5
147.56558	0.5
154.06522	1.0
155.07344	0.7
156.08119	1.5
158.06050	1.7
158.09647	7.5
159.10420	9.2
160.07582	0.8
160.11195	1.6
168.08131	1.0
169.08926	1.5
172.07555	4.8
172.86494	0.5
173.08357	16.0
173.09633	1.5
174.09122	2.5
174.12755	2.2
183.06792	1.0
184.07567	3.4
184.11189	2.9
185.09625	0.6
186.09077	0.8
186.14870	0.8
187.09888	5.3
197.08347	1.4
197.39581	0.4
200.07085	1.1
201.07831	10.4
202.12262	42.3
203.12682	0.5
212.10771	1.8
214.58679	0.5
230.11765	100.0
231.12010	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50489	0.3
56.96566	22.4
69.07069	0.3
70.06588	0.9
70.18553	0.7
71.06941	0.5
71.22964	0.3
71.95266	2.7
72.96049	1.6
82.99821	0.3
83.97640	1.6
84.96037	0.7
86.09690	2.5
98.97586	100.0
101.00861	0.9
102.00973	0.5
115.07267	0.2
116.00216	1.9
116.98622	35.7
119.01902	0.5
120.02039	0.9
121.06508	0.5
126.02278	0.6
129.02245	0.4
134.01257	1.2
134.99663	6.4
140.00238	0.8
140.03824	2.2
142.05424	1.9
143.09007	0.5
153.00739	0.4
153.02240	0.4
158.04916	1.3
160.06447	2.2
169.99933	0.4
170.04907	1.3
171.03322	2.4
174.99245	0.3
176.05894	0.4
188.00893	0.4
188.05936	2.0
189.04352	5.5
202.07443	0.7
206.07036	6.4
206.09000	0.4
207.05426	1.8
212.06023	0.6
213.04173	0.4
216.00505	0.4
224.08072	4.5
230.07010	9.5
230.11937	0.4
230.15836	2.1
231.05437	0.9
243.07185	0.5
248.08072	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91167	0.5
53.03919	0.8
55.01872	0.8
55.05503	2.8
55.57764	0.5
57.03424	1.8
57.07065	2.3
67.05509	9.5
69.03416	0.6
69.07079	2.7
69.88724	2.9
70.06596	0.6
71.04984	1.5
71.06898	0.6
71.08603	0.8
79.05505	4.6
79.83643	0.5
81.03396	1.0
81.07056	15.0
83.04994	1.0
83.08614	1.7
85.02891	0.6
85.06535	0.8
89.07924	0.7
91.05478	8.6
93.07042	7.3
95.04967	1.3
95.08608	8.1
96.08932	0.7
97.02856	0.8
97.06561	0.7
98.05991	0.5
98.20848	0.6
103.05445	0.8
105.07035	10.3
107.08607	6.3
109.06512	0.8
109.09461	0.8
109.10160	7.2
115.05443	1.6
117.07027	11.0
119.08582	9.2
121.06521	3.5
121.10133	4.1
123.11697	0.7
128.06221	4.0
129.07002	9.8
130.07780	1.8
131.08571	19.4
131.89349	0.6
133.06496	1.0
133.10135	5.4
135.08058	0.9
135.11713	1.2
137.09569	0.5
141.06982	9.8
142.07755	1.6
143.08568	12.3
144.09323	2.0
145.06479	7.8
145.10129	22.0
147.08034	1.8
147.11723	2.4
149.09647	1.0
153.06964	1.0
154.07764	1.7
155.08543	10.0
156.09329	1.5
157.06538	0.7
157.10132	7.1
158.10793	0.6
159.08067	10.2
159.11702	16.7
161.09575	0.6
167.08560	1.1
168.09308	1.5
169.10127	22.5
170.10886	1.0
171.08032	0.8
171.11682	6.1
172.08853	2.1
173.05850	0.6
173.09641	10.8
173.11147	0.7
173.11853	1.0
173.13240	12.2
181.10109	1.2
182.10881	1.7
183.11710	5.9
184.28995	0.6
185.09631	1.9
185.13258	16.5
186.10422	1.5
186.13812	0.7
187.11208	11.1
187.14815	13.1
196.12540	1.4
199.11185	1.6
199.14813	1.0
201.12750	2.0
201.16389	15.1
211.14824	22.7
229.15895	100.0
229.19292	12.4
229.23447	7.1
230.11757	0.9
230.16223	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	229.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40819	0.4
58.06602	5.2
59.07379	1.4
60.08162	7.1
66.73176	0.4
68.05022	1.3
69.03400	0.4
69.87415	1.1
69.87821	0.9
70.06594	36.3
71.42282	0.4
72.08151	0.6
85.57182	0.3
96.08121	1.5
98.06020	0.5
98.21507	0.6
98.48455	0.3
98.97601	0.5
101.00883	1.6
106.07522	0.4
114.05544	3.9
114.09158	1.7
116.07121	1.1
118.08724	0.3
119.01922	2.6
124.07605	3.6
126.09140	0.6
131.01920	0.6
133.03502	0.7
142.08641	33.2
148.04845	0.4
166.90286	0.4
170.08121	1.5
175.04463	0.4
187.00879	0.6
196.59515	0.4
229.03233	1.7
229.15480	100.0
230.11687	0.9
230.15784	1.5
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	H-Pro-Leu-OH
Peak:m/z	Relative Intensity
55.01864	0.5
56.96342	0.3
56.96570	3.2
57.03412	0.5
57.62931	0.3
58.06604	6.0
59.07371	1.3
60.07896	0.5
60.08168	7.1
61.02899	0.4
68.05019	1.0
68.35641	0.3
69.68027	1.0
70.06596	36.3
72.08145	0.6
72.96088	0.3
73.02911	0.7
82.99830	0.5
85.02903	0.5
96.08135	1.6
97.02927	0.3
98.06042	0.8
98.97591	6.2
101.00890	3.9
102.00945	0.3
110.97582	0.3
113.00886	0.7
114.05529	3.5
114.09148	2.4
115.02469	0.3
116.07092	0.8
116.98640	1.8
119.01919	4.0
124.07603	3.8
126.98807	0.5
131.01859	0.8
133.03468	0.7
137.02943	0.7
142.08641	31.7
145.03464	0.8
155.29214	0.3
157.03667	0.3
168.99802	0.7
169.03687	0.4
170.08134	1.8
186.99330	0.3
187.00908	1.2
187.04503	1.1
201.06184	0.4
205.01881	0.5
206.06960	0.9
215.00323	0.9
220.04054	0.5
224.08128	0.8
229.15483	100.0
230.06987	0.6
230.15767	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	9.8
57.03440	17.5
57.07073	1.6
59.04994	4.9
65.03941	1.3
67.05508	100.0
69.07072	3.3
70.06576	1.4
70.87243	0.9
71.04989	4.0
71.49332	1.1
79.05493	3.8
81.07059	15.7
83.04970	0.9
83.08623	7.8
85.06561	3.9
89.20950	0.9
91.05488	6.0
93.07050	4.2
95.08611	7.0
103.89954	0.9
105.07037	2.4
107.08582	2.6
109.10165	82.7
109.21349	0.9
111.08100	3.5
117.07033	1.9
119.08582	7.8
120.17931	0.9
122.62885	0.9
131.08586	2.7
137.09621	4.2
143.08588	1.6
145.10114	4.7
155.10690	5.2
156.09361	1.2
159.07999	1.8
159.11700	4.4
169.10217	1.4
171.11688	3.4
173.09639	1.8
173.10150	1.7
173.11777	22.3
173.13324	2.6
185.13235	1.9
187.11115	1.7
187.14828	1.5
201.16435	1.4
211.14818	2.0
229.12242	1.9
229.14098	22.2
229.15933	5.5
229.19540	7.2
229.23503	6.7
247.27365	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.0543
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96292	1.0
56.96549	7.3
56.96804	0.5
70.54653	1.6
74.97631	0.6
87.04156	0.4
94.51501	0.4
98.97589	2.3
107.65679	0.4
109.35571	0.4
109.99178	1.0
112.07616	1.3
116.98660	0.4
138.02267	2.5
142.01758	1.0
151.88045	0.4
156.03323	95.0
168.03328	35.9
174.04393	40.1
174.05988	0.4
186.04390	100.0
192.05420	3.0
204.05443	36.5
205.05867	0.5
209.05989	1.3
222.06520	0.9
228.05432	15.0
228.23259	0.4
246.06528	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	229.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
55.05515	8.0
55.05761	0.7
57.03441	18.3
57.07080	1.6
59.05001	5.2
60.08088	0.6
65.03941	1.5
67.05508	100.0
68.05849	0.8
69.03457	0.9
69.07069	2.1
69.34147	5.3
71.04989	3.2
79.05492	2.9
81.03374	0.7
81.07056	16.9
82.78316	0.5
83.08617	6.5
85.06533	3.1
91.05486	6.6
93.01256	0.6
93.07038	4.1
95.08619	5.6
99.00861	0.6
105.07024	2.4
107.08613	3.3
109.10162	86.2
110.10483	1.2
111.08073	3.0
117.06991	1.1
117.28366	0.6
119.08595	7.7
121.10128	0.6
129.06982	1.2
131.08563	2.3
133.10045	0.8
137.09671	4.0
141.06964	1.2
142.07750	0.7
143.08481	1.4
145.06505	0.6
145.10133	2.9
155.08553	1.1
155.10632	5.6
157.10135	0.7
158.10878	0.7
159.08023	1.0
159.11702	3.5
168.09262	0.9
169.10094	2.0
171.11615	0.8
173.09608	1.1
173.11754	22.2
173.13156	1.3
183.11653	1.2
185.13190	0.7
186.14050	0.6
187.11159	0.7
187.14795	1.0
201.12697	0.8
201.16328	1.0
211.11102	1.3
211.14644	1.6
229.08478	0.7
229.12311	2.4
229.14191	27.4
229.19347	4.0
229.23505	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	227.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.3
57.03415	0.3
67.05488	0.6
69.07076	1.8
71.08627	0.8
71.17642	0.4
79.05499	1.0
81.07037	0.6
83.08617	0.7
91.05480	1.0
93.07041	0.8
95.08588	0.5
97.10156	0.4
100.11260	1.3
105.07022	1.7
107.08585	0.7
109.10158	1.2
110.88707	0.2
115.05450	0.4
116.06206	0.2
117.07060	0.5
119.08599	1.7
121.10144	0.5
125.09635	0.2
128.06209	1.4
129.06992	1.9
131.08560	1.3
133.10129	1.0
135.11694	0.2
141.06978	1.5
142.07776	12.8
143.08569	7.1
144.09258	0.2
145.10086	1.1
147.11623	0.4
155.08537	0.7
156.09352	2.7
157.10132	27.7
158.10602	0.3
159.11688	0.7
165.07011	0.2
168.40331	0.2
169.10222	0.5
170.10921	0.7
171.11697	8.7
171.13173	0.4
179.08571	0.4
180.09254	0.2
183.11703	0.4
185.13261	1.5
197.13306	0.5
209.13228	0.5
209.16542	0.4
227.17947	100.0
228.18312	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1642
Annotation	MKN-003C
Peak:m/z	Relative Intensity
52.55433	1.6
53.03937	2.3
54.18636	1.7
55.01862	2.7
55.05521	25.2
57.03439	4.6
57.07067	5.4
59.04985	5.9
65.03944	1.9
67.05494	6.1
69.03420	7.5
69.07076	19.3
71.04678	1.6
71.05004	24.5
71.48987	2.4
73.06532	2.5
78.86351	1.8
79.05518	10.4
79.05895	2.6
81.07069	16.7
82.06580	3.3
83.04960	10.1
83.08617	18.3
85.02894	2.0
85.06530	8.3
91.05476	7.9
91.58065	2.1
93.07050	26.1
95.04974	100.0
95.08630	12.6
97.06540	22.8
97.10155	5.0
99.04469	13.0
99.08096	36.0
100.09462	3.2
100.11264	36.7
105.07035	12.5
107.08598	29.7
109.06528	16.0
109.10171	10.3
110.06034	2.9
111.04446	3.6
111.08051	8.2
111.11703	2.0
115.07570	9.7
119.08562	9.2
121.10170	25.1
123.08053	3.4
123.11676	7.0
125.06010	3.0
125.09630	12.2
125.10411	2.5
127.07557	20.4
128.03195	1.7
131.08522	5.4
133.10146	36.5
135.08072	5.5
135.11688	6.3
137.09615	3.7
139.11166	13.8
141.11476	5.3
143.08559	2.6
143.10696	4.0
145.10066	3.9
147.11696	5.2
149.09621	5.0
149.13252	16.7
151.11198	7.4
153.07011	1.7
153.09122	33.7
163.14815	8.1
163.64432	2.0
165.12617	2.2
167.14307	2.3
171.10214	11.6
173.13295	14.7
182.15445	6.4
191.10669	2.6
191.14308	10.7
199.07556	2.1
199.18063	2.4
209.15225	13.4
210.14888	2.1
213.17757	5.3
227.07039	6.4
227.14200	3.5
227.16321	50.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1642
Annotation	MKN-003C
Peak:m/z	Relative Intensity
55.05511	12.8
57.03421	5.0
57.07067	3.7
59.04985	8.2
59.73849	1.9
67.05491	9.5
69.03425	5.5
69.07062	15.2
70.65036	4.6
70.65356	2.5
71.04996	22.6
79.05482	8.1
80.05101	1.9
81.07065	21.9
83.04964	7.4
83.08604	9.6
85.06529	7.4
91.05486	12.5
92.05829	3.5
93.06500	2.4
93.07054	26.8
95.04975	100.0
95.08600	20.5
97.06540	21.4
97.10188	5.6
98.97594	2.4
99.04465	19.3
99.08101	41.9
100.11266	26.2
105.07041	18.1
107.08603	27.3
109.06530	19.9
109.10162	13.8
111.08068	6.1
113.09673	2.8
115.07583	11.1
119.08579	12.0
121.10142	23.6
123.08048	3.4
123.11691	9.0
125.09641	13.6
127.07578	18.5
131.08525	5.0
132.08104	4.9
133.10146	46.6
135.08058	5.3
135.11681	8.7
137.05977	4.1
137.09575	3.6
138.06302	8.0
139.11217	15.0
145.10153	4.5
147.11748	10.4
149.13277	13.0
151.11201	4.2
153.09108	28.4
158.08537	2.0
159.09111	2.9
163.14825	8.0
167.08504	2.4
171.10173	7.3
171.11604	4.4
172.93660	2.1
173.13258	15.0
191.14328	12.9
197.51303	2.5
209.15196	15.0
226.05991	2.5
227.06987	8.3
227.10542	5.7
227.14297	3.7
227.16258	40.1
233.24620	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.128
Annotation	Chloriolide
Peak:m/z	Relative Intensity
53.03936	3.6
55.01866	2.0
55.05517	17.5
56.96571	1.9
57.03423	2.9
57.07072	1.9
64.59951	1.9
65.19367	1.9
67.05521	13.5
69.07088	9.3
71.04995	3.4
71.48914	2.2
79.05502	20.0
81.07074	18.9
83.04984	3.1
83.08620	8.3
88.32063	1.8
91.05492	11.1
91.05974	1.8
93.07057	21.8
95.04972	3.4
95.08611	27.6
97.02914	2.8
97.06528	2.3
97.10163	3.3
99.04462	2.8
100.11249	20.6
102.89843	1.8
105.07013	11.9
107.04961	6.8
107.08601	21.2
109.06554	2.0
109.10156	3.6
117.07003	7.2
119.08615	13.2
121.06519	3.2
121.10148	9.4
125.09686	3.4
128.06229	3.8
129.07008	7.7
130.07832	2.9
131.08572	8.8
133.10106	4.0
135.08018	2.7
135.11699	27.9
141.06998	3.2
142.07800	6.3
143.08574	26.0
145.10138	24.0
147.11661	3.0
155.08566	4.4
156.09367	10.3
157.10144	28.2
159.11751	4.6
163.11217	37.6
166.07666	2.0
169.10182	2.8
170.10899	6.0
171.11716	39.0
181.12231	9.5
183.11705	5.0
185.09618	3.9
185.13261	36.3
197.13252	4.5
199.14803	8.1
209.16602	2.2
227.06993	6.8
227.10611	5.0
227.12619	36.4
227.14349	7.0
227.17938	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1065
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01571	0.6
51.02350	1.5
53.03951	9.7
53.04179	0.6
55.01841	1.9
55.05507	2.6
55.05709	0.6
57.03408	0.5
57.07084	2.6
65.03907	1.1
67.05463	1.6
69.07028	1.4
71.08602	1.3
71.48872	0.6
77.03915	3.4
77.98698	0.4
78.51159	0.4
78.77617	0.4
79.05497	3.2
81.03386	0.9
81.07027	1.5
83.08598	0.9
85.10171	0.6
91.05479	12.5
93.06996	1.8
95.04974	10.1
95.08591	0.8
97.10150	1.0
100.11269	4.5
103.05481	2.5
105.04529	5.3
105.07034	14.7
106.07835	0.9
107.04977	2.8
107.08573	0.8
109.10135	0.6
115.05460	17.2
116.06184	1.3
117.06978	1.5
119.04945	54.2
119.08553	1.3
121.06542	1.2
125.09592	1.4
128.06229	11.3
129.07010	56.5
130.07368	0.6
131.04892	0.8
131.08548	0.6
133.06496	17.6
133.10033	0.5
134.07277	57.4
135.07645	0.9
136.59578	0.5
139.05397	0.5
141.06996	23.7
142.07726	1.9
143.08562	2.4
145.06470	1.1
145.10167	0.6
152.06235	1.0
153.06979	2.4
155.06038	2.2
155.08527	1.1
157.05257	0.9
157.06512	10.8
157.10104	1.5
158.07155	0.7
165.06982	1.9
166.07764	2.1
167.08443	0.7
168.05711	1.2
169.06485	2.4
169.10173	0.7
170.07288	3.7
171.08058	3.0
171.11708	1.9
179.08636	0.6
181.06479	3.6
181.10117	2.0
183.08049	0.6
183.11659	0.8
184.05223	1.1
184.08900	0.6
185.05986	100.0
185.13353	1.1
186.06660	4.1
187.07509	0.9
189.11194	0.7
191.08511	0.9
191.58534	0.5
194.07266	2.8
194.10954	0.5
197.05844	1.3
197.09747	0.5
198.06801	2.2
199.07541	13.9
199.11220	2.7
209.09663	3.7
209.13438	0.5
209.16577	0.9
212.08330	1.2
225.09077	1.1
227.10687	25.1
227.12349	1.0
227.14423	2.6
227.17885	4.5
227.20117	10.5
228.23297	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.1088
Annotation	6-Benzylaminopurine
Peak:m/z	Relative Intensity
65.03933	1.3
70.03587	0.3
70.03992	0.7
91.05482	100.0
92.05794	0.9
107.05000	0.2
120.05639	0.2
148.06200	2.0
184.08829	0.2
226.10883	61.0
227.07071	0.2
227.11176	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0317
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	25.0
58.08377	18.5
61.02941	29.1
69.79175	100.0
71.75963	20.3
84.08155	51.7
85.02962	20.8
98.21436	29.9
101.00888	33.3
107.67443	21.6
112.44416	19.5
116.07094	29.9
151.06244	21.5
172.24333	19.9
184.96140	22.7
185.02881	32.6
226.86787	31.8
243.30363	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	226.0477
Annotation	Unknow
Peak:m/z	Relative Intensity
69.94020	100.0
69.94427	54.6
77.51265	25.1
98.21421	33.8
98.83875	20.6
170.75104	22.7
188.87448	22.0
207.73096	21.7
210.49652	25.0
226.04816	66.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.0478
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	17.2
57.03450	19.6
58.06577	14.4
58.93606	12.1
61.02929	50.9
69.03426	19.0
71.48067	23.7
71.61137	12.6
73.02919	17.8
79.05482	13.4
82.99844	20.2
84.08131	19.8
85.02903	38.7
89.00884	13.8
96.04517	23.1
97.02892	14.2
98.97597	23.1
101.00889	75.0
107.04914	12.4
113.00868	49.1
116.35684	11.6
119.01927	91.1
120.05541	14.0
127.02430	23.7
131.01035	12.7
131.01894	68.8
132.47598	14.1
133.03435	15.7
138.56833	14.9
142.03610	13.8
143.01868	29.8
145.03497	55.2
155.01950	60.6
157.03513	19.9
161.02957	49.6
167.01947	14.2
169.03537	12.3
171.01442	16.4
173.02972	80.1
185.02940	55.0
196.04456	24.4
203.02245	23.2
203.03935	88.3
221.03091	20.2
221.05034	100.0
223.52637	12.1
226.04913	41.3
226.07158	19.5
226.10745	28.9
244.06712	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	225.1486
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
53.94776	0.7
55.01860	1.2
55.05514	8.1
56.05038	16.9
57.03442	1.3
57.07069	3.4
58.78119	0.8
59.04983	1.5
67.05499	3.3
69.07074	4.5
71.01353	1.2
71.04994	40.1
71.48833	1.4
72.46828	1.0
79.05501	5.6
80.49440	0.8
81.03458	1.8
81.07060	15.0
83.04973	3.9
83.08620	7.6
85.02898	2.6
85.06541	1.2
86.01432	0.8
86.03608	0.8
90.03439	2.0
91.05479	7.2
93.07027	4.2
95.04965	2.9
95.08615	12.3
97.06538	10.8
97.10162	1.1
99.04458	100.0
99.08099	1.9
105.03383	1.8
105.07034	9.2
107.08599	36.0
109.06517	22.6
109.10181	3.1
111.08069	2.1
111.11678	1.1
113.09650	5.3
119.08598	6.2
121.06595	1.0
121.10154	13.7
123.08072	18.1
123.11707	16.7
125.05997	1.1
125.09641	8.3
127.07579	1.5
128.00777	36.5
129.73584	0.8
131.08530	1.8
133.10132	3.7
135.08148	1.0
135.11693	1.4
135.94141	0.9
137.09641	1.9
137.13264	2.8
139.11172	3.8
141.07007	1.7
141.12762	2.5
147.11697	8.7
149.09627	10.6
151.07570	1.6
153.12724	1.0
155.10710	0.9
161.13286	2.7
165.07018	1.3
165.12762	10.6
167.10669	20.1
169.10016	2.0
171.11662	0.9
179.14310	4.0
181.10141	1.2
182.07124	1.0
183.11868	2.1
183.13800	33.4
189.12749	2.3
207.13774	7.0
210.06682	2.0
216.28847	0.9
225.07162	11.3
225.09152	4.0
225.12709	0.8
225.14680	12.7
225.16241	2.0
226.10815	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
62.42981	0.5
62.75247	0.5
65.11620	0.5
66.38921	0.5
66.81078	0.4
69.82829	2.3
76.88036	0.5
79.32185	0.5
82.99835	4.9
84.96042	2.3
98.21470	0.7
98.97665	1.9
101.00887	42.6
116.98867	3.7
119.01926	61.1
119.69890	0.6
120.02020	1.2
122.97856	0.9
124.02508	0.5
134.99919	3.7
137.02954	7.5
140.98833	11.2
142.03484	5.3
153.00972	0.7
157.02052	0.6
158.99907	26.3
159.99994	1.9
160.04562	0.7
161.02988	3.2
165.99651	0.8
175.03056	1.7
177.00964	99.5
178.01025	4.0
179.00935	0.6
179.03999	2.4
182.99831	4.5
193.04062	1.1
199.03012	1.0
200.02591	0.9
201.00894	11.8
201.02399	1.0
202.00975	0.9
202.02704	0.9
215.99718	1.0
217.04095	12.2
219.02017	100.0
219.94586	1.1
220.02119	9.4
221.02260	1.0
225.00677	5.0
227.99777	0.6
234.00708	2.6
242.03700	0.7
243.01993	27.8
244.02042	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.1282
Annotation	Maokonine
Peak:m/z	Relative Intensity
53.95223	0.6
58.06602	3.8
58.56432	0.6
58.58434	0.8
59.05006	1.3
68.05034	1.0
69.82014	0.5
70.45564	0.6
70.60715	0.7
70.61034	1.1
79.05516	4.2
84.24174	0.7
89.45405	0.7
91.05482	7.3
92.13924	0.6
93.07055	1.9
101.03163	0.6
103.04811	1.0
103.05472	14.2
104.06247	0.9
105.07031	35.4
107.04955	4.7
115.05475	0.9
117.05779	1.1
117.07005	1.6
118.06552	14.2
119.07330	1.9
120.08112	22.8
128.06207	4.8
130.06537	3.7
131.04927	3.7
131.07275	3.3
131.08600	1.7
132.08128	1.7
142.71472	0.6
143.08531	3.3
145.08888	0.8
158.09566	1.0
160.11221	100.0
161.11537	0.7
172.43520	0.7
178.12276	86.3
179.12675	1.3
206.11760	13.6
211.74008	0.6
224.02866	0.8
224.12817	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	224.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	0.6
56.96582	0.7
57.75414	0.6
58.06612	3.6
59.04990	1.4
68.05030	1.6
71.10167	0.9
76.07639	0.8
79.05496	4.6
84.73639	0.8
91.05482	6.8
93.07061	1.2
103.05477	15.7
104.05016	0.7
105.07037	38.0
107.04965	4.7
115.05493	1.1
117.07037	1.5
118.06548	15.3
119.07320	1.3
120.08111	22.3
121.06438	0.7
128.06230	5.8
130.06516	3.2
131.04984	3.2
131.07320	3.9
131.08551	1.4
132.08115	2.4
143.08543	4.0
158.09674	1.2
160.11227	100.0
161.11528	1.2
178.12282	88.2
179.12593	1.6
196.00917	0.8
206.11778	12.3
224.02754	1.2
224.05653	1.2
224.12822	32.3
226.04327	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1693
Annotation	4,5-Epoxy-13-hydroxy-beta-caryophyllene
Peak:m/z	Relative Intensity
55.01865	0.9
55.05513	5.1
56.05039	16.3
57.03425	0.8
57.07069	1.1
65.03920	0.5
67.05506	9.1
69.03426	2.2
69.07071	4.2
69.36643	3.1
71.04981	1.4
79.05499	5.0
81.03417	0.6
81.07060	10.2
83.04964	1.6
83.08620	3.1
85.06540	1.4
90.03456	3.1
91.05477	3.4
93.07046	10.0
95.04955	1.0
95.08607	12.5
97.06529	1.5
97.10183	0.9
98.99995	1.0
99.08102	0.8
101.06014	0.7
105.07051	4.6
107.08601	20.4
109.06531	1.2
109.10167	5.1
111.08083	8.1
113.09651	0.7
117.07012	0.7
119.08575	3.7
120.08082	1.2
121.06512	0.9
121.10154	6.3
123.08102	0.7
123.11711	0.9
125.09634	100.0
126.01070	43.5
126.09965	1.0
127.01477	0.6
131.08577	1.5
133.10114	2.6
135.11678	2.3
137.05894	0.5
139.07571	1.1
141.08958	0.5
144.02136	0.8
145.10121	3.7
147.11681	3.8
149.02357	2.0
149.09599	1.1
149.13261	9.7
151.11214	0.8
159.11711	1.9
161.13264	1.6
163.11163	2.1
163.14859	3.1
165.12782	1.3
167.08583	0.9
177.12773	0.7
177.16460	2.1
179.08540	0.8
181.15892	0.7
187.14806	5.0
190.01126	0.4
205.12440	0.7
205.15880	8.6
223.02370	1.3
223.04196	1.1
223.07500	13.7
223.11162	0.9
223.13144	0.9
223.14867	1.6
223.16899	8.9
225.04352	1.6
228.04807	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1694
Annotation	Rumphellolide F
Peak:m/z	Relative Intensity
55.05508	4.4
56.05047	2.5
63.66939	1.8
64.96339	1.8
67.05509	8.7
69.07079	13.4
70.08301	5.3
71.04977	4.4
79.05508	15.6
81.07065	36.2
83.08627	5.9
85.06507	2.6
86.53098	1.6
89.37854	1.7
91.05498	11.0
93.06490	2.9
93.07054	42.0
95.04985	3.5
95.08615	37.2
97.06536	15.6
99.08066	2.0
100.27348	2.0
104.36584	1.5
105.07028	13.5
107.08604	100.0
109.10143	8.5
110.36855	1.8
111.08102	2.4
119.08600	8.5
121.10160	36.1
125.09595	2.3
126.01098	5.0
131.08568	4.0
133.10133	3.0
135.11708	12.2
139.11201	11.0
145.10147	5.4
147.11652	3.8
159.11794	3.5
161.13306	8.4
163.14839	37.4
163.16129	3.0
170.27846	2.1
176.50969	1.9
187.14883	5.0
205.15903	20.8
213.45993	1.8
223.07465	2.3
223.16948	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	223.1694
Annotation	4,5-Epoxy-13-hydroxy-beta-caryophyllene
Peak:m/z	Relative Intensity
53.03940	1.5
55.05520	5.8
55.67880	0.7
56.05032	3.8
65.03947	0.9
67.05509	7.8
69.03448	0.9
69.07070	12.9
70.66253	2.0
71.04994	4.4
79.05499	13.4
81.07059	32.0
83.04967	1.2
83.08617	5.0
85.06546	1.6
89.85955	0.7
91.05479	10.9
93.07048	39.7
95.04964	3.3
95.08608	28.7
96.08900	0.7
97.02888	0.9
97.06532	10.3
99.08103	1.0
105.04559	0.9
105.07038	10.0
107.08597	100.0
108.08940	1.0
109.06523	2.5
109.10175	7.5
111.08052	1.0
113.09655	0.7
117.07018	1.1
118.66125	0.7
119.06082	1.2
119.08570	8.9
121.10152	30.3
123.08060	1.5
125.09617	1.2
126.01073	13.7
131.08571	2.4
133.10135	2.1
135.11693	13.5
139.11185	8.3
145.10085	4.3
147.11702	2.6
149.09634	1.6
159.11720	3.1
161.13196	3.9
163.13434	1.9
163.14825	38.7
165.12758	0.8
173.35966	0.7
187.14851	3.8
205.15874	13.7
223.07478	3.0
223.16850	3.9
225.04280	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0965
Annotation	Monoisobutyl phthalate
Peak:m/z	Relative Intensity
51.03017	0.3
56.05029	0.8
57.06836	0.5
57.07080	5.8
64.90904	0.3
65.03929	1.7
67.05472	0.3
69.36189	2.2
69.36599	0.5
71.05001	0.5
79.05473	0.5
81.07052	0.7
90.03466	0.4
91.05506	0.4
93.03421	0.7
95.08613	0.4
103.53578	0.3
105.07011	0.4
107.08582	0.8
115.58634	0.4
119.08537	0.4
121.02867	5.8
121.03979	1.1
125.09637	0.4
126.01083	2.6
141.09610	0.3
148.43811	0.4
149.02347	100.0
150.02664	0.9
167.03412	1.0
178.13109	0.5
198.04678	0.4
205.15854	0.5
223.07571	0.8
223.16887	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.108
Annotation	N5-Phenyl-L-glutamine
Peak:m/z	Relative Intensity
53.03952	1.3
56.05037	4.0
60.27625	0.4
60.48526	0.5
70.73702	1.4
84.04513	100.0
85.02924	2.4
91.85644	0.5
92.05009	0.7
94.06577	93.6
95.04984	0.6
102.05535	1.6
105.04530	0.6
120.04484	1.4
121.02891	3.4
130.05019	35.8
131.05324	0.5
138.71919	0.5
149.02376	0.8
159.09184	1.6
160.07594	0.8
161.40717	0.5
177.05486	0.7
177.10223	1.8
201.34712	0.5
203.84540	0.4
205.01271	2.0
206.08141	13.2
223.02415	11.9
223.05986	1.1
223.10762	2.9
223.12944	0.8
225.04301	1.4
237.76242	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1693
Annotation	4,5-Epoxy-13-hydroxy-beta-caryophyllene
Peak:m/z	Relative Intensity
55.01873	2.7
55.05517	10.7
56.05026	3.6
56.21893	1.6
57.03448	16.2
57.07075	4.2
59.04995	5.5
67.05511	17.2
69.03417	7.6
69.07072	35.6
71.04986	2.1
74.27095	1.6
79.05496	15.9
81.07061	43.4
83.04977	2.2
83.08604	7.2
83.09072	2.1
85.06537	2.6
91.05470	10.0
93.07057	28.7
95.04951	4.4
95.08598	23.1
97.06535	77.4
97.10164	4.0
99.08100	4.0
105.07038	12.3
107.08600	55.0
109.06530	15.4
109.10166	50.0
111.08074	3.2
117.07027	1.8
119.08574	9.3
121.06490	6.2
121.10152	44.4
121.63467	1.6
123.07316	1.7
123.08055	9.5
123.11731	27.4
125.09637	12.7
126.01035	8.7
126.87262	1.9
127.11214	9.3
131.08553	4.0
133.10153	11.8
135.08070	10.0
135.11658	13.9
137.09633	2.3
139.11208	2.7
145.10138	11.5
147.11678	4.9
149.02315	5.0
149.09615	7.5
149.13286	13.1
151.11191	47.5
153.09111	2.4
161.13260	5.4
163.11151	12.8
163.14832	23.9
165.12747	4.4
173.13200	1.8
177.16415	9.9
179.14279	3.5
181.12195	3.4
187.14824	7.9
205.15891	31.7
209.01248	2.2
223.07608	2.5
223.11320	3.5
223.13307	4.4
223.15326	3.8
223.16939	100.0
225.04321	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	223.0965
Annotation	Monoisobutyl phthalate
Peak:m/z	Relative Intensity
55.01881	2.4
55.05510	6.5
55.95172	1.9
56.05038	35.7
57.07077	4.6
65.03936	4.1
65.78401	1.7
67.05506	11.9
68.99802	2.0
69.07059	9.4
70.37752	6.2
71.04989	3.0
79.05479	9.1
81.03443	3.4
81.07053	19.5
83.08614	4.7
90.03438	6.0
91.05475	7.4
91.21238	1.7
93.07056	17.9
95.04962	5.6
95.08620	19.2
97.06537	5.4
99.00006	2.4
99.08105	2.3
105.07024	7.8
107.04947	2.7
107.08598	25.7
109.02875	2.7
109.06526	4.2
109.10149	9.0
111.08083	2.3
117.07076	2.3
119.08604	10.2
121.02864	15.8
121.03689	2.0
121.10146	13.3
123.08121	2.2
123.11663	2.6
125.09621	3.3
126.01076	84.6
135.11752	6.0
139.11136	3.0
145.10175	3.4
147.11713	2.5
149.02348	100.0
149.09572	2.7
149.13289	2.6
151.03885	3.6
161.13304	4.0
163.11171	3.1
163.14761	9.6
165.07013	3.2
167.10674	2.3
177.01889	5.4
179.08534	2.8
180.09230	2.0
181.10214	2.8
187.14879	4.2
191.03439	2.2
195.02925	5.1
205.01338	5.6
205.12282	3.6
205.15965	10.1
223.02419	15.7
223.07555	25.4
223.11183	3.9
223.13283	5.6
223.15108	3.2
223.16907	7.4
223.20572	2.4
225.04315	5.5
227.02281	2.6
235.11919	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	10.4
57.07079	5.0
65.03932	2.3
67.05486	1.8
69.07040	1.1
69.80428	4.6
74.59753	1.1
75.69120	1.0
79.05484	1.3
79.70327	1.0
81.03445	1.3
81.07063	1.6
85.48723	1.1
90.03447	1.9
91.05448	1.5
92.30566	0.9
93.07043	1.4
95.04970	1.7
95.08658	2.3
107.08602	2.5
109.10181	1.2
111.08126	1.1
121.02874	8.6
121.03730	1.3
121.10162	1.5
123.11682	1.2
126.01079	24.0
133.10109	1.1
145.15829	1.0
149.02348	100.0
159.08133	1.1
159.11714	1.1
177.01784	1.5
205.16028	1.4
223.02402	2.8
223.07564	8.1
223.11237	1.5
225.04395	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85080	1.1
55.01855	2.6
55.05514	2.0
56.96309	1.8
56.96569	32.9
57.03438	7.9
57.07055	1.4
58.99856	3.2
61.02912	3.5
65.03925	5.4
66.66513	1.1
67.01833	1.6
67.05499	2.1
68.99774	4.0
69.03442	10.3
69.13243	1.3
70.06596	3.2
70.98136	1.5
70.99854	2.6
71.04980	1.4
71.48360	1.4
72.08142	2.8
73.01424	1.3
73.02905	3.1
77.00883	2.1
77.05375	1.1
79.05486	2.8
80.05032	1.5
81.03429	15.9
82.01442	8.2
82.99837	2.5
83.04965	2.0
84.04507	1.4
84.08142	4.4
84.96039	2.1
85.02911	11.3
86.09727	1.3
89.00906	1.7
91.02438	1.2
91.05446	1.7
93.03384	2.7
93.07052	1.2
95.04967	2.1
95.08562	1.2
97.02868	4.1
98.97589	16.8
98.98256	1.6
99.04476	1.3
100.02486	13.8
101.00888	23.0
102.02228	1.6
102.96878	4.0
103.00620	1.6
105.03392	2.2
105.04535	6.5
107.01268	1.3
107.04934	1.6
107.08617	1.5
109.02885	4.2
110.97599	1.7
111.02034	1.5
111.04414	1.6
112.05122	1.2
113.00864	8.4
114.04078	2.3
115.02440	2.3
116.98642	7.0
118.03529	5.0
119.01928	46.6
120.01954	1.4
120.97943	2.9
121.01675	3.2
121.02873	20.6
121.10140	1.5
123.04407	2.8
124.02448	2.4
124.99080	1.4
126.01078	4.4
126.29805	1.2
126.98765	2.2
127.02406	1.4
128.98645	2.0
130.08667	1.2
131.01921	43.2
132.01938	1.6
133.03471	5.8
134.99689	1.8
135.04352	1.8
136.02388	3.2
137.02971	7.8
137.05910	1.6
138.96400	1.8
139.02519	1.2
139.52531	1.5
139.96501	2.2
142.03517	10.2
143.00175	2.8
143.01869	4.1
144.99803	4.3
145.00812	2.2
145.03488	6.5
149.02164	15.0
150.00288	1.7
154.03499	28.2
155.01952	2.5
156.05040	4.6
156.97488	10.0
157.01707	1.5
157.03511	8.0
157.97554	22.0
158.97278	4.2
158.99681	2.7
159.01341	6.0
159.05093	1.3
160.04587	2.0
161.01253	2.3
161.02943	4.4
163.04568	2.0
164.07043	3.3
165.02274	1.5
167.03430	2.0
168.01433	8.1
169.01691	2.7
169.03474	2.9
171.02943	1.6
172.04567	6.2
173.02982	5.0
173.06569	1.5
174.06194	2.1
174.98532	8.3
175.02896	2.3
175.04512	3.3
175.98615	16.9
176.98387	3.4
176.99242	1.5
177.01888	30.0
178.02472	1.3
178.04858	1.7
179.02106	1.5
179.03427	9.5
180.01060	2.6
180.97586	1.2
180.99965	3.2
181.04646	3.4
182.02983	16.3
183.03378	1.4
185.02849	1.6
188.02603	4.9
190.98689	1.4
193.03696	1.5
194.99210	1.3
195.02922	19.4
195.08197	1.5
197.01019	1.2
198.98549	4.8
199.00832	2.9
199.05855	6.0
199.98697	5.8
200.04045	55.0
201.00763	2.4
201.02431	4.7
201.04216	1.7
203.03862	1.7
205.01375	24.0
205.04396	8.0
205.14040	1.4
209.01204	2.6
213.00392	1.3
216.99706	2.1
217.01865	3.0
217.03763	1.7
217.99675	12.0
218.05096	9.8
219.03543	2.9
221.03069	1.3
221.05254	1.1
223.02444	100.0
223.05751	17.0
223.10997	3.5
223.15297	6.9
223.17052	1.9
225.04337	15.9
227.02292	3.7
230.01801	1.2
231.38680	1.2
240.99954	3.2
241.03809	17.1
241.06702	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	223.0238
Annotation	Mompain
Peak:m/z	Relative Intensity
57.02132	0.3
68.99779	0.3
70.27194	0.3
70.54079	0.7
70.54410	0.3
75.02370	0.3
77.61919	0.3
87.44305	0.3
105.03413	0.7
107.24098	0.3
121.02868	29.7
149.02405	0.3
177.01859	4.8
205.01329	21.4
213.18988	0.3
223.02379	100.0
224.02670	1.3
225.04332	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0238
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89501	0.2
55.01866	0.5
57.07078	0.3
67.01862	0.3
67.05479	0.3
69.42802	0.7
69.43224	1.0
71.04994	0.2
79.05484	0.8
81.07015	0.3
84.04539	0.2
85.02884	0.3
89.06039	0.3
91.05470	1.1
93.07049	0.9
95.04948	0.5
95.08627	0.3
97.02898	0.2
105.03416	0.5
105.06997	0.6
105.91135	0.2
107.04941	0.7
107.08624	0.5
109.06500	0.4
115.05448	0.5
117.07026	2.5
119.08607	0.3
121.02868	26.1
121.06492	0.9
121.10129	0.3
126.01057	0.5
131.08580	1.0
135.04379	0.4
135.08070	0.9
141.06982	0.3
145.06487	0.6
149.02350	1.4
149.09593	0.7
159.08066	2.5
161.03424	0.2
163.03864	0.4
163.07530	1.6
163.11188	0.3
165.09117	0.3
177.01849	4.6
177.09082	1.2
179.07024	0.2
187.07578	0.7
191.03372	0.2
195.02191	0.2
195.10146	0.3
199.60287	0.2
205.01324	10.2
205.06844	0.3
205.08621	1.3
205.12186	0.4
213.49577	0.2
223.02380	100.0
223.13358	0.7
224.02724	1.4
225.04355	1.7
226.10503	0.2
227.02426	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.116
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36373	0.5
53.03942	2.3
55.05513	63.8
56.05019	0.7
56.96566	0.6
58.99586	3.7
60.04519	1.2
67.05476	0.5
69.03421	0.9
69.76888	2.4
70.06593	1.4
72.08175	0.6
74.02438	0.6
75.53036	0.5
76.02222	1.6
79.05499	1.2
79.35406	0.5
80.52311	0.5
81.03431	0.6
81.07082	0.7
83.08620	100.0
84.04507	1.6
84.08146	1.2
86.62089	0.5
86.99047	5.8
91.05492	1.4
94.06567	0.8
101.09658	14.4
102.09222	1.1
105.00089	7.9
106.06566	1.1
107.82626	0.5
116.04967	0.7
120.04458	0.7
120.08099	1.2
121.02863	4.1
121.06593	0.6
122.02680	0.8
123.04472	0.6
123.86578	0.6
130.08664	0.8
134.06029	2.1
135.04454	1.7
136.06213	1.0
137.05984	1.4
138.06351	0.8
144.09004	0.6
148.07594	1.9
149.02339	1.0
149.05988	0.7
155.51230	0.5
159.08330	0.9
160.03975	0.6
162.05463	8.0
176.05623	0.7
176.06966	3.1
177.01904	0.8
178.05087	1.3
178.08813	0.8
180.06654	0.6
189.07883	1.9
192.59483	1.0
194.08154	2.5
204.06665	2.4
204.10475	0.6
204.12369	1.9
205.01399	1.5
205.08957	13.4
205.12926	0.5
207.03499	0.8
216.97954	0.8
222.05885	22.5
222.07733	8.0
222.11751	2.8
222.13412	1.8
222.15237	3.5
223.02383	18.8
225.04373	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.4
52.01948	0.4
53.03947	3.0
56.05027	0.4
60.08153	0.5
61.04053	9.2
69.84974	1.8
77.03934	0.7
81.07075	0.4
86.06072	33.9
87.01960	1.2
90.56606	0.3
92.05011	10.8
93.07045	0.6
94.06574	100.0
95.04967	3.9
95.06882	0.8
95.08632	0.7
97.06542	0.4
98.21458	0.4
101.98592	0.3
103.08713	11.6
105.04521	1.4
119.06106	1.2
119.54479	0.4
120.04475	19.0
125.09612	0.5
126.01067	0.7
128.96571	0.3
136.12024	0.4
137.07149	0.9
161.10791	0.6
163.05063	0.8
176.15208	0.5
204.06734	0.4
204.14711	0.6
205.09721	0.9
222.05856	2.4
222.12321	2.1
222.15741	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0761
Annotation	Hyrtioerectine C
Peak:m/z	Relative Intensity
53.03918	1.9
55.01872	14.9
56.05009	0.6
56.96567	13.8
57.03399	0.5
58.06576	0.6
70.06573	1.0
71.04953	0.7
71.10497	0.5
71.48059	0.5
72.08134	1.0
72.93794	0.6
72.96038	0.6
73.02887	1.8
77.03915	1.5
79.05486	1.3
80.04991	0.7
80.13985	0.5
81.03410	0.5
81.07050	0.6
82.06550	0.8
83.97601	0.5
84.08109	1.7
85.02927	1.0
86.09753	0.6
91.05445	1.9
92.05015	7.8
92.99914	0.5
93.05775	0.7
94.06573	29.9
95.04949	2.0
95.08590	0.5
98.97561	2.2
101.02388	3.6
102.05521	0.8
103.05446	0.9
104.04965	0.6
105.04485	1.1
105.07010	1.0
106.06554	3.2
107.04908	0.7
115.05406	0.6
116.98598	1.0
117.05746	0.6
118.06525	1.0
118.38478	0.5
119.07316	0.7
119.08643	0.5
120.04471	24.8
120.08105	10.3
121.06539	0.7
122.06013	0.7
123.04393	1.3
129.01851	0.9
130.06525	5.9
130.08606	1.0
131.04944	0.6
132.08110	5.1
134.05991	1.7
134.09636	1.2
135.04451	1.1
137.05972	1.4
143.04941	0.6
146.06033	0.6
148.03926	1.3
148.07582	34.8
150.09113	2.3
156.97449	5.7
158.06039	1.5
158.99615	0.8
160.07550	0.8
160.09683	0.8
161.05931	1.0
162.05508	3.3
163.09947	0.7
174.98592	3.5
176.03888	3.2
176.07079	100.0
176.14270	1.0
177.05408	0.6
177.07571	1.1
178.05302	1.1
178.08638	6.9
178.12254	0.5
180.06534	0.5
181.01692	0.8
183.03311	0.8
186.05580	0.6
194.05261	0.5
194.08133	13.2
196.06712	0.7
198.96886	0.9
198.98740	1.6
199.02800	1.1
204.06573	31.6
204.10138	4.5
204.13860	1.9
205.01453	0.7
205.05083	0.5
205.06917	1.1
208.02802	0.9
216.99681	3.3
217.03845	1.5
217.05688	0.6
222.04404	3.7
222.07658	27.7
222.11232	15.8
222.14867	14.9
223.02599	1.3
223.08063	0.7
225.04335	1.5
240.02829	1.0
240.05461	3.2
241.03773	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0763
Annotation	Methyl 2-(2'-hydroxyphenyl)-2-oxazoline-4-carboxylate
Peak:m/z	Relative Intensity
53.03941	0.4
55.93512	0.4
56.96554	0.5
57.07074	0.4
67.05487	0.4
70.06573	0.8
70.64030	1.2
73.36218	0.4
79.05507	2.1
84.08140	1.7
89.03902	1.3
91.05483	1.5
93.07047	0.5
95.04967	0.7
98.97593	0.5
102.05549	0.5
103.05453	0.5
105.07053	0.7
106.06559	4.9
107.04957	1.2
114.26893	0.4
116.04998	7.1
117.03360	0.8
120.08143	0.5
121.02891	2.3
121.06506	0.4
130.06540	0.8
130.08636	0.8
132.08064	2.0
133.05188	0.6
134.06023	16.2
134.09622	0.5
135.04417	8.5
137.06007	0.5
144.04460	1.9
144.98424	0.4
148.03963	0.5
148.07579	2.5
149.02341	0.5
150.05598	0.4
156.97501	0.6
159.06412	0.5
162.05510	100.0
163.05840	1.1
166.08623	0.4
176.07007	4.0
176.10640	0.4
177.01772	0.8
178.08711	0.6
178.12239	2.6
180.06561	3.4
189.07867	1.5
194.08133	3.7
194.16190	0.5
198.96916	0.5
204.04802	0.5
204.06523	1.1
205.01341	0.8
207.03548	1.0
216.97931	0.5
222.05792	24.9
222.07645	67.2
222.11232	1.6
222.14812	3.8
223.02391	7.9
223.05937	0.6
223.08006	1.0
225.04272	1.3
233.74788	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0586
Annotation	Pulicatin C
Peak:m/z	Relative Intensity
56.96576	1.7
65.21009	0.3
67.05508	0.3
69.07063	0.3
70.06581	0.9
71.48389	0.5
72.93774	0.4
74.14119	0.3
76.94547	0.3
79.05490	0.4
80.04996	0.4
81.07051	0.6
84.08144	0.4
85.02884	0.3
85.10512	0.3
90.94817	0.4
91.05474	0.9
94.06559	0.3
95.04961	0.3
95.08622	0.4
102.05518	0.3
106.47987	0.3
107.04958	0.7
107.08585	0.3
108.05227	0.4
109.02919	0.4
109.06535	0.3
115.05540	0.3
116.07069	0.5
118.06516	1.0
119.07352	0.6
119.08627	0.4
120.08102	1.6
121.02837	0.4
121.06548	0.4
130.06491	0.4
132.08122	1.3
134.09648	0.5
136.07520	0.7
148.07544	1.4
149.02304	0.3
149.05959	0.3
156.97490	0.4
158.09723	0.3
160.07568	0.5
160.11093	0.3
162.05527	2.2
166.03189	0.4
167.00092	0.5
171.06799	1.1
172.07567	2.1
174.98586	0.6
176.05438	0.6
176.07050	3.5
176.10657	1.0
178.12305	4.0
179.01665	0.5
188.07091	0.9
189.07877	7.0
190.08617	1.3
193.03212	0.4
194.08185	1.9
194.99530	0.4
198.96909	0.5
204.04784	2.3
204.06667	1.2
204.13863	1.0
207.03522	5.4
222.05850	100.0
222.11366	2.9
222.14876	12.4
223.02477	2.1
223.06134	1.2
225.04335	0.6
226.98535	0.8
240.09732	0.4
241.03882	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1902
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03951	3.0
55.05515	19.7
56.96547	2.3
57.07058	3.5
59.04989	2.3
65.70321	1.5
67.05502	18.8
69.03419	2.8
69.07074	24.5
71.04997	25.7
74.08133	1.5
77.36789	1.7
79.05132	2.0
79.05500	19.2
81.07060	72.3
83.04993	3.6
83.08641	10.3
83.87187	1.6
85.06554	19.1
91.05484	22.8
93.06490	3.3
93.07048	51.8
95.04977	10.5
95.08617	50.3
97.06540	20.2
97.10177	3.2
98.06849	2.2
99.08080	4.5
105.07037	49.4
107.04953	1.8
107.08603	73.9
109.06526	7.1
109.09473	3.0
109.10162	31.7
109.10852	2.9
111.08093	5.7
111.11678	2.1
117.07005	5.3
119.08596	70.2
121.02866	1.7
121.06512	3.4
121.10155	29.1
123.04416	3.1
123.08063	6.2
123.11713	20.4
124.04817	2.3
125.09668	9.8
127.11198	4.8
129.07045	2.0
131.08560	4.6
133.10141	37.8
135.08069	3.5
135.11700	100.0
137.09622	7.0
137.13251	3.9
142.07797	2.1
143.08533	3.0
145.10144	5.6
147.08052	4.7
147.11708	32.5
149.02356	14.2
149.13264	12.9
151.07556	2.4
151.11176	4.3
159.11754	4.0
161.05992	16.1
161.09612	6.5
161.13287	29.8
163.11247	2.0
163.14822	7.5
165.06976	3.1
165.09113	2.1
165.12750	3.5
175.07500	2.3
175.11205	2.2
175.14853	15.2
177.09122	7.7
177.12929	2.4
177.16409	7.7
179.07062	2.0
179.14320	1.7
185.13309	4.2
193.15877	2.9
203.06839	2.1
203.10674	2.7
203.14380	10.1
203.17981	40.6
221.04559	5.2
221.07942	3.6
221.11601	2.4
221.13409	4.1
221.15472	25.3
221.19034	55.6
221.22018	6.0
222.05820	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	221.1901
Annotation	(Z,E)-Farnesal
Peak:m/z	Relative Intensity
52.23087	0.8
53.03936	0.8
55.01868	0.8
55.05513	10.8
55.90784	0.8
56.64841	0.8
57.03413	1.1
57.07083	4.0
67.05500	12.1
69.03444	1.3
69.07072	22.3
69.13837	2.7
69.14258	6.2
71.04980	3.2
71.08623	1.5
73.82538	0.8
79.05508	3.6
81.07057	34.4
83.04975	1.7
83.08625	7.5
85.06548	3.6
85.10170	0.9
88.62352	0.7
91.05473	3.4
93.07053	11.5
95.04982	6.1
95.08611	32.9
97.06530	3.4
97.10155	3.2
98.20779	1.5
99.08137	1.0
105.07040	11.9
107.08595	11.4
109.06516	5.4
109.10161	40.7
111.08067	3.1
115.25108	0.8
119.08584	15.1
121.10147	24.7
123.08108	3.6
123.11704	23.9
125.09646	2.7
131.08543	1.1
133.10135	13.2
135.11681	7.5
137.09618	3.1
137.13261	11.6
139.11226	2.4
145.10205	0.9
147.11697	15.5
149.13277	2.3
151.11166	5.3
153.12837	1.0
159.11656	1.2
161.13269	7.3
163.14810	4.6
164.90283	0.7
165.12776	8.7
175.14783	2.8
177.16353	1.8
179.14352	1.6
179.17952	13.0
193.19487	1.2
203.14284	1.4
203.17969	30.4
221.19012	100.0
222.19226	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03949	1.7
55.01871	1.4
55.05508	14.4
57.03436	1.2
57.07054	4.0
65.03928	1.7
66.95554	1.1
67.05508	13.3
67.84655	1.2
69.07073	13.7
70.68819	2.3
70.69149	2.0
71.04994	16.7
71.23777	1.0
73.06532	1.1
74.82876	1.1
79.05070	1.5
79.05494	17.0
81.07055	45.8
83.04981	2.8
83.08620	6.6
85.06532	2.8
89.41457	1.1
91.05470	14.0
93.06493	2.2
93.07046	35.7
94.71761	1.0
95.04972	30.2
95.08607	32.9
97.06525	7.9
97.10192	2.5
99.08083	3.3
105.07027	22.4
107.08595	67.3
109.06513	6.8
109.10160	24.8
111.08071	4.4
113.09649	1.4
117.07037	2.4
119.08580	30.8
121.06492	3.0
121.10146	13.0
123.08047	7.5
123.11713	16.5
125.09621	15.9
127.11180	4.3
131.08588	3.1
133.06419	1.8
133.10129	27.8
135.11688	100.0
137.05951	1.2
137.09612	7.7
137.13249	4.6
139.11189	4.2
143.08525	2.1
145.10130	4.4
147.11681	15.3
149.13254	4.8
151.11172	6.1
157.10098	2.6
159.11737	7.4
161.09590	3.0
161.13252	21.1
163.11214	2.9
163.14790	6.1
165.12709	1.9
171.27832	1.1
175.11375	1.3
175.13541	1.3
175.14859	7.9
177.12770	3.9
177.16376	2.7
179.14319	2.6
185.13268	2.0
193.15901	1.5
203.14384	7.5
203.17960	27.9
206.10889	2.7
206.16196	4.3
221.04420	2.2
221.08005	1.2
221.13260	5.4
221.15401	15.5
221.19005	46.4
222.03654	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1899
Annotation	(E,E)-3,7,11,-Trimethyl-1,4,6,10-tetraen-3-ol
Peak:m/z	Relative Intensity
50.76159	1.3
53.03936	2.0
55.05518	8.3
57.07069	4.9
67.05502	8.5
69.07069	9.7
70.68656	3.3
71.04997	17.2
79.05497	11.4
81.07063	39.8
83.08627	6.0
85.06517	1.6
91.05479	7.8
93.06490	2.3
93.07054	29.9
95.08605	18.2
97.06546	1.9
97.10169	2.4
98.19507	1.2
99.08073	2.2
105.07045	15.9
107.08598	58.3
109.06545	2.1
109.10162	15.8
111.08037	1.6
111.11776	1.6
119.08589	20.5
121.10126	7.1
123.08078	3.5
123.11726	11.4
127.11204	2.8
133.10124	20.2
135.11697	100.0
136.12039	1.2
137.09615	4.2
137.13295	1.8
147.11697	16.7
149.13258	5.2
151.11171	5.3
157.26353	1.3
157.76582	1.2
159.11668	1.5
161.13316	6.9
163.14861	3.7
165.12813	3.1
175.14838	2.0
192.13249	1.3
203.17958	26.5
215.21826	1.4
221.19019	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03935	2.0
55.05270	1.0
55.05513	10.8
56.96564	1.0
57.03439	0.7
57.07084	4.7
57.11168	0.7
59.04988	1.5
65.03941	0.9
67.05510	9.2
69.07066	8.5
70.69468	1.6
71.04994	15.5
71.08624	0.8
72.76717	0.6
79.05071	0.5
79.05492	12.8
79.07343	0.7
81.07058	36.0
83.04976	1.9
83.08627	5.7
83.10375	0.6
83.77457	0.8
85.06522	1.7
91.05479	9.3
93.07046	32.6
95.04975	8.5
95.08611	24.9
97.06512	3.6
97.10154	1.4
98.97588	2.8
99.08070	3.4
105.04519	0.7
105.07030	15.3
107.08598	62.5
109.06543	4.1
109.10156	16.7
111.08088	2.9
116.98617	0.8
117.06974	0.9
119.06076	1.0
119.08588	26.4
121.10138	10.2
123.08092	3.4
123.11699	17.4
125.09628	5.3
127.11206	3.0
131.08565	1.1
133.09129	1.3
133.10133	23.6
135.11694	100.0
136.12103	0.8
137.09634	5.8
137.13271	3.6
139.11185	3.3
143.08653	0.7
145.10103	2.6
147.11702	16.3
149.13271	5.5
151.11168	4.8
159.11702	2.1
161.13264	13.8
162.81662	0.7
163.14795	4.1
165.12715	2.1
175.14825	2.7
177.16512	1.6
177.58853	0.7
179.14331	1.3
203.14421	2.3
203.17958	26.0
213.58685	0.7
221.15382	3.6
221.19008	37.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	2-trans,6-trans-Farnesal
Peak:m/z	Relative Intensity
51.44530	0.3
53.03936	0.7
55.01864	0.7
55.05511	9.3
57.03431	0.8
57.07072	3.6
57.39907	0.4
67.05506	12.2
69.03413	0.8
69.07069	20.6
70.94398	0.4
70.94718	0.6
71.04982	3.4
71.08633	1.2
71.53152	0.3
79.05485	4.6
81.07056	32.7
83.04996	1.7
83.08147	0.6
83.08619	8.0
85.06538	2.4
91.05458	2.9
93.07045	11.1
95.04974	5.1
95.08607	31.8
97.06528	2.9
97.10184	2.8
98.23386	0.3
99.08071	0.5
105.07029	11.8
107.08594	10.8
109.06516	5.2
109.10155	39.6
111.08086	3.2
111.11679	0.4
113.09607	0.6
117.06987	0.7
117.71944	0.3
119.08583	16.5
121.06548	0.5
121.10145	24.7
123.08069	3.2
123.11704	22.4
125.09657	2.6
131.08559	1.0
133.10132	12.3
135.11699	6.8
137.09628	2.9
137.12192	0.6
137.13257	11.7
139.07471	0.4
139.11156	1.2
145.10110	1.2
147.08040	0.4
147.11691	13.7
149.02269	0.6
149.13239	3.0
151.11185	5.4
151.14812	1.3
153.12704	0.9
159.11671	1.5
161.09612	0.4
161.13251	8.3
163.14821	4.8
165.12750	8.3
171.64288	0.3
175.14830	4.2
177.12885	0.4
177.16370	1.9
179.14372	2.2
179.17941	12.4
185.13237	0.3
193.19511	1.4
203.14507	2.8
203.17955	29.2
204.18192	0.5
221.15417	4.9
221.19006	100.0
222.19354	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1901
Annotation	beta-Chamigrene-10-ol
Peak:m/z	Relative Intensity
50.00092	0.5
53.03937	0.9
55.01864	1.6
55.05508	10.7
57.03420	1.0
57.07081	3.4
67.05144	0.5
67.05508	11.5
69.07073	21.1
69.68610	2.2
71.04996	4.6
71.08633	1.2
77.49776	0.4
79.05489	5.7
81.07059	32.1
82.07388	0.6
83.04971	1.8
83.08619	7.1
83.85210	0.5
85.06541	4.0
85.10161	0.7
91.05472	4.7
93.07047	13.5
95.04971	12.2
95.08611	29.8
97.06536	6.0
97.10163	1.9
98.20773	1.0
98.75759	0.5
99.08062	0.5
105.07034	15.2
107.08595	13.1
109.06529	6.0
109.10160	41.0
111.08092	3.4
113.09638	0.6
116.43288	0.5
117.07022	0.8
119.04945	0.5
119.08582	17.8
121.06485	1.0
121.10147	28.5
123.08099	3.8
123.11711	22.0
124.23332	0.5
125.09624	7.5
127.75633	0.5
131.08577	1.1
133.09114	0.9
133.10136	12.9
133.60779	0.5
135.08052	0.7
135.11696	9.2
137.09615	3.3
137.13264	10.6
139.11183	2.5
143.08545	0.8
145.10127	1.7
147.08101	0.6
147.11699	13.2
149.02425	0.7
149.13274	2.8
151.11185	5.2
151.14825	1.3
153.12743	1.1
157.10155	0.9
159.11699	3.4
161.06021	0.6
161.09605	1.1
161.13269	10.0
163.11131	1.2
163.14857	5.0
165.12752	8.4
175.14827	4.1
177.12791	0.6
177.16447	2.2
179.14308	2.1
179.17950	10.8
185.13223	1.4
203.14388	4.8
203.17964	31.5
206.16293	1.1
221.15410	8.3
221.19012	100.0
222.19423	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1537
Annotation	(1S-cis)-4-[2,2-Dimethyl-3-(4-methyl-3-furanyl)cyclopropyl]-2-butanone
Peak:m/z	Relative Intensity
50.38364	1.4
53.03942	2.0
53.37438	1.5
55.05502	6.4
56.46405	1.2
57.03419	1.7
57.07058	4.4
67.05518	10.8
69.07070	8.6
70.10155	2.9
70.10541	3.6
71.05003	19.8
79.05497	10.4
81.03395	1.9
81.07064	27.0
83.04971	2.1
83.08621	2.8
85.02897	5.1
85.06566	2.2
91.05468	10.2
93.07050	22.7
95.04974	100.0
95.08611	23.7
96.05267	1.4
97.06535	26.9
103.32235	1.4
105.07037	29.8
107.08612	17.2
109.06519	13.2
109.10161	10.2
110.38769	1.6
111.08064	3.3
117.06992	4.7
119.08586	32.0
121.06487	5.3
121.10142	18.7
123.08072	8.1
123.11694	3.8
125.09641	49.7
129.07008	3.5
131.08611	7.4
133.10138	27.2
135.08022	4.5
135.11694	12.4
137.09619	3.9
139.11168	15.4
143.08537	4.9
145.10168	9.8
147.04381	2.3
147.08034	4.8
147.11653	7.6
149.13300	1.9
151.07590	7.5
151.11220	2.1
153.09074	2.0
157.10115	5.8
159.11696	15.1
161.09613	6.2
161.13266	36.6
163.11180	3.9
165.09050	4.4
169.62199	1.4
173.13246	3.9
175.14854	16.5
177.12773	6.6
179.14320	9.1
185.13252	10.1
193.15907	2.8
203.14326	33.8
203.18005	3.2
206.10863	4.0
206.16197	4.6
221.07761	2.6
221.13393	5.4
221.15369	87.3
221.18861	4.1
230.68773	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1537
Annotation	Dehydrocarissone
Peak:m/z	Relative Intensity
51.90120	1.7
53.76239	1.7
63.24076	1.8
67.05494	7.0
69.07047	6.8
70.21778	3.6
70.22179	3.8
71.05001	11.7
73.06568	2.1
79.05505	10.3
81.07056	25.5
83.08650	2.5
85.06549	2.8
91.05486	13.7
93.07043	34.1
95.04971	17.2
95.08614	17.4
97.06531	6.9
99.27963	1.9
105.07042	48.5
107.04955	2.2
107.08595	17.2
109.06486	5.4
109.10178	6.8
111.08081	3.7
117.07040	13.2
119.08583	46.5
120.72855	1.9
121.06496	4.6
121.10132	19.4
122.38960	2.0
123.08071	52.9
125.09628	7.0
129.07036	3.4
130.07755	2.3
131.08580	20.5
133.10129	25.0
135.11696	19.2
137.09567	2.1
143.08585	9.5
145.10124	19.8
147.08064	3.3
147.11676	5.5
157.10130	10.9
159.11696	43.1
160.12251	2.9
161.09607	6.3
161.13266	100.0
161.14622	5.0
163.11157	21.8
163.14868	3.2
175.14871	12.9
177.12791	1.9
179.14313	56.6
185.13255	21.9
203.14311	67.8
221.15373	66.6
244.71255	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1538
Annotation	Oblongolide
Peak:m/z	Relative Intensity
50.44275	0.3
53.03947	0.4
55.05512	2.5
57.07058	0.3
57.09765	0.3
67.05499	1.5
69.07075	4.1
69.15906	0.3
69.78565	1.1
69.78969	0.7
71.04984	1.6
79.05510	2.0
81.07060	5.2
83.08625	1.6
85.06552	1.1
91.05484	3.3
93.07050	4.8
95.04973	1.0
95.08614	3.3
96.77798	0.3
97.06540	0.9
101.90646	0.3
105.07034	20.8
106.07380	0.4
107.04966	0.9
107.08596	7.7
109.06519	1.9
109.10199	0.7
113.06034	0.4
114.31898	0.4
117.07024	0.9
119.08586	45.9
120.09055	0.3
121.06532	0.8
121.10168	3.0
123.08050	1.2
123.11724	0.6
125.09660	0.3
131.08586	1.4
133.10141	9.8
135.11682	1.0
137.06035	0.5
137.09552	0.3
139.07536	0.9
143.08540	0.6
145.10110	0.9
146.10938	0.5
147.08017	0.5
147.11696	1.4
151.07570	1.9
153.09084	0.6
157.10103	0.9
159.11705	6.0
161.13260	100.0
162.13672	1.6
165.09132	3.7
175.14824	4.4
179.10687	0.4
179.14308	0.6
185.13269	1.2
203.14314	6.8
203.18083	0.3
221.15373	16.5
221.18756	0.7
222.15712	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1536
Annotation	Oblongolide
Peak:m/z	Relative Intensity
51.93453	1.0
53.03936	1.2
54.41710	1.0
55.05509	7.1
57.07056	2.1
67.05492	4.3
69.07073	14.2
71.41251	1.4
73.02905	1.7
79.05508	5.2
81.07044	6.4
83.04952	1.2
83.08626	5.9
91.05456	7.4
93.07050	17.3
94.67104	1.0
95.04966	2.3
95.08612	9.2
97.06519	1.3
105.07027	14.7
107.07886	1.5
107.08596	21.8
109.06527	1.3
109.10121	3.2
111.08080	3.1
112.08724	1.1
117.07004	1.2
119.08583	37.3
121.06530	2.5
121.10149	27.1
123.08025	1.2
123.11696	1.0
125.05952	1.0
131.08521	1.5
133.06462	1.3
133.10132	28.6
135.08067	1.3
135.11679	2.9
137.08249	2.1
137.09602	2.3
138.23683	1.0
139.07542	9.6
145.10121	2.4
147.08017	2.0
147.11676	4.3
149.13269	3.3
149.42105	1.0
151.07576	6.9
153.09119	3.5
160.12454	1.3
161.08195	1.9
161.09576	1.9
161.13263	2.3
165.09096	6.7
173.13286	1.9
175.14828	100.0
176.15173	1.9
177.16403	2.3
185.13382	1.4
193.15839	3.2
203.14342	9.0
206.16228	3.2
221.07484	3.1
221.11853	1.4
221.15358	34.9
221.18694	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0921
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
53.03936	0.7
55.01854	1.8
55.05484	1.5
56.96568	8.2
57.03412	1.9
57.07064	1.2
58.99833	0.5
61.02905	2.3
61.28033	0.5
67.05482	1.9
69.03410	2.2
69.07056	1.1
70.06571	1.6
71.04983	0.7
71.13976	0.5
71.14306	0.9
72.04514	1.0
72.25689	0.6
73.02910	4.7
73.04790	0.6
74.02423	1.3
75.02699	1.3
76.50951	0.5
79.05466	0.8
81.03387	1.2
81.07043	1.9
82.02927	1.9
83.04954	1.1
83.08617	1.4
84.04479	0.6
84.08115	1.0
84.96029	0.8
85.02917	4.5
87.04456	0.5
89.07982	0.7
90.05566	3.0
91.05413	1.2
91.05890	1.5
93.07032	1.7
94.06576	4.9
95.04960	0.9
95.08585	1.3
97.02914	2.9
98.02413	0.8
98.97581	16.2
99.02627	0.6
100.02474	0.6
100.97200	0.5
101.00855	2.4
103.00620	1.1
103.05472	0.9
105.07050	1.3
107.04945	2.0
107.08578	1.6
109.02900	1.5
109.06483	0.8
109.10165	1.6
110.01300	1.1
110.97566	1.7
111.04448	0.7
111.08076	3.1
112.07595	0.9
113.00861	1.5
114.01598	0.6
115.05457	1.4
116.98626	5.5
118.11638	0.6
119.01863	3.3
119.08547	1.3
120.08084	1.7
121.01678	2.0
121.06506	3.5
121.10129	0.7
123.08057	1.1
123.11699	0.6
124.99133	0.9
125.07877	0.9
127.03957	0.8
128.02301	1.1
128.98625	2.3
130.06531	75.2
131.00081	0.7
131.01891	2.0
131.06909	0.7
132.04456	41.9
133.03513	0.9
133.04729	0.7
133.10141	1.7
134.10986	0.7
134.99666	1.8
135.03146	0.7
135.08055	0.8
137.05980	1.3
137.09644	1.2
138.96506	0.7
143.00175	1.6
143.01877	1.5
146.02278	1.0
146.05980	0.6
146.99660	0.9
147.08064	0.8
147.09160	0.9
148.07578	4.0
149.01187	0.6
152.02417	0.8
153.09116	1.4
155.01871	2.0
156.97470	6.5
157.03453	1.4
157.07620	37.3
158.06018	83.3
158.99661	2.5
161.01242	1.6
161.02890	1.7
161.05905	0.9
161.09598	0.8
165.09186	0.8
170.03392	0.8
170.99646	1.0
173.01408	0.7
173.02853	2.7
174.98605	5.1
175.02708	2.0
175.08676	100.0
176.07086	3.9
176.08969	1.4
177.00722	1.7
179.02356	1.0
182.03424	1.0
185.07118	0.6
185.10039	0.9
186.05511	2.0
191.03903	2.6
193.00172	0.8
193.15874	2.2
194.08101	1.3
197.03177	0.7
198.00375	0.8
198.02695	0.7
198.04440	0.7
198.98587	1.6
200.04424	1.2
201.00752	1.0
203.02075	1.1
203.04102	0.9
203.08206	11.6
203.11092	1.0
204.06625	6.0
206.16235	1.5
216.99599	3.3
217.05597	0.6
219.01848	1.2
221.02965	11.2
221.04892	1.6
221.09271	19.7
221.11986	1.6
221.15475	2.2
221.18401	1.0
222.15065	0.6
237.02751	0.7
239.02130	0.8
239.04170	2.6
239.06198	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0922
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
54.96169	0.5
55.05449	1.1
57.07003	1.1
67.05431	1.2
69.03347	0.8
69.07006	1.3
70.06532	0.8
70.68430	1.7
73.04713	1.0
73.28188	0.5
79.05444	0.7
81.06970	2.4
81.07440	0.9
82.02855	1.9
83.08554	1.3
89.89765	0.5
91.05398	1.6
93.06993	1.4
94.06561	2.8
95.08553	1.1
103.05463	1.1
104.04949	1.0
105.06962	1.7
107.04860	0.7
107.08516	1.8
109.10083	2.4
111.07406	0.5
111.08080	4.4
115.05421	1.1
119.08525	1.6
120.08051	1.4
121.06498	2.7
121.10084	1.0
129.06946	0.7
130.06537	54.1
131.04869	0.9
132.04459	37.0
132.08806	0.8
133.10107	1.3
135.08022	1.2
135.11665	0.7
137.06081	0.6
137.09575	1.9
147.04434	1.1
147.08044	0.9
148.07600	1.1
153.09099	2.3
157.07620	24.4
158.06020	71.0
161.05992	1.0
162.05508	1.5
163.11140	0.7
165.09111	1.1
175.08679	100.0
175.14827	2.2
176.07059	2.2
176.09056	0.5
178.09451	0.9
186.05507	1.4
189.07947	0.7
193.04994	0.6
193.15933	2.2
203.08344	1.8
203.14287	0.8
204.06540	4.6
206.16248	1.7
208.05835	0.6
212.09615	0.7
216.58116	0.6
221.04549	1.0
221.09300	20.4
221.13640	0.9
221.15492	2.0
221.18742	0.9
222.05827	6.2
239.09641	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1697
Annotation	Fabianine
Peak:m/z	Relative Intensity
53.62287	0.2
54.41400	0.2
55.05517	0.4
56.96694	0.2
58.38831	0.2
69.07060	0.7
69.46570	0.9
69.46990	0.6
70.07401	0.3
79.05481	0.6
80.05807	0.3
81.07038	0.9
91.05486	0.8
92.05808	0.3
93.07017	0.8
94.05064	0.2
94.07349	0.3
95.04955	0.4
95.08594	0.4
97.06548	1.3
98.06861	0.8
105.07008	1.0
106.07392	0.3
107.08568	0.6
108.08905	0.3
118.06551	9.3
119.07271	0.4
119.08558	0.9
120.08936	0.4
121.06530	0.2
121.10117	0.4
122.06849	0.3
122.10467	0.4
123.04424	0.7
124.04802	1.1
131.08502	0.3
132.08075	2.7
132.08948	0.3
133.08846	1.3
133.10094	0.6
134.09598	0.7
134.10495	0.7
140.15514	0.2
144.08081	0.3
146.09622	2.6
146.10458	0.3
146.11482	0.2
146.35632	0.2
147.10535	0.2
147.11665	0.3
150.10022	0.3
159.11806	0.3
161.06015	0.2
161.13184	0.3
162.09137	6.5
176.10768	3.8
176.14346	27.6
177.09135	0.3
177.11476	1.1
177.12769	0.2
177.14651	0.3
190.12248	3.0
202.15923	0.4
203.14246	0.3
205.15907	0.9
220.07124	1.3
220.16959	100.0
221.15303	0.9
221.17334	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1181
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
55.01879	2.0
55.05505	0.8
57.07080	6.8
59.05003	4.2
62.27071	0.6
67.05509	6.3
69.07072	5.6
70.02959	7.3
70.37492	1.8
70.37885	1.4
72.04522	14.1
73.02924	3.3
74.02448	1.6
81.07042	1.1
82.30439	0.9
83.04971	1.7
85.06551	11.1
86.09724	1.4
86.50038	0.7
87.08101	1.8
90.05559	100.0
95.04962	7.8
96.08132	2.5
98.01834	1.3
98.02422	16.4
100.02194	1.1
100.03974	2.8
103.07588	9.8
110.91792	0.8
112.07538	0.8
113.05998	3.3
116.03462	14.9
124.07597	15.8
125.09913	0.8
142.08636	7.8
142.51520	0.7
147.75708	0.8
156.10190	1.3
158.11787	1.2
160.03241	1.0
160.09708	2.1
166.08611	2.2
174.11252	2.8
184.08182	1.3
184.09698	19.4
188.80220	0.7
202.10757	28.0
205.15936	1.7
220.09669	1.6
220.11781	26.9
220.13831	1.5
220.17841	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1744
Annotation	Occidol
Peak:m/z	Relative Intensity
53.03925	2.3
55.01855	3.7
55.05510	12.3
57.07069	1.6
60.17565	1.4
61.14186	1.3
67.05508	11.3
69.03422	2.3
69.07073	13.4
70.71242	2.3
70.71604	2.8
71.04978	4.6
79.05488	15.0
81.06602	2.2
81.07058	28.9
83.04954	2.2
83.08601	2.2
85.06541	27.0
88.19566	1.4
91.05484	22.1
93.06490	1.9
93.07045	27.3
95.04994	2.3
95.08611	19.7
95.65259	1.2
97.06513	5.9
99.08069	1.6
102.29903	1.2
103.05437	1.9
105.07035	77.8
107.08597	29.3
109.06502	4.5
109.10174	7.6
111.08080	8.4
115.05416	1.3
116.70478	1.3
117.07010	14.6
119.08585	75.4
121.06499	1.7
121.10140	17.0
123.08061	1.4
123.11705	1.8
125.09611	4.5
129.06999	6.9
130.07773	9.1
131.08580	33.5
133.10135	39.8
135.08066	2.4
135.11690	6.2
137.09532	1.9
142.07814	1.8
143.08615	6.3
144.09354	9.6
145.10124	78.9
146.10884	3.7
147.11697	9.8
148.68047	1.2
149.09586	3.1
149.13237	5.9
151.11234	2.1
157.10156	6.2
158.10896	3.9
159.11693	95.8
160.12411	3.5
161.13258	100.0
162.13646	1.8
163.11221	3.9
163.14819	1.5
171.11678	2.1
172.12442	1.9
173.13266	17.3
175.11281	1.3
175.14818	25.6
177.12726	3.5
177.16345	2.9
177.68971	1.5
179.51866	1.3
191.14458	1.5
200.40990	1.4
201.12843	2.7
201.16396	49.6
201.59882	2.2
203.14313	11.2
206.88260	1.5
207.36125	1.5
219.13843	8.1
219.17441	90.9
220.17847	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	219.1744
Annotation	(-)-Taylorione
Peak:m/z	Relative Intensity
53.03933	4.5
53.31646	1.1
55.01878	6.1
55.05512	11.9
57.03444	1.9
57.07069	3.3
63.75325	1.1
66.30463	1.2
67.05502	16.1
69.03416	3.8
69.07067	31.4
69.57270	7.3
71.04996	18.5
77.03942	1.8
79.05493	29.1
81.06599	1.9
81.07057	36.5
83.04974	5.8
83.08609	4.9
85.06522	3.6
89.03951	1.4
91.05480	24.1
93.07043	29.3
95.04965	10.8
95.08064	1.7
95.08611	18.9
96.35945	1.3
97.06532	68.1
97.10172	3.0
99.08100	2.0
103.05499	1.4
105.03364	2.0
105.07035	66.4
106.07330	1.4
106.73072	1.1
107.04930	3.2
107.08596	29.6
109.06529	5.8
109.10163	12.3
111.08079	4.2
111.12910	1.5
115.05457	3.6
117.07011	10.1
118.06548	4.3
119.08589	31.8
121.06502	5.6
121.09328	2.3
121.10142	24.4
123.04430	66.4
123.08057	7.3
123.11682	4.5
125.09621	17.8
127.11174	1.6
128.06161	1.7
129.07011	3.0
130.07806	3.8
131.08571	18.4
133.10133	100.0
135.08078	2.2
135.11705	11.2
137.09604	5.5
139.11214	1.9
143.08496	1.9
144.09341	2.7
145.06453	3.8
145.10124	28.5
147.11699	19.9
149.05946	1.7
149.09604	5.0
149.13194	3.5
151.11163	2.4
157.10149	2.5
158.10963	1.6
159.11707	35.4
160.05232	1.8
161.09622	2.4
161.13248	21.9
162.09152	2.7
163.07452	1.9
163.11143	6.6
173.05960	3.8
173.13252	8.4
175.14842	9.2
176.10699	2.2
176.14328	11.9
177.05464	4.8
177.12746	3.0
177.16379	3.5
191.17970	2.3
192.59456	2.2
201.05492	3.5
201.12685	1.4
201.16386	29.8
201.59921	7.4
203.14326	8.6
219.06621	17.1
219.10155	38.3
219.13847	5.4
219.17442	95.7
220.16936	43.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1743
Annotation	Dihydromylione A
Peak:m/z	Relative Intensity
51.52149	0.6
53.03939	0.7
55.05508	6.8
56.55465	0.5
57.03417	1.0
57.07059	2.2
59.04992	2.1
67.05505	9.4
67.19730	0.6
69.03420	1.0
69.07066	22.0
69.21681	4.5
69.22090	1.4
71.04993	3.0
79.05499	5.9
81.07056	12.3
83.04959	1.8
83.08610	4.5
85.06538	1.9
91.05482	6.3
91.59251	0.5
93.05195	0.5
93.06495	0.7
93.07050	13.2
95.04963	2.9
95.08610	17.8
97.06527	2.2
97.10141	2.8
98.21468	1.2
105.07031	15.9
105.84314	0.5
107.04926	0.7
107.08595	19.9
109.06518	4.3
109.10155	19.5
111.08054	1.7
117.07023	4.4
119.08578	17.7
121.06492	2.4
121.10143	18.8
123.08048	2.7
123.11693	4.5
125.09619	2.4
126.37362	0.5
129.06946	1.1
130.07813	1.1
131.08577	7.5
133.10129	10.1
135.08052	4.4
135.11691	13.1
137.09619	9.1
137.13255	2.2
143.08572	1.0
144.09372	0.9
145.10120	15.4
147.08139	0.6
147.11676	5.9
149.09610	6.9
149.13300	4.8
151.11157	1.8
157.10130	0.8
159.11696	12.3
160.12370	0.9
161.09631	0.9
161.13254	10.1
161.14581	0.5
163.11177	15.0
163.13286	0.7
163.14844	1.6
173.13264	4.1
175.14819	7.1
177.12762	3.5
177.16321	2.0
189.12846	1.1
191.17946	6.5
201.14616	1.0
201.16391	14.7
203.14307	7.0
205.15823	0.7
219.13884	3.3
219.17438	100.0
220.17856	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.138
Annotation	7-Oxo-14-nor-4-isocedren-15-al
Peak:m/z	Relative Intensity
51.07459	0.7
53.03919	0.7
53.53086	0.6
55.05511	4.0
57.07063	0.8
58.17513	0.7
67.05511	4.7
69.03413	1.7
69.07055	4.5
71.04997	3.5
71.09602	1.9
79.05505	5.6
81.06596	0.9
81.07062	14.2
83.04945	1.3
83.08596	1.0
85.06568	0.7
88.72340	0.6
91.05482	8.8
93.06489	1.0
93.07047	10.8
95.04952	1.9
95.08604	6.3
95.88038	0.8
97.06509	3.4
97.37000	0.7
105.07032	18.8
107.04990	0.8
107.08597	17.5
109.06516	2.8
109.10162	4.3
111.04438	5.4
111.08034	1.4
115.05459	1.4
117.07033	7.1
119.08582	22.7
121.06506	3.6
121.10148	11.8
123.08078	1.4
128.06192	1.0
129.06964	3.4
130.07780	2.0
131.08578	21.3
132.09401	0.8
133.10143	14.7
135.08057	9.2
135.11670	3.9
142.07776	1.7
143.08594	3.8
144.09351	9.9
145.06502	1.6
145.10136	11.9
147.11694	10.6
149.09593	3.1
149.13260	7.9
151.07457	0.8
155.08601	0.9
157.10168	6.5
158.10933	4.6
159.08102	8.2
159.11696	100.0
160.12277	0.8
161.09644	2.0
161.13255	1.9
163.07529	2.9
163.14824	2.6
173.13271	35.5
175.11177	2.0
175.14839	9.1
177.09142	5.3
177.12750	13.2
183.11693	2.2
186.10475	0.9
191.14305	12.3
201.12740	15.2
201.16347	1.0
201.59993	1.2
203.14282	4.5
219.13828	46.8
219.17323	17.4
220.14160	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	5.2
56.62249	1.1
57.03426	1.0
61.02930	22.8
67.05485	1.4
69.07027	1.1
70.37695	3.2
70.47920	1.0
71.01357	42.6
72.56277	1.0
75.04483	58.8
79.05510	1.8
84.99227	1.1
87.04468	17.4
89.02396	9.2
91.05499	1.5
98.97601	3.1
99.89734	1.0
103.03946	70.2
107.04887	1.2
116.98596	1.4
119.08595	2.1
121.10135	1.7
131.03401	12.1
133.10085	1.3
136.05234	1.5
137.05957	2.7
141.57573	1.0
148.05185	1.0
159.02901	100.0
187.02376	10.2
192.59386	7.0
201.59944	14.5
202.10056	2.0
203.14294	6.6
219.04912	7.5
219.11589	1.3
219.14005	1.1
219.17464	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	219.1017
Annotation	5,6-Dimethoxy-2-isopropenylbenzofuran
Peak:m/z	Relative Intensity
50.49490	0.7
53.03951	3.4
54.31743	0.8
55.01873	8.5
55.05520	3.7
57.03437	1.5
61.66012	0.6
65.99100	0.8
67.05515	8.7
69.03441	3.0
69.07072	28.8
70.49050	2.8
71.04989	2.0
77.03937	2.9
79.05498	30.6
79.22417	0.9
81.07068	5.5
83.05009	0.9
83.08621	1.2
91.05492	6.0
93.07056	5.6
95.04996	3.8
95.08607	4.5
97.06538	96.6
98.02073	0.7
103.05495	1.1
105.03391	1.9
105.04503	1.6
105.07037	12.6
107.04980	1.9
107.08575	5.1
109.06498	1.2
109.10161	2.5
111.08054	0.8
115.05476	1.4
117.07022	4.3
119.08594	8.6
121.06491	0.9
121.10152	7.5
123.04436	100.0
124.04716	1.0
125.09641	1.1
128.06248	1.1
129.06999	1.1
131.08571	6.6
133.06512	1.1
133.10139	15.2
135.04404	1.0
135.08057	0.9
135.11682	3.5
140.14600	0.7
143.08536	1.7
145.06465	1.7
145.10135	6.2
147.08081	1.4
147.11710	4.9
149.09613	1.3
149.13277	1.3
158.11011	1.0
159.11711	12.1
160.05243	1.4
161.09671	0.7
161.13264	3.7
163.11209	1.8
165.38762	0.8
173.13287	4.9
175.07553	3.7
175.11357	1.0
175.14833	2.1
177.09184	1.3
177.12711	2.2
177.65865	0.7
189.09052	0.9
192.59415	1.4
198.26138	0.7
201.09169	0.9
201.12773	2.5
201.16400	5.7
201.59874	1.6
203.14330	4.5
219.10172	56.6
219.13805	4.7
219.17439	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	219.0267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77090	11.6
64.99326	12.5
69.61543	100.0
86.92991	13.1
98.97585	17.5
156.85272	12.8
212.62825	14.6
219.02646	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	218.1177
Annotation	SECURININE
Peak:m/z	Relative Intensity
55.05497	0.7
69.70460	1.6
70.06586	0.5
72.08146	0.3
74.98882	0.3
82.06561	0.5
82.44090	0.2
83.04992	0.3
84.05304	0.8
85.02919	0.3
88.11301	0.3
90.36902	0.3
91.05481	1.1
98.20820	0.4
102.06358	0.4
105.06977	0.3
111.04447	1.2
112.04781	1.1
115.05415	0.8
116.04975	0.5
119.04912	0.4
120.34495	0.3
123.04469	0.3
128.06230	0.3
129.06996	0.5
134.06042	0.7
135.04385	0.5
137.05988	2.1
143.08548	0.3
145.06502	0.4
146.06032	0.4
153.06943	0.3
154.07706	0.3
155.07195	0.5
155.08553	1.9
156.07275	1.5
157.06511	0.3
157.08908	0.4
160.05144	0.7
160.07629	0.5
161.05942	0.3
162.05531	2.4
163.06320	1.7
172.07529	0.5
172.09758	0.6
172.11240	1.4
173.05956	1.2
173.08180	0.6
174.08430	1.2
175.07510	0.4
176.07077	0.8
177.07877	2.6
183.08060	0.4
184.07632	0.5
185.08330	1.1
186.06674	0.4
186.09164	2.4
188.07010	0.5
189.07829	0.9
190.08575	0.3
190.12146	0.5
200.10750	1.9
200.12381	0.3
201.05536	0.5
201.13141	0.7
202.08641	11.6
203.09407	1.2
216.10226	0.5
218.11774	100.0
219.12120	1.4
219.17331	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1952
Annotation	CHEBI:73881
Peak:m/z	Relative Intensity
53.03937	1.6
55.05514	40.7
57.07066	2.4
59.04998	2.1
67.05511	44.2
69.03416	3.4
69.07072	10.5
70.80463	1.3
70.80820	1.5
73.02900	3.2
78.01894	0.9
79.05500	38.3
81.07064	31.6
83.04985	42.3
83.08221	1.1
83.08621	11.9
85.06533	3.6
87.04470	4.7
89.02389	5.2
89.06039	6.9
91.04913	1.6
91.05482	25.7
93.07053	52.0
94.07372	1.2
95.05015	1.2
95.08617	32.7
97.10189	4.6
99.04458	3.5
101.06021	18.3
105.06400	1.7
105.07046	20.8
105.67713	0.9
107.08606	28.7
109.10171	16.9
111.04447	59.9
113.06019	8.3
117.07011	1.8
119.08586	21.3
121.10152	91.0
123.11708	5.6
127.07557	10.2
129.05481	12.5
129.07007	2.7
131.08591	2.7
133.10139	25.5
135.11703	93.9
137.05992	1.5
140.62675	0.9
142.07771	1.2
143.08595	2.0
145.10112	1.8
147.08040	1.5
147.11682	21.4
149.13272	9.1
155.07040	85.8
156.07399	2.3
157.10141	3.1
159.11691	3.0
161.05983	2.6
161.09613	3.0
161.13266	19.4
171.11684	1.7
173.08113	43.2
173.13213	1.4
175.11203	1.5
175.14836	9.8
189.12804	1.1
189.16383	2.8
199.09628	4.6
199.11359	1.8
199.14851	3.1
217.08925	1.1
217.10663	42.5
217.15909	12.0
217.19524	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1589
Annotation	(S)-2,2,3-Trimethyl-3-(4-methylphenyl)cyclopentanone
Peak:m/z	Relative Intensity
50.78006	0.3
55.01867	0.3
55.05511	6.8
57.07064	0.4
59.04989	0.4
59.42928	0.3
59.73493	0.3
67.05499	1.6
69.03426	0.5
69.07056	1.0
70.82982	0.4
70.83312	0.5
71.04987	1.1
74.56875	0.3
79.05491	0.7
81.07047	1.8
83.04982	9.3
83.08601	0.7
84.49952	0.3
85.06544	0.8
87.04458	0.6
89.02385	1.0
89.06053	1.5
91.05491	2.6
93.07052	1.5
95.08605	1.6
99.04474	0.5
101.06030	3.0
104.30538	0.4
105.07037	7.3
107.08594	1.0
109.10133	1.0
111.04449	12.8
113.06015	2.0
115.05449	0.9
116.06307	0.4
117.07025	4.4
119.08587	7.1
121.10123	0.8
127.07533	1.3
128.06206	1.6
129.05537	1.5
129.07011	4.7
130.07774	1.3
131.08569	9.2
133.10161	2.1
135.11679	0.5
137.05963	0.6
137.09647	0.5
141.07024	1.0
142.07791	6.3
143.08565	4.6
144.09349	9.9
145.10110	1.3
147.01894	0.3
147.08055	0.4
147.11702	1.6
155.07042	15.8
156.09335	1.1
157.10130	14.6
159.11694	100.0
160.12018	1.0
161.05992	0.4
161.09636	1.3
161.13287	0.9
169.10199	0.4
170.10901	0.7
171.11702	2.7
173.08098	9.1
173.09532	0.6
173.13272	1.9
175.07544	0.7
175.11188	1.6
175.14830	1.5
184.12459	0.4
199.09673	1.2
199.14822	7.0
217.04869	0.6
217.08792	0.4
217.10629	6.6
217.12364	1.0
217.15880	8.5
217.19287	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1589
Annotation	(+)-Nuciferal
Peak:m/z	Relative Intensity
53.03936	1.9
55.01860	2.2
55.05514	30.3
57.03422	1.3
59.04992	3.0
65.03933	1.2
67.05507	9.9
69.03426	4.8
69.06734	1.5
69.07069	19.6
69.31898	2.1
69.32306	6.9
71.04982	1.3
73.02876	1.1
73.06561	1.1
77.03924	1.0
79.05492	6.6
81.07061	12.1
82.05712	0.9
83.04983	39.4
83.08629	5.5
85.06506	3.4
87.04456	3.7
89.02388	4.3
89.06041	6.2
91.05485	12.8
91.69923	0.9
93.07043	12.2
95.04973	11.1
95.08607	15.7
97.06534	3.5
99.04451	2.7
101.06023	12.9
103.05454	1.0
105.07039	27.6
107.08585	16.5
108.55823	1.1
109.06532	7.6
109.10155	11.3
111.04445	49.2
111.08090	3.5
111.11681	2.2
113.06004	6.2
115.05471	3.0
117.07005	5.4
119.08585	56.0
120.08875	1.0
121.06483	4.0
121.09336	1.8
121.10151	22.7
123.08064	4.3
127.07557	7.6
128.06216	4.0
129.05496	8.1
129.07024	6.3
130.07727	1.7
131.08574	15.0
133.06548	4.7
133.10136	25.4
134.73506	0.8
135.08064	2.9
135.11729	4.9
137.05977	1.8
137.09621	1.7
141.06967	0.9
142.07759	4.2
143.08578	11.5
145.06435	1.1
145.10132	12.9
146.07237	1.7
147.08040	9.3
147.11693	13.4
148.08817	3.0
149.09650	4.4
149.13188	1.3
155.07040	60.7
156.09332	3.4
157.10135	18.3
158.10915	2.8
159.08026	1.1
159.11697	12.7
160.08800	2.0
161.05974	1.9
161.09634	20.3
161.13264	4.6
169.10129	2.2
170.10919	2.0
171.11725	7.2
173.08121	36.5
173.13269	17.0
174.06757	2.9
174.10411	2.2
175.11211	10.0
175.14801	8.2
184.12427	3.2
187.11200	2.2
187.14827	4.5
189.09116	27.2
189.12706	2.5
189.16365	10.1
199.09703	3.1
199.11366	1.0
199.14833	18.1
202.13484	1.4
205.29137	0.9
217.01625	0.9
217.05028	1.9
217.08627	7.3
217.10715	28.9
217.15881	100.0
217.19400	4.7
218.16098	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1588
Annotation	R-(-)-alpha-Cuparenone
Peak:m/z	Relative Intensity
53.03943	0.5
55.05515	5.5
57.07069	0.3
59.04984	0.3
67.05509	1.8
69.03416	0.5
69.07061	0.8
70.19203	0.6
70.19567	0.6
71.04995	0.6
73.06544	0.4
77.41016	0.3
79.05483	0.5
81.07049	1.7
83.04983	7.8
83.08604	0.6
85.06535	0.6
87.04463	0.9
89.02412	0.6
89.06031	1.4
91.05467	1.8
93.07055	1.4
95.04958	0.5
95.08620	1.3
98.43107	0.3
99.04456	0.5
101.06020	2.8
105.07031	7.1
107.08588	1.1
108.95528	0.2
109.10143	0.3
111.04440	11.1
111.08064	0.4
113.06003	1.1
115.05445	0.6
116.06234	0.3
117.07016	4.6
119.08582	7.4
121.10145	0.6
127.07543	1.4
128.06195	1.4
129.05472	1.5
129.06993	4.6
130.07784	1.1
131.08569	9.9
133.10143	1.5
141.06970	0.5
142.07771	5.5
143.08571	5.2
144.09343	10.0
145.10109	1.5
147.08003	0.6
147.11691	1.5
155.07040	12.6
155.08313	0.5
156.09369	1.5
157.10124	14.2
158.10735	0.4
159.11691	100.0
160.12048	1.1
161.05989	0.3
161.09618	1.5
161.13222	0.5
163.05591	0.3
166.29327	0.2
169.10207	0.7
170.10870	0.3
170.94788	0.3
171.11688	2.4
173.08090	6.9
173.09549	0.5
173.13319	1.7
175.11215	1.2
175.14845	1.2
184.12439	0.6
189.09117	0.3
197.13312	0.3
199.09657	0.8
199.11391	0.3
199.14796	6.9
217.10661	6.8
217.15881	10.1
217.19453	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1588
Annotation	(+)-Anhydro-beta-rotunol
Peak:m/z	Relative Intensity
55.01871	2.9
55.05515	36.1
57.07084	10.3
57.45160	1.4
59.05007	2.5
65.03947	2.0
67.05511	18.8
69.03436	3.9
69.07079	14.3
69.24708	14.6
76.79086	1.4
79.05502	24.1
81.07066	33.4
83.04495	2.9
83.04987	38.6
83.08619	7.1
87.04462	4.0
89.02396	4.8
89.06031	6.3
91.05483	17.4
93.07051	34.5
95.04967	2.4
95.08622	23.9
97.06536	1.9
97.10184	4.2
99.04402	1.6
101.06022	12.0
103.05521	2.1
105.07042	53.1
107.04954	4.0
107.08607	19.7
109.06531	16.6
109.10172	8.8
111.04451	51.0
113.06001	5.2
117.07031	4.9
119.08598	30.0
121.06502	4.6
121.10159	100.0
123.08082	14.8
123.11755	3.7
127.07555	5.7
128.06230	6.7
129.05493	10.7
129.07022	6.2
131.08586	12.2
133.06465	2.9
133.10155	42.5
135.08093	2.6
135.11705	32.9
137.06006	3.3
137.09573	2.0
142.07838	6.6
143.08568	21.6
144.09372	2.4
145.10165	11.9
146.07268	4.9
147.08076	17.5
147.11717	17.2
148.08818	2.0
149.09610	2.6
149.13269	4.2
155.07053	59.2
157.10156	21.8
159.08121	1.9
159.11696	13.7
161.09634	74.0
161.13290	9.4
169.10182	2.1
171.11717	7.5
171.67455	1.6
173.08124	32.3
173.13319	5.8
174.10411	2.3
175.11211	23.4
175.14882	5.4
184.12511	3.4
189.12834	5.0
189.16393	10.8
199.09767	2.9
199.14844	45.8
217.10649	28.6
217.12323	2.8
217.15913	93.2
217.19392	27.5
228.10568	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1586
Annotation	(+)-Nuciferal
Peak:m/z	Relative Intensity
50.77802	0.7
53.03950	2.0
55.05516	11.6
56.05022	0.7
57.07064	1.0
62.47617	0.7
67.05505	4.3
69.07072	23.8
70.82918	1.8
79.05504	8.1
81.07058	6.0
82.25657	0.7
83.04989	6.7
83.08629	4.5
87.04489	1.2
89.05964	0.7
90.47917	0.7
91.05486	34.0
93.07048	10.0
95.08610	9.7
98.72215	0.8
101.06030	2.5
103.05477	2.8
104.06226	1.0
105.07037	70.6
106.07403	0.7
107.08601	19.7
109.10173	3.7
110.07175	0.7
111.04448	10.2
113.06004	1.2
115.05471	1.4
117.07029	8.2
118.07833	1.6
119.08586	84.4
121.10152	13.4
123.08068	0.9
123.11689	1.0
125.95668	0.8
127.07572	2.1
127.77782	0.8
129.05505	1.8
129.07047	1.2
131.08574	28.7
133.10136	100.0
134.07114	1.0
135.06688	2.1
135.11711	1.0
136.07495	1.2
143.08481	1.8
145.10120	12.6
146.10913	44.8
147.11697	62.3
148.12196	0.8
149.08250	1.5
155.07053	14.2
157.10159	1.6
159.11656	2.2
161.09616	4.0
161.13297	6.5
173.08122	6.5
175.09831	1.3
175.11214	1.7
175.14745	1.0
176.09254	0.9
177.10042	0.9
189.16405	21.6
199.11371	0.8
199.14828	3.1
217.10408	7.7
217.12309	3.2
217.15891	49.2
217.19490	4.4
218.16110	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1008
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02994	2.6
55.05510	4.4
56.02692	0.4
56.03308	0.6
57.07075	13.2
59.04992	0.4
67.05482	0.7
69.00909	3.2
69.03448	0.4
69.07053	0.5
70.01265	0.6
70.67188	0.3
71.36139	0.6
72.08141	0.6
73.02900	0.3
73.87486	0.3
75.00189	2.8
79.05478	0.7
80.05840	0.4
81.07053	0.4
83.04981	5.6
83.08604	0.4
87.04460	0.5
88.94163	0.3
89.02371	0.4
89.06028	1.0
91.05473	0.5
93.07039	0.7
95.08599	0.5
97.07649	0.3
99.04429	0.4
101.06022	2.6
105.07030	0.8
106.06548	4.2
107.06215	0.5
107.06881	4.3
107.08591	0.4
110.99593	0.3
111.04440	7.9
113.06003	1.0
118.99124	100.0
119.08569	0.6
121.10120	1.1
126.33813	0.3
127.07590	1.1
129.05487	1.4
129.06950	0.4
131.08604	0.4
133.10150	0.4
135.11725	0.3
147.11703	0.3
155.07021	10.4
157.10109	0.5
159.11758	0.4
161.03799	18.2
161.09641	0.4
169.03453	0.4
173.08099	6.0
175.05370	3.4
175.11296	0.4
199.09711	0.7
199.14792	0.6
217.10588	7.3
217.12627	0.3
217.15865	2.2
217.19469	0.6
221.81517	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	216.1232
Annotation	(+)-Monascumic acid
Peak:m/z	Relative Intensity
55.01868	3.4
55.05504	4.0
56.05025	3.1
57.13414	0.8
66.52995	0.8
67.74226	0.7
69.68533	2.4
69.68937	2.6
71.08636	22.8
71.34063	0.9
72.04524	22.7
73.02924	1.2
82.02943	21.3
83.04969	4.4
84.04504	2.3
85.02896	1.3
88.11275	13.1
91.05493	1.1
100.03986	82.5
101.02376	2.8
101.06043	2.1
111.04462	8.0
113.05988	1.3
114.05537	1.1
127.07517	1.5
128.03445	80.2
129.05522	1.5
132.95906	1.0
142.04987	1.4
142.12277	2.0
146.04504	11.5
155.07027	11.1
156.07736	4.0
170.11772	57.1
173.08144	5.2
174.08755	2.7
192.97673	0.8
198.11394	1.5
199.08214	1.4
216.12346	100.0
217.08818	1.4
217.10771	5.5
217.12622	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0861
Annotation	CHEBI:70632
Peak:m/z	Relative Intensity
52.44789	0.2
55.01829	0.3
55.05445	4.3
55.05732	0.5
59.04955	0.5
67.05431	1.2
68.99778	1.2
69.03372	0.5
69.06996	2.1
70.18034	0.5
70.18433	0.4
73.06430	0.2
79.05414	0.8
81.07028	1.1
83.04982	5.8
83.08549	0.7
85.06501	0.4
87.04418	0.5
89.02331	0.5
89.06016	0.5
89.81989	0.2
91.05483	2.2
93.06973	1.0
94.78424	0.2
95.04907	0.7
95.08620	1.4
99.04421	0.4
101.06026	2.3
103.05428	0.4
105.07031	3.5
107.08641	1.3
109.06455	0.6
109.10098	0.9
111.04446	9.2
111.08022	0.5
113.06013	1.2
115.05456	2.2
117.07008	1.7
119.08584	5.7
119.86192	0.2
121.06490	0.4
121.10144	1.4
123.08018	0.5
127.07489	0.9
128.06235	4.4
129.05417	1.0
129.07011	3.7
130.07762	0.4
131.04852	0.9
131.08562	1.9
132.05598	0.3
133.06488	2.7
133.10130	2.6
135.07996	0.2
135.11673	0.3
142.07722	0.7
143.08553	1.4
145.06487	2.0
145.10143	1.4
146.07294	1.1
147.07991	1.0
147.11642	1.0
149.09575	0.6
155.07045	10.6
156.05713	2.3
156.09271	0.6
157.06461	0.8
157.10152	1.3
158.10846	0.4
159.04385	0.6
159.11691	1.6
161.05928	0.6
161.09674	1.8
161.13194	0.7
171.08041	1.1
171.11690	0.8
173.05956	2.6
173.08081	6.0
173.13255	1.6
174.06770	10.4
175.11172	0.9
175.14816	0.9
187.14774	0.5
189.09109	100.0
189.16435	0.7
190.09438	1.5
199.09663	0.9
199.14842	1.4
217.08641	35.1
217.10693	4.9
217.15863	9.5
217.19313	0.5
218.09048	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	216.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.5
53.03936	1.2
55.02999	31.4
55.05501	1.2
56.05010	0.4
57.07078	2.6
61.21638	0.3
69.00916	39.9
70.94094	0.8
72.08134	0.4
75.00195	0.8
77.03926	0.6
78.04716	0.4
79.05067	0.6
79.05495	6.0
80.92473	0.3
83.04987	2.4
84.04500	0.7
86.69680	0.3
89.02399	0.4
91.05466	0.4
92.90694	0.3
95.04991	0.9
97.07653	3.8
98.98441	0.4
101.06022	0.6
104.04990	0.3
105.04517	0.9
105.07043	1.0
106.06557	100.0
107.06902	1.0
110.19292	0.3
111.04449	2.9
111.05559	0.8
117.07085	0.4
118.99130	23.3
119.08586	1.1
120.04469	1.1
126.09147	0.4
127.07583	0.5
131.06042	1.2
132.04462	1.2
133.07652	0.7
139.01895	0.4
143.08621	0.4
145.08925	0.5
145.10130	1.2
147.08145	0.4
148.11201	0.6
152.11116	0.4
155.07014	2.9
161.03822	3.4
173.08174	1.2
173.09538	0.4
174.06625	3.2
175.05368	0.6
188.10779	0.4
198.11230	0.7
201.12881	0.3
216.06949	0.4
216.10072	7.1
216.18233	0.8
217.10654	1.9
238.84549	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41105	0.7
54.23674	0.7
56.96569	5.9
58.06586	1.8
61.02925	1.1
69.07070	15.6
69.78841	2.6
69.79252	1.2
70.98132	1.2
74.27950	0.7
81.06857	0.7
82.99841	7.2
86.09710	66.3
97.06540	10.3
98.97585	4.7
100.02481	4.5
101.00887	59.9
102.00942	0.9
110.14495	0.8
115.02391	0.9
116.98611	1.3
118.03518	11.1
119.01926	100.0
120.01984	1.4
128.98595	1.7
131.01910	1.7
137.01982	1.3
137.02956	15.3
137.04546	0.8
137.35811	0.8
142.03534	0.8
142.62035	0.8
144.05089	1.7
144.08699	2.5
155.05592	1.0
158.06627	1.1
162.09776	1.6
166.40691	0.8
168.08716	6.0
172.08165	1.1
172.94366	1.0
173.02974	1.2
173.06654	1.3
186.08095	2.1
186.09767	43.3
187.09895	0.9
188.51511	0.7
190.98672	1.3
191.03905	1.1
194.80554	0.9
196.08171	1.9
197.06622	4.4
204.10820	10.5
211.49834	0.9
214.05975	1.1
214.09256	27.1
215.07646	5.4
232.10332	45.6
233.08702	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	216.1018
Annotation	FO 2407
Peak:m/z	Relative Intensity
51.02380	0.1
53.03934	0.1
54.03458	0.1
54.26245	0.1
55.01865	0.3
59.27493	0.1
64.33413	0.1
65.03954	0.1
67.05508	0.3
68.05030	0.2
69.51122	0.4
69.51522	0.2
78.04739	0.1
79.05495	0.3
82.02967	0.1
83.04982	0.1
89.61788	0.1
91.05488	3.1
93.07059	0.3
95.04972	0.1
96.04503	0.1
103.05490	0.6
104.06261	0.2
105.07038	10.1
111.04472	0.1
111.19141	0.1
115.05463	1.5
116.06255	0.5
117.07027	4.9
119.08589	11.4
124.03973	1.2
128.05273	0.1
128.06230	2.8
129.07022	2.8
130.06587	0.8
130.07794	9.7
131.04979	0.2
131.07329	0.4
131.08569	1.3
132.05690	0.4
132.08116	0.1
133.06505	1.2
133.07491	0.2
133.10153	0.7
138.05522	0.1
141.07005	0.3
143.07716	0.1
143.08571	5.6
144.08075	0.7
145.06508	0.4
145.08894	7.4
145.10139	18.7
146.09641	0.3
147.08052	3.3
153.06978	0.5
154.06557	0.2
154.07716	0.1
155.06020	0.3
155.07274	0.5
155.08582	1.6
156.05669	0.1
156.08018	0.1
157.06517	0.3
157.07664	0.1
157.08897	0.1
158.07283	3.5
158.09529	0.1
159.10449	0.3
160.05254	0.2
160.07585	0.2
160.11232	4.4
170.09654	1.0
171.08049	0.6
172.07553	0.2
172.11276	0.1
173.08354	2.9
173.09666	2.5
174.09128	0.2
182.06116	0.1
183.06805	1.4
184.05241	0.1
185.04863	0.1
186.05495	0.1
186.09067	0.1
188.07118	0.3
188.10721	6.3
198.09149	0.6
199.07574	0.5
200.07076	0.1
201.07838	0.7
214.08665	0.2
216.10211	100.0
217.10532	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.4
55.05515	3.8
56.96553	0.6
57.03434	0.6
57.07080	4.2
57.59551	0.6
65.03941	1.0
65.84884	0.5
67.05501	1.7
69.03439	0.9
69.07076	6.0
70.06573	0.7
79.05491	5.3
81.03400	2.0
81.07073	2.9
83.04937	0.9
83.08607	2.4
85.02892	1.0
88.07627	3.4
91.05483	6.9
92.62937	0.6
93.07059	5.9
95.04955	1.5
95.08604	2.8
97.02860	0.7
97.06537	0.6
97.10153	0.6
99.04384	0.6
101.42580	0.5
103.05476	1.4
105.07037	41.6
107.04960	1.0
107.08596	7.0
109.02870	1.4
109.06546	0.5
110.03631	1.3
115.05457	1.8
117.07023	3.2
119.08594	36.6
121.06512	0.8
121.10153	8.3
125.02319	1.0
125.09676	0.6
127.03924	4.1
127.12744	0.6
128.06236	9.0
129.07022	9.1
130.96289	0.7
131.08563	3.8
133.10146	6.0
134.26471	0.5
139.07576	1.4
141.06992	3.3
142.07793	14.1
143.08571	50.3
143.72969	0.5
144.92946	0.6
145.10146	4.5
155.08551	3.3
156.09360	12.7
157.10143	50.7
158.10851	1.7
159.11734	1.1
160.04805	0.6
161.26158	0.5
165.06944	1.5
167.07127	1.0
167.08574	0.9
169.10133	2.9
170.10982	3.3
171.11705	44.3
172.12422	1.2
172.16919	1.3
180.09280	0.5
183.07986	0.7
183.11699	4.8
184.12495	2.9
185.13287	5.9
195.06554	1.1
195.08171	1.1
195.11667	1.5
196.51920	0.6
198.10489	1.4
198.14056	4.9
200.67856	0.7
212.18237	0.6
213.03926	1.5
213.09195	1.1
213.12790	6.6
213.16400	100.0
214.16753	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1486
Annotation	(-)Helicascolide B
Peak:m/z	Relative Intensity
50.78562	1.0
53.03933	2.8
53.65236	1.0
55.01634	1.1
55.01876	15.2
55.05513	76.3
56.33061	0.9
57.03437	2.1
57.07058	0.9
59.04985	2.6
67.05505	26.2
69.03434	7.9
69.07069	14.5
69.77132	5.0
70.54176	1.1
70.71819	0.9
71.04996	72.7
79.05495	22.1
81.03410	2.2
81.06598	1.7
81.07059	32.9
83.04989	5.7
83.08622	42.1
85.06554	7.1
87.04475	10.0
91.05466	7.4
93.07044	17.8
95.04955	1.4
95.08614	9.6
95.65372	1.0
97.06534	100.0
97.10172	64.1
97.10726	1.0
99.08070	1.3
101.05993	1.4
101.09659	1.6
105.07010	5.6
107.07892	1.3
107.08593	21.2
109.10163	12.6
109.63279	1.1
111.08066	3.8
114.65733	0.9
117.07022	5.6
119.08583	2.7
121.06503	2.7
121.10136	3.9
123.08067	1.0
125.09637	41.2
127.03922	2.3
127.17756	0.9
129.06979	1.1
131.08578	5.3
133.10149	5.7
135.08051	5.0
135.11717	6.4
142.07758	1.6
143.08542	1.6
143.10693	1.4
147.11699	1.3
149.09567	1.5
149.13255	4.7
153.09096	1.7
156.09274	0.9
157.10094	3.4
159.11691	6.7
165.12848	0.9
167.08507	1.5
171.10124	2.9
171.11681	4.7
177.12727	7.0
189.11229	5.9
194.65253	0.9
195.07977	1.1
195.11990	2.0
195.13811	41.4
213.05571	1.3
213.14830	94.7
214.15195	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1485
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03947	1.7
55.05512	18.5
56.96566	0.9
57.03440	2.0
57.07074	11.1
67.05508	5.7
69.03430	2.5
69.07059	6.6
70.06577	0.9
71.05002	1.7
71.08604	1.1
75.60160	0.8
79.05085	0.8
79.05478	4.7
81.07051	6.7
83.04977	9.9
83.08605	2.5
85.06557	4.9
88.07622	4.3
90.87180	0.8
91.05490	4.6
93.07053	17.7
94.06544	0.9
95.04977	3.0
95.08614	13.8
97.06535	6.5
97.10151	0.9
105.07043	9.0
107.04961	1.5
107.08599	22.2
109.06516	3.7
109.10137	3.3
111.04446	100.0
111.08059	4.3
113.06046	2.6
117.07022	1.6
119.08588	4.8
121.06509	3.4
121.10152	3.7
122.07294	1.4
123.08098	1.6
125.05070	1.4
125.05998	28.7
125.09663	0.9
127.07566	2.7
128.06248	2.3
129.06985	2.8
130.07791	1.6
131.08583	1.7
133.10168	1.3
135.08067	16.1
135.11693	22.4
139.07567	4.7
141.07039	1.5
142.07791	4.0
143.08562	9.0
145.10135	19.3
153.12755	6.2
155.08577	1.7
156.09390	2.2
157.10146	14.0
163.11183	22.5
165.07022	1.4
167.08566	1.3
169.10204	1.2
170.10896	1.3
171.08128	1.4
171.11688	9.0
181.12242	43.6
183.11674	0.9
185.09634	0.9
185.13268	2.4
192.90367	0.8
195.06471	1.0
195.08080	1.4
195.11838	1.7
195.13809	4.0
198.10439	1.4
213.09120	1.9
213.12750	5.7
213.14697	1.8
213.16418	15.9
213.18413	1.8
214.08760	1.2
229.72963	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.077
Annotation	2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridine-6-carboxylic acid
Peak:m/z	Relative Intensity
54.28193	0.5
54.83004	0.7
56.96576	3.4
57.03437	1.6
61.02912	0.9
69.03436	7.6
69.07070	0.8
70.06596	1.2
71.41991	0.7
73.02927	2.8
75.65392	0.6
82.06585	0.7
84.08153	3.9
85.02896	2.8
92.07426	0.5
97.02876	2.5
98.06065	4.0
98.97588	7.4
101.00871	1.1
101.70490	0.6
102.01556	0.7
110.01261	1.0
110.97588	3.8
112.07614	60.2
116.98613	2.3
119.01833	2.0
122.04543	1.7
125.01855	0.6
127.03929	1.1
128.98601	1.8
134.16072	0.6
135.05270	0.7
140.05566	21.9
143.01833	0.6
144.05093	0.9
145.03590	0.6
146.99606	0.7
152.05573	2.5
152.07010	0.9
158.06642	69.0
158.99654	1.8
159.06859	1.4
159.30962	0.6
161.02852	0.9
168.50279	0.6
170.06641	17.6
170.99664	2.4
176.07698	18.4
182.03369	0.6
182.06638	0.9
185.05403	1.1
186.06099	1.2
187.37906	0.6
188.07697	34.2
189.00726	2.6
194.06636	6.0
194.08185	1.7
200.07680	6.3
201.00755	1.4
212.07693	100.0
213.07864	2.2
219.01784	0.9
230.08757	41.4
231.08963	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1694
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
50.00338	1.3
55.01871	2.6
55.05510	20.2
57.03445	8.8
57.07070	3.7
59.05010	2.3
67.05507	31.7
69.03425	3.1
69.06728	1.9
69.07070	18.3
69.15408	3.6
69.15813	11.1
71.04996	12.8
71.08632	3.0
72.97892	1.3
79.05499	12.9
81.03425	3.2
81.07056	36.5
83.04994	10.3
83.08624	13.2
85.06543	9.3
91.05506	9.5
93.07046	24.6
95.04990	4.9
95.08613	57.4
97.06538	12.3
97.10175	4.1
99.04449	8.1
99.08097	2.9
105.07040	25.3
107.04943	1.6
107.08599	46.5
109.06522	16.0
109.10164	100.0
111.08084	47.0
112.36461	1.5
113.06010	3.7
113.09715	2.0
119.08590	48.0
121.10139	29.8
122.07233	2.2
123.08074	48.8
123.08984	3.0
123.11710	19.1
125.09642	6.7
127.07546	1.5
127.11178	3.0
131.08603	2.7
133.10138	47.4
135.11697	49.3
135.12735	2.5
137.09625	99.0
137.13248	6.8
138.10449	10.0
139.11182	5.4
141.06955	1.6
147.11687	15.8
149.09619	2.9
149.13257	12.6
151.11154	11.0
151.14819	13.1
155.08580	3.1
157.10197	1.6
163.11137	3.3
165.12746	15.1
165.16396	3.5
167.08502	2.1
167.10759	1.5
168.05774	1.5
169.08902	1.4
169.10129	7.6
175.11189	3.6
175.13304	3.1
175.14830	56.0
178.13496	2.8
181.10172	1.8
183.11742	2.6
193.12294	4.6
193.15883	30.1
196.12466	1.6
205.98477	1.4
211.07574	5.3
211.11470	2.1
211.13135	2.5
211.14859	8.5
211.16956	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	211.1694
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
53.03934	4.1
53.58079	2.0
53.88942	2.0
55.01863	1.8
55.05513	22.6
56.96551	2.0
57.03443	3.1
57.07074	4.5
59.04984	4.1
63.88995	1.9
64.92066	1.8
67.05184	3.4
67.05511	44.0
69.03436	9.6
69.07076	24.1
71.04435	1.8
71.05019	12.5
79.05499	12.1
81.03415	19.3
81.07058	40.8
81.16259	1.8
83.04987	19.8
83.08611	15.8
85.06548	7.8
91.05470	14.6
93.07046	19.2
95.04981	14.6
95.08611	62.2
97.02914	1.9
97.06538	6.9
97.10190	6.0
99.04459	2.5
99.08086	6.7
105.07038	16.5
106.99666	1.9
107.08600	35.4
109.06535	11.8
109.10163	100.0
111.08086	6.5
113.09607	2.4
119.08594	33.3
121.10141	16.6
123.04433	2.8
123.08068	16.2
123.11710	16.9
125.09631	5.6
131.08588	2.6
133.10133	22.5
135.11699	65.5
137.09644	22.6
139.11160	3.0
145.96725	2.1
147.11699	6.5
149.09601	3.9
149.13274	7.8
151.11218	13.0
151.14813	12.3
153.12740	4.3
155.08582	4.9
157.10146	2.5
163.14848	2.6
165.12769	1.9
169.10126	8.7
175.11198	3.8
175.14828	21.8
181.10211	2.1
183.11555	2.3
193.12282	5.0
193.15892	15.1
211.07643	5.1
211.13113	3.5
211.14861	11.8
211.16962	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	211.1694
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03930	2.1
54.91311	1.4
55.01873	3.5
55.05515	19.6
57.03426	6.5
57.07064	5.5
64.69569	1.4
67.05512	33.5
69.03417	4.1
69.07073	19.5
69.41621	7.2
69.42030	2.5
71.04992	11.5
71.08633	2.0
79.05504	8.3
81.03400	3.2
81.06596	2.2
81.07065	38.3
83.04992	11.0
83.08624	13.5
85.06547	8.2
91.05490	10.9
93.07046	23.2
95.04982	5.6
95.08618	57.8
97.06547	11.2
97.10167	4.4
98.21488	3.1
99.04466	2.0
99.08102	3.5
105.07037	15.3
107.08603	36.1
109.06525	12.8
109.10163	100.0
111.08091	46.1
113.06007	2.4
113.09637	1.9
119.08591	43.5
120.42609	1.4
121.10149	25.1
122.07292	1.7
123.08080	47.5
123.11715	17.4
125.09636	7.7
127.11199	3.2
129.06961	2.1
131.08551	2.4
133.10136	43.3
135.11703	52.3
137.09625	94.5
137.13235	7.5
138.10416	8.1
139.11148	3.6
147.11694	10.2
149.13266	15.8
151.11221	6.9
151.14838	11.1
153.12764	1.5
155.08527	1.8
157.10112	1.5
163.11168	4.6
165.06908	1.7
165.12778	13.0
165.16371	4.6
169.10123	4.2
175.11237	2.4
175.13300	3.1
175.14836	52.2
178.13640	1.7
181.10138	1.9
182.10902	1.6
183.08060	1.5
183.11636	1.7
192.13791	1.5
193.12187	1.8
193.15889	32.8
196.12523	1.7
211.07515	3.0
211.11192	2.2
211.14850	9.6
211.16943	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	211.1692
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03934	1.2
55.01866	1.4
55.05515	17.6
56.05844	1.4
56.96568	1.6
57.03431	2.5
57.07070	3.9
59.05000	2.7
67.05507	35.1
68.40654	1.1
69.03427	9.3
69.07067	19.1
69.20039	10.7
71.04989	4.9
79.05515	6.2
81.03432	1.6
81.07056	33.1
83.04976	14.0
83.08632	11.0
84.08956	1.2
85.06560	5.4
91.05489	6.4
93.07061	16.3
95.04960	3.0
95.08611	48.2
97.06510	5.4
97.10165	3.9
99.08125	5.4
100.07623	1.4
101.05976	1.3
105.07037	10.3
107.08591	25.2
109.06520	12.5
109.10159	100.0
111.04447	1.9
111.08088	4.3
113.06044	1.9
113.09674	1.1
119.08579	28.0
121.10143	12.2
123.04448	1.9
123.08073	13.1
123.11710	10.6
125.09637	2.7
133.10136	22.4
135.11696	64.1
137.09625	15.6
137.13263	1.6
139.11130	3.0
145.10185	1.3
147.11658	3.1
149.13290	6.6
151.11165	11.1
151.14818	10.7
155.08569	3.4
163.14737	1.3
165.05583	1.2
165.12822	1.1
165.16376	2.6
168.05688	4.2
169.10179	5.0
175.14832	21.7
181.10094	1.8
183.15752	7.1
193.12268	1.4
193.15871	16.7
196.05196	4.5
205.98764	1.4
211.07507	10.1
211.11189	2.0
211.14877	8.2
211.16985	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	211.1331
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03940	4.5
55.01875	8.2
55.05515	44.4
55.05927	1.8
55.13032	1.5
55.55976	1.6
56.96556	3.2
57.03437	11.4
57.07088	2.4
65.03920	1.6
67.05508	35.2
69.03441	8.9
69.07065	10.5
69.29544	13.8
71.04987	6.3
79.05492	34.1
81.03423	100.0
81.06596	3.4
81.07059	50.4
83.04987	51.8
83.08618	32.9
85.02895	2.1
85.06523	4.5
89.04135	1.6
91.05487	34.9
91.34558	1.4
93.07045	24.4
95.04974	33.2
95.08606	18.5
97.02888	1.9
97.06551	7.3
97.10171	7.8
99.04466	2.2
99.08080	2.3
105.04543	1.9
105.07035	30.8
107.04953	6.6
107.08583	13.7
109.06520	9.2
109.10159	8.3
111.04431	5.0
111.07414	2.0
111.08065	12.1
115.05441	2.4
117.07022	2.5
119.08582	21.8
121.10159	11.0
123.04425	3.0
123.08064	4.7
123.11689	4.1
125.09606	3.7
129.07014	13.5
131.08572	14.2
133.06508	3.3
133.10136	15.4
135.11670	4.4
137.09615	5.3
141.07008	5.6
141.67188	1.4
142.07764	2.0
145.10114	2.9
147.08093	4.6
147.11696	22.0
149.09630	7.7
151.11177	4.0
153.07033	2.8
154.07727	2.6
155.08551	7.3
157.10123	17.3
165.07053	2.6
165.12752	9.1
167.08525	1.5
167.10529	2.1
169.04936	1.5
169.10143	13.1
175.11200	16.7
175.14861	3.3
178.98602	1.6
179.03351	2.3
181.10123	4.0
183.11700	5.7
193.12262	34.5
193.15910	1.9
196.12498	2.5
205.98720	2.6
211.07559	6.8
211.09384	2.1
211.11143	3.4
211.13010	13.4
211.15091	13.6
211.16772	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1328
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03945	2.5
55.01873	3.9
55.05514	9.1
56.96556	2.5
57.03414	2.5
67.05511	16.6
67.05857	2.5
69.03423	3.7
69.07057	5.6
71.04996	14.2
71.48579	2.7
75.04495	2.6
79.05492	22.8
81.03406	7.2
81.07063	31.0
83.04975	5.5
83.08598	3.4
85.06541	4.0
91.05485	29.6
93.07043	26.5
95.04975	18.6
95.08607	16.9
97.06502	2.6
99.04442	2.7
103.05450	2.7
105.07035	98.7
107.04936	2.4
107.08599	82.1
109.02963	1.9
109.06527	5.7
109.10163	15.2
115.05425	2.4
119.04939	2.2
119.08581	24.2
121.10153	13.5
123.04421	2.9
123.08098	3.8
123.11713	35.7
125.06020	2.7
125.09633	2.6
129.07002	3.4
131.08563	13.1
133.10136	100.0
135.08134	2.9
135.11766	2.3
137.05975	2.2
137.09592	8.8
139.07568	3.8
141.07004	5.4
145.10048	3.2
145.96664	2.1
147.11691	92.0
149.09596	18.0
151.03871	2.7
151.11191	64.1
153.06992	3.1
153.09225	2.2
155.08578	8.0
157.10117	7.9
163.97737	3.5
165.12762	22.1
167.08517	2.7
167.10677	13.2
168.09343	2.2
169.10121	18.6
170.10904	2.3
175.11203	27.4
179.03429	1.8
179.10651	10.0
181.10089	6.5
183.07947	2.6
183.11713	3.0
188.57431	2.1
193.12267	26.6
196.12514	6.4
205.98808	5.1
211.07489	5.7
211.11320	2.7
211.13286	40.0
211.14897	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1901
Annotation	(-)-Noranthoplone
Peak:m/z	Relative Intensity
55.01855	3.6
55.05514	24.1
57.07063	15.4
59.04984	4.2
60.18226	2.9
63.04972	2.9
67.05505	27.1
69.07073	44.3
71.04997	3.4
71.49638	5.5
74.11836	3.3
79.05490	15.0
81.07058	46.5
83.04993	7.6
83.08641	17.5
85.06541	10.3
91.05480	11.0
93.07042	45.7
95.04944	4.2
95.07990	5.4
95.08606	100.0
97.06548	5.4
97.10163	16.6
99.08065	3.7
104.48318	2.9
105.07037	9.2
107.08593	61.2
109.06549	3.7
109.09476	5.3
109.10158	59.9
111.08108	4.4
111.11733	7.1
117.95956	4.0
121.06461	5.3
121.10139	71.9
123.11697	14.7
125.05959	5.0
125.09655	4.3
131.08539	4.1
133.10138	4.7
135.11697	69.1
137.13286	3.4
149.05971	2.9
149.13272	23.9
167.14323	5.3
179.08562	5.7
191.10596	4.6
191.14279	6.8
191.17960	81.4
193.12323	3.6
194.13036	3.3
207.42957	3.6
209.06061	5.8
209.09634	3.6
209.11507	5.3
209.13356	7.7
209.15352	79.8
209.18895	6.9
214.82684	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	210.9406
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70897	13.7
56.10890	16.0
58.06593	20.7
63.48917	13.7
65.90192	14.4
71.48395	18.3
72.25943	13.4
96.72164	17.6
98.54675	13.1
98.97576	15.6
105.03719	21.7
112.89619	20.9
120.94574	28.3
129.56375	17.3
138.56868	100.0
166.08377	25.6
184.49252	17.1
210.89337	21.9
210.94075	49.0
211.07692	21.4
211.10484	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
52.73077	2.1
53.03936	3.5
55.01867	5.0
55.05275	2.6
55.05517	29.8
57.03433	6.8
57.07067	4.1
59.04999	2.9
67.05508	13.2
67.56237	2.1
69.07079	13.9
69.62862	11.9
69.63265	3.6
70.27213	1.8
70.65965	2.1
71.05002	5.5
79.05482	11.9
80.94503	2.0
81.07064	26.4
83.04989	66.1
83.08613	12.0
84.84103	1.8
85.02900	2.5
85.06583	4.8
91.05486	8.1
93.07061	16.1
95.04974	44.6
95.08616	13.3
97.06541	21.7
99.04457	7.8
105.07028	7.1
107.08601	26.8
109.06524	100.0
109.10152	23.9
111.08079	8.8
117.07016	2.4
119.08591	5.3
121.06569	2.9
121.10155	20.4
123.08087	13.5
123.11723	5.1
125.09651	15.3
131.08586	7.6
133.10143	17.6
133.20963	2.4
135.08072	16.9
135.11734	5.8
139.07524	5.3
139.11182	2.2
145.10078	3.1
147.11679	3.7
149.09647	8.5
149.13281	9.5
151.11203	10.1
153.09105	33.1
154.09818	2.4
163.04105	1.9
163.14836	6.1
167.14314	16.0
173.13287	9.3
174.76572	2.2
191.14320	21.9
209.15387	72.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	Nopyl acetate
Peak:m/z	Relative Intensity
50.50059	0.9
53.03941	3.0
55.01862	1.9
55.05507	5.7
57.07078	14.8
67.05500	9.3
69.07065	7.9
71.00450	3.4
71.04980	3.7
71.08614	1.7
75.04466	3.5
77.03923	2.0
79.05494	79.8
81.06602	1.3
81.07056	17.0
83.04977	3.5
83.08640	2.0
85.06545	1.2
91.05486	18.2
93.07045	100.0
95.04955	4.1
95.08607	11.3
97.06570	5.2
98.97561	1.7
105.04513	1.6
105.07037	5.2
107.04965	2.7
107.08595	56.7
109.06529	3.4
109.10150	4.3
111.08076	3.0
117.06995	2.7
119.06034	1.7
119.08583	2.6
121.06501	4.2
121.10134	10.6
123.08069	2.5
125.05988	1.8
131.08562	4.5
133.10130	14.5
135.08076	5.6
135.11691	92.4
139.07561	6.3
145.01265	1.1
145.10114	1.8
147.11636	1.3
149.09615	4.6
149.13263	46.0
151.11140	2.6
153.07002	1.1
153.09088	3.4
159.11719	3.9
163.14842	2.1
163.51991	1.2
167.08456	1.1
167.14261	2.1
173.13229	2.5
177.05530	2.0
177.12769	12.9
179.08607	2.5
181.10118	1.4
191.14293	3.9
194.10930	1.5
209.04352	2.0
209.07928	1.6
209.09630	3.4
209.11664	2.8
209.13330	5.1
209.15395	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	209.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37341	1.4
53.03937	5.8
55.01871	2.4
55.05518	8.7
56.96570	1.8
57.07085	14.4
67.05507	11.6
69.07072	10.5
69.36667	11.4
71.04996	2.3
71.08624	3.0
75.04486	2.7
79.05496	91.1
81.03405	2.4
81.07059	19.4
83.04967	4.6
83.08620	3.1
85.06523	1.7
89.03917	2.7
91.05486	20.4
93.07047	100.0
95.04961	6.5
95.08613	12.2
97.02919	1.6
97.06528	6.1
99.04453	2.4
103.60696	1.6
105.04539	2.8
105.07046	7.1
107.04952	4.6
107.08600	67.9
109.06513	8.4
109.10142	5.3
109.81697	1.8
111.08058	3.4
117.03386	3.9
117.07009	4.5
119.08575	2.5
120.97729	1.4
121.06507	4.3
121.10149	14.5
123.08056	1.9
123.11723	2.3
125.09610	2.8
131.08568	6.8
133.10143	14.4
135.04346	2.3
135.08061	7.9
135.11699	92.9
138.92824	1.5
139.07576	5.3
145.02863	8.2
145.10153	2.9
147.11674	2.5
149.05922	4.1
149.09621	7.5
149.12053	2.6
149.13254	45.6
151.11179	5.5
153.05563	1.6
153.09145	4.2
159.11725	3.9
163.03868	2.3
163.11171	3.1
163.14809	1.6
165.07022	2.7
167.08607	2.1
167.14339	4.2
173.13225	3.0
177.05460	13.8
177.12727	12.8
179.08548	1.7
181.10091	1.6
191.10681	2.6
191.14297	6.9
194.10902	2.4
209.04480	2.7
209.07915	2.6
209.09729	3.1
209.11545	3.1
209.13286	7.1
209.15398	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03922	1.1
55.01861	2.4
55.05514	3.1
57.07077	4.5
59.04979	0.6
65.03940	0.7
67.05505	6.6
69.03419	1.4
69.07061	4.4
69.19801	4.0
69.20222	1.4
71.04984	3.2
79.05482	5.4
81.03413	1.8
81.07052	7.9
83.04995	3.3
83.08610	1.9
84.41492	0.5
85.06535	1.1
85.14865	0.5
85.59265	0.6
91.05483	5.9
93.07046	8.3
95.04961	5.0
95.08606	10.3
97.02866	0.8
97.06533	2.2
99.04449	1.2
99.08094	0.8
103.05511	0.6
105.07042	4.9
107.04939	1.3
107.08597	10.7
109.06517	100.0
109.10156	12.5
111.04458	2.0
111.08083	2.9
117.07014	2.3
119.08595	2.1
121.06520	1.8
121.10152	5.7
123.08064	9.5
123.11691	3.9
125.09614	1.4
131.08566	6.9
133.10112	3.7
135.04472	0.8
135.08051	21.7
135.11670	3.7
137.09647	0.8
143.08524	0.8
145.10107	4.0
147.08054	1.1
147.11702	2.3
149.09641	7.3
149.13289	3.2
150.10449	0.9
151.11197	2.2
153.09108	3.4
158.10838	1.0
163.03947	0.6
163.11195	3.7
163.14870	1.5
163.80379	0.5
165.07076	1.1
166.07828	0.9
167.08553	1.4
167.10777	0.7
167.14316	0.8
173.13245	6.3
179.08595	1.1
180.09312	0.6
181.10129	1.5
191.10667	1.3
191.14313	20.9
194.10812	1.3
199.92291	0.5
209.04401	1.1
209.07941	0.7
209.09842	1.1
209.11670	1.4
209.13301	4.9
209.15402	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	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.05266	2.3
55.05515	25.3
57.07064	4.8
59.05000	2.3
65.03942	1.9
67.05509	8.4
69.03426	3.3
69.07064	4.9
69.39902	12.2
69.50649	1.2
70.50913	1.4
71.04978	3.3
71.06538	1.3
79.05496	9.6
81.07059	19.9
83.04990	55.8
83.08652	8.2
85.06542	1.9
89.55579	1.4
91.05489	6.3
93.07047	16.3
95.04968	30.2
95.08622	9.5
97.06535	19.5
97.10182	2.4
99.04436	6.2
105.07038	8.8
107.04967	2.8
107.08614	21.6
109.06525	100.0
109.10171	16.1
111.08080	7.0
119.08578	4.1
121.06525	1.7
121.10143	22.9
123.08100	7.0
123.11707	2.8
125.09626	7.3
131.08575	8.3
133.10129	16.4
135.08080	15.4
135.11697	3.1
145.10120	3.2
149.06102	1.6
149.09636	4.9
149.13263	11.6
151.11243	8.5
153.09102	22.7
158.10947	1.9
163.11209	1.5
163.14838	2.4
167.14343	13.5
173.13199	6.7
175.73238	1.4
191.03442	2.7
191.14336	15.3
195.09390	1.5
209.11717	1.6
209.15370	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	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03932	3.0
55.01867	4.2
55.05514	74.9
57.03434	2.6
57.07050	2.1
59.05021	4.3
67.05500	9.9
68.89885	1.5
69.03416	7.5
69.07060	7.5
70.39889	6.6
71.04979	6.4
75.18385	1.7
77.03915	2.1
79.05508	8.3
81.07066	11.9
83.04985	100.0
83.08620	37.6
85.06532	4.1
91.05479	12.8
93.07049	21.8
95.04439	2.6
95.04972	21.9
95.08630	9.4
95.09106	1.5
95.40373	1.7
97.06526	10.8
97.10164	6.5
99.04461	2.6
105.07021	7.2
107.04942	3.0
107.08595	33.5
109.06529	17.1
109.10153	23.8
111.08088	12.7
117.07021	3.2
119.08594	4.9
121.06528	4.4
121.10149	47.5
123.04415	3.9
123.08097	2.5
123.11694	11.0
125.09650	16.3
125.41175	1.5
131.08557	5.0
133.10106	7.4
135.04416	4.6
135.08031	3.9
135.11679	3.7
137.05910	3.1
145.10068	4.9
149.05931	2.6
149.09613	7.2
149.13228	7.7
151.09978	2.7
151.11183	42.2
153.09120	6.8
153.12953	1.7
160.17708	1.8
163.03879	7.5
163.11090	2.6
163.14796	10.3
167.14322	72.1
173.13297	3.1
191.03436	9.5
191.10606	5.0
191.14278	5.6
209.04395	8.6
209.08073	3.4
209.11766	5.4
209.15373	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1174
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03937	4.7
55.01878	47.3
55.05282	1.5
55.05518	20.6
56.96586	1.4
57.03411	3.4
57.07064	3.4
59.04998	2.6
65.03923	1.3
67.05513	42.5
69.03414	4.5
69.06793	1.2
69.07076	12.1
70.45856	1.4
70.46217	4.4
71.05000	6.3
73.02905	2.4
79.05501	36.9
81.03401	5.5
81.06609	2.2
81.07063	38.6
83.04990	91.6
83.08626	11.3
85.02893	3.3
85.06524	5.5
91.05489	23.0
93.03400	1.7
93.07048	54.2
95.04985	11.0
95.08614	15.7
97.02897	1.4
97.06536	19.3
99.04463	16.0
99.08072	5.7
101.02363	4.2
103.05449	2.4
105.06429	1.2
105.07059	8.9
107.04972	8.8
107.07890	1.6
107.08598	25.5
109.02840	1.8
109.06506	8.6
109.10171	9.9
111.04453	100.0
111.08099	35.8
113.16727	1.1
115.05467	1.3
117.07043	9.2
119.08600	10.6
121.06496	9.4
121.10152	18.4
123.08062	2.6
125.06011	18.3
125.09606	1.9
128.06091	1.9
129.05441	5.5
129.06963	6.2
131.08578	22.0
133.10130	2.8
135.08060	6.4
135.10719	1.8
135.11703	28.6
137.05867	1.7
139.07564	2.1
140.58894	1.2
143.08653	1.4
145.06461	2.0
145.09062	2.1
145.10138	27.4
147.08022	2.0
147.11658	2.3
149.09641	28.1
149.13234	2.0
153.12764	35.1
155.08557	3.1
160.97565	2.2
163.11194	50.2
165.07033	1.9
165.09241	1.6
165.12747	4.2
172.83467	1.4
173.09628	15.9
173.13278	1.6
181.12260	22.2
181.36142	1.4
191.10690	51.6
191.14319	4.6
192.10991	1.2
200.18867	1.4
209.04211	1.6
209.06026	3.0
209.07883	1.8
209.11708	54.9
209.15305	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	207.1747
Annotation	beta-Irone
Peak:m/z	Relative Intensity
53.03943	1.8
55.01874	1.2
55.05515	8.0
56.96561	1.3
57.03460	1.8
57.07063	1.6
60.17741	0.9
62.27676	1.0
65.03918	1.2
67.05509	13.4
69.03425	2.8
69.07072	10.6
71.05003	13.6
71.49916	1.9
71.59579	1.0
79.05498	13.5
79.95130	1.0
81.07059	47.1
83.04958	1.8
83.08636	6.0
85.02901	3.3
85.06519	3.8
91.05491	21.9
93.06487	1.9
93.07050	29.9
95.04971	7.4
95.08617	54.6
97.06546	1.3
97.10153	1.4
99.08127	1.1
103.05482	1.5
105.07040	41.9
106.46216	1.0
107.04967	2.1
107.08601	47.8
109.02855	1.0
109.06512	4.5
109.10163	23.2
111.08097	2.9
113.09644	1.4
115.96468	8.0
116.97234	1.9
117.07064	2.1
119.04926	3.3
119.08590	48.1
121.02872	1.0
121.10148	14.7
123.04451	1.2
123.08060	3.9
123.11691	6.4
125.06013	1.4
125.09645	2.6
131.08583	3.2
133.06506	2.5
133.10141	45.7
133.97472	3.3
135.08067	1.8
135.11696	4.8
137.05972	2.5
137.09599	2.9
137.13254	4.6
139.11192	2.3
143.08543	1.5
145.10147	4.1
147.04410	2.1
147.08089	2.0
147.11707	36.0
149.09598	3.7
149.13261	21.1
151.07576	2.3
151.11195	2.5
153.20358	1.2
161.06006	1.3
161.09644	4.1
161.13275	23.9
163.11143	1.9
163.14838	26.3
165.07008	1.1
165.12784	6.8
171.08112	1.2
171.11699	2.1
175.03900	1.2
179.08553	1.9
184.00179	1.6
189.12878	6.9
189.16400	100.0
190.16759	1.3
191.08563	2.0
192.09367	9.6
195.65497	1.1
207.02946	2.0
207.06532	3.3
207.10068	3.6
207.11726	16.0
207.13829	15.2
207.17461	58.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1172
Annotation	Coronafacic acid
Peak:m/z	Relative Intensity
50.14890	3.1
53.03712	3.7
53.03949	53.7
53.63800	3.4
55.01875	31.9
55.05505	21.3
56.96550	5.5
57.03439	6.1
57.07065	15.2
65.03938	6.8
67.05508	99.1
69.03413	7.0
69.07070	24.8
69.41302	5.4
69.41708	21.8
71.04978	12.8
71.08611	4.9
79.05492	82.9
81.03421	100.0
81.07062	78.3
83.04990	27.7
83.08617	10.0
85.02937	3.5
85.06536	10.3
91.04977	4.8
91.05489	56.2
93.07044	72.3
94.89880	3.3
95.04969	48.0
95.08613	35.9
97.06516	15.1
98.97560	6.7
99.08105	7.0
103.05453	9.1
105.07037	28.2
107.04961	49.8
107.08592	61.3
109.05819	5.5
109.06519	64.6
109.10145	11.0
109.37451	3.8
111.04447	11.0
111.08081	7.9
113.05974	4.5
113.09600	4.2
115.05494	3.5
116.98524	3.1
117.07035	28.3
117.95979	8.2
119.08558	18.5
121.06511	15.2
121.10146	51.4
123.04388	3.5
123.08050	12.2
123.11683	6.3
125.09621	8.0
126.01109	5.6
128.06190	3.6
129.06999	14.2
130.07785	4.4
131.04950	9.8
131.08568	34.1
133.10098	9.3
135.04503	3.8
135.08061	31.4
135.11688	30.8
145.06451	13.6
145.10127	46.9
147.08054	5.3
147.11703	7.9
149.05951	7.8
149.09627	41.7
149.13303	16.1
151.07527	3.7
151.11159	7.9
153.07040	6.0
153.09070	9.4
155.08525	22.9
163.03856	3.5
163.07536	4.0
163.11185	40.0
163.14792	8.0
165.06987	3.2
165.12755	5.2
166.07759	8.7
167.08548	4.0
167.14389	5.0
173.09634	31.4
173.13213	8.1
173.74683	3.3
177.05460	10.6
179.08525	9.3
181.06567	4.4
181.10147	6.7
191.07053	4.8
191.10643	15.2
191.14342	23.9
194.10890	9.6
207.11835	3.5
209.04361	7.5
209.06122	7.2
209.08066	11.4
209.09633	10.1
209.11726	17.1
209.13278	19.2
209.15100	42.2
209.18794	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	207.1745
Annotation	beta-Irone
Peak:m/z	Relative Intensity
53.67977	3.2
55.05509	10.7
57.07078	7.7
67.05508	29.0
69.07059	22.0
71.49353	7.7
71.49741	4.4
79.05501	21.3
79.93453	3.5
81.07062	63.7
83.08624	11.3
91.05474	31.8
93.07051	43.9
95.08611	86.2
97.10194	5.2
105.07040	81.4
107.08588	51.7
109.10151	32.8
111.08078	8.1
115.96450	8.7
119.08578	83.4
121.10161	37.4
123.11720	17.6
131.08577	7.5
133.10130	100.0
133.26088	4.4
135.11690	16.5
137.13252	12.3
145.10153	5.9
147.11697	55.2
149.13271	37.7
151.07701	4.9
151.11153	5.8
161.13258	23.8
163.14804	18.4
164.11974	5.0
177.16388	34.5
179.59415	4.2
189.16376	90.0
207.09688	8.1
207.17464	92.5
208.15517	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	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02366	1.4
53.03950	9.4
54.40004	0.7
55.01866	2.3
55.05510	8.4
56.05466	0.9
57.03450	0.9
57.07087	1.0
59.04991	0.9
61.61586	0.9
65.03938	1.8
66.11261	0.7
67.05506	27.6
69.03414	0.9
69.07070	7.8
70.66227	2.1
71.04981	2.7
73.06544	2.3
77.03920	2.2
79.05495	52.9
81.03400	1.2
81.04147	0.7
81.07057	23.5
83.04977	3.9
83.08620	2.9
85.02903	1.6
85.06555	2.6
89.70229	0.9
91.05482	54.9
93.07045	100.0
94.07359	1.3
95.04970	13.5
95.08606	12.2
97.06531	3.3
97.10170	0.8
99.08086	0.9
103.32598	0.8
105.04541	4.8
105.07034	28.2
107.04958	1.5
107.08595	15.2
109.06516	6.1
109.10172	2.4
115.05486	1.5
115.96450	8.5
116.97228	2.2
117.07008	6.8
119.04939	0.9
119.08585	19.5
121.06510	3.3
121.10146	3.8
123.08082	6.6
123.11743	1.9
125.05942	0.8
127.07571	1.8
128.06245	2.3
129.07014	10.6
131.08560	1.7
133.06509	0.9
133.10133	8.7
133.97459	3.4
135.08066	1.0
137.09668	1.2
137.60136	0.8
139.07597	0.9
143.08585	6.1
145.10117	9.4
147.04448	2.2
147.08041	3.8
147.11690	57.4
149.09634	2.0
151.07590	0.9
161.05945	1.7
161.09615	4.6
161.13251	8.3
163.11205	1.1
165.09122	1.3
171.11690	20.7
181.09784	0.7
184.00198	1.5
189.09145	0.9
189.12730	13.8
189.16414	1.2
191.08614	0.8
192.09335	5.6
207.06569	3.0
207.09978	1.9
207.11765	8.5
207.13844	24.2
207.17436	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	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03936	5.0
55.01870	5.2
55.05497	12.2
56.72268	2.8
57.07065	12.9
59.05009	4.8
61.57129	2.5
65.03928	3.9
67.05496	21.6
69.03427	14.3
69.07053	10.9
70.20807	3.7
70.21143	9.1
71.04984	12.9
79.05493	28.4
81.07060	39.5
83.04974	10.0
83.08616	4.8
85.02899	9.6
85.06539	9.2
91.05489	47.1
93.07046	33.6
95.04985	33.8
95.08607	45.3
97.02943	3.2
97.06546	13.6
98.20870	3.5
103.05460	5.0
105.07035	67.7
105.26231	2.8
107.04939	6.0
107.08595	92.5
108.26612	2.5
109.02887	3.7
109.06521	36.5
109.10175	14.4
111.08067	8.1
115.96439	3.8
116.06209	2.6
116.80453	2.6
117.07050	6.7
119.04922	5.4
119.08591	64.3
119.20472	2.9
121.06487	27.2
121.10153	54.0
122.07270	10.3
123.04460	7.5
123.08073	45.4
123.11693	14.2
125.09599	6.6
128.06235	6.8
129.06953	6.9
131.08578	31.8
133.06494	11.9
133.10130	33.8
135.08096	5.8
135.11697	3.4
136.36284	3.0
137.05978	9.2
137.09607	13.2
137.13228	3.9
140.20413	2.6
141.07034	3.2
143.08582	9.4
145.10143	10.5
145.52527	2.7
147.04439	5.0
147.08051	17.4
147.11685	72.7
149.02403	3.5
149.09628	95.2
149.13341	5.8
151.07547	64.3
156.09335	9.4
157.06497	2.8
159.08025	5.3
161.05960	14.4
161.09657	13.5
161.13266	26.5
163.11154	9.7
163.14861	5.2
165.09073	7.2
165.12782	30.1
171.11696	16.2
174.10391	4.0
179.08510	4.9
179.14352	4.0
189.09166	14.3
189.12770	56.3
189.16393	17.9
207.06464	8.5
207.10368	13.1
207.13805	100.0
207.17201	13.2
207.64494	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	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03939	3.0
55.01863	5.7
55.05517	9.1
57.03419	2.9
57.07072	4.4
58.16974	1.2
59.04987	2.6
62.18135	1.2
65.03929	3.8
67.05186	2.1
67.05508	28.7
69.03430	8.0
69.07045	5.0
69.32159	1.2
71.04987	5.7
72.36385	1.4
79.05498	10.7
80.86479	1.2
81.03394	2.2
81.07052	16.7
83.04963	5.2
85.02908	34.6
85.06545	7.1
91.05483	39.9
93.06586	1.8
93.07055	19.7
95.04976	9.2
95.08609	77.4
97.06514	3.1
103.05463	7.8
105.07037	43.3
107.04958	6.4
107.08591	21.6
109.06554	8.2
109.10132	9.2
111.08045	1.4
113.05979	3.5
115.05455	3.6
116.06236	1.8
117.07027	10.3
118.04132	4.0
119.04971	8.3
119.05758	1.5
119.06849	2.0
119.08580	53.3
120.08083	4.8
120.08850	1.4
120.56917	1.2
121.06506	9.3
121.08455	9.7
121.10143	19.4
123.04437	7.7
123.07215	2.6
123.08075	49.5
123.11716	26.0
125.05984	4.9
125.09641	1.8
128.06230	9.4
129.07025	15.9
130.07799	2.8
131.04915	10.2
131.08591	12.0
131.09483	2.1
133.06482	6.0
133.10146	15.2
135.08075	3.4
135.11652	2.1
137.05969	3.6
137.09613	5.6
137.13216	1.8
139.07512	1.8
141.06976	1.5
143.08565	14.7
145.06490	7.0
145.10124	8.3
146.03607	1.6
146.07321	6.6
147.04382	4.0
147.06281	2.1
147.08057	51.7
147.11700	26.3
148.05191	4.8
149.05980	1.4
149.09630	42.6
151.07539	4.5
153.00911	1.4
156.09325	6.1
157.06476	3.6
159.08078	3.9
160.08810	2.4
161.05992	100.0
161.09622	44.5
161.13255	15.7
162.06303	2.4
163.07552	4.3
163.11203	4.8
165.05533	3.3
165.09064	5.0
165.12747	9.5
166.04901	1.5
171.07986	1.6
171.11658	5.0
174.06757	4.7
174.10394	6.2
175.03983	2.1
179.08507	1.9
179.10707	2.4
179.14246	4.0
183.97655	1.8
189.07414	3.2
189.09105	36.8
189.12758	29.6
191.08607	1.5
192.09349	3.7
207.06540	3.4
207.08289	2.9
207.10179	24.1
207.12125	2.6
207.13791	51.5
209.49602	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
52.34077	0.7
53.03949	1.2
55.01864	1.7
55.05504	3.1
57.03426	0.9
57.07059	1.5
59.05001	0.8
65.03934	0.9
67.05218	0.7
67.05511	6.7
69.03431	4.0
69.07073	3.7
70.64219	0.8
71.04996	2.1
71.48460	1.2
79.05499	6.6
80.44758	0.7
81.07057	18.7
83.04972	1.4
83.08618	0.9
85.02908	100.0
85.06536	1.4
85.90143	0.7
90.76675	0.8
91.05474	10.2
93.06568	1.0
93.07050	9.7
95.04954	3.2
95.08611	7.2
97.02897	1.1
97.06549	1.2
98.97600	0.9
103.05441	1.3
105.06331	0.8
105.07029	15.5
107.04966	2.4
107.08596	9.7
109.06535	3.9
109.10161	17.8
115.05434	1.1
117.07013	2.5
119.04948	2.0
119.08591	16.1
121.06519	2.2
121.10153	14.6
123.04443	2.8
123.08121	4.8
123.11713	64.1
124.12014	1.2
125.06007	11.2
128.06238	1.5
129.06978	2.7
131.08589	5.3
133.06468	2.7
133.10129	5.3
135.08073	1.5
137.06033	1.6
137.09560	2.0
139.07542	1.4
141.05524	1.2
142.07721	0.8
143.08574	3.8
145.10118	5.9
146.10847	0.9
147.04411	1.2
147.08057	11.5
147.11690	14.1
149.09622	18.8
150.18086	0.8
151.07549	6.3
156.09344	3.1
159.08055	1.5
160.05202	1.0
161.05974	3.8
161.09637	5.6
161.13254	4.2
163.11208	2.4
165.05476	1.2
165.12779	4.3
169.08569	1.3
171.11679	2.6
174.10381	2.0
176.73958	0.9
178.09779	0.8
179.07092	0.8
179.10628	0.9
179.14258	0.8
185.19167	0.8
189.09064	3.9
189.12750	15.3
192.09509	0.8
207.02875	0.8
207.06467	1.3
207.08424	1.0
207.10132	3.5
207.12177	1.5
207.13805	42.9
228.58086	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02362	0.9
51.53335	0.8
51.71815	1.1
53.03760	0.8
53.03951	9.9
55.01873	1.9
55.05519	5.1
55.05723	0.9
60.71402	0.9
65.03938	1.2
67.05505	29.2
69.07071	6.8
71.04991	2.2
73.06569	1.4
77.03948	2.2
79.05495	47.8
81.03426	1.9
81.06596	1.4
81.07057	24.9
83.04996	2.3
83.08607	2.4
85.06538	2.6
91.05483	51.3
93.07047	100.0
95.04444	1.3
95.04978	11.2
95.08619	8.8
97.06523	1.7
97.10177	1.7
98.21543	2.5
105.04514	2.9
105.07038	26.9
105.07771	1.4
107.04943	1.1
107.08586	11.0
109.06520	3.7
115.05476	1.2
115.96400	1.8
117.07005	5.6
119.08585	18.1
121.06509	2.4
121.10154	3.0
121.49473	0.9
123.08061	3.8
127.07538	1.4
129.07011	10.5
131.08595	1.0
133.10127	7.3
143.08568	6.2
145.10143	7.7
147.08069	3.0
147.11691	58.7
152.93910	0.9
161.09604	4.2
161.13271	7.8
171.11697	21.9
189.12753	10.7
189.16312	1.3
207.06586	1.3
207.13799	18.0
224.68732	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1018
Annotation	Acetyleugenol
Peak:m/z	Relative Intensity
51.57782	1.4
53.03947	3.2
55.01873	7.1
55.05513	5.7
57.03425	3.3
57.07084	1.2
59.16937	1.1
65.03925	2.2
67.05499	7.4
69.03420	3.5
69.07045	1.2
70.88402	2.8
71.04991	4.4
79.05491	10.1
80.94963	1.3
81.03422	5.1
81.07064	5.7
83.04987	3.4
84.08144	3.1
85.02894	3.9
91.05487	46.4
93.03368	1.3
93.07056	6.6
95.04988	7.0
95.08614	4.0
103.05481	3.3
105.07039	29.0
105.07659	1.0
107.04960	9.2
107.08601	7.7
109.02899	1.7
109.06516	6.1
109.10152	3.1
111.04428	1.8
115.05479	3.6
116.06196	1.5
117.06998	7.5
118.45147	1.3
119.04948	17.5
119.08585	38.4
121.02870	4.6
121.06512	4.7
121.10157	3.3
121.97649	1.7
122.99470	1.2
123.03461	3.1
123.04438	8.7
123.08074	5.7
126.77190	1.2
128.06232	8.6
129.07034	10.3
131.04950	2.6
131.08601	3.4
132.05779	3.0
133.06506	6.5
133.10147	17.0
135.08061	2.3
136.06172	10.3
137.05966	4.6
137.09642	2.8
142.94951	1.5
143.08577	18.3
145.06541	2.9
145.10159	2.1
146.07268	1.4
147.04414	9.7
147.08060	100.0
147.11710	4.7
149.09615	4.5
151.03868	1.4
151.07585	2.4
153.02840	1.3
160.05171	1.6
161.05984	9.7
161.09633	31.4
161.13223	2.6
163.11226	3.5
165.05464	9.5
165.07852	1.5
165.09137	7.6
165.12787	1.3
171.08017	2.4
171.11682	1.7
174.06812	1.5
175.03905	7.6
179.07101	1.8
179.10670	2.3
180.05179	1.2
181.90089	1.2
183.97679	1.3
189.05466	1.5
189.09079	11.2
189.12752	3.9
189.16451	1.3
192.04161	3.7
198.59357	1.9
207.02808	2.2
207.06502	10.4
207.10190	40.6
207.12126	2.6
207.13702	9.5
207.17320	1.7
208.08220	1.3
225.02917	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	207.1016
Annotation	Acetyleugenol
Peak:m/z	Relative Intensity
50.28521	0.9
53.03941	1.8
55.01868	7.1
55.05512	4.7
57.03419	1.8
62.54515	0.9
65.03931	1.8
67.05509	6.5
67.78413	0.8
69.03429	4.0
69.07059	1.7
69.15707	8.3
71.04986	4.4
79.05502	9.0
81.03403	1.7
81.07059	5.0
83.04967	2.2
85.02909	5.6
91.05482	32.1
93.07042	6.7
94.07363	1.0
95.04958	3.9
95.08606	2.9
103.05455	2.3
105.07034	26.2
107.04951	7.0
107.08606	6.8
107.73299	0.8
109.06483	3.2
109.10151	1.4
115.05443	2.2
117.07025	6.7
119.04949	12.3
119.06824	1.4
119.08584	35.2
120.08091	2.5
121.06489	3.1
121.08427	5.1
121.10076	1.4
123.04447	8.0
123.08088	4.0
123.11668	1.9
128.06215	8.4
129.07021	9.8
131.04909	2.2
131.08533	2.5
132.05696	1.9
133.06468	6.2
133.10129	16.6
134.55331	0.8
137.05984	4.0
137.09618	4.4
143.08569	19.0
145.06447	4.6
145.10114	2.1
146.07256	2.0
147.04446	4.9
147.08049	100.0
147.11716	2.9
148.08653	0.9
149.09586	1.8
151.07509	2.0
157.06474	1.1
160.05225	1.0
161.05991	12.1
161.09624	35.3
161.13257	1.5
163.07497	2.3
163.11162	3.1
165.05482	9.8
165.09106	6.1
171.08029	2.0
179.10706	2.6
189.09093	10.6
189.12752	2.5
207.02954	1.2
207.06482	3.6
207.10165	43.2
207.13603	5.9
219.36316	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1016
Annotation	3-Dimethylallyl-4-hydroxybenzoate
Peak:m/z	Relative Intensity
53.03941	5.0
55.01877	12.3
55.05515	14.2
57.03443	3.3
65.03928	2.4
67.05510	23.1
69.03423	3.5
69.07065	5.8
69.15694	10.2
69.16124	9.9
70.76170	1.6
71.05002	15.6
79.05078	2.6
79.05498	31.6
81.03419	8.7
81.07064	19.0
83.04990	28.0
84.86327	1.9
85.02903	4.6
85.06556	3.0
91.05491	83.3
93.07051	28.8
95.04993	13.1
95.08618	14.5
97.06528	2.3
99.04446	7.7
103.05436	3.7
105.03410	9.3
105.07039	71.1
107.04969	50.8
107.08621	19.1
109.02879	4.5
109.06476	3.8
109.10159	6.7
111.04465	2.9
111.08086	3.5
115.05470	6.9
115.96475	2.6
117.07021	35.7
119.04957	4.4
119.08593	71.9
121.06513	7.6
121.10165	12.2
123.04408	4.7
123.08103	2.8
123.11735	3.0
126.95808	2.1
128.06236	29.0
129.07024	21.5
131.08578	7.7
133.06483	10.1
133.10143	43.0
135.08083	3.6
135.11729	2.6
137.09549	2.6
137.74130	2.0
143.08569	51.1
145.06511	9.8
145.10176	9.5
146.07304	2.5
147.08055	33.5
147.11647	8.9
149.13181	2.1
153.07034	2.2
155.06139	2.1
161.05928	3.1
161.09628	100.0
161.13223	7.7
163.07552	2.4
163.11192	12.3
163.14816	5.5
165.05487	3.4
165.09129	3.7
171.08023	13.2
179.07100	2.0
179.10722	10.4
189.09126	38.9
189.16371	6.2
192.09343	2.9
207.06476	2.6
207.10178	46.0
207.11835	3.5
207.13852	6.0
207.17451	8.4
211.35548	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	207.1016
Annotation	Narchinol A
Peak:m/z	Relative Intensity
50.68452	0.9
53.03946	12.2
55.01874	12.1
55.05520	5.8
57.03417	1.2
57.95198	1.0
58.68812	1.1
59.99101	2.6
65.03940	3.0
67.05508	32.6
69.03435	2.5
69.07082	5.7
71.04997	11.5
71.49110	1.8
77.03928	1.2
79.05498	37.1
81.03423	9.5
81.07059	8.9
81.85005	1.0
83.04987	6.3
83.08632	1.1
85.02901	3.8
85.06522	2.2
87.00777	1.0
91.05484	63.4
93.03404	2.0
93.07042	20.7
95.01344	4.6
95.04974	18.5
95.08611	9.1
95.60467	1.2
97.02885	2.9
97.06522	1.9
99.00829	2.4
99.08098	1.5
103.05484	9.1
105.03377	2.5
105.04518	2.2
105.06319	1.7
105.07033	39.9
106.06554	31.1
107.04960	100.0
107.08591	6.0
109.02884	34.7
109.06509	2.9
109.10146	4.2
110.32176	1.1
111.04432	2.3
111.08089	7.4
113.02371	1.3
113.06002	1.3
115.05455	6.6
115.96465	2.8
116.97234	1.4
117.07027	25.9
117.07853	1.6
119.04966	6.1
119.08590	41.9
121.02881	7.9
121.05675	1.8
121.06506	27.2
121.10163	4.0
123.04437	18.5
123.08057	3.3
128.06232	17.2
129.07027	10.1
131.04962	1.4
131.08592	4.2
133.06502	7.3
133.10135	33.2
135.04422	1.2
135.08066	1.4
137.05969	1.8
137.09631	2.5
139.07544	1.9
143.07512	2.2
143.08568	30.4
145.06502	10.1
145.10127	4.4
147.04427	6.2
147.08052	34.6
147.11697	6.5
149.09618	2.4
149.13226	1.6
151.07532	1.1
153.06989	4.1
155.06053	2.0
161.05984	3.0
161.09619	74.2
161.13239	2.9
163.07474	1.4
163.11177	6.7
163.14842	1.2
164.67383	1.1
165.09097	1.5
165.12708	2.0
171.08052	23.6
172.53278	1.1
179.10683	5.1
189.09122	57.0
189.12740	3.4
189.16383	2.7
192.09334	1.5
207.02870	2.3
207.06602	3.8
207.10176	30.7
207.13635	5.3
207.17462	5.2
208.05440	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	207.0519
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27693	1.7
53.03935	4.0
55.01880	10.8
55.05490	5.3
56.96568	69.0
57.03438	39.4
58.03752	2.5
58.06602	2.8
58.99851	1.8
59.04998	2.3
61.02928	21.3
65.92631	15.0
67.05506	10.2
68.05875	2.0
68.98287	3.5
69.03431	41.5
70.03760	2.0
70.06588	3.4
70.98101	2.2
71.01343	2.5
71.04999	17.4
71.47559	2.3
71.95273	3.1
73.02922	35.7
74.00264	2.1
74.03250	3.1
74.97591	3.3
77.00822	2.9
79.05474	5.5
80.05031	2.1
80.94968	34.9
81.01027	2.2
81.03419	25.0
81.04517	2.4
81.07054	5.7
82.01430	3.4
83.00787	4.2
83.01320	2.7
83.04981	14.7
83.93650	3.3
84.04482	2.0
84.08150	9.6
84.96049	8.7
85.02910	46.7
85.06538	3.1
85.08469	2.5
86.03230	3.0
86.03687	15.7
86.99358	2.5
87.01022	2.7
87.04471	6.2
89.00783	7.8
89.06032	4.6
90.01543	3.3
91.05496	10.4
93.07059	3.7
95.00779	2.8
95.01335	4.5
95.04961	9.6
95.08608	3.3
96.01567	4.2
96.05322	2.8
97.01398	5.4
97.02886	23.1
97.96796	9.0
98.01292	12.7
98.06089	2.4
98.97588	100.0
99.02982	2.5
99.04459	10.8
99.97926	3.1
100.02495	8.6
100.05246	4.4
101.00855	19.1
101.02374	8.5
103.00623	5.8
103.02396	3.2
104.01300	3.7
105.02068	3.3
105.07032	7.3
106.06660	2.5
107.01828	7.4
107.02557	2.8
107.04937	3.1
107.08583	3.8
108.01547	3.3
109.02885	8.1
109.06522	5.8
110.01314	14.2
110.02043	2.2
110.03211	1.9
110.51477	5.4
110.97565	28.4
111.02031	3.6
111.04440	7.4
112.01014	2.3
112.99133	6.3
113.00842	4.6
113.05987	2.8
114.01549	3.0
114.95439	1.8
115.00652	2.2
115.02425	16.7
115.03978	3.1
115.97821	3.6
116.98634	35.8
117.02046	6.6
117.04019	5.6
117.05586	2.5
117.06947	2.6
118.03529	4.5
119.01870	40.2
119.04941	4.2
119.08566	5.8
119.52000	2.8
120.02663	15.3
121.01626	10.1
121.02921	2.6
121.06508	8.1
121.97577	43.5
122.01211	3.0
122.07143	7.1
123.04398	4.2
123.08031	3.9
124.02628	2.6
124.07610	7.6
124.93906	15.4
124.99110	6.2
125.00878	3.3
126.02583	8.2
127.02396	2.7
127.03932	11.3
128.02338	17.6
128.52493	7.8
128.56087	2.1
128.86293	2.0
128.91121	2.0
128.98616	24.2
129.02104	3.7
129.03098	36.0
129.52246	2.7
131.00186	7.8
131.01869	14.4
131.08594	2.6
132.08112	2.5
132.98965	2.6
133.01659	5.4
133.03442	8.0
133.06494	2.3
133.10117	2.5
134.06049	4.4
134.99666	8.5
135.02057	3.7
135.03087	16.3
135.05161	2.5
136.05251	2.1
136.06192	7.6
137.02844	4.8
137.09618	2.6
138.02518	3.3
139.00673	4.6
139.01576	2.6
139.02521	2.7
140.05565	3.1
140.98544	4.4
141.02188	2.5
141.03960	5.0
141.99429	2.7
142.03537	5.2
142.94951	19.3
143.00182	16.9
143.01883	23.6
144.02600	3.7
144.03601	13.8
144.98105	1.9
145.01669	3.2
145.03432	6.2
145.05005	3.1
146.02359	3.7
146.03502	2.2
146.05977	2.0
146.99670	11.4
147.00696	1.9
147.03075	8.0
147.04279	4.4
147.08084	6.3
147.11641	2.3
149.01190	3.8
149.02951	3.0
149.09592	3.7
150.09195	3.2
153.03090	7.8
154.01965	2.6
154.03822	4.0
154.94171	2.0
155.00146	5.2
155.01888	6.4
156.01976	2.1
156.03629	13.8
157.01746	12.0
157.03484	8.9
158.02361	2.5
158.06688	3.5
158.99661	17.7
159.01471	1.9
159.03094	9.9
159.05019	3.3
160.00378	4.2
160.03799	2.6
160.96025	26.0
161.01257	13.3
161.02969	76.9
161.05887	5.7
161.08003	2.2
161.09647	3.1
162.03638	34.4
162.05473	18.1
162.53741	2.8
162.99100	2.4
163.04536	2.6
163.05933	3.8
165.00626	2.7
165.04070	4.8
165.07375	3.2
165.96544	42.6
166.03644	7.6
167.01906	3.8
168.03621	17.9
169.04570	4.5
170.99686	7.6
171.04070	13.3
171.54395	2.5
173.01260	5.6
173.02950	8.1
174.03384	3.4
174.98933	2.6
175.02698	6.3
175.04405	9.6
176.03302	3.2
176.51700	2.4
177.00728	13.6
177.04181	27.8
177.05562	4.3
177.07709	3.2
178.08215	22.3
179.02417	3.6
179.03995	12.7
179.06967	2.8
182.55019	3.2
182.99695	4.8
183.97607	45.0
184.04544	49.6
185.01208	7.2
185.02971	26.2
186.04723	4.1
188.53529	2.8
189.00725	5.2
189.04128	6.4
189.09338	2.2
189.12747	2.5
191.02328	3.1
198.04651	15.7
199.08238	2.6
201.00710	9.4
202.01134	3.1
202.05609	9.6
203.02319	7.9
203.04015	11.8
206.99568	2.9
207.01453	2.7
207.05014	26.4
207.06689	4.4
207.12163	72.6
207.15056	8.1
208.04391	4.2
208.06104	7.1
219.01796	6.5
221.03284	3.0
221.05254	2.7
224.98238	3.3
225.02525	2.8
225.05998	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	206.1176
Annotation	Bellendine
Peak:m/z	Relative Intensity
53.03938	0.5
55.01862	1.1
55.05508	0.7
56.05061	0.3
56.96565	2.6
57.03436	3.4
58.06587	0.8
59.04995	0.5
60.04514	0.5
61.02926	4.0
65.03934	0.4
66.01421	0.3
67.05488	0.7
67.59444	0.3
68.05017	0.5
69.03427	2.3
69.79438	1.1
69.79845	0.6
70.06584	0.7
71.04983	1.3
73.02923	3.1
79.05482	0.5
80.05027	1.5
81.03424	1.6
81.07042	0.4
82.06583	1.6
82.99901	0.4
83.04965	0.5
84.04498	0.8
84.08145	17.9
84.96012	0.4
85.02905	2.5
86.03674	1.2
87.00740	0.3
89.00831	0.4
90.05548	0.4
91.05460	1.0
94.06536	0.3
94.85497	0.3
95.04982	0.6
96.08127	1.0
97.02912	1.8
98.01321	0.4
98.20853	0.5
98.67960	0.3
98.97600	3.4
99.04437	0.5
100.05232	0.4
101.00869	2.6
102.00958	0.6
102.02360	0.4
103.00628	0.5
103.02374	0.4
103.03175	0.3
103.05453	0.3
105.07033	0.6
107.04966	0.5
108.02411	0.3
109.02902	1.0
110.01315	1.6
110.02004	0.3
110.06034	1.0
110.97565	1.4
111.04462	0.4
112.03700	0.7
113.00871	0.6
115.00596	0.3
115.02404	1.0
115.05451	0.9
116.98637	0.7
117.02889	0.3
117.07074	0.4
118.01102	0.4
119.01881	3.6
119.04931	0.5
120.02007	1.0
121.01694	0.6
121.02951	0.3
121.04212	1.0
122.05272	0.3
122.06000	1.5
123.04435	0.5
124.07590	5.0
124.99097	0.4
125.05939	0.4
126.02541	0.5
127.02403	0.3
127.04139	0.9
128.02315	2.6
128.06265	1.7
128.98601	1.0
129.02043	0.4
130.04121	0.3
131.01917	0.9
131.04945	0.4
131.07335	0.5
131.08568	1.9
132.02016	0.4
132.06584	0.4
133.01614	0.4
133.03416	0.8
133.06526	0.4
134.06050	0.5
137.01819	0.5
137.02844	0.8
137.05968	0.9
139.02437	0.4
140.07101	0.5
140.98618	0.4
141.07103	0.3
142.08643	2.0
143.00162	0.4
143.01865	1.2
143.08559	3.9
145.01617	0.4
145.03465	0.6
146.06018	0.7
147.04240	0.5
148.05194	2.1
149.04686	0.6
149.05930	0.7
152.02277	0.4
152.07095	0.4
155.00166	0.6
155.01834	0.7
155.52872	0.3
157.03474	1.1
158.99673	0.9
159.06845	0.6
159.08055	2.2
160.05243	2.9
160.07603	0.9
160.09935	0.5
160.11201	2.0
161.03008	1.7
161.05991	3.4
162.03442	0.7
162.05476	5.4
162.06589	0.4
163.06334	0.7
164.07080	6.7
165.03070	0.4
165.07324	0.3
166.03711	0.3
170.03593	0.3
170.08168	1.6
170.99672	0.5
171.08026	3.4
173.01271	0.5
173.02901	0.5
174.06789	0.7
176.07106	3.2
177.00810	0.5
177.07852	53.3
178.08446	1.1
182.99641	0.6
184.04567	0.5
185.01295	0.3
185.02921	0.4
188.09177	1.7
188.10750	3.9
189.00717	0.6
189.09102	1.9
190.08649	0.3
201.00702	1.2
201.02486	0.5
201.04257	0.3
201.06097	0.4
204.10266	1.0
205.05653	0.7
206.07214	3.1
206.10329	3.9
206.11775	100.0
207.05267	0.5
207.12102	1.5
219.01836	0.4
223.06682	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28381	0.6
53.03952	0.9
55.05514	8.8
55.36799	0.5
56.72648	0.5
57.03442	1.5
65.03962	0.6
65.95700	0.5
69.03427	0.6
70.29681	1.3
70.30077	0.8
71.05005	1.6
76.47975	0.5
79.05493	3.1
80.29458	0.6
91.05484	6.5
92.06268	1.5
93.03401	0.9
93.07014	2.6
95.04989	1.3
98.20834	0.6
103.05499	0.9
105.03391	1.4
105.07048	1.9
106.04203	0.8
106.06561	10.3
107.04954	19.3
107.08559	1.0
116.04998	0.9
117.05773	0.6
118.06586	0.7
119.04973	1.2
119.08619	1.0
120.05754	2.9
120.08093	0.5
121.06502	8.0
121.10125	0.7
123.04430	30.0
131.04991	0.5
131.08568	6.3
133.06490	2.3
134.03651	3.8
134.06017	17.4
135.04413	21.3
135.06784	6.5
135.08055	2.5
144.05692	1.2
147.04408	17.4
147.08092	0.7
148.05194	57.4
149.05998	4.5
149.09599	4.6
150.02705	0.6
152.07068	1.7
159.08003	2.8
160.11159	0.6
161.05998	0.7
161.09583	0.6
164.07068	55.3
165.07359	0.8
176.08321	4.1
177.09108	100.0
178.09430	1.5
188.10672	2.9
189.09119	6.5
206.11760	28.6
207.11943	0.6
215.83040	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	1.2
55.01893	0.7
55.05513	7.8
57.03464	0.9
64.29247	0.4
65.03959	0.9
65.46976	0.5
67.05506	4.0
68.94986	0.5
69.03449	1.2
71.05032	1.4
79.05486	4.9
81.07098	1.0
85.02952	1.9
85.39587	0.5
91.05486	6.8
92.06307	1.5
93.03433	0.7
93.07049	2.8
94.06615	0.5
95.04964	2.9
95.08641	1.2
96.04539	1.0
103.05489	1.2
105.03415	1.1
105.07034	3.0
106.04201	1.1
106.06551	9.2
107.04961	16.8
107.08604	1.1
108.08125	3.1
109.06512	0.7
110.06074	1.4
115.05502	0.9
117.05763	0.7
117.07073	0.9
118.06572	1.0
119.04964	1.9
119.08606	1.4
120.05745	3.0
120.08125	0.8
121.06501	8.8
121.10108	1.0
122.06075	1.1
122.09698	1.0
123.04425	30.5
125.06027	0.7
128.06265	0.6
131.04948	0.7
131.08563	6.2
133.05530	1.0
133.06516	3.8
133.10104	0.7
134.03679	2.8
134.06010	19.9
134.06992	1.1
135.04416	20.5
135.06824	6.8
135.08073	2.4
136.07616	1.0
136.39644	0.5
137.06006	1.2
138.06380	0.8
140.07021	0.7
144.05646	1.4
147.04405	15.7
147.08070	1.2
147.11633	0.7
148.05188	54.6
149.06023	5.3
149.09610	4.5
150.02672	1.2
150.09157	5.6
152.07063	2.0
158.09787	0.6
159.08041	3.2
160.05202	0.7
160.11194	0.5
161.06000	1.2
161.09531	0.9
164.07063	50.4
165.07396	0.5
176.08342	4.2
177.09103	100.0
178.08580	13.8
188.10706	2.3
189.09079	7.2
199.09204	0.5
206.08115	14.9
206.11731	28.1
207.13776	1.1
216.07030	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0813
Annotation	Oxyhydrastinine
Peak:m/z	Relative Intensity
53.03945	1.3
54.03474	1.2
55.05509	0.5
57.03437	1.4
62.71624	0.4
65.03952	2.6
66.04281	0.4
67.05505	23.8
68.06303	0.7
69.07069	1.1
70.92976	0.9
70.93332	0.7
79.05497	5.8
80.05021	1.0
81.07053	2.4
82.02927	4.0
82.06567	0.8
84.04510	1.8
91.05488	1.7
93.05804	1.0
93.07027	0.5
94.06561	2.6
95.04971	13.0
95.05577	0.8
95.08592	0.6
96.04495	5.1
96.05729	1.2
103.05495	0.8
105.07034	3.5
106.06539	1.7
107.04958	2.3
107.07336	4.4
108.08117	19.0
109.83871	0.4
110.02419	1.1
110.06042	6.6
115.05489	0.8
117.05788	0.6
118.06546	0.6
120.08109	2.8
121.02880	2.7
121.06516	0.6
122.03204	6.1
122.05280	0.4
122.06031	2.1
122.09668	8.3
124.07533	0.7
125.05932	0.5
125.73840	0.4
128.06230	0.7
132.08101	1.5
133.06491	4.3
133.10089	0.6
134.06030	1.2
135.04401	0.9
135.06779	2.1
145.02921	0.4
146.05983	0.5
146.07129	0.4
148.07602	0.5
149.02440	0.6
150.02669	0.6
150.09145	37.3
153.05534	0.9
160.07509	0.5
161.09598	0.8
177.01932	0.5
177.07854	0.6
177.09128	5.2
178.08636	100.0
179.08961	1.1
188.07086	0.6
189.09109	12.8
189.10771	0.8
191.14365	0.5
196.18135	0.4
206.01636	1.2
206.08127	62.0
206.11597	1.5
207.08458	0.8
224.02724	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0813
Annotation	5-Methoxyindoleacetate
Peak:m/z	Relative Intensity
53.03932	0.4
57.07060	0.2
65.03915	0.3
67.05505	0.5
68.99801	0.4
69.07072	0.4
70.02950	0.9
71.48601	0.2
71.49015	0.4
79.05493	0.5
79.26275	0.2
80.53816	0.2
81.03421	0.3
81.07050	0.3
87.00832	2.1
91.05486	3.4
92.05806	0.4
93.07055	2.8
95.04961	0.7
98.97598	0.4
99.37941	0.3
103.05473	14.7
104.05024	0.3
105.07069	0.6
107.05016	0.3
108.08155	0.2
115.05421	0.3
117.05792	0.3
117.07030	0.5
118.06553	17.9
119.04974	0.4
119.08582	0.5
120.08113	100.0
121.02949	0.4
121.06499	0.4
121.08450	0.9
122.03201	0.5
128.04982	1.8
131.04959	0.3
132.08110	0.3
135.08063	0.4
137.06006	0.9
138.06360	0.5
145.06448	0.5
146.06015	14.4
147.04431	0.4
147.08083	0.6
148.05238	0.3
149.02333	0.9
150.02698	1.6
150.09171	0.7
158.58235	0.2
160.06419	0.2
160.07567	0.5
161.06035	0.7
161.09570	0.3
163.07558	0.4
164.06981	0.3
170.05850	0.3
177.07828	0.6
177.09187	0.6
178.08672	2.3
180.59308	0.2
188.07071	10.1
189.09103	0.7
191.14360	0.3
199.30418	0.3
203.61633	0.2
206.08122	7.4
206.11975	1.5
206.15454	0.8
207.10112	0.4
216.01271	0.2
224.02737	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1953
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03951	2.3
55.05516	22.8
57.07082	21.5
65.03939	4.6
67.05505	13.1
69.07073	31.0
69.63087	11.0
71.06111	2.1
71.08647	1.9
79.05499	11.9
81.07063	20.5
83.08636	17.7
84.26598	1.5
85.04849	1.9
86.03391	1.5
88.02244	2.4
88.10156	1.7
91.05487	8.4
93.03378	1.8
93.07055	42.3
95.08614	38.6
97.02879	2.2
97.10172	9.9
105.07034	10.6
107.07881	3.8
107.08603	62.3
109.10165	40.2
111.11723	2.9
113.96422	3.9
116.05308	3.1
119.08597	4.9
121.02889	12.5
121.03996	3.8
121.10149	80.3
123.11712	29.7
127.05852	3.0
131.97496	2.1
133.10092	3.4
135.10712	3.0
135.11705	49.0
137.13284	4.4
145.10117	4.3
147.11705	4.4
149.02356	100.0
149.09604	3.2
149.13277	50.3
159.11722	1.8
161.09627	1.5
163.07460	1.6
163.11212	1.7
163.14818	19.5
177.12766	2.2
177.16367	2.0
190.09839	3.7
205.08978	4.0
205.12265	13.6
205.14137	3.5
205.15923	7.6
205.19537	55.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1951
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03946	1.9
55.05511	20.7
57.07076	20.6
58.09488	1.3
60.04524	3.3
65.03956	7.0
67.05506	14.9
69.07068	26.7
69.59544	7.7
71.08637	1.9
72.93779	3.6
79.05493	18.1
81.03410	1.4
81.07054	58.9
83.08635	11.1
91.05472	11.6
93.03388	1.4
93.07047	60.3
95.04961	3.4
95.08601	43.9
97.02887	3.1
97.04833	1.9
97.10154	9.5
105.07034	9.1
107.08592	56.2
107.09313	2.9
109.10159	38.1
111.04440	2.2
111.11725	4.3
113.96397	10.9
117.07038	1.9
119.08575	3.2
120.65484	1.3
121.02863	15.0
121.03966	3.1
121.10143	94.7
123.11703	22.1
127.05862	2.0
131.08514	2.0
131.97444	5.2
133.10143	1.8
135.11690	38.3
137.13292	3.1
145.10120	3.4
147.11707	2.1
149.02345	100.0
149.13266	66.1
149.14185	1.3
150.13588	1.3
159.11725	1.6
163.14799	6.8
167.03456	1.6
177.12827	1.3
187.14783	1.5
205.08716	3.3
205.12340	2.9
205.14171	2.4
205.15895	5.0
205.19536	41.8
212.61028	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.195
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03954	2.7
54.70985	2.2
55.05507	29.9
55.16507	2.6
57.07075	20.5
60.74731	2.6
65.03933	5.4
67.05506	15.4
69.03415	3.4
69.07069	47.3
71.49585	4.1
79.05497	17.8
81.07058	32.3
81.42591	2.6
83.08603	28.7
85.04868	2.3
91.05459	13.8
91.14347	2.8
93.03400	2.2
93.07043	55.6
95.04938	4.5
95.08604	59.6
97.02879	6.3
97.04847	2.7
97.07647	2.3
97.10160	18.3
98.03238	3.4
105.07011	21.5
107.07880	5.0
107.08594	89.9
109.10160	67.4
111.11745	3.6
119.08556	7.6
121.02854	14.8
121.10142	100.0
123.10847	3.0
123.11706	42.9
126.05507	3.7
127.05819	5.9
131.08551	6.9
133.10150	5.2
135.08038	7.2
135.11688	72.3
137.13258	3.3
145.10135	14.8
147.11697	5.6
149.01163	5.2
149.02338	87.5
149.09610	3.3
149.13249	69.0
159.11676	7.2
161.13229	4.5
163.09821	3.8
163.11177	3.6
163.14818	24.9
187.11232	3.1
187.14832	4.1
195.96771	2.3
202.30875	2.2
205.08884	6.0
205.12173	10.5
205.14169	5.4
205.15942	23.3
205.19511	83.0
206.11734	3.7
223.02312	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1952
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03958	1.7
53.91806	0.7
55.01880	0.8
55.05268	1.3
55.05515	13.1
57.03439	0.8
57.07078	8.4
60.04522	3.3
65.03938	5.3
67.05507	100.0
69.03436	1.2
69.07070	12.3
71.06123	0.9
71.08628	1.4
71.48628	0.8
72.93787	0.7
79.05495	39.6
81.03413	2.2
81.07058	82.2
82.07399	1.1
83.08620	8.6
84.04486	1.2
85.02897	1.3
91.05478	8.2
93.03399	1.0
93.07047	48.0
95.04996	3.7
95.08610	40.0
96.04485	1.0
97.02882	3.9
97.04852	1.4
97.10168	3.2
98.03239	0.9
104.19504	0.7
105.04534	1.1
105.07031	6.0
107.04971	1.7
107.08598	26.5
109.06525	1.1
109.10158	28.7
110.10555	0.7
111.11710	0.7
113.96414	3.2
116.05291	0.9
117.07050	3.5
119.08587	3.3
121.02878	6.8
121.03969	1.9
121.06548	1.8
121.10149	70.5
122.10503	0.9
123.08056	1.9
123.11714	34.3
127.05889	2.3
129.02100	0.7
129.06999	0.7
130.07803	0.8
131.08557	2.5
131.97418	1.1
133.06549	0.8
133.10133	1.4
133.17746	0.7
134.10895	0.6
135.08067	1.7
135.11696	50.0
136.12018	0.8
137.09601	1.0
137.13255	5.4
143.08566	2.1
145.06482	1.3
145.10129	7.2
147.08160	0.9
147.11639	0.9
148.08803	1.2
149.02351	42.7
149.09650	3.1
149.13268	17.8
159.11703	3.4
162.10370	0.8
163.07623	0.8
163.11230	3.4
163.14828	5.9
169.10204	0.9
176.11946	0.7
177.05490	0.9
177.12794	1.8
187.11226	1.4
187.14775	1.2
190.11815	0.8
205.05013	1.0
205.08823	2.1
205.12195	3.5
205.14249	4.5
205.15892	72.4
205.19507	54.2
206.16219	1.9
206.19843	1.5
223.02322	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1586
Annotation	Gibbilimbol C
Peak:m/z	Relative Intensity
53.03943	1.0
54.21132	0.8
55.01862	1.6
55.05508	3.4
55.75563	0.9
57.07084	6.2
60.82435	0.7
65.03928	2.6
67.05509	1.9
69.03419	1.8
69.07069	5.6
69.74888	3.3
76.15052	0.7
77.40198	0.7
77.48812	0.7
79.05522	4.9
81.03388	0.7
81.07044	3.2
82.82256	0.8
83.04958	0.8
83.08593	1.4
84.04527	1.2
85.04854	1.0
87.24522	0.8
91.05484	18.8
93.03404	1.0
93.07048	15.8
95.04980	0.7
95.08598	3.0
97.02875	1.7
97.06499	1.1
98.20776	1.8
103.05460	1.0
105.07039	10.7
107.04966	5.2
107.08595	23.1
109.06514	1.8
109.10162	1.8
109.29777	0.8
115.05445	10.9
116.06221	3.8
117.07008	8.2
119.06043	1.0
119.08568	4.5
121.02869	4.4
121.04052	0.8
121.06501	4.3
121.10151	10.5
122.07177	1.0
123.08060	3.0
123.11697	1.4
127.05858	2.1
129.06999	2.3
130.07756	1.8
131.07603	1.8
131.08577	35.0
133.10138	1.3
135.08063	61.4
135.11697	3.2
143.08569	1.6
145.10126	11.3
147.11731	1.1
149.02347	34.7
149.09630	57.6
149.13245	1.6
159.11615	1.8
162.03137	1.0
163.11234	2.4
163.14815	1.8
177.12743	1.4
187.14816	3.3
205.09042	2.8
205.12030	2.9
205.15892	100.0
206.16296	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.9
55.01683	1.5
55.01877	16.9
55.05507	5.2
56.05030	4.8
56.96569	14.3
57.03442	17.6
58.02957	1.9
60.04528	100.0
61.02929	17.0
63.92940	3.5
65.03947	2.8
67.05507	12.7
68.05029	25.7
69.03436	20.8
69.07068	18.3
70.02951	3.7
70.06588	4.2
71.01389	2.4
71.04994	3.5
71.48858	2.9
72.04503	4.4
73.02918	31.4
73.06544	1.8
78.95267	4.3
79.05497	25.9
80.05010	20.4
80.50205	1.7
81.03414	12.9
81.07063	18.7
82.99855	3.2
83.01347	2.2
83.04974	5.3
83.08603	2.8
84.04507	42.7
84.08164	2.9
85.02909	43.0
86.06110	1.8
87.01880	3.4
89.56053	1.6
91.05484	9.8
92.05032	2.1
93.07040	7.0
94.06567	17.6
95.04961	5.2
95.08610	38.7
96.02422	3.7
96.04491	52.7
97.02895	68.3
97.06525	5.5
98.06065	6.2
98.97579	12.7
99.04438	10.3
100.03993	2.9
101.00883	17.0
102.00930	10.4
102.02403	5.3
102.05529	2.2
102.96849	3.3
103.00639	4.7
103.03976	2.9
105.07059	8.9
106.02654	2.3
107.04967	3.5
107.08594	8.3
108.02401	2.3
108.08121	9.0
109.02882	8.3
109.06520	6.0
110.01270	2.0
110.06054	9.2
111.02940	3.1
111.08067	5.0
112.07603	6.7
113.00864	6.5
113.06033	1.7
114.05528	35.0
115.03971	2.5
115.05898	2.1
116.98608	4.0
117.02905	2.2
117.06960	2.3
118.06567	4.1
119.01889	16.6
119.08579	4.4
119.97894	6.2
120.01994	11.9
120.08109	5.3
121.01674	6.0
121.02894	5.2
122.06038	38.5
122.09655	15.7
123.02935	6.0
123.08073	7.2
123.52937	2.1
125.05936	2.3
125.09608	6.7
126.05520	40.3
126.09138	2.9
127.02423	3.4
127.03901	9.2
130.06537	3.2
130.08638	3.0
131.01874	10.4
131.06818	4.1
132.02213	2.9
132.03432	4.3
135.02977	3.5
138.03418	6.9
138.05493	10.7
138.09151	5.6
139.02423	2.0
140.07079	30.0
140.10733	4.1
140.95239	2.6
143.00156	2.5
143.01910	21.1
143.07060	3.2
144.02042	7.5
144.03400	3.9
144.06555	5.9
145.03419	4.2
145.05005	5.2
147.06781	6.6
148.07594	10.0
148.11211	5.1
149.02318	10.4
150.09138	20.1
151.07565	15.9
153.03955	6.7
155.01897	18.6
156.03386	2.6
156.06566	5.1
156.10141	2.5
157.03532	5.4
157.97612	2.3
158.03600	2.8
158.06046	2.1
158.08046	23.2
161.02957	16.8
162.03105	19.0
163.02673	5.9
163.96820	4.8
167.01886	3.8
168.06564	20.4
168.10190	34.0
169.03484	2.2
169.08583	4.8
171.05128	2.9
173.02957	20.6
174.03102	4.1
174.04457	3.3
174.11223	3.7
175.02826	2.2
175.04532	2.1
176.07112	4.6
176.10721	30.9
181.01947	1.9
181.03555	4.5
181.97913	5.7
183.05096	2.4
185.02928	9.8
186.07692	12.3
186.09055	2.3
186.09799	1.6
186.11278	10.8
187.04559	2.8
189.11473	2.6
192.05554	3.1
199.04517	2.7
203.04033	9.6
204.06676	4.8
204.08650	53.7
204.10303	15.4
204.12286	18.3
204.13875	19.5
221.05133	4.7
222.03055	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	204.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	3.7
55.01868	1.0
55.44791	0.5
56.05033	1.6
56.96579	0.6
57.03445	0.7
57.07079	1.0
59.36156	0.5
59.93111	0.6
60.04526	27.9
61.02926	1.9
65.03938	1.2
68.05023	6.4
69.00904	1.3
69.03436	1.9
69.86566	2.5
72.04514	1.0
75.51868	0.6
77.03946	1.6
81.03433	1.5
81.07065	1.0
84.04503	14.8
85.02904	5.1
85.07675	4.5
91.05449	0.7
92.05008	11.4
94.06566	0.6
95.04982	3.8
96.04495	14.5
97.02892	13.8
98.06055	3.2
99.04456	2.0
105.04523	1.7
105.07040	1.0
106.07365	1.1
108.04544	1.0
109.02856	1.5
110.06023	3.7
110.82905	0.6
114.05533	12.4
116.95218	2.6
117.04504	1.1
119.06067	100.0
120.04465	13.6
120.06405	0.8
120.08881	1.2
121.02868	1.2
121.06534	0.5
122.06018	0.6
124.03928	0.6
126.05516	19.8
127.03896	1.8
131.97501	0.6
134.30894	0.5
134.96207	0.6
138.05496	3.0
144.05560	0.8
144.06557	3.2
145.03973	13.4
145.04979	1.3
148.07474	0.8
149.02350	4.8
156.06555	1.9
161.10635	1.4
162.06624	64.5
168.06564	3.0
174.09193	1.1
176.06976	0.8
176.10611	0.8
186.07611	2.3
186.13557	0.6
188.10680	2.7
189.11485	4.0
204.06653	0.9
204.08618	13.0
204.10240	0.7
204.11479	1.7
204.13826	26.7
205.12337	0.7
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	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03941	1.1
55.01860	0.9
55.05517	10.8
57.07072	5.4
58.97349	0.9
59.96850	0.9
60.04533	6.5
67.05182	1.7
67.05508	20.3
68.05033	1.8
69.07070	16.6
69.46033	5.2
69.46448	2.0
71.08632	1.1
79.05489	11.4
81.07059	40.2
83.08649	4.4
84.04491	6.2
85.02898	2.0
85.85908	1.1
91.05486	21.3
93.06494	1.6
93.07053	22.1
95.04988	2.5
95.08611	56.0
96.04494	4.9
97.02896	4.3
97.10152	1.1
103.05458	1.3
105.07035	99.7
107.08601	29.7
109.06535	1.3
109.10166	34.8
109.10925	1.6
114.05511	4.8
117.07014	4.3
119.08588	59.8
121.06547	1.0
121.10149	20.0
123.08089	1.3
123.11720	6.5
126.05516	9.1
128.06270	1.2
129.06984	3.1
131.08560	8.3
132.09424	1.1
133.10139	56.2
135.11671	4.7
142.07813	1.4
143.08565	3.9
145.10158	12.0
147.08015	2.7
147.11694	78.1
156.09300	1.0
157.10101	4.5
159.11719	12.3
160.12466	3.1
161.09660	6.0
161.11993	1.8
161.13277	25.9
168.06525	1.3
170.10963	1.5
173.13303	1.3
174.14069	1.0
175.07422	1.3
175.11172	1.9
175.14847	13.2
181.62138	1.0
185.13257	5.4
189.11462	1.6
203.06970	1.4
203.10725	3.5
203.14369	20.6
203.17967	100.0
204.08650	3.9
204.13789	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	203.1796
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
50.04099	0.8
51.02367	1.0
53.03936	2.1
55.05281	1.1
55.05514	14.3
57.03423	1.4
57.07057	4.2
58.33169	0.9
59.05013	1.2
60.04532	7.1
65.03941	1.1
67.05512	17.3
68.05018	2.6
69.03422	1.3
69.07072	18.3
69.47115	7.2
71.20393	0.9
79.05498	10.2
81.06593	1.6
81.07059	23.2
83.08626	5.6
84.04508	5.9
85.02889	1.5
85.88503	0.9
91.04916	1.3
91.05486	25.3
93.07047	18.3
95.04974	4.3
95.08614	50.1
96.04497	4.5
97.02911	5.4
97.06529	1.0
97.10148	1.9
103.05475	2.3
105.07037	61.8
107.08598	36.9
109.06505	3.2
109.10167	28.3
110.06019	1.6
114.05530	5.2
115.05458	2.7
116.06242	1.3
117.07034	9.0
119.08588	76.2
119.28967	0.9
121.06477	2.1
121.10139	16.5
123.08051	1.2
123.11737	4.7
126.05527	7.1
128.06195	3.3
129.06999	6.5
131.08574	50.4
133.06482	2.7
133.10139	87.3
135.08067	2.4
135.11702	4.4
142.07805	3.2
143.08586	9.1
144.06567	1.6
144.09320	1.9
145.06462	2.0
145.10126	18.2
147.08049	4.1
147.11697	60.9
155.08585	1.6
156.09312	2.8
157.10109	8.8
159.08086	1.7
159.11703	15.6
160.08838	1.4
160.12462	2.4
161.09637	9.0
161.10881	1.3
161.13269	33.8
169.35056	0.9
170.10912	3.5
173.13280	29.6
174.14015	4.8
175.07527	1.5
175.11221	1.9
175.14839	15.7
179.14331	2.7
185.09695	1.3
185.13283	16.4
188.12016	1.2
189.11441	2.1
203.05212	1.0
203.06963	2.2
203.10706	7.4
203.14340	52.3
203.17969	100.0
204.08678	4.2
204.13770	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	203.1796
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
50.57077	0.7
53.03927	2.0
55.01824	0.8
55.05511	12.0
57.07067	3.8
58.34839	0.8
60.04532	5.5
60.06373	0.8
65.03941	0.8
67.05505	17.4
68.05007	2.1
69.03418	1.9
69.07066	14.2
69.51260	4.4
69.51673	2.0
75.83456	0.8
76.94984	0.8
77.03899	1.4
78.31910	0.7
79.05490	11.0
81.07053	37.1
83.08598	3.8
84.04501	5.7
85.02890	1.6
91.05483	18.7
93.07047	19.7
95.04955	3.4
95.08607	45.4
96.04473	3.9
97.02882	4.0
97.10148	1.6
98.21436	1.2
103.05454	1.1
103.32016	1.0
104.33945	0.8
105.07032	100.0
107.08593	24.2
109.06530	1.5
109.10157	29.1
114.05511	3.7
117.06997	4.6
119.08582	55.3
120.96513	1.2
121.06486	1.3
121.10147	15.3
123.08041	1.5
123.11697	7.1
126.05516	5.7
129.06996	3.3
131.08559	7.6
133.10136	42.7
135.11685	4.2
138.05466	1.0
142.07779	2.0
143.08586	4.8
145.06406	0.9
145.10127	9.5
146.07259	1.1
147.08054	2.1
147.11690	64.9
148.12457	1.2
157.10103	3.8
159.11693	8.1
160.08827	1.0
160.12494	1.2
161.09621	16.4
161.13268	20.4
168.06557	1.0
170.10912	1.4
173.13309	1.8
174.14008	1.1
175.07494	1.6
175.11151	2.2
175.14822	8.2
179.97809	1.0
185.13226	5.2
188.10503	1.0
203.05273	1.0
203.07028	1.2
203.10695	8.8
203.14328	17.2
203.17960	64.2
204.08678	3.8
204.13818	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	203.1432
Annotation	Dehydrochamecynenol
Peak:m/z	Relative Intensity
55.05510	3.9
58.90057	0.8
59.04990	2.9
60.04511	3.4
62.98397	0.8
65.49250	0.8
67.05501	6.3
68.04991	1.0
69.03438	1.0
69.07060	3.7
71.04996	8.8
71.49223	1.0
79.05497	6.5
81.07055	19.1
84.04466	1.1
91.05484	20.1
91.20495	0.8
93.07054	10.9
95.04969	2.1
95.07990	1.0
95.08607	18.8
96.04483	1.7
97.02931	1.2
97.06488	0.9
103.05461	1.0
105.07034	31.3
107.07976	1.1
107.08604	11.4
109.06510	3.5
109.10166	6.9
112.30581	0.8
114.05524	1.2
115.05460	5.0
116.06210	1.3
117.07024	68.4
119.04949	1.0
119.08585	43.8
121.06506	3.0
121.10158	5.7
123.08104	4.7
123.11694	2.4
126.05525	1.8
126.75919	0.9
128.06212	7.8
129.07014	15.8
130.07791	9.3
131.08572	67.4
133.06508	2.8
133.10141	30.0
135.07996	1.0
135.11722	1.4
141.06960	4.1
142.07780	8.7
143.08562	24.8
144.05725	1.1
144.09326	3.6
145.09067	1.5
145.10136	22.6
146.10678	0.8
147.08040	4.7
147.11696	15.5
155.06094	0.8
155.08553	1.9
156.09364	6.3
157.06448	1.8
157.10138	30.6
159.11696	100.0
160.12250	3.5
161.06013	8.5
161.09637	12.2
161.12001	1.6
161.13260	23.2
170.10890	3.0
175.07523	3.9
175.11176	2.6
175.14825	6.5
185.13269	36.1
203.07033	4.0
203.10640	3.7
203.14319	85.4
203.17934	21.1
204.14616	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	203.1431
Annotation	Anisoxide
Peak:m/z	Relative Intensity
52.66101	0.3
53.03930	0.8
55.05513	1.4
57.07076	0.7
60.04526	1.4
60.92900	0.3
67.05499	2.9
68.05046	0.4
69.07076	2.8
69.16821	2.9
69.17233	0.5
71.05014	0.4
79.05495	4.5
81.07062	5.5
83.04978	1.1
83.08632	0.9
84.04496	0.6
85.02901	0.4
87.34034	0.4
87.64065	0.3
91.05495	2.8
93.07042	2.9
95.04980	1.6
95.08617	7.7
96.04487	0.6
97.02892	0.9
97.06536	0.5
98.21479	0.7
103.05482	1.4
105.07035	21.2
106.07341	0.4
107.08590	4.4
109.06542	0.7
109.10155	4.4
114.05548	0.5
117.07040	1.3
119.08593	11.5
120.05717	0.4
121.06489	1.1
121.10130	2.3
123.08077	2.8
123.11724	0.7
126.05513	0.8
128.06230	0.6
129.07019	0.8
131.08551	1.8
133.06499	100.0
133.10109	6.4
134.06819	1.0
135.11681	0.5
142.07770	1.1
143.08582	1.8
145.10112	2.4
147.04413	0.4
147.08058	2.4
147.10529	0.4
147.11696	8.8
155.08542	0.4
157.06458	0.6
157.07613	0.3
157.10124	2.7
158.88011	0.3
159.08092	0.5
159.11713	2.6
160.08786	0.4
160.12387	0.4
161.06035	0.7
161.09613	3.9
161.13254	4.9
170.10922	1.6
175.07509	0.7
175.11269	0.6
175.14833	1.7
179.32060	0.3
185.09702	0.3
185.13263	6.6
203.07021	0.7
203.10585	1.3
203.14322	39.8
203.17934	10.6
204.08611	0.4
204.14392	0.7
220.66730	0.3
221.50966	0.4
223.41252	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0526
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01703	1.6
69.50431	12.3
70.06589	1.8
93.12258	1.6
98.21429	2.3
131.63121	1.8
143.01903	2.2
203.05273	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.7
55.05510	3.3
56.05040	6.7
56.96573	6.0
57.07078	28.7
58.07395	0.8
59.04988	0.8
60.04528	5.6
61.02937	1.1
61.92857	0.9
66.37233	0.6
67.05507	0.8
68.05029	2.6
69.03429	1.8
69.89600	2.8
70.06581	2.5
72.04498	0.9
72.08138	1.7
73.02897	1.1
74.06111	1.2
74.09722	90.9
79.05479	0.9
81.03410	1.1
81.07060	1.6
83.04993	0.7
83.06104	2.7
83.08631	1.2
84.04508	100.0
84.08141	0.7
85.02903	7.2
85.04818	0.8
86.06081	1.2
90.94850	1.3
91.05483	5.0
93.07046	1.2
96.04493	2.5
97.02898	3.7
98.97595	7.5
99.04482	0.7
100.03981	2.8
101.01028	0.7
101.01757	1.6
101.04333	2.0
102.05554	9.0
105.07060	2.0
110.06056	0.7
110.97717	0.8
114.05534	9.5
115.05402	0.8
116.98629	2.9
117.07056	1.3
117.35258	0.7
117.68941	0.7
119.01868	2.3
119.04984	1.1
119.08601	3.1
120.08092	1.1
120.96535	2.8
126.05537	2.8
128.03473	1.2
129.03778	1.5
129.06970	1.9
130.05009	40.4
132.10129	0.8
132.95876	2.0
133.10123	1.0
134.99667	1.1
135.98878	1.4
138.05515	0.9
142.07756	0.9
142.38626	0.7
146.06015	0.8
147.02271	1.1
147.04384	4.6
147.06828	2.4
147.08014	1.4
148.07594	1.9
148.11272	1.5
148.97743	0.8
150.96909	1.4
156.10320	0.9
156.96277	0.9
157.06496	2.3
157.07689	1.4
157.10638	1.9
157.13367	18.9
158.99675	1.3
160.05225	0.9
161.03023	0.8
161.06007	1.6
161.09631	0.8
168.06657	1.1
175.03976	1.0
175.07565	2.5
176.10709	7.9
177.00752	1.0
179.97922	2.5
182.05247	1.0
185.09692	1.3
185.13232	1.1
186.11258	73.2
191.05798	2.5
203.03412	2.2
203.05307	4.5
203.07071	2.2
203.08517	1.2
203.10698	7.6
203.13954	14.1
204.06918	1.0
204.08696	2.0
204.10245	3.7
204.14006	0.8
215.81834	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	22.9
56.09725	2.1
56.96574	17.1
57.07065	8.9
61.04055	4.0
67.05490	7.8
69.07056	10.9
70.01226	2.5
70.38673	9.0
74.88846	2.9
79.05489	6.8
81.07049	9.3
81.33396	2.4
84.04474	3.3
86.06084	12.1
91.05477	18.1
93.07067	6.1
95.08614	7.8
96.08939	3.7
97.06538	21.7
97.42254	2.9
99.61777	2.6
103.08685	5.8
105.07024	18.7
106.07368	6.0
107.08608	4.2
108.94283	12.5
109.10133	5.7
110.93907	7.7
114.95680	3.6
115.05481	2.4
117.07055	3.0
119.08601	21.2
121.02854	3.4
121.10104	4.4
123.04441	10.5
124.95496	3.9
128.06197	4.8
129.06976	8.1
131.08568	11.0
132.08908	8.2
133.10143	16.1
135.95313	13.3
137.05910	2.5
137.94987	10.9
141.06979	2.9
142.07669	3.7
142.96503	9.2
143.08542	6.0
145.10197	11.7
146.09251	27.3
146.10469	14.7
147.08133	2.6
147.11702	13.5
149.02367	19.8
157.10155	7.5
159.11673	4.9
160.12030	12.5
160.97643	11.9
161.06012	4.1
161.09711	2.7
161.13292	9.4
170.10886	3.7
174.13725	3.3
175.07593	8.0
175.14821	2.7
175.48285	2.3
178.98610	10.3
181.95853	13.9
183.95494	5.3
185.13264	12.4
195.94917	2.3
201.92184	100.0
202.08879	3.6
202.13124	6.5
202.16721	24.1
203.07179	3.3
203.10706	5.7
203.14330	8.6
203.17970	23.6
219.10178	9.2
220.03131	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	202.1075
Annotation	L-Dihydroanticapsin
Peak:m/z	Relative Intensity
55.01877	7.5
55.05504	5.9
56.01372	1.5
56.05024	4.8
56.96566	12.3
57.03426	2.3
57.07080	29.6
57.93551	4.0
59.05015	2.0
65.24743	1.3
67.05510	12.5
67.91109	1.5
68.05032	2.0
69.03403	2.8
69.07076	9.5
70.02955	20.1
70.06599	3.6
71.48325	2.7
72.04520	25.4
72.08143	5.9
73.02925	18.0
74.02432	3.2
74.09726	14.1
79.05492	5.5
81.07053	3.0
82.02929	5.6
83.05002	2.1
83.08616	1.6
84.04505	22.6
84.08135	7.1
85.02886	4.5
85.06548	8.3
86.09705	6.3
87.04471	3.2
87.08085	2.9
90.05561	4.3
91.03973	1.7
91.05473	5.8
93.07013	1.7
94.06522	1.6
95.04978	16.7
95.08548	1.8
96.04472	2.9
96.08130	8.2
97.02873	3.4
97.99224	1.9
98.01844	2.5
98.02427	37.1
98.06065	6.2
98.97598	8.1
99.08104	2.1
100.03985	55.3
102.05479	2.2
103.05454	2.4
103.07567	3.5
107.04951	3.3
107.08583	4.2
110.09658	4.4
112.03998	1.5
112.07592	3.0
113.06004	9.7
114.05543	9.0
114.95687	7.5
116.03461	24.9
116.98636	2.5
118.96726	3.4
119.01864	3.2
119.04974	1.6
121.06486	2.0
124.07599	39.4
128.03448	30.7
130.05013	7.5
130.08708	2.9
131.07021	1.5
132.10214	3.0
132.96700	5.3
136.05190	4.0
137.05963	4.3
138.09122	5.1
140.10709	2.8
142.05019	3.8
142.07578	3.0
142.08647	38.4
149.05989	4.4
151.11159	1.8
156.10220	28.8
157.13326	2.1
158.11765	10.6
158.99658	1.7
160.09683	9.5
166.08627	3.7
167.07008	1.6
168.07378	1.8
174.11333	2.6
177.00755	2.0
177.05473	5.9
178.05818	3.1
178.96010	2.6
178.98456	4.7
184.07520	1.5
184.07860	1.8
184.09712	32.7
186.11229	5.5
191.04207	1.7
192.59413	4.5
201.59882	1.7
202.08797	6.3
202.10757	100.0
203.10977	2.0
203.14142	1.7
214.09355	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00319	0.3
53.69944	0.1
57.07079	100.0
58.01023	0.2
58.07415	0.5
59.99115	10.1
65.70779	0.2
68.03057	0.2
69.24545	1.4
84.38420	0.2
86.06071	11.4
94.59119	0.2
102.03751	1.7
102.99695	0.2
116.05321	4.8
122.75539	0.2
143.79459	0.2
145.04309	2.6
145.05341	0.2
179.64600	0.2
201.10609	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	11.0
64.09644	3.7
69.84936	6.1
69.85356	14.4
82.01435	9.3
82.99816	5.4
86.06077	5.7
89.54284	3.6
98.20851	5.8
98.97589	17.7
100.02489	15.4
101.00891	50.9
114.05529	23.9
119.01919	81.2
120.95389	5.5
124.02440	7.3
137.02977	5.1
138.96420	31.5
142.03493	37.8
156.97487	91.9
158.97183	4.2
160.04506	4.9
161.02980	30.3
161.98015	8.5
164.08881	3.4
174.98534	32.7
179.04013	25.8
179.99091	100.0
198.00258	38.4
199.50119	4.4
214.96506	14.8
219.99828	4.0
220.02144	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	201.0911
Annotation	(+)-(3S,4R)-cis-3,4-Dihydroxy-3,4-dihydrofluorene
Peak:m/z	Relative Intensity
53.03939	0.4
55.01882	0.5
61.11368	0.3
67.01865	0.5
69.28296	2.7
71.01357	0.6
73.79062	0.3
77.03926	0.5
79.05486	0.4
91.05479	2.6
95.04931	0.4
98.68638	0.3
101.23114	0.3
102.32751	0.4
103.05485	1.4
105.03387	0.9
105.07031	1.6
107.04972	0.4
115.05456	6.5
116.06248	1.0
117.07021	8.4
121.02010	0.3
123.04424	1.1
127.05444	0.9
128.06218	4.5
129.07014	5.5
130.07774	1.0
131.04958	2.1
131.08577	1.5
133.06500	2.3
135.04468	0.5
139.05469	0.4
140.06168	0.9
141.06950	0.8
143.08542	0.8
144.05685	2.1
145.06488	10.1
145.10132	4.1
152.06210	0.7
153.06990	9.7
153.08221	0.6
154.07793	4.2
155.06042	4.1
155.08560	46.2
156.08963	0.9
157.06511	3.9
158.03638	0.6
158.07240	1.2
159.04402	0.8
159.08070	0.8
159.11667	0.9
160.05199	2.3
165.06999	3.3
168.05704	2.3
173.05984	17.0
173.09575	3.5
181.06389	0.5
183.08061	20.4
184.08521	0.5
185.05984	1.7
186.03214	0.4
186.06769	6.3
196.11258	0.3
199.07523	0.5
201.05495	9.6
201.09109	100.0
201.16315	1.8
202.09424	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	201.0547
Annotation	5-Methylangelicin
Peak:m/z	Relative Intensity
53.03924	0.4
55.01867	0.6
55.05521	0.7
56.96556	0.6
57.03415	0.5
57.07059	0.7
65.22475	0.3
67.05502	1.1
69.03423	0.7
69.07075	3.1
71.48579	0.6
73.48230	0.3
75.54774	0.3
76.06977	0.3
78.04713	1.4
79.05489	1.2
81.07058	1.9
85.02890	1.1
90.77194	0.3
91.04920	0.4
91.05493	6.5
93.07050	0.8
95.04974	1.2
95.08598	0.9
97.02914	0.4
97.06546	4.0
98.97591	0.4
102.04691	9.6
103.05472	1.2
105.03416	1.3
105.07032	1.7
106.04145	0.7
107.04969	0.6
107.08649	0.6
109.06492	0.5
109.10147	0.7
115.05461	21.4
116.06274	0.9
117.06236	0.7
117.07020	9.9
118.96746	1.7
119.04978	0.8
119.08565	1.0
121.06502	0.6
121.10165	0.4
123.04430	1.3
123.11710	0.3
126.70556	0.4
127.05444	0.7
128.06203	1.0
129.07001	1.5
130.04153	16.4
131.04939	0.6
131.08568	1.8
133.06485	1.6
133.99109	0.5
134.03613	0.9
135.04381	0.4
136.05205	1.5
136.95482	0.4
137.05995	3.9
141.01797	0.4
141.06958	1.4
142.07770	0.6
143.04948	4.1
144.05699	1.0
145.06490	26.0
145.10172	2.7
147.04420	0.4
149.05972	0.6
152.84604	0.4
153.06956	1.0
154.07819	0.4
154.96603	0.4
155.04941	0.6
155.06082	2.1
155.08563	5.7
157.10040	0.4
158.03642	37.4
158.07210	1.0
159.08034	0.9
159.11681	2.2
160.07552	0.9
161.05965	0.5
162.03143	8.4
163.03908	0.4
165.06978	0.6
168.05682	0.6
169.06483	1.1
171.04376	1.1
171.05597	1.0
172.05144	0.4
173.05989	55.2
173.09499	1.0
174.06343	0.4
177.05515	1.1
177.98112	1.5
183.08031	3.0
183.59023	0.5
184.08098	2.6
184.58374	0.5
186.03125	13.9
186.06749	1.7
191.07031	1.9
192.59409	2.9
193.09494	0.5
201.05475	100.0
201.09106	15.5
201.12773	1.6
201.16319	2.5
202.05823	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13016	0.2
55.05516	0.4
56.96575	1.2
60.08167	23.3
60.62730	0.3
61.02915	0.2
67.05509	0.4
68.04681	0.4
68.05032	6.3
69.03426	0.4
69.96206	1.0
73.02913	0.4
82.01428	0.6
85.02925	0.3
95.06097	100.0
96.06402	0.4
97.02859	0.3
98.97593	0.6
99.89934	0.2
100.02495	0.5
101.00889	0.9
110.97583	1.0
111.05591	1.1
114.59402	0.3
115.02451	0.3
119.01941	1.0
128.98648	0.7
131.01878	0.4
133.03529	0.4
139.03932	0.3
139.05034	0.4
143.01938	0.4
154.13397	25.2
156.98061	0.6
170.03024	0.4
174.99258	2.0
175.00621	0.4
175.04405	0.2
175.98567	0.3
180.11377	0.3
193.00244	0.8
198.02563	0.3
198.12392	6.0
198.18553	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25806	0.4
55.01868	2.0
55.09956	0.5
56.96564	9.4
57.03439	1.8
61.02927	1.4
69.03435	2.0
70.37414	1.7
70.99854	1.4
71.04990	0.6
71.95300	0.6
72.08171	0.6
72.99610	0.6
73.02913	3.2
81.03426	1.5
82.99839	8.3
83.04994	0.8
83.78687	0.5
84.08125	0.7
84.96030	1.8
85.02901	3.9
89.00836	0.8
91.05472	0.6
96.26844	0.5
97.02899	1.5
98.01311	1.3
98.03310	0.4
98.97586	14.5
99.04474	1.1
99.97932	1.7
100.95678	0.5
101.00884	59.2
102.00983	1.0
103.00623	2.6
104.01299	0.6
107.01823	1.0
107.08630	0.6
110.01279	0.8
110.03178	0.7
110.97550	2.9
111.02052	1.8
112.99149	1.0
113.00867	13.6
114.00949	0.9
115.00655	0.6
115.02444	1.5
115.03943	0.6
116.01277	0.6
116.98635	3.4
117.98918	0.7
118.96756	4.1
119.01920	100.0
120.01968	1.8
120.02644	1.4
120.43633	0.5
121.01682	3.2
121.06544	0.6
124.99149	0.7
125.01768	0.7
127.02416	0.6
127.03960	0.7
128.98627	1.6
129.00359	0.5
129.03075	2.7
131.01907	41.0
132.01935	3.1
133.01622	0.7
133.03458	6.0
133.99121	1.1
134.99718	0.7
135.03236	1.3
136.11774	0.5
136.95390	0.5
137.02962	17.5
140.98572	2.9
142.03523	2.1
143.00235	1.0
143.01869	0.9
145.03477	2.8
146.99689	0.7
147.01384	0.5
147.03104	0.8
149.02979	9.4
149.06030	1.1
151.04529	1.3
153.03113	0.6
154.03654	0.6
154.96591	0.6
155.01878	4.6
155.03746	1.2
156.03630	1.0
158.97289	1.3
158.99673	5.8
159.01208	0.9
161.01314	1.1
161.02963	2.3
163.04564	1.0
170.99586	0.6
171.04080	1.2
173.02960	24.8
174.03020	0.6
175.02931	0.9
175.04585	1.6
176.98375	0.9
177.00717	3.8
177.02431	2.7
177.05457	0.6
177.98068	2.6
178.02611	1.6
182.99850	0.8
183.01392	2.7
183.02948	0.9
189.00629	0.7
191.02264	0.4
191.04007	10.8
192.04678	1.1
193.09958	0.5
201.02451	61.4
201.03944	2.3
202.02637	2.0
219.03514	49.9
220.03610	0.8
221.03586	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89523	0.3
58.06602	0.3
60.08169	24.1
68.04685	0.5
68.05034	6.1
68.25268	0.3
69.79880	1.0
69.80296	0.6
85.02883	0.3
86.65681	0.3
95.06097	100.0
96.06439	0.6
98.21477	0.3
101.95930	0.3
111.05513	0.6
118.39180	0.3
124.01566	0.3
138.20790	0.3
139.05025	0.5
152.07121	0.6
154.13399	25.6
155.13618	0.3
160.30830	0.3
165.18008	0.3
198.12399	6.3
198.18529	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1173
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03958	0.8
55.01871	1.4
55.05496	3.8
57.07071	1.9
59.04990	2.1
65.03934	1.2
67.05503	6.2
69.03431	1.0
69.07047	2.4
70.95868	7.5
71.04992	1.6
71.48887	1.2
72.93797	4.0
77.03911	1.1
79.05505	7.2
81.03435	0.9
81.07065	9.4
90.94843	1.0
91.05488	18.3
91.16256	0.8
93.07047	22.7
95.04971	8.6
95.08606	4.2
97.06516	2.0
105.07034	35.1
107.04924	0.8
107.08595	71.0
109.06516	4.1
109.10149	7.5
111.98483	9.8
117.06999	1.3
119.01926	1.9
119.04972	2.0
119.06078	1.5
119.08584	10.1
121.06521	6.7
121.10158	1.5
123.04427	3.4
123.11739	4.5
129.99507	2.8
131.08585	2.9
132.95853	19.6
133.10136	69.6
135.08075	1.9
135.11694	57.5
137.05991	4.0
137.07877	1.1
137.09639	6.1
138.29619	1.0
141.07011	2.0
143.01880	1.1
143.08594	1.7
146.07292	2.0
147.09119	0.8
150.96887	13.3
151.11159	5.7
155.08542	3.1
155.97426	12.9
161.09615	33.4
167.08530	1.8
169.06551	1.0
169.10246	2.4
173.98497	11.2
176.15054	0.9
179.10677	100.0
182.10912	2.1
189.51320	0.9
195.11636	1.1
197.05881	2.2
197.11731	73.9
197.13292	7.7
198.18536	5.0
212.19623	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1174
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
51.99275	1.0
53.03938	1.1
55.05513	5.1
59.04984	3.7
65.03934	1.3
67.05507	6.9
69.03430	1.8
69.07057	2.0
70.95868	15.2
71.28432	1.4
72.93787	9.6
75.30566	0.9
75.76941	1.0
79.05497	7.4
80.65002	1.0
81.07057	7.2
85.06547	1.4
88.96884	1.7
91.05476	21.2
93.07044	27.4
95.04960	8.8
95.08595	4.0
97.06519	2.0
105.03378	4.8
105.07039	34.9
106.07397	0.9
107.04945	1.3
107.08598	68.9
109.06506	5.3
109.10153	6.7
111.98482	15.0
113.96398	1.1
117.06970	2.2
119.04915	2.1
119.06087	1.9
119.08590	8.0
121.06499	6.8
123.04433	4.4
123.08032	1.9
123.11704	4.2
125.05953	2.3
128.06223	1.3
129.99500	3.6
131.08560	3.6
132.94868	1.9
132.95842	32.1
132.96843	1.7
133.06487	1.5
133.10135	77.0
135.08130	1.2
135.11693	63.2
137.05997	4.2
137.09636	6.9
143.08543	2.1
144.08797	1.0
150.96881	21.2
151.03865	1.6
151.11177	8.0
151.33217	1.1
155.97441	19.3
161.09619	34.3
167.03432	2.3
167.08488	1.2
173.98512	19.2
179.10677	100.0
197.04390	1.2
197.05977	2.0
197.11734	63.4
198.18541	3.6
217.32150	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.8
55.01873	3.6
55.05518	17.7
57.07063	5.9
65.03942	2.2
65.17867	1.8
66.44603	1.5
67.05511	14.5
69.03418	3.5
69.07074	31.1
70.73882	4.8
71.04651	1.4
71.04985	9.0
79.05498	19.0
81.03407	3.9
81.06598	2.4
81.07063	45.4
83.04975	5.6
83.08618	15.0
84.78162	1.4
85.06535	4.9
89.03929	2.9
91.05482	16.7
93.07048	39.9
95.04980	6.6
95.08611	70.2
97.06518	5.8
97.10178	7.5
99.08103	7.8
105.07055	10.2
107.04936	2.7
107.08597	57.0
109.10163	14.5
111.04436	2.9
111.08048	3.1
113.09652	6.7
117.03388	6.4
117.05777	3.0
117.07016	5.9
119.08581	3.8
121.06508	2.7
121.10155	70.2
123.08086	2.7
123.11707	5.7
125.09628	7.0
130.96321	3.2
131.08580	12.4
133.06471	1.9
133.10107	4.3
135.08076	7.6
135.11696	30.2
137.09593	1.5
137.13260	18.7
138.06676	1.9
139.11198	2.0
140.95503	1.7
145.02838	10.1
148.97310	1.8
149.05942	3.1
149.09636	7.7
149.13234	9.0
150.01201	1.8
152.06200	2.8
153.02104	6.0
153.05475	3.2
159.08073	3.7
159.11670	2.5
163.03880	1.7
165.07013	5.2
166.07678	1.7
167.08586	18.1
177.05463	14.1
177.09164	5.5
177.12817	4.3
177.16403	100.0
180.09378	2.3
195.03203	16.6
195.08116	5.6
195.10132	3.1
195.11699	5.9
195.13771	5.8
195.17419	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1745
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.03942	2.2
55.01879	1.4
55.05509	14.6
56.96551	1.5
57.03428	0.9
57.07074	5.8
60.33178	0.8
67.05511	10.5
68.99792	5.3
69.03422	2.1
69.07073	32.5
70.74836	2.7
71.04995	7.6
77.80589	0.8
79.05492	14.7
81.03415	1.9
81.07059	46.2
83.04978	3.2
83.08626	16.0
85.06543	3.6
85.10172	2.3
89.03896	2.6
91.05472	8.3
93.07047	28.4
95.04980	1.5
95.08611	65.7
95.11662	0.9
97.06536	4.3
97.10171	4.9
99.08092	9.9
101.51878	1.0
105.07024	4.9
107.04951	1.5
107.08599	52.0
109.06479	1.7
109.10165	15.0
111.01623	0.8
111.04466	1.7
111.08073	3.6
111.11720	1.3
111.16555	0.9
113.09639	7.4
117.03378	6.1
117.07031	1.5
119.08564	2.2
121.06499	3.2
121.10148	66.0
123.08052	1.2
123.11726	2.4
124.38863	0.8
125.05980	1.4
125.09637	10.0
130.96286	1.8
131.08543	2.9
133.10138	3.2
134.03673	1.9
135.07997	2.1
135.10707	1.4
135.11699	20.6
137.09688	1.4
137.13261	17.7
139.11189	3.5
145.02834	11.4
148.97389	2.1
149.05995	3.1
149.09642	1.8
149.13275	8.5
151.85481	0.9
153.05432	1.7
153.09099	12.3
153.97871	1.6
159.11655	3.0
163.03893	1.6
163.07562	1.0
165.07024	2.0
167.08609	2.3
171.98975	1.0
177.05489	12.7
177.09155	0.9
177.12927	5.9
177.16391	100.0
180.09293	2.1
195.02975	1.9
195.06554	1.2
195.08186	2.6
195.10158	3.7
195.11987	4.3
195.13736	5.6
195.15735	1.1
195.17456	8.3
207.40567	1.1
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
53.40739	2.2
55.01865	10.3
55.05513	31.5
57.07068	9.1
67.05505	14.7
69.03432	24.6
69.07074	63.9
69.09889	2.3
69.17400	12.6
69.17825	8.6
71.04984	7.3
71.68324	2.2
79.05483	12.8
81.06602	2.9
81.07060	51.9
82.58169	2.1
83.04997	5.6
83.08624	20.5
83.92133	2.2
85.06530	11.0
91.05458	7.7
93.07039	34.5
94.90608	2.8
95.04981	2.7
95.08616	70.5
97.06528	8.3
97.10175	15.3
99.08100	95.9
105.07026	7.0
107.07878	3.8
107.08598	55.0
109.06555	2.9
109.10166	19.3
111.08081	26.4
111.11716	10.0
113.09640	6.6
114.51295	2.2
117.03408	5.5
119.08619	3.8
121.06570	2.9
121.10149	82.8
123.11718	10.4
125.09640	62.2
131.08554	3.2
133.10135	2.7
135.11711	27.7
137.13268	31.4
139.11192	7.7
145.02856	10.6
149.05972	2.4
149.09607	2.6
149.13235	5.6
151.14825	2.4
159.11658	4.0
165.06979	2.4
167.08519	2.9
175.76674	2.3
177.05479	9.1
177.16403	100.0
191.56328	2.2
195.08168	5.4
195.10114	2.9
195.13788	4.5
195.17468	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	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
51.69429	1.1
52.26212	1.0
53.03938	3.5
53.67443	1.2
53.91593	0.9
55.01876	17.4
55.05514	23.2
57.07065	1.8
59.04992	3.3
65.03944	2.4
67.05510	15.7
68.96338	1.3
68.99796	5.1
69.03423	2.2
69.07070	10.6
71.04997	8.0
71.29068	2.2
76.23380	1.0
79.05499	24.6
81.03387	2.2
81.07059	91.4
82.07349	1.5
83.04987	6.2
83.08631	3.4
85.06539	3.5
85.10178	1.8
87.04472	2.2
89.03899	5.0
91.05483	15.4
93.03419	1.0
93.07047	57.4
95.04974	4.0
95.08611	34.2
95.09067	0.6
97.06535	54.6
97.10155	1.5
99.04455	1.3
99.08125	2.4
101.06026	5.1
105.07036	8.4
107.04964	2.8
107.08595	49.5
109.06506	3.1
109.10149	5.0
110.06002	1.4
111.08083	4.2
115.05458	1.4
117.03376	10.7
117.07036	4.6
119.08577	6.2
121.06533	5.8
121.10145	12.6
123.08072	1.2
123.11717	1.3
125.05949	1.5
125.09619	3.1
129.06963	1.5
130.96275	2.8
131.08566	8.1
133.10132	16.4
134.03610	1.4
135.04451	1.8
135.08096	6.0
135.11697	100.0
139.07550	2.2
145.02858	16.5
148.97336	2.2
149.05983	4.3
149.09662	5.0
149.13246	13.8
153.05524	1.9
153.09158	8.5
153.97903	1.2
159.11708	15.3
161.31636	1.0
163.03842	2.0
165.07022	2.5
166.89430	1.0
167.07120	1.0
167.08598	2.8
171.98953	1.8
177.05470	14.4
177.09122	1.4
177.12747	22.3
177.16368	3.3
180.09415	2.4
195.01105	2.2
195.02876	1.9
195.08359	1.9
195.10141	2.4
195.11868	1.7
195.13831	14.1
195.17363	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03938	2.8
55.01863	4.9
55.05513	12.7
56.96550	2.4
57.03439	0.9
57.07069	4.0
59.04999	2.1
62.15470	1.0
65.03928	1.6
67.05508	13.0
68.96323	1.0
68.99789	16.4
69.03429	1.8
69.07073	10.4
69.14098	9.1
71.05001	7.4
77.03915	1.1
79.05496	25.0
81.03410	3.7
81.07060	63.2
83.04980	6.3
83.08606	1.3
85.06539	3.4
85.10172	3.6
87.04466	1.2
89.03912	3.6
91.05482	16.8
93.03413	1.5
93.07045	63.3
95.04958	5.2
95.08611	28.5
97.06527	10.0
99.04449	2.9
101.06008	4.3
103.05453	1.6
105.07037	10.3
107.04953	1.8
107.08595	56.6
109.06532	3.5
109.10164	2.7
110.06033	2.9
111.04439	1.9
111.08087	3.3
117.03375	5.9
117.07031	3.4
119.08590	6.4
121.06522	7.6
121.10148	13.8
122.06954	0.8
123.08084	1.1
125.05985	1.4
125.09638	8.9
129.07018	1.3
130.96336	2.2
131.08594	5.5
133.10129	15.2
134.03661	1.1
135.04454	1.2
135.08099	8.3
135.11694	100.0
136.12044	1.7
139.07547	3.9
145.02867	9.7
147.11725	1.4
148.97321	2.3
149.05969	4.1
149.09616	3.0
149.13272	13.1
152.06172	1.2
153.05482	1.2
153.09103	29.5
153.97891	1.2
159.11705	13.4
160.61111	0.9
163.03883	3.3
165.06979	2.3
167.08560	3.5
177.05476	11.7
177.09169	1.4
177.12749	24.2
180.09303	2.5
180.87201	0.9
191.02408	0.9
195.02892	2.2
195.06523	1.4
195.08170	2.8
195.10162	4.3
195.11661	4.3
195.13812	14.8
195.15582	1.4
195.17473	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1382
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03942	2.2
53.40848	0.6
54.23859	0.6
55.01868	1.9
55.05271	1.0
55.05519	14.2
56.73528	0.6
57.07068	2.2
59.04996	2.7
62.08225	0.7
65.03949	1.1
67.05513	7.1
69.07078	7.4
69.87244	3.0
71.04998	1.9
72.94440	0.6
77.03892	0.9
79.05071	1.2
79.05502	14.7
81.07063	64.0
83.04990	3.0
83.08611	1.1
85.06536	1.0
89.03925	3.4
91.05485	9.0
93.07050	43.1
95.04979	0.6
95.08616	24.8
97.06537	3.5
99.04469	1.4
101.06018	6.0
105.07051	4.1
107.04960	1.0
107.08609	42.6
109.06554	1.0
109.10165	1.8
111.08107	0.9
117.03387	6.9
117.07005	1.7
119.08595	4.6
120.09369	0.6
121.06537	3.2
121.10152	8.6
123.08074	0.8
123.11736	1.5
131.08585	2.4
133.10144	13.9
134.03615	0.8
135.08128	5.1
135.11705	100.0
136.12053	1.5
137.09601	0.7
139.07562	2.7
145.02861	10.8
149.05984	3.4
149.09634	0.7
149.13271	11.0
153.09088	1.0
159.11703	10.3
159.12997	0.4
163.03946	0.6
177.05476	12.1
177.12758	22.3
177.16394	1.7
180.09225	0.8
195.13838	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0653
Annotation	4-Hydroxy-3-methoxycinnamic acid
Peak:m/z	Relative Intensity
53.03949	0.8
54.58175	0.5
55.05507	0.4
57.37597	0.5
60.07008	0.5
65.03932	1.3
66.15858	0.4
66.87253	0.4
69.07079	0.5
70.54354	1.5
76.07629	0.5
78.04720	1.0
79.05500	1.0
81.07050	0.7
89.03922	25.7
91.05484	3.3
93.03406	2.2
93.07053	1.2
94.42482	0.4
94.57896	0.4
95.04942	0.6
95.08610	0.5
96.73448	0.4
98.97620	0.5
103.05476	1.4
105.03448	0.4
105.38449	0.4
106.04170	2.1
107.04956	0.9
107.08617	0.6
111.04426	1.8
117.03384	52.3
119.04933	0.7
121.06497	1.8
125.06024	2.6
130.96315	1.2
134.03639	8.3
135.04434	4.6
135.11769	0.6
136.33188	0.4
145.02852	88.3
147.04546	0.4
148.97398	0.5
149.05989	22.3
153.05469	5.7
162.03146	2.0
163.03912	7.5
167.08563	0.5
177.05478	100.0
186.05534	0.9
195.06505	1.0
195.08147	0.9
195.10118	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
51.36469	1.2
53.03932	3.9
55.01855	4.2
55.05515	12.9
57.03431	2.8
57.07067	1.4
65.03922	2.0
67.05511	15.9
69.03414	3.1
69.07075	10.3
69.86848	6.8
71.04993	8.6
79.05499	22.2
81.03424	22.5
81.07057	25.5
83.04983	16.9
83.08601	5.2
85.06525	3.5
86.65759	1.2
87.04478	2.2
91.05486	43.2
93.06492	2.0
93.07045	29.6
95.04975	16.5
95.08606	15.4
95.82266	1.2
97.06523	3.6
103.05444	1.5
105.07038	78.2
107.04953	4.0
107.07886	1.9
107.08595	30.9
109.06525	14.7
109.09474	2.2
109.10162	29.1
111.04448	1.5
111.08078	3.2
113.37551	1.2
115.05521	1.3
117.07000	4.3
119.04892	1.4
119.08589	52.2
121.06474	2.1
121.10140	9.1
123.08063	11.0
123.11740	6.2
125.53051	1.3
128.96455	1.6
129.07045	7.5
131.08604	16.9
131.49825	1.2
133.02876	2.1
133.06470	5.6
133.10138	100.0
135.08070	2.0
135.11700	40.5
137.05988	3.3
137.09662	7.7
138.10416	3.0
142.07744	2.5
145.10080	4.0
146.97427	2.6
147.04355	1.3
147.07996	5.4
147.11693	67.4
149.02304	1.4
149.09645	19.7
149.13354	2.7
151.11195	2.5
157.10104	6.7
161.05948	1.6
165.12737	7.8
175.07632	1.3
175.11244	17.6
175.14832	37.9
178.02580	1.5
178.07811	2.2
189.61015	1.2
193.04947	3.9
193.06577	1.4
193.08522	2.5
193.10410	2.2
193.12238	26.8
193.15904	35.4
194.07666	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.1178
Annotation	Heliamine
Peak:m/z	Relative Intensity
56.96564	2.3
62.73420	0.5
69.96558	2.3
72.76705	0.5
91.05489	14.8
98.21442	0.6
98.97587	1.0
102.51249	0.5
103.05479	1.2
105.07024	0.6
107.04990	0.7
107.10065	0.5
109.02869	0.5
110.06142	0.5
115.05455	1.9
116.06264	4.6
117.06989	0.9
119.04913	0.6
121.06506	0.8
123.04434	1.9
129.06992	4.0
131.04904	3.3
131.08572	66.1
135.03189	0.5
135.04373	0.9
137.05971	4.4
141.07001	4.5
143.06044	0.7
144.05708	7.7
147.41685	0.5
148.04150	0.6
148.05118	2.4
148.07610	1.5
149.05989	3.5
153.05482	1.4
159.08060	76.1
162.06718	1.6
165.09175	0.9
169.07628	3.5
170.99590	0.7
177.09114	100.0
178.09407	0.7
188.92499	0.8
189.00665	0.7
194.08133	3.6
194.11772	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	193.1587
Annotation	(-)-gamma-ionone
Peak:m/z	Relative Intensity
52.39032	1.2
55.05511	16.0
57.07058	5.2
59.05002	2.0
62.39284	1.5
65.03916	2.0
67.05504	17.3
69.03422	6.3
69.07065	17.2
69.45102	1.4
69.64183	2.7
69.64585	7.4
71.04993	2.9
77.03899	1.5
79.05487	7.8
81.07061	18.0
83.04997	14.0
83.08632	11.1
85.06552	4.7
88.93705	1.4
91.05484	18.5
92.70085	1.6
93.07037	18.5
95.04967	5.0
95.08610	40.7
97.06522	3.2
103.05448	2.4
105.07041	24.9
106.63473	1.4
107.08595	27.1
109.06516	10.2
109.10160	47.1
111.08043	4.3
117.07000	3.0
119.08588	74.2
121.10139	17.3
123.08063	17.3
123.11702	8.4
129.06955	1.5
131.08545	3.2
133.10132	88.7
135.11693	54.5
137.09628	18.9
145.10094	5.7
147.11676	21.2
149.02328	2.1
149.13225	10.7
151.11180	4.9
151.14822	9.3
151.67154	1.4
159.11719	2.3
160.12492	6.1
173.13339	1.8
175.11223	3.1
175.14830	100.0
176.15143	1.8
193.04961	3.5
193.12267	4.2
193.15889	54.2
203.82101	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	beta-Ionone
Peak:m/z	Relative Intensity
51.24503	1.1
53.03947	2.3
55.01853	1.2
55.05511	10.4
57.03439	1.0
57.07076	5.3
59.04997	2.2
65.03934	3.2
65.39557	1.0
67.05511	15.8
69.03442	2.4
69.07072	19.2
71.04980	3.0
71.48689	1.6
74.01613	1.1
78.34869	0.9
79.05506	9.3
81.03421	7.7
81.07055	16.3
83.04983	3.5
83.08639	5.5
85.06557	1.7
91.05488	24.6
93.07048	16.9
95.04975	8.2
95.08620	24.1
97.06519	1.7
99.08102	4.5
103.05470	3.0
104.44781	1.1
105.07037	39.6
107.04942	2.8
107.08600	18.3
109.05851	1.3
109.06524	6.4
109.10160	29.1
111.08088	1.6
115.05435	2.0
117.07030	4.2
119.08588	75.8
121.02918	1.2
121.10157	7.8
123.08078	8.5
123.11707	5.6
124.14317	0.9
127.03159	1.4
129.07011	3.9
131.08528	6.5
133.02861	1.5
133.06491	4.3
133.10141	100.0
134.10829	1.7
135.08041	2.0
135.11693	23.0
137.05983	4.0
137.09612	9.5
142.07877	1.3
145.10141	8.0
146.97482	2.6
147.04372	1.1
147.08047	2.9
147.11696	30.8
149.02322	5.3
149.09619	3.2
149.13281	7.2
151.11205	2.9
151.14842	6.6
157.10214	2.2
160.12428	4.1
161.06108	1.6
165.05586	1.5
165.12787	1.3
169.99062	2.3
173.13245	1.4
175.03946	1.8
175.07623	2.5
175.11336	6.1
175.14835	92.3
178.02704	2.0
193.04961	9.6
193.08624	2.2
193.10513	1.6
193.12254	8.7
193.15897	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.159
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
50.26400	1.3
53.03968	1.5
55.01851	1.5
55.05513	17.0
55.46230	1.1
57.07066	4.8
59.05007	7.7
60.67766	1.1
63.43643	1.2
65.03927	2.3
66.85905	1.0
67.05511	37.8
69.03398	1.9
69.07082	15.7
69.69245	6.8
71.04988	3.3
71.08607	1.5
79.05502	16.8
81.03408	4.2
81.07066	22.6
83.04974	4.0
83.08606	5.3
85.06551	29.0
91.05496	18.3
93.07048	29.5
95.04980	9.7
95.08608	22.6
97.06524	3.9
99.04423	1.3
99.08102	100.0
102.93564	1.3
103.05470	2.8
105.07035	25.4
107.04948	1.7
107.08599	30.3
107.09315	2.1
109.06542	8.5
109.10166	63.1
111.08076	3.9
115.05435	2.2
117.06989	2.5
119.04929	3.2
119.08586	19.9
121.06524	1.8
121.10155	8.4
123.08085	9.7
123.11705	7.5
125.09584	1.3
128.96379	1.3
129.07007	2.3
131.04950	1.5
131.08556	3.4
133.02820	2.0
133.06468	7.3
133.10138	38.6
135.11697	30.6
137.06007	5.0
137.09630	23.0
138.10388	2.6
147.04410	1.4
147.08028	1.6
147.11725	8.2
149.02354	8.4
149.09581	2.1
149.13208	1.8
151.11171	11.6
151.14861	2.4
161.05367	9.3
165.16393	2.6
175.07539	3.1
175.11212	5.4
175.14825	11.6
178.02617	3.3
193.04970	10.9
193.08522	4.4
193.12221	7.6
193.15889	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	193.1588
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
52.31597	0.7
53.03952	1.4
55.01863	1.3
55.05516	10.4
57.03435	0.7
57.03897	0.7
57.07075	2.5
59.05009	1.8
65.03944	2.0
67.05505	9.9
68.99918	0.7
69.07072	28.1
69.31071	6.1
71.04996	19.8
72.40018	0.7
79.05506	6.9
80.67355	0.7
81.03424	1.1
81.07059	26.1
83.05004	2.0
83.08640	3.4
85.06547	13.1
90.61507	0.9
91.05489	7.5
93.07047	26.3
95.04971	37.5
95.08610	22.4
97.06544	3.8
97.10178	9.1
99.08114	4.6
105.07037	14.7
107.08601	36.4
109.06522	100.0
109.10163	14.2
111.08099	5.9
111.11723	5.5
113.09698	0.8
117.07065	1.1
119.08584	30.5
121.10157	10.3
123.08078	9.2
123.11713	24.2
123.98337	0.6
130.82149	0.6
131.08556	1.4
133.06522	1.8
133.09128	1.5
133.10130	25.7
135.11696	36.4
137.09625	15.2
137.48306	0.6
146.48637	0.7
146.97455	1.8
147.08087	1.0
147.11707	4.4
149.02353	2.5
149.13272	8.6
150.10414	0.9
151.11182	5.8
151.14845	0.7
161.06036	0.9
169.99106	0.9
175.11205	1.8
175.14833	43.7
176.15129	0.9
184.53012	0.7
193.04941	3.1
193.08621	0.9
193.10219	1.9
193.12241	3.8
193.15894	62.0
213.84201	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	(-)-gamma-ionone
Peak:m/z	Relative Intensity
53.03929	2.8
55.01856	2.3
55.05514	41.5
56.86062	1.0
56.96550	1.3
57.07087	6.9
59.04984	4.3
59.99944	1.0
66.82127	1.1
67.05511	26.2
69.03416	2.9
69.07077	13.6
70.04256	1.0
70.04532	4.9
71.04984	7.8
71.08619	1.5
79.05489	10.6
81.03427	1.9
81.07063	22.8
83.04985	79.7
83.08614	4.5
84.94058	1.1
85.06554	11.9
85.10179	1.1
86.84940	0.9
86.89775	1.0
91.05488	14.4
93.06484	1.8
93.07047	23.7
95.04983	7.0
95.08611	34.3
97.06535	4.9
97.10142	1.8
97.90316	1.0
98.20677	1.2
98.97584	3.9
99.04441	1.3
99.08099	1.6
105.07035	22.4
107.04926	1.2
107.08604	31.7
109.06519	8.8
109.10162	81.3
110.10421	0.9
111.08085	2.5
111.32874	1.0
115.05486	0.9
117.06989	2.8
119.08587	36.1
121.06496	1.2
121.10159	17.3
123.04471	1.3
123.08073	22.8
123.11706	14.9
125.09629	4.8
131.08553	2.4
133.02895	1.2
133.06493	2.7
133.10141	55.5
135.07985	1.1
135.11696	49.8
137.05962	1.4
137.09622	19.3
137.13228	1.2
138.10405	3.5
139.11182	1.7
146.97421	1.9
147.08075	2.1
147.11703	9.8
149.02385	2.6
149.09604	1.8
149.13284	7.3
151.11200	7.2
151.14825	22.0
157.10115	1.1
158.99687	1.8
165.05664	1.2
165.06963	1.2
165.16426	7.2
175.07626	1.5
175.11169	4.3
175.14838	42.3
177.00702	1.1
193.04991	3.0
193.08565	2.1
193.12225	3.1
193.15892	100.0
194.16287	1.7
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
53.03941	3.4
55.01870	1.5
55.05510	8.9
57.03430	1.5
59.04998	1.1
65.03940	2.2
67.05500	10.6
68.14047	0.7
69.03440	1.1
69.07069	4.4
69.17538	6.7
69.17950	1.9
71.04995	7.8
77.03920	1.5
79.05042	0.5
79.05491	14.6
81.03413	2.7
81.07053	11.5
83.04994	2.1
83.08636	1.3
85.06534	1.0
87.04459	2.7
91.05482	61.3
93.07044	33.7
95.04967	5.1
95.08601	7.6
97.02927	0.9
97.06540	2.2
99.04444	2.3
103.05480	2.3
103.95158	0.8
104.06249	1.3
105.04531	1.2
105.07031	78.1
106.07370	1.1
107.04952	1.1
107.08595	9.5
109.06525	3.5
109.10157	14.5
111.08083	1.5
115.05473	1.4
116.06239	0.9
117.07027	4.5
118.07835	1.0
119.08586	57.0
120.08949	0.8
121.10127	2.3
121.90614	0.8
123.08060	1.3
123.11686	2.2
125.26825	0.8
128.06233	2.6
128.96457	1.2
129.06062	0.8
129.07011	16.2
131.08565	17.6
133.02820	1.7
133.06499	3.7
133.10132	100.0
134.10478	1.3
135.08069	1.4
135.11688	3.9
137.05959	1.4
137.09619	1.9
142.07806	3.0
145.10117	2.0
146.97432	2.2
147.08051	2.2
147.10515	1.6
147.11685	30.6
149.02362	1.6
149.09633	2.3
149.13318	3.8
151.07471	1.2
151.11151	1.2
157.10135	6.9
175.11183	23.1
175.14778	4.0
178.02679	0.9
178.07742	0.8
193.04973	4.2
193.08586	1.4
193.12244	16.8
193.15857	12.2
193.17459	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1225
Annotation	Ibufenac
Peak:m/z	Relative Intensity
51.02374	0.7
53.03951	3.9
55.01868	1.7
55.05515	9.9
56.46807	0.6
57.03440	1.6
57.85728	0.6
59.05011	1.5
65.03928	1.1
67.05506	7.8
69.07059	2.6
69.40929	4.5
71.04997	6.0
79.05502	13.8
81.03428	3.0
81.07069	6.5
83.04983	1.8
85.02901	2.0
85.06558	1.1
87.04477	1.7
91.05486	61.3
93.07048	32.3
95.04967	6.2
95.08616	2.6
97.06545	1.0
99.04498	0.9
103.05482	1.5
105.04530	1.4
105.07037	81.0
107.08604	8.2
109.06559	3.3
109.10178	1.5
115.05453	1.7
117.07035	4.9
118.07814	1.0
119.04923	0.7
119.08588	54.2
121.10159	0.8
123.08081	1.3
123.11629	0.7
128.06192	1.3
129.07008	18.5
131.08569	17.9
131.09540	1.1
133.06499	3.0
133.10136	100.0
134.10510	0.9
135.08104	0.9
135.11684	2.4
137.05992	1.3
142.07791	3.5
145.10103	2.3
147.08080	2.4
147.11694	29.1
149.09586	1.0
151.07573	0.8
151.11185	1.4
157.10130	8.5
165.12830	0.7
169.99023	0.7
175.11197	22.3
175.14824	2.7
180.31522	0.6
193.04951	2.5
193.12242	11.9
193.15869	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	193.1225
Annotation	Ibufenac
Peak:m/z	Relative Intensity
53.03946	2.3
55.01869	1.6
55.05508	8.2
56.96568	0.6
57.03461	0.7
57.07063	1.4
59.04986	0.9
65.03934	2.4
67.05515	5.9
69.03421	1.3
69.07074	7.7
69.14385	7.7
71.05006	4.2
79.05501	12.6
80.43324	0.6
81.03423	6.1
81.07053	9.7
83.04997	3.4
85.02926	1.1
85.06538	1.2
87.04443	1.0
91.05486	47.6
93.07051	17.1
95.04971	7.4
95.08617	8.2
97.02863	0.9
97.06530	2.9
99.04451	2.8
99.08080	2.3
101.06052	0.6
103.05465	2.4
105.04559	1.1
105.07038	65.5
107.04943	2.8
107.08595	11.7
109.06538	6.2
109.10163	5.0
111.08089	1.0
115.05437	1.1
116.06259	0.8
117.07021	2.5
119.04946	1.3
119.08589	39.7
121.02857	0.8
121.06514	0.8
121.10167	4.3
123.08077	3.9
123.11723	1.6
128.06229	0.8
129.07007	8.6
131.04967	1.0
131.08571	11.7
133.02844	0.9
133.06526	3.6
133.10138	100.0
134.10524	0.9
135.08011	1.4
135.11691	9.5
137.06015	4.9
137.09625	3.3
142.07771	1.5
145.10106	1.2
146.97475	1.9
147.04356	1.4
147.08070	2.4
147.11693	26.8
149.02344	5.9
149.03447	0.9
149.09630	5.1
149.13295	1.9
151.07516	2.0
151.11217	5.0
157.10156	4.2
160.41437	0.6
161.05675	0.6
165.09149	1.2
165.12802	1.2
169.09769	0.7
175.03859	1.1
175.07642	1.4
175.11205	13.7
175.14827	10.2
178.02644	1.8
193.05029	7.5
193.08662	2.6
193.12218	15.2
193.15901	14.2
193.17659	0.8
213.66048	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1225
Annotation	Ibufenac
Peak:m/z	Relative Intensity
51.02385	0.9
53.03961	2.9
55.01872	2.0
55.05515	8.1
57.03443	1.0
59.05008	1.0
65.03941	0.9
67.05508	8.1
69.03419	0.6
69.07079	2.8
69.41488	1.8
69.41894	2.0
71.04723	0.5
71.05009	5.7
77.03932	1.3
79.05502	17.0
79.05972	0.9
81.03415	1.7
81.07067	7.4
83.04987	2.7
85.02907	1.6
85.06539	0.6
87.04485	1.5
91.05489	55.7
93.07050	26.5
93.07646	1.1
95.04990	3.3
95.08608	1.6
97.06555	1.2
99.04469	2.0
101.06030	0.6
103.05474	1.0
105.04549	1.4
105.07039	75.2
107.04937	0.8
107.08585	5.7
109.06541	3.3
109.10165	1.2
115.05466	2.4
116.06223	1.2
117.07010	3.6
119.04982	1.2
119.08591	45.9
121.06513	1.0
121.10168	1.6
128.06198	1.0
129.07019	15.5
131.08575	23.1
133.02888	0.8
133.06570	3.2
133.10143	100.0
134.10446	1.3
135.11668	1.1
137.05963	1.5
142.07816	3.8
145.10121	1.5
147.07021	0.8
147.08038	4.0
147.11697	28.0
148.12042	0.6
149.02411	0.9
149.09633	11.1
149.13300	0.7
151.11249	1.4
157.10139	9.2
161.05408	1.0
170.13216	0.6
175.11197	24.7
192.06609	0.6
193.04970	2.3
193.07333	7.3
193.12254	19.2
193.15907	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1225
Annotation	Ibufenac
Peak:m/z	Relative Intensity
51.02378	1.9
52.20640	1.0
53.00303	1.2
53.03948	10.6
55.01869	5.9
55.05512	8.0
56.76650	1.0
57.03444	1.2
59.04989	1.7
65.03936	4.8
67.05507	31.4
69.03424	1.7
69.07070	8.6
70.12465	5.0
71.01336	1.7
71.04992	11.0
71.14310	1.2
77.03919	1.1
79.05493	55.4
81.03414	24.7
81.06594	2.0
81.07057	27.0
82.49128	1.1
83.04997	6.1
83.08614	3.5
85.06554	4.2
91.05482	100.0
93.03370	1.5
93.07045	83.2
95.04976	22.4
95.08622	11.9
96.13734	1.1
97.02906	1.4
97.06525	3.9
98.21472	1.2
99.04417	1.2
103.05446	1.3
105.04524	5.1
105.07030	50.0
107.04938	7.8
107.08593	7.3
109.02870	2.1
109.06526	7.5
109.10138	5.3
110.97579	1.2
111.00764	1.5
111.08074	3.0
113.06005	1.4
117.07036	2.4
119.04922	4.2
119.08585	26.9
121.02856	3.8
121.06502	1.7
121.10167	4.4
123.04419	7.8
123.08060	2.9
123.11699	2.0
125.02396	1.6
127.07525	2.0
128.06230	1.4
129.07024	17.0
131.08585	21.6
133.02809	1.2
133.06488	2.1
133.10132	98.5
134.10420	1.1
134.73473	1.3
135.04434	3.5
135.08084	1.4
135.11687	5.1
136.05200	3.2
137.06029	5.9
137.09612	3.0
142.07758	4.1
146.97450	3.8
147.04416	5.0
147.08087	5.8
147.11690	24.6
149.02350	4.9
149.09608	4.9
149.13271	1.6
151.03854	1.3
151.11200	2.5
157.10130	18.5
158.50169	1.2
164.04669	6.2
165.05453	3.9
171.61931	1.2
175.03923	2.9
175.11189	18.7
175.14784	6.8
178.07776	18.7
189.49384	1.1
193.04956	12.9
193.08546	1.8
193.10146	32.2
193.12239	20.9
193.15903	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	193.1224
Annotation	Ibufenac
Peak:m/z	Relative Intensity
50.04725	0.9
53.03939	3.9
55.01855	3.2
55.05512	10.0
57.03436	1.2
59.04988	1.0
65.03933	2.2
67.05508	10.4
68.99805	0.8
69.03432	1.6
69.07072	7.7
71.03133	1.6
71.04980	4.6
75.02330	0.8
79.05494	17.8
80.69354	0.8
81.03410	3.8
81.07060	11.7
83.04974	3.2
83.08618	1.4
85.02914	1.3
85.06601	0.9
87.04488	1.5
91.05483	60.0
93.07050	29.1
93.07633	1.8
95.04964	6.8
95.08604	3.9
97.06557	2.3
99.04443	2.6
100.72131	0.8
103.05470	2.7
104.06236	1.1
105.04513	1.4
105.07034	71.6
107.04931	1.6
107.08588	8.8
108.79928	0.9
109.06493	4.2
109.10172	2.2
115.05453	2.4
117.07014	2.5
119.04947	2.0
119.08582	51.9
121.06506	0.9
121.10155	1.7
123.08072	1.3
123.11744	1.4
126.11670	0.8
129.07013	15.2
131.08575	19.3
133.02858	2.1
133.06490	4.0
133.10136	100.0
134.10568	0.8
135.08080	2.2
135.11690	3.7
137.05975	3.4
137.09605	1.5
142.07782	4.2
145.10147	2.0
146.97383	1.9
147.04385	1.5
147.08014	5.0
147.11691	31.1
149.02400	4.6
149.03441	1.4
149.09621	14.0
149.13290	2.4
150.08891	1.0
151.07541	1.3
151.11209	1.5
157.10121	11.9
165.12711	1.3
175.03900	1.6
175.07599	1.1
175.11189	29.3
175.14864	4.6
178.02515	1.4
182.95923	0.8
193.05009	6.9
193.08733	1.6
193.12233	20.5
193.13934	1.8
193.15813	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	193.1225
Annotation	Cuminyl acetate
Peak:m/z	Relative Intensity
53.03961	0.6
55.01882	1.1
55.05505	3.5
57.03401	0.7
63.79588	0.6
67.05505	2.7
68.94330	0.7
69.07074	1.3
69.99288	0.9
71.04994	2.2
71.49387	0.9
78.47894	0.7
79.05505	4.0
81.07055	3.7
83.93059	0.9
84.04564	0.6
85.02927	0.7
86.08390	0.6
91.05489	20.3
91.26915	0.7
93.07053	7.1
95.04984	1.1
95.08607	1.7
99.04444	0.9
103.05462	1.1
105.07041	45.2
107.08610	2.4
109.06530	1.4
109.10171	1.7
110.95368	1.4
115.05450	1.5
117.07048	1.8
119.08591	21.5
123.11718	1.3
128.96404	5.9
129.07018	2.1
131.08575	7.5
133.06512	1.8
133.10143	100.0
134.10446	0.9
135.11731	0.9
142.07794	2.6
145.10136	0.9
146.97455	17.6
147.08072	1.3
147.11702	16.4
151.09776	0.6
151.11162	0.8
157.10118	4.0
169.99072	9.7
175.11208	10.7
175.14836	1.4
178.96420	1.4
193.00742	1.3
193.10646	1.3
193.12267	10.0
193.15906	1.9
193.17752	0.7
194.15399	0.7
201.98103	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1225
Annotation	Cuminyl acetate
Peak:m/z	Relative Intensity
53.03943	1.4
55.05507	4.6
67.05511	4.7
69.03442	0.9
69.07063	2.0
69.99330	1.5
70.36531	0.7
71.04987	2.0
79.05500	4.7
80.22113	0.7
81.03428	1.0
81.07061	4.2
83.04974	1.3
85.06520	0.7
87.04472	1.0
91.05486	19.5
93.07051	7.8
94.06593	0.9
95.04971	2.2
95.08606	2.5
103.05482	0.8
105.07036	45.5
107.08591	3.4
109.06551	1.6
109.10189	1.1
111.08053	0.9
117.07049	1.1
119.04971	0.9
119.08591	23.4
123.08033	1.8
123.11652	0.9
128.23538	0.8
129.07004	1.8
131.08572	6.7
133.06479	2.4
133.10136	100.0
135.08014	1.1
135.11748	1.6
137.09668	1.3
142.07753	1.0
146.97502	2.1
147.08073	1.9
147.11688	15.4
149.09653	0.9
151.07509	1.0
157.10152	3.5
169.99026	1.0
175.11214	9.8
175.14830	2.1
193.04973	1.9
193.06644	1.2
193.08563	1.7
193.10460	2.1
193.12285	9.5
193.15936	2.7
193.17798	1.4
194.15480	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.1019
Annotation	Ephedroxane
Peak:m/z	Relative Intensity
53.67010	0.2
55.93518	0.6
56.05029	0.3
56.96568	2.2
67.05516	0.3
70.95850	1.2
71.48006	0.4
72.93480	0.3
72.93794	3.8
78.18349	0.3
79.05481	1.1
81.03416	0.4
81.07027	0.4
82.06564	0.6
85.02901	0.3
90.94826	3.9
91.05479	1.8
93.01838	0.3
94.06551	0.3
98.97569	0.8
103.05472	1.6
104.04997	0.3
105.07024	1.3
106.06557	3.7
109.02896	0.3
109.06512	0.6
116.98594	0.3
117.05746	0.3
118.06550	0.6
119.04945	1.1
120.08116	0.4
120.96449	0.3
121.06455	0.4
123.04430	0.4
128.06221	0.4
129.06975	1.0
131.04926	1.4
131.07314	0.4
132.04430	0.6
132.95834	16.1
133.02870	0.6
133.06444	0.4
135.04346	0.4
136.05125	0.3
136.06142	0.6
136.07594	0.4
137.05959	2.2
145.06442	0.4
146.06015	3.1
146.09630	1.0
147.04379	0.9
147.06674	0.8
149.06013	1.6
149.96101	3.1
150.05473	0.6
150.48340	0.3
150.96887	21.1
157.06493	0.5
159.06772	0.5
160.05211	0.6
160.07497	0.4
161.05911	0.3
162.05478	1.3
162.36317	0.3
163.06273	2.6
164.07056	2.0
164.10675	0.4
167.97156	1.9
168.97929	0.6
174.05493	0.9
174.09079	0.6
175.07567	0.6
176.07040	0.7
177.07857	4.8
177.15259	0.4
183.58876	0.6
186.99176	0.4
191.97211	3.4
192.06531	2.7
192.10191	100.0
192.17397	1.9
193.04962	1.1
193.10559	1.4
204.97696	0.4
209.98174	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.0655
Annotation	5-Hydroxyindoleacetate
Peak:m/z	Relative Intensity
56.96569	3.9
57.03422	0.4
61.02946	0.3
66.48937	0.2
69.03424	0.4
69.10010	0.3
70.06586	0.2
70.20333	0.6
70.20724	0.7
70.95867	0.6
72.93784	1.4
73.02911	0.6
79.05499	0.9
85.02897	0.6
90.94838	1.7
91.05479	1.8
97.02902	0.5
98.97595	1.4
103.05467	0.7
103.46886	0.3
105.07033	1.2
106.06545	1.3
107.04986	0.6
110.97581	0.6
114.94852	0.4
116.10722	1.0
116.98647	0.3
118.06536	0.9
119.01896	0.3
119.04977	0.3
119.08597	0.4
120.08127	1.1
128.02397	0.4
128.04964	10.3
128.98621	0.4
129.07011	0.7
129.98944	0.3
131.04961	0.4
131.07329	0.4
132.04428	0.6
132.95839	8.7
136.06175	1.2
137.84763	0.3
145.02837	0.4
146.06013	100.0
146.09648	2.2
147.04424	0.7
147.06355	0.9
147.08104	0.5
149.05922	0.3
149.96135	1.5
150.96892	8.6
163.03888	0.3
164.07082	4.9
164.10649	0.4
167.97163	0.9
168.98116	0.7
171.63635	0.3
174.05539	2.9
174.09166	0.5
175.07509	0.9
186.96825	0.5
186.99200	0.4
187.02818	0.6
191.97226	1.8
192.06563	20.5
192.08549	1.0
192.10182	4.8
192.17389	0.6
209.98224	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1795
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.03944	2.0
55.01853	1.4
55.05512	20.7
55.63696	1.2
57.07086	7.0
65.03937	1.4
67.05513	21.4
69.03441	1.7
69.07071	37.0
69.43649	4.1
69.44071	4.8
70.85683	1.3
71.05000	1.5
79.05493	22.2
81.07060	26.6
83.04948	1.8
83.08617	19.6
91.04967	2.1
91.05488	19.9
93.07049	61.5
95.04952	3.6
95.08614	59.7
97.06518	1.9
97.10179	9.3
103.05496	1.6
104.17211	1.1
105.04467	1.6
105.07030	24.1
106.06571	1.5
107.04948	4.7
107.08601	67.1
109.06525	3.3
109.10160	52.9
115.05443	1.6
116.06191	1.8
117.07018	8.2
119.08568	10.9
121.06506	5.3
121.10146	77.8
123.11724	8.3
129.06998	2.6
130.07771	2.4
131.04915	1.7
131.08580	18.4
133.10138	11.5
135.08081	9.1
135.11696	79.2
143.08517	2.1
145.06502	3.7
145.10143	18.0
146.05939	1.4
147.08066	2.2
147.11681	9.9
148.08751	1.2
148.12477	3.1
149.02306	2.4
149.05974	2.4
149.09634	5.3
149.13264	39.5
158.07291	2.1
158.10931	1.6
160.05098	1.7
163.07553	3.2
163.11197	7.5
163.14853	2.6
173.09634	11.6
173.13245	10.6
174.01875	2.2
176.12109	1.2
191.03247	6.1
191.07054	5.0
191.10677	17.6
191.12260	1.8
191.12599	2.3
191.14323	25.2
191.17955	100.0
192.18094	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.4
55.01870	2.3
55.05512	18.4
56.96561	1.6
57.07089	6.3
65.03933	3.1
67.05505	20.6
69.03432	2.8
69.07071	36.7
69.98309	2.5
69.98707	2.1
71.04988	2.2
79.05078	1.7
79.05499	24.9
80.05803	1.3
81.03414	1.4
81.07057	26.2
81.13288	1.2
82.45866	1.2
82.67864	1.2
83.01312	1.4
83.08623	19.2
91.05482	19.0
91.61246	1.2
91.73971	1.4
93.07048	63.3
95.04977	5.0
95.08611	69.0
97.06554	2.3
97.10164	9.7
98.20824	1.7
105.07034	23.8
107.04981	2.8
107.08601	69.0
109.06516	4.1
109.10164	65.2
117.07034	8.0
119.08575	9.7
121.06488	4.3
121.10150	79.6
123.08102	2.6
123.11710	8.9
129.06976	4.0
130.07806	2.8
131.08577	18.4
133.06479	1.2
133.10156	11.8
135.04526	1.8
135.08089	9.7
135.11699	87.4
142.87263	1.3
143.08546	2.3
145.06480	3.1
145.10126	18.9
147.08142	1.3
147.11693	7.7
148.12439	3.8
149.06017	3.4
149.09619	4.0
149.13269	40.1
158.10890	1.7
161.13312	1.5
163.07516	2.2
163.11191	8.1
163.14813	3.1
173.09633	12.4
173.13290	9.7
174.01793	1.9
191.03387	6.1
191.06978	6.2
191.08875	2.1
191.10663	13.3
191.12628	2.0
191.14320	24.7
191.17953	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1795
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.03934	4.5
55.01847	1.3
55.05515	33.3
55.72294	1.0
57.07089	6.0
58.17509	1.0
65.03920	1.8
67.05186	1.9
67.05509	28.0
69.03414	3.1
69.07076	29.9
69.17889	10.8
71.04975	2.9
71.33517	1.0
77.03915	1.2
79.05498	34.8
81.03422	2.2
81.07062	72.8
83.08622	15.6
83.84782	1.0
91.05491	20.6
93.07051	89.9
95.04953	2.5
95.08612	86.8
97.06508	1.6
97.10175	16.1
98.21554	1.7
99.38039	1.0
105.04542	1.8
105.07038	14.4
107.04950	3.4
107.08604	81.2
109.06516	2.7
109.10165	58.5
111.11718	4.9
117.07002	4.0
119.06087	1.2
119.08581	6.0
121.06501	3.2
121.10150	88.1
122.10455	1.8
123.11709	16.1
130.07788	1.4
131.08595	12.2
133.10149	8.4
134.30629	1.0
135.04466	2.1
135.08102	6.7
135.11700	100.0
136.74110	1.5
143.08553	1.7
145.06401	1.5
145.10135	8.8
147.11684	3.8
149.06009	2.9
149.09631	3.8
149.13264	32.0
158.10912	1.6
163.03970	1.4
163.11246	2.9
163.14787	4.4
173.09634	3.3
173.13283	6.6
190.33000	1.0
191.03365	5.2
191.07080	2.9
191.09038	1.5
191.10663	10.3
191.14340	16.2
191.17958	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	191.1793
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.03954	2.0
55.05512	16.0
56.05016	1.6
57.07081	7.8
60.14513	1.3
63.62471	1.3
65.03919	1.7
67.05504	18.1
68.06210	1.2
69.07065	43.1
69.55087	4.7
69.55515	4.3
79.05495	15.3
81.04542	1.6
81.07057	18.8
83.08614	20.1
91.05482	7.9
93.07044	51.7
95.04996	1.4
95.06113	1.3
95.08607	62.8
97.10159	7.9
98.21490	2.7
103.05468	2.1
105.07026	9.7
107.08595	64.9
109.06495	1.5
109.10161	63.3
110.07158	2.4
117.06993	1.7
119.08560	4.9
121.10143	69.6
123.11710	7.8
131.08554	5.0
133.07649	1.5
133.10133	7.9
135.05620	1.5
135.08063	1.7
135.11690	85.4
142.64107	1.4
144.97968	2.4
145.10118	3.5
147.11676	4.6
148.12456	3.3
149.08279	2.8
149.09532	2.5
149.13258	42.6
150.02655	1.6
150.10249	1.6
160.05034	1.8
163.14832	1.9
173.13199	2.8
191.04710	1.4
191.06946	2.1
191.10631	3.4
191.14383	8.4
191.17946	100.0
192.10228	2.3
192.12424	2.6
209.01497	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1795
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.03939	5.8
55.01876	2.1
55.05513	32.2
57.07067	6.4
65.03953	3.0
67.05176	2.4
67.05508	28.0
69.03426	3.4
69.07072	32.4
70.68883	3.0
70.69267	3.0
71.05000	1.7
77.03938	2.3
78.85321	1.4
79.05497	37.5
81.07059	69.1
83.08630	15.5
91.05479	21.6
93.03416	1.6
93.07050	88.2
95.05008	7.9
95.08613	81.6
97.10178	15.8
105.04540	1.9
105.07035	19.3
105.78436	1.4
106.05858	3.2
106.06561	55.4
107.04958	5.9
107.08595	81.3
109.06548	4.0
109.10159	65.2
111.11704	3.9
115.05424	1.7
117.07021	6.4
119.08602	6.7
121.06508	4.0
121.10151	81.9
123.11716	13.3
129.07028	2.9
131.04919	1.5
131.08574	13.2
133.10150	9.7
134.05003	3.6
134.06026	75.1
135.08075	8.3
135.11699	100.0
137.69577	1.4
145.06511	2.4
145.10155	11.0
147.08049	2.3
147.11682	5.6
149.09627	4.7
149.13266	33.2
150.02704	1.5
158.10965	2.5
163.07571	1.9
163.11211	3.1
163.14836	3.8
168.86650	1.5
173.09627	5.7
173.13306	7.7
191.03416	5.2
191.07043	5.9
191.08774	3.3
191.10559	10.7
191.14348	20.2
191.17964	80.9
211.49255	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1795
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
52.89052	1.2
53.03958	3.3
54.53262	1.1
55.05510	17.7
57.07085	6.7
67.05511	17.1
69.07075	36.8
70.68124	3.5
79.05489	16.2
81.07069	19.4
83.08624	19.5
91.05496	8.4
93.07048	46.9
95.04900	1.4
95.08611	68.7
97.10172	11.0
105.07046	8.5
105.14698	1.4
107.08604	66.0
109.10165	68.9
119.08567	3.3
121.10153	70.3
123.11724	9.9
123.50340	1.5
133.10133	2.4
135.08073	1.9
135.11702	73.2
147.11685	2.3
148.12500	2.1
149.08244	2.2
149.13275	35.7
169.70572	1.3
173.13274	2.0
191.08719	1.2
191.10736	1.5
191.12839	2.1
191.14334	5.6
191.17961	100.0
192.10153	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1794
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.03947	2.0
55.05512	14.5
56.51188	1.2
56.93675	1.1
57.07067	6.3
62.37024	1.0
67.05515	14.5
69.07072	34.8
69.22540	3.1
69.22939	8.6
79.05493	13.5
80.46832	1.2
81.07058	15.9
83.08616	14.5
91.05495	6.7
93.07048	45.6
95.08615	50.9
97.10194	7.4
98.21478	2.1
105.07037	5.7
107.08597	50.0
108.05615	1.8
109.03984	1.7
109.06462	2.2
109.10162	61.0
112.21577	1.1
118.97298	1.1
119.08578	1.5
121.10151	63.6
122.07185	1.2
123.08108	1.2
123.11711	7.9
131.08508	1.6
133.10139	4.6
135.08017	1.3
135.11699	79.8
145.10129	1.4
147.11717	4.1
148.08763	1.4
148.12497	2.6
149.08244	2.2
149.09586	1.4
149.13277	36.6
163.14816	2.6
181.69273	1.5
191.10690	4.0
191.12907	2.4
191.14362	6.3
191.17958	100.0
192.10294	2.9
192.12286	1.1
192.18349	1.2
211.41342	1.2
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
53.03938	1.3
53.77395	1.0
55.05510	14.4
57.07083	5.7
64.05722	1.3
67.05503	16.4
69.07068	34.1
69.80047	5.8
79.05491	13.3
80.64359	0.9
81.07056	15.9
82.96113	1.0
83.08624	15.8
91.05480	4.6
93.07045	47.9
95.04993	1.1
95.08608	60.7
97.10155	7.4
105.07018	4.8
107.08592	54.3
109.10158	59.3
110.10471	1.1
111.11688	1.0
119.08578	2.1
121.10140	65.0
123.11709	8.3
133.10138	3.4
134.75751	0.9
135.11693	86.1
136.12021	1.1
137.04208	0.9
142.92386	1.0
147.11707	3.1
148.12431	4.7
149.13263	43.0
163.14845	2.4
173.09630	1.2
191.17949	100.0
191.69440	1.0
192.18309	1.4
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	Unknow
Peak:m/z	Relative Intensity
53.03947	2.2
55.05513	16.1
57.07067	9.4
60.81996	1.5
61.92868	1.5
63.77318	1.6
67.05505	23.0
69.06688	1.9
69.07066	38.2
70.15120	1.8
71.49453	2.3
73.03572	1.5
75.38364	1.5
79.05486	20.5
81.07049	22.0
82.02952	1.5
83.08617	17.5
91.05466	9.8
93.06492	3.5
93.07050	55.8
93.31705	1.7
94.87347	1.5
95.08607	70.9
97.10149	8.1
105.07034	9.1
107.08599	64.2
109.10157	63.2
119.08598	5.9
121.10143	64.8
123.08070	1.8
123.11732	8.1
131.08572	3.6
133.10126	7.2
134.13098	1.7
135.08012	2.4
135.11694	80.6
145.10135	3.6
147.11694	4.9
148.12471	4.9
149.08348	2.3
149.13268	42.5
150.10338	1.8
160.04955	1.9
163.14796	3.0
173.13228	4.7
191.07091	2.6
191.09131	1.6
191.10704	2.9
191.12875	2.3
191.14334	9.0
191.17949	100.0
192.10193	3.9
192.17448	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	191.1795
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.03936	1.5
55.05512	15.0
55.79246	0.8
57.07079	7.2
65.03948	0.9
67.05505	16.6
69.07070	34.7
69.37737	6.2
69.83282	0.9
79.05495	15.5
81.07059	17.6
83.08149	1.5
83.08613	16.2
91.05473	8.0
93.07043	48.4
95.08611	66.0
97.10165	7.9
100.74796	0.8
105.07028	9.0
107.08601	58.3
108.08930	1.2
109.10160	57.4
110.07162	1.4
119.08571	3.7
121.06509	0.9
121.10148	66.3
123.11710	9.1
131.08554	3.8
133.07593	1.4
133.10123	4.8
135.11694	82.2
145.10085	2.7
147.11670	3.1
148.12512	4.4
149.09584	0.9
149.13264	41.7
150.10307	1.1
160.05107	1.1
161.13223	1.3
163.14783	1.3
173.09631	1.3
173.13205	2.2
176.21402	1.0
177.07916	1.4
191.06999	1.4
191.10701	3.2
191.14362	7.0
191.17950	100.0
192.10242	1.5
192.12318	1.6
192.18327	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1795
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
50.04937	1.1
53.03933	1.1
55.05515	13.5
57.07083	6.9
59.02555	1.0
67.05510	16.2
68.83414	1.2
69.07072	36.2
70.60410	1.2
77.03915	1.0
79.05505	16.1
81.07072	14.9
83.08629	18.3
91.05479	5.9
93.07053	48.9
94.30465	1.1
95.08615	63.8
97.10182	6.7
105.07027	6.3
107.08597	55.9
109.04031	1.8
109.10166	61.8
119.08575	3.0
121.10151	74.4
123.11711	6.0
131.08574	1.2
133.10132	4.1
135.11699	90.5
136.12074	1.5
147.11703	2.7
148.08772	1.3
148.12479	3.0
149.08266	1.7
149.13269	45.2
150.02571	1.1
161.13246	1.5
163.14911	2.1
173.13254	1.1
191.07124	1.2
191.14374	6.9
191.17955	100.0
192.10237	2.9
192.17542	1.9
208.53043	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03940	4.7
55.01868	2.1
55.05518	8.3
57.07065	6.1
59.04996	7.4
65.03946	2.8
67.05507	22.4
69.03444	3.3
69.07067	10.1
71.05008	10.6
71.48490	2.9
73.75288	1.5
79.05492	23.6
81.07068	25.1
83.04965	2.1
83.08609	3.7
85.06537	6.1
90.53927	1.8
91.05484	33.6
93.02502	1.9
93.06491	3.2
93.07047	37.3
95.04955	7.9
95.08611	19.0
97.06528	6.8
99.08124	1.8
103.05493	2.3
105.07037	56.2
107.04958	5.4
107.08603	55.4
108.45013	1.7
109.06521	16.7
109.10162	31.5
111.08084	3.4
115.05466	5.3
116.06219	2.3
117.07014	15.9
119.08593	26.1
121.06529	8.8
121.10148	31.4
123.08067	8.7
123.11758	1.9
128.06204	1.7
129.07010	7.1
130.07779	3.7
131.07600	3.9
131.08572	69.4
133.10147	45.5
134.05984	2.3
135.04466	2.0
135.08063	35.6
135.11726	9.5
143.08572	9.7
144.09343	5.6
145.06467	2.6
145.10129	47.3
147.08064	4.7
147.11691	33.4
148.12454	2.1
149.09650	10.2
149.12181	3.4
149.13269	24.4
158.10904	17.5
161.09636	3.5
163.11237	2.6
163.14850	3.3
171.11682	2.9
173.09615	3.2
173.13271	99.0
174.01918	4.3
176.11958	2.4
179.53136	2.3
191.03389	4.5
191.07033	5.5
191.08673	2.1
191.10619	10.5
191.14322	100.0
191.17935	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.6
55.01868	1.2
55.05279	1.2
55.05511	14.2
57.07059	4.3
59.05006	11.8
64.69814	1.3
65.03931	2.4
67.05512	13.8
69.03426	4.6
69.07068	19.9
70.66629	1.3
71.02484	7.5
71.04992	6.9
73.06581	1.5
74.15086	1.2
79.05493	20.4
81.07059	34.0
83.04966	2.2
83.08624	7.6
85.06528	5.8
90.09186	5.5
91.05482	24.2
93.07046	48.4
94.07380	1.3
95.04963	3.4
95.08604	33.9
96.89776	1.2
97.06522	7.4
97.10151	5.2
103.05430	2.1
105.07034	65.2
107.04964	4.0
107.08595	58.1
107.09189	0.8
109.06491	7.9
109.10159	25.8
111.08096	4.7
115.05443	2.4
117.07011	6.9
119.04933	1.9
119.08578	24.0
121.06532	10.3
121.10148	61.1
122.06033	5.3
123.04449	1.4
123.08083	5.6
123.11708	5.1
129.06990	3.6
131.04951	2.1
131.08571	35.8
133.06509	2.0
133.10139	46.7
135.08054	20.2
135.10706	2.2
135.11697	33.5
136.07515	1.4
143.08508	7.7
144.09355	2.7
145.06471	2.2
145.10129	24.5
145.53893	1.3
147.04413	1.3
147.08035	2.3
147.11693	47.4
149.02371	2.5
149.05957	4.3
149.07039	1.7
149.09608	8.2
149.13257	38.2
158.10902	14.3
160.05359	1.4
161.09673	1.8
163.03915	1.3
163.11118	3.7
163.14763	6.2
173.09604	3.6
173.13277	57.0
174.01843	1.6
176.04657	1.6
176.11858	1.6
191.03331	10.5
191.06969	4.9
191.08417	3.1
191.10703	9.7
191.14314	100.0
191.17958	25.8
192.14722	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03933	2.2
55.05514	5.9
57.07074	1.8
61.96861	1.6
67.05185	1.7
67.05505	19.3
67.30742	1.4
69.03410	3.9
69.07072	9.7
69.37775	10.6
70.28326	1.2
71.04994	22.9
73.26398	1.1
79.05497	15.4
81.07058	15.4
83.04968	1.3
83.08611	2.6
85.06546	8.5
91.05485	23.7
93.07059	21.5
95.04951	9.5
95.08611	22.5
95.09536	1.3
97.06532	14.5
98.20802	3.0
103.05466	1.9
105.07034	37.7
106.06548	2.8
107.04939	1.5
107.08598	52.2
109.06507	12.8
109.10163	48.6
111.08058	4.2
115.05486	1.5
116.06200	1.4
117.07001	4.5
119.06097	1.1
119.08591	16.7
121.06507	6.0
121.10144	47.5
123.08073	12.5
129.06979	3.6
130.07799	1.5
131.08569	41.8
131.75548	1.1
133.06519	1.6
133.10132	33.1
134.06030	2.2
135.08060	36.5
135.11678	6.9
137.09702	1.6
143.08572	6.9
144.09314	1.9
145.10139	13.6
147.08087	1.4
147.11694	19.6
148.12491	1.5
149.06004	1.4
149.09625	10.3
149.13269	17.5
150.02734	2.0
150.10390	2.2
158.10925	8.7
161.05634	1.1
163.07582	1.5
163.11166	2.2
163.14839	2.5
173.09698	2.8
173.11760	2.7
173.13271	49.4
191.03346	2.4
191.07047	2.2
191.10704	4.7
191.14308	100.0
191.17970	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	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16604	0.9
53.03949	1.8
55.01854	0.9
55.05505	3.9
57.07061	2.1
65.03947	1.1
67.05515	9.9
69.03440	5.9
69.07074	9.7
70.62093	2.0
70.62448	1.4
71.04996	12.2
74.09570	0.9
78.08786	0.9
79.05494	9.7
81.07060	12.6
83.04983	1.9
83.08620	3.0
85.06544	6.9
89.03902	1.6
91.05486	17.6
93.07049	21.7
95.04977	5.0
95.08611	16.7
97.06539	13.3
103.05496	0.9
105.06328	1.0
105.07038	27.7
106.06536	2.3
107.04947	3.8
107.08599	31.0
109.06515	9.1
109.10160	8.9
111.08088	3.3
115.05434	1.4
116.06249	1.0
117.07004	4.9
119.08583	14.7
121.06495	3.8
121.10151	36.6
123.04431	1.0
123.08078	2.9
123.11684	1.7
129.07005	3.1
130.07768	1.4
131.04909	2.7
131.08578	21.4
133.06429	1.1
133.10141	26.2
134.06007	1.8
135.04401	1.2
135.08058	21.0
135.11707	7.7
143.08600	5.4
144.09329	1.2
145.10115	11.7
147.08061	1.7
147.11690	15.2
149.05984	4.9
149.09625	5.9
149.13252	15.2
158.10901	8.4
161.09715	1.1
163.11154	2.0
163.14844	2.2
173.09659	1.9
173.13268	29.8
191.03406	11.0
191.06892	5.0
191.10681	9.0
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	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32640	0.4
53.03949	0.6
54.00270	0.3
55.01873	4.1
55.05508	1.8
57.03450	0.5
57.07061	0.8
59.92394	0.4
67.05492	1.2
69.03416	0.9
69.07072	16.4
69.22255	0.8
69.22662	2.9
79.05493	2.7
81.07046	2.5
83.04982	2.0
83.08599	1.1
83.34101	0.4
85.06538	0.4
91.05479	5.5
93.07045	14.8
95.04958	1.1
95.08609	3.7
97.06521	2.5
105.07031	5.5
107.04952	1.0
107.08604	11.0
109.06509	1.4
109.10161	1.8
111.08110	0.5
115.05421	0.7
117.07030	2.4
119.08572	3.5
121.06512	17.3
121.07393	0.9
121.10143	10.3
121.10801	0.2
123.04400	0.5
123.08067	2.2
129.07097	0.5
131.04897	0.4
131.08577	5.9
133.10130	7.1
135.08054	9.5
135.11691	4.4
137.09604	1.4
143.08583	0.9
144.09323	0.4
145.10127	3.6
147.08026	0.8
147.11688	25.7
149.05984	0.7
149.09644	4.2
149.13264	8.5
151.00238	0.4
158.10921	1.5
161.09631	7.3
161.10941	0.5
163.07506	0.7
163.11169	1.1
163.14816	1.5
173.09627	0.7
173.13271	10.3
176.04712	0.4
176.11943	2.5
191.03413	1.4
191.07053	1.6
191.14311	100.0
192.14604	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03949	0.6
55.01641	0.3
55.01875	4.2
55.05513	2.5
57.03424	0.6
57.07064	0.4
63.45195	0.4
65.03946	0.6
67.05508	4.2
69.03433	5.8
69.07072	16.2
71.04656	0.4
71.04999	3.9
71.49354	0.5
77.03919	0.5
79.05078	0.4
79.05494	5.5
81.07063	4.8
83.04996	2.9
83.08615	1.2
85.06536	1.7
91.05482	14.1
93.07047	16.5
95.04991	1.7
95.08607	5.8
97.06519	3.2
97.10163	0.5
103.05450	0.8
105.07036	9.5
107.04939	0.7
107.08598	17.5
109.06529	1.8
109.10165	7.1
111.08080	0.7
115.05463	1.0
116.06223	1.3
117.07030	4.9
119.07803	0.5
119.08592	5.4
121.06509	16.7
121.10146	16.3
123.08068	4.4
123.11726	0.7
128.06232	0.5
129.07019	3.4
129.39209	0.3
130.07779	0.7
131.04939	0.8
131.08574	32.3
132.08908	0.5
133.06442	0.4
133.10136	9.1
135.04416	0.5
135.08067	10.0
135.11693	6.6
137.09613	1.0
138.49362	0.4
143.08537	1.6
144.09348	0.5
145.06444	0.8
145.10129	9.7
146.10426	0.4
147.08003	0.6
147.11693	25.8
148.08888	0.3
149.05989	0.8
149.09639	4.1
149.13263	8.0
155.08577	1.0
158.10925	2.5
161.09637	6.0
161.13295	0.5
163.03839	0.4
163.11201	1.5
163.14867	1.7
173.09631	4.3
173.13271	13.7
176.12025	1.7
191.03319	0.5
191.07066	1.4
191.10754	7.5
191.14313	100.0
192.14687	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
55.01851	1.4
55.05506	3.6
55.81029	1.2
57.03407	1.5
62.79721	1.3
66.12169	1.2
67.05492	4.0
69.03434	10.3
69.07053	5.5
69.33283	10.3
71.05001	3.0
79.05479	5.8
81.07049	4.6
83.04992	6.7
85.06528	2.1
91.05486	16.5
93.07050	10.0
93.92992	1.3
95.04953	1.7
95.08599	5.8
96.08472	1.3
97.06532	7.7
98.58653	1.3
98.71745	1.2
103.05476	1.5
105.07034	30.1
107.08605	29.0
108.71001	1.2
109.06487	4.4
109.10133	5.5
110.79578	1.3
115.05439	1.9
117.07033	3.7
119.08601	11.9
121.06517	3.7
121.10142	15.3
123.08038	6.2
123.11697	2.0
123.82491	1.2
129.07053	2.9
130.07849	1.9
131.08577	34.0
133.10135	100.0
135.08043	15.1
135.11641	1.9
143.08556	5.4
144.09303	1.4
145.10110	13.5
147.11682	7.6
147.12651	1.4
149.06030	2.0
149.09578	4.4
149.13289	12.9
155.77393	1.4
158.10916	11.7
161.09595	3.2
163.11177	1.9
163.14943	1.5
173.13269	37.0
176.11929	1.9
191.07019	2.5
191.14311	72.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03950	1.3
55.05505	2.3
57.07057	2.3
59.04977	1.3
63.51534	1.0
67.05491	3.3
67.95515	1.0
69.03426	7.3
69.07071	6.0
70.64297	4.1
70.64711	0.9
71.04986	1.9
78.04143	1.1
79.05477	4.4
81.07034	4.6
83.04990	6.4
83.08575	1.3
85.06547	2.2
91.05479	12.8
93.07059	7.9
95.08617	5.5
97.06541	6.5
103.05473	7.6
105.07029	24.8
107.04987	1.8
107.08592	35.2
109.06506	3.2
109.10153	1.9
115.05490	1.6
116.06346	1.0
117.07017	3.8
119.08578	11.1
121.10149	15.6
123.08069	5.5
129.07040	3.0
131.04927	13.9
131.08565	26.6
133.10132	100.0
135.08057	10.2
135.11700	2.7
143.08565	5.5
145.10115	13.6
146.05984	2.0
147.11691	7.1
148.05243	1.9
149.09634	3.1
149.13232	11.9
149.19429	1.0
158.10936	11.1
159.04396	3.2
160.05130	5.9
161.09596	2.6
163.07590	6.1
163.14801	2.7
173.13258	38.6
176.04756	6.3
176.11888	1.6
191.07047	10.5
191.14310	82.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
50.34735	2.6
53.03939	3.3
55.01871	7.4
55.05490	4.1
55.29443	2.7
56.96552	3.1
57.03436	2.6
57.07082	2.9
60.04513	5.7
61.01143	11.7
61.26268	2.8
65.03945	3.1
67.05490	7.1
69.03435	6.3
69.07056	5.6
69.40160	5.6
69.40559	15.8
71.05003	5.9
72.04521	44.3
78.03802	26.5
79.05479	11.0
81.07054	10.3
83.04979	4.1
83.08621	3.8
86.06065	5.1
91.05491	24.8
93.07055	14.6
95.04966	6.4
95.08621	13.0
97.06541	6.6
97.69419	2.7
102.03778	35.0
103.02177	100.0
103.05473	15.9
105.07041	33.2
107.08617	22.4
109.06537	17.9
109.10159	24.3
114.03804	12.7
114.05547	84.8
115.02121	3.0
115.05495	4.3
117.07004	10.1
119.08581	17.3
120.04816	74.9
120.05687	3.6
121.06500	5.6
121.10172	20.2
123.08053	7.8
123.11660	3.5
129.06993	8.4
131.04942	30.6
131.06418	16.0
131.08582	56.8
132.04788	22.2
133.06503	2.6
133.10143	80.4
135.08060	31.6
135.11736	4.2
143.08549	7.1
145.06488	3.9
145.10132	28.2
146.05991	9.1
147.11693	10.5
148.05133	3.4
149.06035	7.5
149.07442	52.6
149.09518	13.5
149.13277	14.0
158.10953	13.5
159.04446	3.7
160.05093	41.8
162.05809	2.9
163.07523	12.9
163.11255	3.4
173.09641	5.1
173.13248	48.6
174.05844	12.6
176.04716	15.9
191.06987	20.4
191.08505	31.9
191.10638	9.0
191.14317	60.5
191.16064	3.3
192.07622	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	191.1067
Annotation	2,6-Dimethyldeca-2,4,6,8-tetraenedial
Peak:m/z	Relative Intensity
51.02373	1.0
53.03954	2.4
55.01864	3.6
55.05512	3.2
57.03448	1.0
58.14201	0.6
65.03936	1.4
67.05509	11.5
69.03452	1.1
69.07076	4.0
69.84025	2.9
71.01365	0.9
71.05003	1.6
79.05494	20.4
81.03425	4.3
81.07059	8.8
82.79636	0.7
83.04996	2.9
83.08609	1.1
85.06545	0.9
91.05484	44.9
93.07047	19.1
95.04975	4.5
95.08606	6.2
97.06538	2.5
99.33049	0.7
103.05481	3.1
105.03437	1.0
105.07031	15.3
105.07694	1.1
107.04968	7.9
107.08598	17.7
109.06525	2.8
109.10164	4.5
115.05467	1.8
116.06279	3.9
117.07031	20.8
119.04953	0.7
119.08599	14.4
121.06511	4.3
121.10149	10.2
123.08059	2.2
128.06212	2.3
129.07018	20.3
130.07816	3.7
131.04932	2.2
131.08572	100.0
132.08881	1.2
133.10170	6.0
135.04419	0.8
135.08058	4.5
135.11694	20.3
143.08585	2.4
145.06493	4.6
145.10132	35.3
147.08055	13.9
147.11710	2.4
149.02318	0.7
149.05916	1.0
149.09586	5.7
149.13263	2.9
153.07072	1.1
155.08546	8.0
158.07332	1.2
158.10948	0.9
160.05064	0.9
163.03946	0.8
163.11191	28.5
163.12552	1.6
168.25816	0.8
173.09631	25.4
173.13263	5.2
174.01891	0.7
191.03397	2.6
191.07001	2.2
191.10664	38.5
191.14288	10.7
191.17960	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	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03940	3.5
53.64295	1.4
54.44109	1.4
55.01854	1.5
55.05497	6.3
57.07063	2.1
62.39019	1.5
67.05505	19.8
67.47821	1.8
69.07063	9.7
71.04997	2.4
71.49207	1.9
72.20940	1.5
79.05495	34.2
81.07057	35.7
83.04976	5.2
83.08610	5.3
85.06541	1.6
91.05490	32.5
93.07047	49.2
93.07643	2.6
95.04966	7.0
95.08611	30.9
97.06532	12.0
105.07027	25.0
107.04911	2.4
107.07885	2.5
107.08598	42.3
109.06518	11.4
109.10175	7.1
111.08070	4.7
117.07021	12.5
119.08581	13.1
121.06525	3.6
121.10168	13.2
123.08059	4.0
129.06949	2.1
131.08572	66.8
133.10170	10.0
135.08054	8.1
135.11707	13.2
145.10112	18.8
147.11693	29.8
149.09624	6.3
149.13254	9.3
150.02704	1.7
163.11214	4.1
163.14825	6.1
173.13269	99.9
191.10654	3.2
191.14310	100.0
191.17978	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	191.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.0
53.03954	2.4
55.01864	3.6
55.05512	3.2
57.03448	1.0
58.14201	0.6
65.03936	1.4
67.05509	11.5
69.03452	1.1
69.07076	4.0
69.84025	2.9
71.01365	0.9
71.05003	1.6
79.05494	20.4
81.03425	4.3
81.07059	8.8
82.79636	0.7
83.04996	2.9
83.08609	1.1
85.06545	0.9
91.05484	44.9
93.07047	19.1
95.04975	4.5
95.08606	6.2
97.06538	2.5
99.33049	0.7
103.05481	3.1
105.03437	1.0
105.07031	15.3
105.07694	1.1
107.04968	7.9
107.08598	17.7
109.06525	2.8
109.10164	4.5
115.05467	1.8
116.06279	3.9
117.07031	20.8
119.04953	0.7
119.08599	14.4
121.06511	4.3
121.10149	10.2
123.08059	2.2
128.06212	2.3
129.07018	20.3
130.07816	3.7
131.04932	2.2
131.08572	100.0
132.08881	1.2
133.10170	6.0
135.04419	0.8
135.08058	4.5
135.11694	20.3
143.08585	2.4
145.06493	4.6
145.10132	35.3
147.08055	13.9
147.11710	2.4
149.02318	0.7
149.05916	1.0
149.09586	5.7
149.13263	2.9
153.07072	1.1
155.08546	8.0
158.07332	1.2
158.10948	0.9
160.05064	0.9
163.03946	0.8
163.11191	28.5
163.12552	1.6
168.25816	0.8
173.09631	25.4
173.13263	5.2
174.01891	0.7
191.03397	2.6
191.07001	2.2
191.10664	38.5
191.14288	10.7
191.17960	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	191.085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	5.3
55.05519	7.4
55.15739	2.5
60.04524	5.6
61.01148	12.7
67.05524	15.0
67.47122	2.7
69.03430	5.8
69.07068	9.1
69.76277	8.3
69.76693	8.8
71.05010	4.3
72.04519	47.8
78.03801	33.2
79.05489	9.8
81.07057	10.5
83.04982	3.5
85.06538	3.6
86.06065	6.1
91.05499	27.9
93.07050	12.6
95.04977	9.3
95.08612	13.4
97.06537	5.8
102.03788	27.2
103.02177	95.5
103.05456	16.0
104.02870	2.8
105.07043	35.2
107.04974	5.3
107.08599	27.8
109.06511	14.9
109.10163	28.0
114.03804	17.3
114.05540	100.0
115.05463	7.2
116.06203	5.8
117.07037	11.9
119.08605	17.8
120.04810	78.6
121.06525	10.9
121.10156	19.3
123.08057	7.2
123.11728	4.2
131.04938	29.3
131.06419	9.3
131.08577	54.1
132.03944	3.8
132.04765	19.8
132.05637	3.4
133.06453	3.3
133.09135	4.1
133.10141	83.2
135.08060	36.5
135.11739	3.1
143.08600	7.7
145.10162	27.2
146.06039	5.5
147.08063	5.0
147.11684	7.0
148.05153	5.0
148.08818	3.3
149.05988	10.5
149.07455	45.5
149.09624	9.9
149.13245	16.8
158.10947	14.2
159.04514	6.8
160.05089	29.9
163.07570	19.3
163.11328	4.2
163.14882	3.6
173.09793	3.3
173.13277	51.2
174.05859	9.9
176.04701	21.0
176.11984	4.5
191.07030	34.9
191.08568	26.1
191.10690	10.2
191.14313	54.9
191.16100	5.6
192.07672	4.3
194.79974	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	190.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.0
53.03948	8.9
55.01864	0.6
69.62885	0.9
69.63306	2.5
69.99304	0.9
71.02460	1.9
72.48899	0.6
77.03931	1.8
79.05525	0.6
80.54628	0.5
81.03420	1.1
87.01965	3.8
91.05467	0.8
92.05000	3.9
95.04967	8.1
98.20859	1.1
104.04990	100.0
105.04505	4.3
105.05204	0.7
105.07036	1.2
106.06554	0.9
107.08586	0.8
115.77913	0.5
119.08601	0.7
119.97620	0.5
120.04466	17.5
120.08900	0.7
121.02886	0.8
122.06020	0.9
131.08542	1.0
133.10078	0.5
134.05983	0.7
145.03981	8.5
145.05042	1.0
147.05493	3.7
147.06538	0.6
148.12001	0.6
149.02333	6.0
153.84660	0.5
162.13464	0.6
163.05000	2.6
172.04045	0.5
175.11064	0.5
190.06133	37.8
190.08778	1.8
190.13028	0.8
190.16690	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.1261
Annotation	EPTC
Peak:m/z	Relative Intensity
50.99067	1.3
53.76301	0.4
55.05505	0.7
57.07079	23.4
59.98844	0.4
59.99117	4.7
62.99065	0.7
64.46371	0.5
64.88214	0.4
69.22962	4.3
76.50471	0.4
78.00156	35.5
84.08118	0.7
84.28722	0.4
86.09711	8.9
88.02233	0.6
92.01692	1.1
116.05293	0.9
134.06357	42.9
145.06454	0.5
148.07901	3.7
149.02350	0.5
156.33214	0.4
163.29179	0.4
190.12613	100.0
191.12874	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0501
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
54.42671	0.2
60.08143	0.2
70.94023	0.4
72.93792	0.3
74.64268	0.2
81.21244	0.2
81.21913	0.2
85.02924	0.2
89.03916	1.2
91.05482	0.4
99.23875	0.2
108.04409	0.2
113.33908	0.2
116.04985	3.8
118.06489	0.2
119.57512	0.2
130.06548	0.4
130.96304	0.3
131.50520	0.2
134.06010	0.2
144.04448	2.3
144.08078	0.3
148.97353	0.3
149.02318	0.3
149.94142	0.2
159.51262	0.2
162.05510	100.0
163.05881	1.6
164.05997	0.3
171.83324	0.2
190.04999	34.1
191.03465	0.2
191.05327	0.7
199.20607	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.2
55.05506	3.1
57.03418	1.5
69.03430	4.9
71.03191	2.4
72.93794	1.2
77.07684	1.3
79.05483	5.2
81.07073	1.9
83.68649	1.4
85.02933	1.3
91.05482	23.0
93.07085	1.4
95.04958	1.4
98.20741	1.3
101.78010	1.3
103.05464	2.9
105.07037	19.6
107.04953	17.7
107.08619	3.5
115.05430	3.9
117.07016	6.6
118.04147	5.0
119.04939	7.0
119.08576	21.6
121.10167	1.7
128.06250	9.1
129.07024	9.2
130.07767	5.1
131.04930	2.5
131.08583	6.8
132.05719	1.3
133.06488	15.2
133.10162	9.9
135.04424	15.7
141.07005	12.5
143.08557	14.0
144.09357	2.1
145.06493	2.8
145.10130	19.2
146.07256	1.6
147.04416	96.2
147.08046	10.4
147.11700	17.0
148.04764	1.7
155.08546	4.0
156.09352	76.2
159.08083	8.3
159.11710	18.2
160.05203	12.0
160.08896	1.4
161.05974	5.1
161.09633	6.7
161.13263	3.5
167.00023	1.8
171.04315	1.7
171.11697	78.4
174.06822	3.0
174.10387	10.3
189.05531	2.3
189.09119	44.6
189.12741	100.0
189.16399	4.5
190.13086	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	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61436	0.8
51.73948	0.8
55.05506	3.4
57.03419	3.1
61.97867	1.1
65.03938	1.5
67.05493	2.2
68.99797	1.5
69.03423	4.9
70.50898	0.9
71.09477	0.8
71.49082	1.2
72.08158	1.8
72.93743	0.9
77.03934	1.7
77.51530	1.0
79.05494	5.9
81.07085	1.3
83.04991	1.5
85.02438	1.9
85.02909	17.8
87.00827	5.3
89.03931	1.4
91.05485	25.3
93.07044	2.6
95.04977	1.8
95.08540	1.0
103.05468	4.1
105.01861	1.1
105.03438	1.1
105.07032	23.9
107.04967	16.4
107.08603	3.1
111.00769	1.2
115.05434	5.0
116.06239	1.5
117.07022	5.2
118.04150	4.8
119.04931	6.4
119.08586	24.4
121.06503	5.5
128.06226	21.2
129.05569	1.1
129.07022	26.5
130.07834	6.1
131.04932	7.3
131.08569	8.4
133.06491	17.4
133.10132	10.1
135.04424	16.3
141.06981	8.4
143.08563	13.8
144.05727	2.1
144.09358	1.9
145.06482	5.7
145.10136	11.8
146.03667	1.9
146.06236	1.6
146.07294	9.2
146.10916	1.3
147.04419	79.1
147.08072	11.0
147.11702	15.5
148.05098	2.0
149.78180	1.2
155.06050	2.1
155.08556	1.9
156.09358	43.3
157.06502	9.1
158.07271	2.5
159.04404	1.8
159.08084	8.2
159.11699	11.7
160.05180	10.2
160.08896	2.3
161.05998	27.5
161.09625	31.3
161.13275	4.5
171.04396	2.4
171.08040	4.6
171.11688	52.6
174.06786	18.8
174.10381	10.8
189.05482	3.9
189.09119	100.0
189.12735	79.2
189.16345	2.2
190.09569	1.2
207.12605	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12531	0.9
53.03939	2.3
55.01875	4.1
55.05501	2.4
57.03419	1.2
65.03928	2.9
67.05508	20.7
69.03419	1.1
69.07069	1.9
71.00231	1.3
71.00552	1.0
77.79602	0.7
79.05499	8.6
81.07060	4.2
83.04967	1.7
85.02901	2.1
91.05489	23.3
91.81544	0.8
93.07038	3.5
95.04973	17.2
95.08599	6.6
103.05457	1.5
105.02721	1.5
105.03393	18.5
105.07040	22.6
107.04962	100.0
107.08591	3.1
109.10164	1.0
115.05456	6.9
116.93965	0.8
117.07031	10.4
118.06564	2.0
119.04929	3.5
119.06892	5.7
119.08600	15.9
121.02882	6.8
121.06475	1.1
121.10154	1.6
123.04436	1.6
128.06235	12.8
129.07018	4.8
129.30614	0.8
130.07808	0.9
131.04944	2.6
131.08603	2.4
132.05684	1.3
133.02823	1.3
133.06496	12.3
133.10141	17.0
141.06978	1.0
141.58214	0.7
143.04893	1.2
143.08565	17.1
144.07672	1.4
145.06497	16.0
145.08409	1.7
145.10130	3.5
146.06010	2.3
146.07193	1.6
147.04427	1.8
147.06383	10.5
147.08038	9.8
147.11691	8.5
150.59924	0.8
152.06270	0.9
153.07056	3.7
155.06056	1.7
156.09331	2.1
159.08017	1.1
160.05220	2.4
160.26634	0.8
161.05977	4.7
161.09628	25.4
161.13237	2.5
166.21460	0.9
171.06525	1.8
171.08054	24.0
171.11656	3.2
174.06775	1.6
174.10439	1.2
189.05527	3.6
189.09113	46.2
189.12643	7.8
189.16400	12.7
207.02899	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0911
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
51.02371	1.5
53.03937	2.8
55.01876	6.6
55.05499	5.9
56.96578	1.2
57.03439	1.8
63.84414	1.6
65.03928	3.0
65.29341	1.3
67.05503	28.1
69.03421	1.4
69.07058	3.9
69.97294	7.1
77.03920	1.4
79.05496	15.6
79.41556	1.6
81.03450	1.2
81.07065	14.6
85.02901	1.7
91.05487	41.7
93.07051	8.8
95.04977	13.1
95.08597	12.4
97.06534	2.0
98.20889	2.2
103.05416	2.0
105.03403	8.0
105.07036	45.1
107.04961	68.2
107.08609	7.6
109.02897	2.2
109.10151	5.8
115.05452	17.8
117.07011	13.9
119.04937	3.1
119.08585	36.0
121.02870	6.0
121.10164	4.7
123.04412	5.7
128.06215	27.5
129.07010	26.1
131.04958	3.3
131.08571	6.9
132.05692	3.3
133.02797	2.7
133.06511	16.2
133.10132	31.8
141.06993	1.7
143.04941	4.0
143.08559	35.6
145.06502	16.8
145.10127	10.7
146.07326	2.2
146.10896	2.3
146.62405	1.4
147.04413	5.9
147.08049	12.6
147.11693	17.1
152.06197	1.8
152.80325	1.6
153.07039	4.7
155.06065	4.7
156.09360	5.9
157.06467	7.0
160.05209	55.2
161.02338	2.3
161.05984	87.6
161.09607	29.0
161.13301	9.0
171.08046	26.9
171.11694	11.3
174.06783	10.0
179.99918	1.5
189.01761	1.6
189.05484	5.3
189.09123	100.0
189.12715	20.8
189.16386	32.0
189.18098	1.3
207.02829	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.091
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
53.03940	2.0
55.01881	3.0
55.05503	0.8
57.03436	0.9
65.03941	3.2
67.05505	23.0
69.03425	0.5
69.07071	0.7
69.23633	4.7
69.23961	0.5
77.03922	1.0
79.05494	6.6
81.07047	0.8
83.04984	1.9
85.02912	0.6
91.05486	16.5
93.07036	1.2
95.04971	17.0
95.08598	1.0
99.54199	0.4
103.05449	1.1
105.03397	16.0
105.07042	11.8
107.04958	100.0
108.05290	0.5
111.04453	0.7
115.05462	4.4
117.07026	9.0
119.04928	2.8
119.08577	6.2
121.02876	8.5
121.06473	0.6
123.04401	1.5
128.06230	9.8
129.07054	3.1
130.07829	0.6
131.04912	1.5
131.08560	1.7
132.05750	1.0
133.06487	10.8
133.10129	7.7
141.07040	0.8
143.07515	0.9
143.08569	13.7
145.06494	14.4
145.10153	1.3
146.07251	1.6
147.04413	1.6
147.08060	9.4
147.11705	1.8
150.06886	0.5
152.06152	0.5
153.07027	3.1
155.06007	2.2
159.08020	1.0
161.05969	1.0
161.09627	25.1
161.13272	0.6
163.26599	0.5
171.08057	19.4
171.09534	1.0
176.31064	0.6
189.09111	38.9
189.12726	1.4
189.16377	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	189.091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.5
55.01875	6.8
55.05519	1.2
57.03442	2.4
65.03945	5.1
66.58248	0.8
67.05508	34.5
68.99805	1.5
69.03445	0.9
69.07068	1.6
71.49429	0.7
73.02950	0.9
77.20879	0.8
79.05067	1.3
79.05499	14.2
81.03423	2.0
81.07079	1.3
83.04984	2.9
85.02904	8.2
87.00845	1.8
91.05482	37.5
93.03432	1.1
93.07045	2.3
95.01310	1.4
95.04972	20.4
95.05579	1.5
95.08621	2.7
96.36294	0.8
96.67194	0.7
97.06532	0.9
103.05473	2.8
105.03419	5.0
105.07034	20.0
107.04961	100.0
109.02889	3.4
111.04460	1.2
115.05444	7.3
117.07021	17.2
119.04939	3.7
119.08582	11.3
121.02884	12.9
121.06527	1.1
123.04439	5.4
128.05276	1.4
128.06227	27.2
129.07028	5.7
130.07784	1.5
131.04913	1.4
131.08571	2.8
132.05708	1.9
133.06503	15.4
133.10136	13.5
135.04382	1.2
141.07014	2.0
143.08565	35.0
145.06490	23.2
145.10168	4.0
146.07271	1.7
147.04428	4.8
147.08049	11.9
147.11729	1.7
149.02318	2.0
151.53030	0.7
152.06212	1.8
153.06978	7.8
155.06038	3.4
159.07997	0.9
160.05180	1.7
161.05997	3.9
161.09628	37.4
163.76382	0.7
166.94650	0.8
171.08057	37.7
171.11583	1.3
189.09119	65.3
189.12627	3.7
189.16351	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.091
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
51.02385	0.6
51.44810	0.5
53.03951	1.6
55.01872	1.0
55.05513	2.2
57.03444	2.5
65.03959	1.8
67.05498	0.8
69.03427	0.8
71.00664	0.7
71.00980	0.7
71.05006	0.8
74.87626	0.6
77.03911	1.0
79.05498	6.6
81.07049	0.7
85.02919	0.9
91.05479	19.3
93.07045	1.4
95.04978	1.4
95.08630	1.3
103.05478	2.5
103.20325	0.6
105.03419	0.6
105.04505	0.8
105.07036	11.5
105.07693	0.8
107.04956	32.4
107.08592	1.0
111.49659	0.7
115.05467	3.5
117.07021	1.8
118.04176	4.1
119.04955	7.3
119.08585	5.0
120.05731	0.9
121.06526	1.5
126.83838	0.5
128.06219	5.5
129.06956	2.9
131.04930	1.8
131.08588	2.3
131.21112	0.5
131.91516	0.6
132.05728	0.8
133.06497	17.6
133.10138	2.6
135.04417	43.6
136.04797	0.6
141.06987	1.6
143.04916	1.0
143.08575	5.5
145.06516	0.9
145.10165	2.0
146.07324	1.3
147.04411	100.0
147.08096	1.6
147.11641	2.6
148.04840	1.0
156.09360	5.3
159.08073	1.9
159.11711	1.2
160.05197	11.5
160.70981	0.6
161.05980	11.0
161.09595	4.3
161.13260	0.9
171.08052	2.5
171.11673	6.8
174.06755	2.1
174.10394	0.7
180.76753	0.6
189.05464	2.6
189.09106	50.9
189.12691	8.5
189.16412	1.9
196.20100	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.1282
Annotation	Hyacinthacine A7
Peak:m/z	Relative Intensity
51.36081	0.2
53.03935	0.3
55.01869	0.8
55.05513	2.8
56.05037	0.4
56.96559	1.8
57.03431	2.2
57.07079	0.3
58.06597	1.0
60.04515	1.0
60.08152	0.3
61.02933	0.6
62.68551	0.3
65.03940	0.5
67.05508	12.8
68.05027	3.2
69.03429	1.2
69.07066	1.8
70.06593	3.0
70.61348	0.8
71.05003	2.6
72.04513	2.2
72.08150	1.0
73.02916	1.4
74.02457	1.9
79.05073	0.5
79.05499	6.3
80.05022	14.5
81.03426	1.5
81.07062	14.1
82.06583	4.8
82.99815	0.3
83.04971	1.2
83.07365	0.3
83.08643	1.2
84.04512	3.7
84.08130	2.0
85.02901	1.1
86.06085	0.6
91.05486	1.0
93.03378	0.4
93.07047	5.5
94.06571	0.6
95.04978	1.3
95.08566	0.3
96.08139	3.9
97.02901	0.9
97.06534	5.4
97.10165	0.8
98.06054	0.4
98.97578	2.8
99.04451	0.7
100.07620	0.6
101.00862	1.4
102.00977	0.5
103.00645	0.4
103.02371	0.3
106.06561	0.8
107.04965	1.4
107.08597	6.9
108.08121	2.2
109.06504	0.7
109.10161	33.8
110.01326	0.3
110.06070	0.5
110.09695	3.0
110.10427	0.5
110.97573	0.5
111.02940	0.5
111.04455	0.9
111.08067	1.1
113.06055	0.5
114.05532	0.2
116.98611	1.2
117.07018	0.9
119.01886	1.8
120.02021	0.6
122.09667	0.3
123.01961	0.3
123.07980	0.3
124.07595	100.0
124.11201	4.5
125.05983	0.9
125.07922	1.5
125.09625	2.1
126.09131	0.2
127.02436	0.3
128.02339	0.7
128.07097	0.4
128.10732	2.3
128.98618	0.5
130.08626	0.6
131.01895	0.6
132.02019	0.6
132.95837	0.3
133.03421	0.5
134.05957	0.4
134.09662	5.2
135.04340	0.3
135.08066	2.5
142.08641	20.8
143.01898	0.5
143.07048	1.0
145.03453	0.6
146.99631	0.3
152.07126	1.6
152.10716	12.1
153.05338	0.2
153.09035	1.3
153.11127	0.3
158.99591	0.3
161.02975	0.5
169.03502	0.2
170.08147	5.9
170.11763	13.1
170.99677	0.3
171.12169	0.4
173.02936	0.4
185.02948	0.4
188.04710	0.6
188.09206	11.9
188.12819	8.5
189.13179	0.3
203.04013	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.1284
Annotation	KAPA
Peak:m/z	Relative Intensity
50.21019	0.8
53.03955	1.0
55.01872	2.9
55.05512	6.0
56.05053	0.8
56.96563	1.1
57.03434	4.7
57.07055	0.9
58.06609	1.1
60.04520	3.6
65.03930	1.6
67.05510	35.0
69.07072	3.0
70.06609	6.3
70.72829	1.6
70.73206	1.6
71.05004	5.2
72.04523	4.5
73.05338	0.8
75.90527	0.8
79.05501	11.4
81.07065	9.9
82.06582	2.6
83.07379	1.8
83.08631	4.0
84.04512	8.8
91.05486	4.3
93.07051	14.1
95.04978	2.6
96.08138	1.7
97.06538	13.1
97.10172	2.0
97.47192	0.7
105.07071	1.3
107.08603	20.2
108.08137	5.5
109.06518	1.8
109.10166	100.0
110.09702	7.6
111.04418	0.9
111.08078	2.2
117.06991	1.8
122.09664	1.2
124.07587	1.8
124.11242	13.3
125.09648	6.0
128.10724	7.7
134.09668	13.2
135.08086	7.1
136.69327	0.7
141.87721	0.9
152.10725	36.8
153.09161	3.4
170.11784	37.4
171.12216	0.8
188.12842	24.5
192.40564	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0919
Annotation	N2-Acetyl-L-aminoadipate semialdehyde
Peak:m/z	Relative Intensity
53.03951	0.5
55.01890	0.7
55.05513	1.4
56.05054	0.3
56.96563	0.7
57.03440	1.7
58.06604	0.4
60.04533	0.7
61.02905	0.4
65.03961	0.4
67.05505	5.9
68.05024	2.8
69.03438	0.7
69.07056	1.0
70.06589	1.6
70.64139	0.8
71.04996	1.1
72.04519	1.2
73.02903	0.7
74.02448	2.0
79.05498	3.9
80.05020	14.2
80.57107	0.3
81.03416	1.3
81.07060	13.9
82.06585	4.9
83.04986	1.3
83.08623	0.6
84.04502	1.9
84.08135	0.6
85.02896	0.8
87.04455	0.4
91.05498	0.6
93.07044	3.0
95.04971	1.0
96.04526	0.5
96.08132	3.1
97.02866	0.4
97.06547	2.9
98.06051	0.5
98.97578	1.2
99.04465	0.9
100.07666	0.4
101.00873	1.0
105.07054	0.3
106.06580	0.7
107.04971	1.5
107.08606	3.6
108.08109	0.8
109.10158	17.5
110.09687	1.8
111.04417	0.4
111.08111	0.3
116.97324	0.3
119.01888	0.9
121.01702	0.4
121.39180	0.3
122.06023	0.3
124.07595	100.0
124.11160	2.3
125.05988	0.8
125.07941	1.1
125.09647	1.3
128.07040	0.7
128.10771	1.5
131.01909	0.5
133.03349	0.3
134.09683	2.3
135.04425	0.3
135.08073	1.6
139.03845	0.3
140.33180	0.3
142.08638	23.4
143.01894	0.4
143.07060	0.9
145.01732	0.3
147.03032	0.3
152.07147	1.3
152.10728	6.3
153.09138	0.8
170.08142	5.6
170.11771	6.9
174.03062	0.3
188.07483	0.6
188.09190	12.8
188.12793	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	188.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.4
56.96564	5.6
57.03422	0.7
57.56447	0.4
59.95531	0.3
61.02896	0.7
61.07138	0.4
65.03944	0.4
66.59853	0.3
67.05470	0.4
68.05027	2.8
70.98120	0.8
73.02914	0.4
74.02429	1.7
76.19833	0.3
79.05479	1.7
80.05021	13.6
81.03440	0.4
81.07057	11.5
82.06582	3.7
83.04961	0.5
83.39735	0.4
83.97633	0.4
84.04515	0.5
85.02873	0.5
86.09661	0.4
96.08135	2.9
98.97588	3.6
99.04463	0.5
101.00869	1.3
102.00995	0.9
103.00637	0.5
106.06589	0.4
107.04981	1.2
109.10149	1.2
110.97509	0.4
116.98612	0.8
119.01917	1.3
120.02012	1.6
121.01657	0.6
124.07594	100.0
125.06031	0.9
125.07929	0.8
128.07089	0.5
128.10709	0.4
135.09047	0.4
142.08641	22.6
143.07089	0.5
149.55779	0.8
152.07089	1.1
160.06433	0.4
170.08139	4.5
170.11795	0.4
171.01295	0.4
174.03188	0.4
188.04611	0.6
188.09180	10.5
188.12866	0.7
189.04448	0.5
197.58189	0.4
206.07137	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0707
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
70.76961	1.4
80.20130	0.5
83.93549	0.5
91.05481	4.2
103.05512	0.6
112.85783	0.4
115.05464	6.8
116.04919	0.7
117.05768	1.8
117.07029	4.0
118.06549	68.9
119.06867	0.6
120.69880	0.4
132.08109	0.9
142.06514	5.3
143.07321	11.6
144.04486	1.2
144.06909	0.5
144.08090	25.0
146.06018	100.0
147.06355	1.5
155.06024	1.1
160.07593	1.4
170.06017	9.4
188.07077	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	188.0707
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
56.96573	0.8
58.06612	0.5
59.09576	0.4
59.31988	0.3
67.05501	0.7
69.03411	0.5
69.17233	3.8
71.08678	0.4
79.05501	0.7
81.07065	0.6
84.04495	0.8
85.02889	0.6
91.05481	5.6
92.05801	0.5
95.04992	0.7
103.05461	1.0
105.03405	0.4
105.07038	1.1
105.94361	0.3
107.04983	2.3
107.08565	0.4
115.05453	7.1
117.05765	1.9
117.07005	5.2
118.06544	70.8
119.06890	0.8
119.08575	0.6
124.07614	0.6
128.04987	0.4
128.06210	0.8
132.04478	0.5
132.08026	0.7
132.08951	0.6
133.06505	0.6
133.10178	0.6
138.83986	0.5
142.06523	6.6
142.07538	0.6
142.08559	0.5
143.07317	11.9
143.08414	0.6
144.04520	0.8
144.08089	24.3
145.06419	0.6
145.10129	0.6
146.06010	100.0
146.10451	2.2
147.06361	1.6
155.06038	1.5
158.10570	0.4
160.07492	0.8
161.06078	0.4
161.09636	1.0
170.06013	10.0
171.08102	0.4
173.05875	0.3
188.07045	20.2
188.15193	2.9
188.20113	2.7
189.09103	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06225	0.4
55.55269	0.5
56.79932	0.4
70.94023	0.9
88.70845	0.4
91.05474	5.0
91.74728	0.4
94.34994	0.4
103.05457	0.5
115.05463	6.3
116.06300	0.5
117.05777	1.5
117.07014	4.2
118.06545	73.6
119.06859	0.8
132.08112	1.1
141.69609	0.4
142.06528	5.5
143.07315	12.7
144.04466	1.1
144.08093	25.0
145.06511	0.7
146.06013	100.0
147.06357	1.7
155.06120	1.1
160.07564	0.6
170.06020	8.6
188.07071	21.5
207.32590	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1483
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
53.03955	2.0
55.05521	2.6
56.05813	0.6
57.07081	3.4
67.05515	6.3
69.03434	3.0
69.07082	2.4
69.21227	6.5
71.01349	0.9
77.03894	0.7
79.05503	6.0
81.03431	3.5
81.07062	4.7
83.08629	1.1
85.02927	1.3
88.02241	4.2
91.05489	31.2
93.07068	5.1
95.04988	0.8
95.08619	2.3
99.04465	1.0
103.05490	1.9
105.07040	18.1
105.07700	1.3
107.04990	0.8
107.08619	2.2
109.02876	1.4
115.05447	8.9
116.06255	5.4
117.07030	44.9
119.08588	7.1
124.60780	0.8
127.03953	1.5
128.06160	3.3
129.07007	14.6
130.07811	12.3
130.58354	0.7
131.08580	86.5
132.08891	0.9
133.10129	2.6
141.07019	4.3
143.08568	10.8
144.05807	0.7
144.09351	8.8
145.06493	2.6
145.10135	100.0
145.52408	0.6
146.10503	1.4
154.07825	1.2
157.10123	2.9
158.10939	3.7
159.06953	1.1
159.08089	2.5
159.11705	15.8
169.10149	4.0
172.08784	1.1
172.12480	2.2
173.00868	1.7
186.08243	0.7
187.03899	1.9
187.07460	3.7
187.11244	18.3
187.14838	99.4
187.22476	3.0
188.15199	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.09
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87988	0.1
53.00311	0.2
53.25948	0.1
57.07037	0.1
59.99114	100.0
61.31684	0.2
69.10379	0.1
69.56065	0.8
74.70618	0.1
81.07079	0.1
88.02189	0.7
91.05501	0.3
93.07072	0.1
102.03772	30.5
105.07012	0.4
105.94331	0.1
117.07007	0.3
119.08602	0.2
129.06995	0.2
130.07755	0.2
131.08559	0.6
143.08496	0.2
144.80762	0.2
145.10136	1.3
159.06972	0.2
159.08167	0.2
159.11664	0.5
176.21741	0.1
187.07613	0.2
187.11183	0.5
187.14836	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1079
Annotation	L-Alanyl-L-proline
Peak:m/z	Relative Intensity
55.01636	0.7
55.01876	7.8
55.05516	6.6
56.05035	0.8
56.96555	1.4
64.27641	0.5
67.05490	1.6
69.03430	1.2
69.07039	0.6
70.06577	2.0
70.11629	1.8
71.04986	0.6
71.06906	0.5
72.08170	3.6
79.05506	2.3
81.03415	1.8
81.07059	26.1
83.08620	13.5
84.04510	1.7
84.08134	2.5
85.02911	1.0
85.06563	4.2
88.02206	1.7
89.78359	0.5
91.05439	0.9
96.08124	0.6
97.02879	0.6
98.09696	23.7
98.21492	0.6
98.58932	0.5
108.08145	3.7
109.06530	3.8
118.06501	1.0
119.01923	0.6
124.07600	1.5
126.09160	37.2
127.03879	0.5
127.07540	0.7
131.08611	1.0
141.07001	0.5
141.90240	0.4
143.03801	0.6
144.05705	6.2
144.08138	0.5
145.06447	0.5
146.05974	2.3
151.08691	8.3
152.07077	0.8
159.04517	0.6
159.08099	1.2
161.04866	0.7
169.09732	100.0
170.10141	0.9
170.11684	0.8
172.05200	4.8
173.00838	0.6
181.02983	0.5
187.04051	0.7
187.05933	1.0
187.07550	13.5
187.10808	8.9
205.03876	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0755
Annotation	4,4'-Dihydroxybiphenyl
Peak:m/z	Relative Intensity
55.22543	0.2
60.17834	0.3
61.25631	0.2
66.91539	0.3
69.03430	0.4
70.53086	0.6
81.03455	0.6
84.50047	0.3
88.02219	0.3
88.76630	0.4
91.05486	1.7
103.05467	0.5
105.07031	0.6
114.25414	0.3
115.05432	2.2
116.06254	1.6
117.06990	0.8
119.08585	0.5
127.05517	0.3
128.06255	0.7
129.07028	1.2
130.07849	0.4
131.04947	0.4
131.08577	4.5
133.10081	0.4
141.07010	1.4
143.08583	0.8
144.05705	45.9
145.06168	0.9
145.10118	2.7
155.04866	0.5
155.06046	0.3
156.05634	0.7
159.08073	4.0
159.11641	1.7
164.27237	0.2
164.76442	0.2
172.05194	52.6
173.05571	1.3
187.07547	100.0
187.14813	3.4
188.07893	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0755
Annotation	4,4'-Dihydroxybiphenyl
Peak:m/z	Relative Intensity
52.31343	0.3
52.77919	0.3
53.03942	0.4
55.01875	0.6
58.35026	0.2
60.57370	0.3
67.05502	0.4
69.03441	0.8
69.07082	0.4
70.06598	2.2
70.34037	0.6
71.06927	1.0
72.33400	0.3
79.05505	0.3
81.03424	0.9
81.07060	0.9
83.05021	0.4
83.08633	0.4
85.02909	0.4
86.09691	0.5
88.02219	1.5
91.05473	4.6
93.07020	0.3
103.05482	0.9
103.08152	0.3
103.24892	0.3
105.07075	0.4
115.05462	2.7
116.06273	1.6
117.07023	6.7
127.03958	0.5
128.06235	0.6
129.07031	1.7
131.04921	0.8
131.08557	4.0
141.06979	1.9
143.01917	0.3
144.05704	43.2
145.06496	3.2
145.10132	0.7
146.03162	0.6
155.04939	0.6
155.06033	0.4
157.06500	0.6
159.08063	21.7
169.06419	0.5
169.07690	0.4
172.05196	36.2
173.00789	0.6
173.05568	0.5
183.93959	0.3
187.07541	100.0
188.07951	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0754
Annotation	4,4'-Dihydroxybiphenyl
Peak:m/z	Relative Intensity
55.05516	0.4
64.29057	0.2
67.05526	0.5
69.03436	0.7
70.63798	0.9
79.05495	0.4
81.03425	0.8
81.07060	0.9
85.06532	0.4
88.02242	0.7
89.03918	0.4
91.05483	2.4
101.50155	0.3
103.05460	0.9
105.07052	1.2
106.92814	0.3
107.08617	0.3
109.10159	1.0
114.50687	0.3
115.05443	2.5
116.06226	2.3
117.07089	1.3
118.03728	0.3
118.06532	0.4
119.08583	0.6
121.00849	0.3
128.06221	1.3
129.07001	2.1
130.07741	0.3
131.04932	1.6
131.08572	3.2
133.10167	0.7
141.07010	2.6
143.04872	0.3
143.07384	0.3
143.08566	0.4
144.05711	48.9
144.09366	0.7
145.06429	1.5
145.10136	3.1
146.03204	1.0
146.06015	1.0
151.11238	0.4
155.04901	1.5
155.06119	0.7
156.05698	0.5
157.06482	0.4
157.10132	0.5
158.07283	0.6
159.04382	0.8
159.06914	0.3
159.08070	6.5
159.11676	1.8
169.06450	0.7
169.10040	0.4
172.05202	47.1
173.05585	0.5
187.04123	2.4
187.07553	100.0
187.14807	2.2
188.07982	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0755
Annotation	4,4'-Dihydroxybiphenyl
Peak:m/z	Relative Intensity
55.05530	0.4
57.64539	0.2
57.92487	0.3
67.05512	0.5
69.03432	0.9
69.63443	0.2
70.06566	0.3
71.48454	0.4
72.08144	0.3
79.05486	0.3
80.30017	0.2
81.03406	1.1
83.04934	0.2
83.08621	0.3
84.04514	0.3
85.02923	0.4
85.06528	0.3
88.02225	1.6
91.05477	1.7
95.04959	0.3
95.08593	0.4
98.98470	0.9
103.05477	0.8
104.04042	0.3
105.07064	0.4
109.02903	0.4
111.04363	0.3
114.05511	0.4
115.05431	2.1
115.52797	0.2
116.06234	1.1
117.07018	0.5
118.03730	0.3
118.06582	0.3
127.03933	0.3
127.05428	0.3
128.06198	0.8
129.07034	1.6
131.04909	0.9
131.08588	1.9
141.07016	1.1
142.08687	0.3
143.08589	0.3
144.05705	44.3
145.02844	0.3
145.06133	1.0
145.10103	1.4
146.03191	0.4
146.05986	0.6
155.04907	1.1
155.06041	0.4
158.07210	0.4
159.04414	0.7
159.06917	0.6
159.08083	4.6
159.11702	1.0
169.06471	0.4
172.05193	36.0
173.00865	0.5
173.05539	0.7
187.07541	100.0
187.14828	1.2
188.07927	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.0
53.37746	0.7
55.01865	1.3
55.05523	1.2
55.93527	1.1
56.96568	13.2
57.03443	2.6
58.06614	1.1
58.99879	1.4
60.38030	0.7
61.02913	0.6
65.03963	0.8
67.05515	1.5
67.10168	0.6
67.39573	0.6
69.03429	5.9
69.44347	0.7
69.44655	5.4
70.06590	1.8
70.95882	0.7
70.98128	3.9
70.99873	1.6
71.04990	0.7
71.95306	0.7
72.08139	1.6
72.93813	0.9
73.02917	2.2
73.40583	0.6
77.00891	1.3
79.05501	2.4
80.13180	0.7
81.03414	1.5
81.07029	0.9
82.06590	0.9
82.99852	5.3
83.04991	2.2
84.04518	0.9
84.08160	2.8
84.96030	1.7
85.01414	1.1
85.02905	4.9
87.04461	3.8
88.02203	1.1
88.99171	1.0
90.94853	0.8
95.04961	1.3
97.01389	0.8
97.02898	3.1
98.97587	16.4
99.01166	1.2
99.04465	1.7
101.00889	50.2
101.02635	1.5
102.00948	1.4
102.02406	1.3
103.00648	11.3
103.02470	1.5
107.04951	1.5
109.02840	1.0
109.10166	0.8
110.97564	1.6
112.99172	0.9
113.00872	2.5
115.00674	2.2
115.02434	3.5
116.98612	7.0
117.02201	1.9
117.04007	1.3
119.01929	100.0
120.01995	4.0
121.00874	1.4
121.01674	18.4
121.02454	1.6
121.81674	0.7
122.01974	4.2
124.07585	3.9
127.00703	0.9
127.02440	3.0
128.98633	1.5
131.01920	4.0
132.95844	1.6
133.01668	2.9
133.03465	3.7
134.99641	1.8
135.03246	1.7
136.06184	3.0
137.02968	17.8
137.04681	0.8
139.00815	0.9
139.02664	2.5
140.98573	1.2
141.02121	1.2
142.03574	0.8
142.08662	1.6
143.01917	2.1
144.95815	1.8
144.98112	1.5
145.01625	3.1
145.03470	12.1
146.99666	1.4
147.03159	1.1
151.04521	0.9
152.01581	0.9
155.01877	1.0
155.11800	1.3
157.01622	1.4
157.03474	1.8
158.99626	1.2
159.03175	8.8
161.01163	0.8
161.02985	3.0
161.04716	1.2
162.99098	1.4
163.02687	9.5
163.04565	4.0
165.00749	0.9
169.01970	1.0
169.03459	6.3
169.04797	1.5
170.11800	1.6
173.02974	1.1
175.02814	1.1
175.04523	0.7
177.04314	2.2
181.03737	1.9
182.04134	0.8
185.02951	1.0
186.96867	1.0
186.99023	1.1
187.00957	1.2
187.02751	7.3
187.04520	49.5
187.06071	1.7
187.14447	1.9
188.04680	1.2
203.03909	0.8
205.00134	1.2
205.02072	0.7
205.03790	2.9
205.05592	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	186.149
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00920	0.3
50.35277	0.3
53.29582	0.3
55.01878	0.4
55.05515	0.5
56.96571	0.7
57.03434	0.8
57.07079	0.9
57.72562	0.3
59.05008	0.5
59.93773	0.3
60.04527	1.8
60.98746	0.4
65.03936	0.3
65.51817	0.2
67.05506	2.9
68.02859	0.3
68.05024	0.5
69.03439	1.1
69.07077	1.0
69.66210	1.7
70.02956	0.3
70.06595	100.0
70.50368	0.3
71.04979	0.6
71.06925	0.7
72.04539	0.3
72.08157	0.7
72.93800	0.3
79.05513	0.3
80.05020	0.3
81.03432	0.9
81.07055	1.1
81.27238	0.3
82.06581	0.3
83.04977	0.3
84.04521	1.0
84.08147	0.8
85.02913	3.8
86.06078	1.1
86.09713	0.7
88.02230	0.4
89.03916	2.1
91.05462	0.7
93.07005	0.3
95.04964	4.1
98.06081	0.5
98.07196	0.5
98.20728	0.3
98.97568	0.5
102.99795	0.3
103.05460	0.3
112.07617	2.3
114.05534	4.2
117.03386	2.8
121.00803	3.0
121.01616	0.4
122.06045	0.5
123.11742	0.8
126.05543	3.1
126.06669	3.0
126.09170	0.4
127.06172	0.3
127.07578	1.1
128.06265	0.3
129.07068	0.4
130.05038	0.4
130.08698	0.3
131.04979	0.4
131.08646	0.4
131.97411	0.3
138.05548	0.6
139.01799	2.5
140.07120	0.8
140.11559	0.4
140.14316	1.4
141.07051	0.4
144.05736	2.1
144.06688	0.3
144.07664	5.6
144.10239	0.8
145.02846	3.9
154.08638	1.3
158.05989	1.6
158.99617	0.3
159.08134	0.9
162.15477	0.3
163.01834	5.7
168.13841	2.6
169.07254	2.1
172.05222	2.1
181.02893	6.9
186.03354	0.6
186.05569	1.7
186.07790	2.1
186.09799	1.4
186.11287	2.8
186.14893	2.0
186.18611	0.8
187.03954	0.4
187.07536	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	185.1173
Annotation	trans-(-)-2-Acetyl-1-isopropylcyclopropaneacetic acid
Peak:m/z	Relative Intensity
51.57052	0.6
51.72295	0.6
53.03951	2.0
53.72464	0.6
55.01872	2.0
55.05513	8.7
57.03432	1.5
57.07075	1.0
59.05007	1.1
66.04421	0.6
67.05196	0.7
67.05507	18.8
69.03446	1.0
69.07071	100.0
69.77646	1.7
69.78055	2.3
70.07430	0.8
71.04994	29.9
72.05782	0.6
73.06564	14.5
74.53708	0.6
79.05498	26.6
81.03439	2.8
81.07059	50.3
83.04996	4.0
84.07050	0.8
85.02897	0.9
85.06545	2.7
87.04472	9.1
91.05489	2.6
92.95251	0.7
93.07049	18.0
95.04972	0.9
95.08613	15.9
97.06532	24.3
97.10162	1.0
99.08132	3.3
101.06020	1.7
105.04526	0.8
105.07064	2.0
107.05017	0.6
107.08609	4.2
111.08115	1.4
114.01096	0.8
115.07576	3.8
121.06539	1.2
121.10147	17.7
123.08070	25.5
123.11752	3.3
123.76186	0.7
125.05981	8.7
125.09679	0.7
126.01076	7.8
128.02654	2.6
128.06279	1.5
129.07039	1.9
131.08609	2.1
137.05997	0.8
139.07544	0.8
139.11186	32.1
140.10692	1.7
142.07825	1.2
143.07045	14.5
143.08597	1.4
149.09650	2.8
151.77098	0.7
157.06570	1.5
157.10155	1.7
159.41548	0.7
167.03773	2.6
167.10695	15.9
167.12108	0.8
170.10910	1.1
185.04704	7.7
185.09702	1.8
185.11772	16.9
185.13304	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0324
Annotation	Unknow
Peak:m/z	Relative Intensity
70.11297	36.6
72.83149	8.1
77.98119	7.1
97.02864	9.9
101.00894	18.4
119.01896	19.5
120.47163	8.0
131.01933	24.8
135.82364	9.3
143.01865	8.8
145.03453	12.7
155.01941	14.2
157.03413	16.1
161.02988	19.6
173.02983	11.3
175.57278	8.3
185.02989	10.9
185.04269	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
55.01881	0.5
55.05518	1.6
56.96568	1.1
57.03432	0.6
58.02966	2.9
60.04529	16.9
67.05502	1.9
67.97389	0.4
68.05022	0.4
69.03432	0.7
69.07070	100.0
70.06602	1.8
70.07404	1.3
71.05006	0.4
71.08630	2.9
71.47916	0.6
71.95262	0.5
72.08155	2.0
72.93797	0.8
73.02911	0.8
79.05494	1.4
80.06281	0.4
81.03439	0.6
81.07048	1.0
82.06600	0.5
83.04987	0.5
83.08630	0.8
84.04515	0.6
85.02927	0.8
86.02432	15.0
86.06068	0.7
86.09716	1.9
91.05496	3.2
92.05809	0.5
93.07047	1.1
95.08590	0.9
96.04496	1.9
96.08119	0.7
97.02870	0.8
97.06533	5.4
98.97566	0.4
98.98457	0.7
100.07634	1.0
101.00873	1.0
101.95030	6.6
105.03397	0.7
105.07059	0.6
106.03733	0.8
107.04975	0.5
107.08580	0.4
110.06060	0.5
110.09692	1.3
110.76821	0.4
113.96404	1.7
119.01929	2.6
119.04946	1.6
119.96071	3.4
121.06510	0.7
121.64463	0.4
124.07578	1.0
125.00006	0.9
125.07948	1.4
125.09597	0.7
128.06230	0.7
129.06996	1.3
131.97528	0.4
136.05255	0.7
136.06190	1.2
137.02943	0.9
137.05984	2.0
137.97110	1.4
138.05392	0.4
138.09151	6.7
138.10110	0.7
139.11186	0.6
142.03493	0.4
142.94244	0.9
148.03851	0.4
149.43622	0.4
156.08179	0.9
156.10188	4.8
157.10194	0.5
160.95264	1.0
166.04924	0.7
166.08626	1.5
172.56323	0.7
173.06403	0.6
175.07652	0.6
181.56815	0.7
184.07323	2.5
184.09705	24.7
184.13147	0.8
185.09898	0.7
195.88942	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0971
Annotation	chaetoglocin D
Peak:m/z	Relative Intensity
55.01876	0.5
55.05518	1.4
56.94301	0.4
56.96571	1.0
57.03439	0.4
58.02970	2.4
59.05009	0.5
60.04226	0.8
60.04532	16.4
66.99085	0.3
67.05515	1.8
69.03433	0.9
69.07075	100.0
70.06599	1.5
70.07419	0.9
70.66718	0.7
71.08636	2.6
72.08156	1.7
72.93794	1.1
73.02919	0.4
79.05504	1.7
81.03432	0.4
81.07084	0.9
82.06590	0.8
83.04972	0.4
83.08631	0.7
84.04539	0.6
85.02905	0.9
86.02438	16.1
86.06073	0.8
86.09719	1.6
90.24520	0.3
90.94841	0.7
91.05488	3.0
93.07057	0.8
95.05002	1.1
95.08620	1.0
96.04514	1.3
96.05317	0.7
97.02911	0.9
97.06548	5.3
98.97606	0.5
98.98470	1.0
100.07650	1.4
101.00895	1.0
101.06031	0.4
101.95049	7.2
105.03403	0.5
106.03752	0.7
107.04952	0.4
107.08629	0.4
108.05757	0.4
110.06033	0.7
110.09720	1.7
112.03996	0.4
113.96415	1.4
119.01934	3.0
119.04980	0.8
119.96096	3.2
121.06512	0.7
123.04424	0.4
124.04774	0.6
124.07600	0.6
125.00014	0.9
125.07953	1.0
125.09564	0.4
128.06256	0.7
129.06979	0.3
131.97430	0.7
136.05254	0.5
136.06216	0.9
137.02969	0.6
137.06007	1.7
137.97145	1.2
138.06389	0.6
138.09149	7.5
139.07561	0.4
142.03519	0.5
142.07755	0.4
142.94257	0.6
144.12924	0.3
145.06526	0.5
147.04449	0.6
148.04826	0.5
156.08086	0.7
156.10191	4.7
160.95351	1.3
161.06004	0.5
166.08662	1.3
167.09096	0.6
171.25087	0.4
172.56369	1.6
178.96422	0.8
181.56882	0.4
183.97011	0.6
184.07506	2.2
184.09714	25.8
185.06020	0.5
185.09859	0.5
195.34926	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0731
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
56.05030	1.3
58.06614	1.0
60.08165	18.2
70.06591	0.5
70.50141	0.5
71.07374	10.7
71.95265	0.9
82.66086	0.3
86.09708	100.0
87.10028	0.7
98.98469	17.5
101.95032	12.2
104.10746	5.0
119.96072	4.7
125.00006	80.5
126.00396	0.3
137.97131	1.7
142.97621	0.6
143.01093	0.5
160.98740	0.9
166.02658	0.5
170.61351	0.3
184.07344	89.9
185.07695	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
69.59696	2.3
82.99844	8.5
87.56963	0.6
95.54884	0.5
97.05040	0.5
98.21491	0.9
101.00884	61.4
104.54219	0.5
109.83437	0.5
110.87843	0.5
111.00484	0.7
119.01922	100.0
120.02050	1.2
121.38407	0.5
124.02460	4.7
137.02957	12.7
142.03496	22.9
143.01915	0.8
143.03650	1.0
154.10757	0.5
160.04536	2.6
161.02963	11.0
179.04008	9.4
182.88937	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0503
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58651	2.2
53.03944	10.4
55.01876	23.6
56.96569	7.1
57.03440	51.7
58.99863	5.3
60.02135	3.0
61.02935	37.2
67.05503	5.1
68.52654	2.4
68.98283	3.2
69.03433	75.5
69.84812	4.8
69.85181	12.5
71.01349	4.6
71.05001	12.3
73.02924	100.0
76.26467	2.5
79.02183	5.1
79.05502	3.2
81.03425	25.8
81.07062	3.5
82.32109	2.7
82.99846	9.7
83.04989	9.1
85.02914	80.3
86.09711	6.8
87.01885	6.0
87.04483	11.7
88.02687	8.6
88.04790	3.3
89.00889	5.7
93.01897	16.0
94.02691	8.6
95.04972	10.2
96.02448	5.2
96.04494	5.9
97.01422	6.1
97.02898	64.1
97.04843	4.4
98.97596	3.1
98.98461	10.2
99.01904	9.8
99.04455	16.6
100.02679	15.1
101.00899	68.7
101.01568	3.1
101.02419	6.7
101.03450	2.8
102.00971	10.6
102.02409	23.8
102.52474	2.8
103.02470	4.1
103.03929	2.9
105.00388	3.8
105.03410	14.2
106.02678	5.0
108.02406	12.7
109.02866	11.9
111.00604	2.7
111.02940	31.7
111.53067	3.7
113.00877	31.5
114.02439	12.7
114.52545	3.0
115.02439	14.2
115.03197	5.7
115.03943	2.8
117.02908	9.6
119.01934	87.0
120.02105	8.4
120.03434	4.7
121.01710	2.5
121.03165	3.5
123.02916	21.5
123.04430	10.9
124.04736	3.9
124.99998	8.3
125.00814	3.2
126.03420	3.7
127.01591	4.3
127.02418	12.4
127.03939	17.6
128.02316	4.3
129.02931	11.3
129.03799	2.4
129.53012	4.0
130.03699	4.2
131.01923	70.7
131.02864	5.2
132.02017	8.3
132.03465	8.8
133.03493	10.0
135.02928	8.4
137.02925	7.4
137.06026	3.9
137.07915	8.3
138.03426	21.9
138.53630	6.1
138.57137	2.5
139.02400	7.9
141.03920	2.9
142.03558	6.2
143.01910	85.7
144.02046	9.2
144.03448	6.7
145.03468	38.0
145.04620	3.4
145.05045	2.6
146.03651	3.1
147.01433	7.1
147.04007	3.7
149.02992	9.5
153.02675	2.4
153.04001	8.1
155.01907	67.6
155.07018	3.0
156.02087	10.2
157.03474	29.6
158.03661	4.2
159.01447	3.0
161.02972	79.7
162.03093	9.1
163.04639	5.6
165.05460	4.3
167.01926	22.5
168.02100	3.5
169.03458	7.8
171.01416	3.6
171.05183	3.9
173.02975	90.0
174.03107	13.1
175.04541	4.0
183.04991	3.6
183.06476	2.9
183.08032	4.5
183.09691	2.8
184.07381	7.7
185.02963	54.8
186.03128	10.5
187.04550	7.0
191.03935	5.5
197.02989	7.0
201.04308	2.7
203.04015	28.6
203.05760	3.2
204.04214	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	182.1905
Annotation	Dicyclohexylamine
Peak:m/z	Relative Intensity
53.03948	0.5
55.05513	20.7
57.03428	0.4
61.01805	0.4
67.05495	0.9
69.03431	0.5
69.26190	1.8
69.26618	1.8
77.35424	0.4
78.85190	0.4
79.05491	0.8
81.07043	1.0
83.05003	0.7
83.08621	30.9
84.08955	0.5
91.05478	0.8
93.07024	0.6
94.07345	0.4
95.04955	0.7
95.08610	0.6
95.71966	0.4
98.09718	0.4
98.97577	0.9
98.98466	0.8
99.04495	0.4
99.97878	0.5
100.11263	26.1
103.68398	0.5
105.03387	0.9
107.08573	0.7
108.08152	0.8
108.08873	0.6
109.10103	0.5
111.04446	0.4
116.98679	0.7
118.03725	0.4
122.10433	0.6
123.04457	0.6
136.04732	0.8
136.07570	1.4
136.08472	0.6
154.12265	0.5
164.04289	1.0
164.07048	1.1
165.05486	0.5
182.04539	0.8
182.08223	1.0
182.19052	100.0
183.11667	0.6
183.19359	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.1541
Annotation	(+)-Myrioxazine B
Peak:m/z	Relative Intensity
55.01865	1.2
55.05516	9.5
57.03422	1.3
57.07074	3.7
58.02964	34.1
58.28754	0.7
62.99059	1.5
64.85374	0.7
66.95864	0.6
67.05508	20.8
69.03417	0.8
69.07071	60.6
69.14476	3.8
69.14907	3.2
70.06585	3.0
72.08144	0.7
73.74370	0.7
74.06052	1.4
79.05489	7.4
81.06597	1.2
81.07064	20.2
83.04993	1.7
83.08626	8.8
84.08148	9.2
86.06059	1.3
88.64433	0.6
90.84984	0.7
91.05493	4.3
93.06575	0.9
93.07064	9.8
94.06569	7.4
95.04959	2.6
95.08620	7.3
97.06526	4.4
98.06051	2.3
98.09702	3.3
98.21515	1.5
98.97572	1.9
100.07623	6.9
105.07036	14.7
107.08601	18.1
108.08108	0.9
109.06500	1.8
109.10163	48.3
111.99392	0.7
112.07587	2.5
114.09179	13.0
116.98679	0.8
117.46658	0.6
119.08577	1.3
120.04449	0.7
120.05999	0.8
121.10134	2.4
123.11700	6.7
124.11164	0.9
126.09155	11.5
126.12750	1.6
128.10744	0.9
133.10139	29.6
135.11690	19.6
136.11179	0.8
137.13240	0.7
138.12782	24.0
140.10693	1.9
140.14354	1.2
144.42484	0.6
147.11684	5.0
151.11191	11.4
153.12755	13.5
154.15877	1.6
164.11513	1.1
164.14369	2.9
165.12761	3.1
182.15414	100.0
183.15761	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	182.0813
Annotation	3-Hydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
53.03937	2.9
55.05511	5.2
56.05053	0.9
56.96560	1.2
58.02944	2.4
62.06106	4.6
63.06408	1.3
65.03941	4.7
67.05503	23.2
67.73942	0.8
68.05008	1.3
69.07066	5.5
70.02951	2.0
71.48308	1.0
79.05491	33.6
80.05012	3.3
81.07054	43.3
82.02927	2.0
82.06586	1.5
83.04982	1.6
83.08597	1.7
84.08128	3.0
86.02435	6.4
86.06056	1.0
88.03548	0.9
91.05488	7.1
92.04984	1.9
93.05791	7.8
94.06543	3.1
95.04974	6.6
96.04483	3.1
96.08137	1.9
96.38647	0.8
97.05257	2.0
97.06528	9.9
98.06046	3.3
98.09715	3.9
98.97594	2.2
105.03403	2.0
106.06554	1.7
107.07338	5.1
108.04472	2.4
108.08117	69.9
109.06529	9.5
109.08453	1.1
110.06036	5.3
116.98653	1.1
118.03663	1.5
118.06519	2.6
118.23463	0.9
120.04446	1.5
121.05209	2.9
122.06005	2.0
123.04417	1.3
124.05177	1.5
124.07558	1.9
125.05989	32.4
126.05515	32.1
126.06260	0.6
126.09150	23.0
136.04715	2.6
136.07574	100.0
137.05992	1.7
138.05495	3.3
140.07027	1.0
140.95139	1.5
141.01817	0.8
146.03140	2.0
152.07066	1.2
153.05443	1.6
153.07838	3.5
154.07376	1.4
154.08626	27.4
158.97380	0.9
164.04269	6.5
164.07063	90.4
165.01859	1.6
177.04320	0.9
182.00859	1.2
182.04466	3.2
182.08127	92.3
182.15331	1.6
182.18982	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0814
Annotation	gamma-Hydroxy-3-pyridinebutanoate
Peak:m/z	Relative Intensity
53.03933	0.8
53.86612	0.3
54.65319	0.3
55.05507	0.4
56.96547	0.3
65.03929	0.6
67.05501	1.6
68.05021	0.3
68.21857	0.2
71.48855	0.3
79.05493	2.9
80.05025	1.5
81.07059	12.3
82.04181	0.3
91.05486	3.3
92.04965	0.3
93.05793	4.7
93.07042	0.4
94.06567	0.7
94.07349	0.3
95.04961	0.3
96.04458	0.3
98.97561	0.4
105.03414	0.3
106.06509	0.4
107.07331	0.3
108.08122	4.3
109.06523	2.2
110.06049	0.5
116.98647	0.6
117.05762	0.3
118.06528	0.9
121.05301	0.3
122.10468	0.4
123.06826	0.5
136.07588	7.7
146.05933	0.3
164.07071	100.0
165.07436	1.0
180.06593	1.2
182.01027	0.3
182.08144	8.6
182.15381	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0812
Annotation	3-Hydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
53.03936	4.1
54.03465	1.1
55.05492	5.2
56.05033	1.1
58.02954	2.4
65.03923	4.1
67.05179	1.8
67.05505	21.5
68.05006	2.0
69.07079	6.4
69.83591	4.9
79.05492	34.9
80.05006	1.8
81.06604	2.6
81.07059	43.9
83.08604	2.2
84.08167	1.3
85.34901	1.2
86.02422	4.6
91.05491	6.0
92.05025	1.7
93.05787	6.7
93.07037	1.8
93.80205	1.1
94.06535	2.3
95.04955	3.9
96.04509	2.5
97.05258	2.7
97.06519	9.0
98.06048	3.9
98.09679	4.6
105.03417	1.4
105.73222	1.2
106.06593	2.1
107.07336	6.0
108.04467	1.3
108.08117	65.8
109.06510	6.9
110.06056	5.7
118.06561	3.1
119.04933	2.0
120.04446	2.0
121.05257	4.2
123.04434	1.8
124.05235	1.4
125.05993	32.2
126.05522	40.1
126.06313	1.4
126.09157	20.3
134.05975	2.5
136.07581	100.0
137.06007	2.3
138.05466	3.0
141.05524	1.7
147.37454	1.4
153.05511	1.6
153.07843	3.2
154.08636	32.5
160.72479	1.0
164.07068	87.5
165.07399	1.9
182.01028	1.5
182.08139	91.8
183.08325	1.5
184.75305	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0813
Annotation	3-Hydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
53.03930	4.5
53.43676	1.3
55.01855	1.4
55.05497	5.1
57.40535	1.3
58.02961	3.0
59.44757	1.3
62.06077	5.2
63.06425	1.5
65.03935	3.7
67.05511	24.9
69.07059	5.0
69.50974	8.9
70.02948	2.0
79.05497	34.4
80.05007	3.6
81.06597	2.6
81.07061	41.1
82.06562	1.5
82.07718	1.4
82.52970	1.4
83.08612	3.0
84.08158	3.0
86.02437	3.5
88.19479	1.3
91.05473	5.4
92.04974	1.9
93.05783	7.2
94.06573	2.4
95.04957	6.3
96.04494	2.0
97.05288	1.6
97.06543	8.4
98.06056	2.9
98.09686	4.6
98.20770	2.7
98.97571	1.3
106.06594	1.6
107.07351	4.5
108.04485	2.6
108.08126	67.3
109.06527	9.0
110.06047	5.0
118.06547	4.1
120.04479	1.7
121.05276	3.4
122.06015	1.7
123.08112	1.6
125.06006	34.8
126.05533	35.3
126.09151	21.4
134.05994	2.0
136.07585	100.0
138.05492	3.2
153.05522	1.6
153.07889	3.2
154.08633	29.0
164.07080	91.8
182.08138	97.8
186.58572	1.4
190.97356	1.2
197.63194	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0813
Annotation	gamma-Hydroxy-3-pyridinebutanoate
Peak:m/z	Relative Intensity
51.52271	0.2
53.03898	0.7
55.05471	0.5
56.96520	0.3
65.03886	0.9
66.19321	0.2
67.05445	1.0
67.05746	0.2
68.05001	0.3
68.62082	0.2
79.05502	3.4
79.05926	0.5
80.04960	0.9
81.03403	0.3
81.07059	11.8
90.04243	0.3
91.05486	4.1
92.04974	0.3
93.05786	5.4
93.07051	0.6
94.06517	1.0
95.58623	0.2
98.97543	1.0
98.98464	0.4
100.11197	0.3
105.03362	0.4
107.07308	0.5
108.08132	4.9
108.08844	0.3
109.06528	2.7
110.06002	0.8
116.04930	0.3
116.98622	0.5
117.05700	0.3
117.98974	0.4
118.03717	0.3
118.06493	0.8
121.05217	0.6
121.10081	0.3
122.05997	0.4
122.10461	0.9
123.06750	0.5
123.08112	0.3
124.07495	0.3
134.05896	0.3
136.04779	1.2
136.07581	7.1
146.03195	0.4
156.91396	0.2
162.05583	0.4
164.04298	2.6
164.07071	100.0
165.07413	1.2
166.98643	0.4
167.08540	0.6
180.06589	0.7
182.00955	0.3
182.04581	0.6
182.08160	8.1
182.10588	0.3
182.19003	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	181.1224
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
50.66056	0.8
53.03941	3.5
55.01875	4.5
55.05513	8.3
56.96566	1.8
57.07064	1.4
67.05506	18.5
69.03391	1.5
69.07063	4.5
69.33503	6.2
69.33924	3.8
71.04999	17.7
79.05496	40.4
81.07062	45.6
81.23824	1.3
83.04974	7.0
85.06543	2.8
87.04464	1.6
91.05494	11.9
93.07050	60.5
95.04977	4.2
95.08613	6.9
97.06541	15.0
98.97585	30.0
105.07046	8.2
107.04979	1.5
107.08599	23.2
109.06561	2.3
109.10131	2.1
111.04454	4.4
111.08102	1.6
116.98634	13.3
117.07019	5.0
119.08585	13.6
121.06539	6.2
121.10153	100.0
122.10429	1.4
125.05961	5.4
130.07816	1.4
133.10150	2.8
134.99673	2.4
135.08057	3.4
135.11696	28.2
136.07541	1.3
137.09621	6.8
139.07588	1.2
139.11165	1.1
145.10126	24.8
163.11192	27.8
166.07796	1.3
181.05006	1.2
181.10159	1.2
181.10696	1.9
181.12250	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	181.1224
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
52.25758	1.2
53.03941	4.4
55.01878	32.2
55.05515	23.2
56.96550	2.4
57.03440	2.9
65.03952	1.8
67.05511	40.5
69.07073	9.6
69.83112	2.5
69.83510	2.9
71.05017	6.4
71.05326	1.1
75.22147	1.0
77.03935	1.9
79.05499	38.4
80.13480	1.1
81.03417	3.2
81.07056	35.7
83.04987	72.6
83.08627	12.9
85.02892	3.4
85.06561	8.4
91.05481	20.7
93.07050	59.4
95.04974	16.2
95.08608	6.7
97.06540	16.5
98.20841	1.9
98.97588	30.5
99.04465	1.9
99.08109	7.2
104.54494	1.0
105.07053	7.2
107.04971	8.9
107.08604	19.4
109.06525	5.2
109.10140	5.6
111.04444	5.7
111.08091	100.0
113.06107	1.2
116.98626	11.5
117.07015	8.8
119.08593	13.2
121.06507	4.7
121.10157	31.5
125.06005	4.3
129.05521	1.4
130.07806	2.0
134.99681	2.4
135.08032	3.7
135.11708	20.1
137.09621	3.1
139.03889	1.6
139.07506	1.4
140.00160	1.6
145.10126	18.0
153.12764	10.8
163.03909	3.0
163.11188	37.9
163.12558	2.1
181.12244	51.5
203.01460	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1224
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
52.54433	0.9
53.03937	2.0
55.01862	2.5
55.05515	5.0
56.96549	2.0
57.03428	0.9
57.06799	1.1
57.07073	18.8
59.04980	2.3
63.10475	0.9
65.03913	0.9
67.05504	7.1
69.03394	1.2
69.07063	4.3
69.15233	10.1
70.82489	0.9
71.05000	2.0
79.05493	29.3
81.03430	4.9
81.07058	39.7
83.04983	39.7
85.06519	1.2
89.03867	1.2
91.05482	8.2
93.07047	36.3
93.79542	0.8
95.04982	12.2
95.08610	4.2
97.06535	19.2
97.66329	0.9
98.20732	2.0
98.97591	20.4
103.05447	1.1
105.07034	8.4
107.04950	2.3
107.08600	19.0
109.06551	1.0
112.90984	0.8
116.98630	10.0
117.03371	1.3
117.07059	4.3
118.75562	0.9
119.08578	9.5
121.06485	4.6
121.10148	60.9
122.10490	1.4
123.08044	2.0
125.05998	50.3
130.07796	1.9
133.10057	1.1
134.99606	2.4
135.04408	2.1
135.08061	3.4
135.10721	1.3
135.11705	17.9
136.07581	1.5
138.59888	1.0
139.03891	1.7
145.02834	1.4
145.09068	1.5
145.10139	20.2
149.91374	0.9
163.03940	5.6
163.11186	100.0
164.11542	2.4
165.05626	0.9
171.72781	1.0
181.04921	0.9
181.06532	0.9
181.08679	1.0
181.12247	27.9
182.12495	1.0
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
53.03931	1.3
55.01876	2.0
55.05497	2.2
56.62772	0.9
56.96559	1.4
57.03427	1.1
57.06797	1.2
57.07079	21.2
59.05003	2.2
62.98419	0.9
65.97417	0.9
67.05498	2.6
69.03429	1.7
69.07063	3.2
70.08584	2.9
71.05000	1.0
74.30090	0.9
77.75267	0.9
79.05492	8.6
81.03419	5.2
81.06655	0.9
81.07046	4.8
83.04981	49.0
91.05484	3.8
93.07040	9.6
95.04968	15.8
95.08575	0.9
97.06530	24.9
97.07163	1.5
98.97581	13.6
105.07033	4.5
107.04960	2.9
107.08599	9.3
109.06517	0.9
111.08141	1.2
116.97233	1.0
116.98618	6.7
117.07023	1.1
119.08586	3.0
121.06509	3.2
121.10163	15.4
125.05994	61.7
130.07796	2.6
134.99702	1.6
135.08115	1.4
135.11687	7.1
140.00266	0.9
145.10130	12.9
163.03862	2.0
163.11183	100.0
164.11568	2.0
165.06999	1.5
166.07751	3.2
181.10161	4.5
181.12241	29.9
182.12392	1.0
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	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03939	0.6
54.19703	0.4
55.01863	0.6
55.05503	2.8
56.96548	0.9
57.03444	0.6
57.07071	1.6
59.04993	4.7
59.94783	0.4
67.05514	3.1
69.03426	2.2
69.07069	3.5
70.87138	0.5
70.87464	0.9
72.00829	0.5
73.02904	0.8
74.27510	0.5
79.05495	6.3
81.07055	8.1
83.04961	1.9
83.08607	0.7
91.05477	3.9
93.07044	19.7
95.04959	0.6
95.08611	15.9
97.06512	2.1
98.97581	6.6
105.07014	3.6
105.32701	0.4
107.04945	1.6
107.08593	33.3
109.06512	0.9
109.10185	2.5
109.10758	0.4
111.04440	1.9
111.07999	0.6
116.98619	2.7
117.07015	1.3
119.08565	4.7
121.06483	4.9
121.10139	17.8
123.08067	4.0
125.06005	3.6
130.07808	1.1
134.99638	0.7
135.08035	1.1
135.11694	45.5
136.11993	1.0
137.13226	1.2
139.07530	9.1
145.10127	12.8
153.12671	2.3
163.11179	28.9
181.12233	100.0
182.12587	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.5
55.01868	1.5
55.05503	1.9
56.96576	2.0
57.03430	1.3
57.07076	22.3
59.04998	3.0
65.65261	0.9
66.78806	0.9
67.05484	1.9
69.03423	1.3
69.07029	1.9
70.51083	1.1
70.57430	1.8
70.80756	1.0
73.30155	1.0
74.61987	1.0
79.05497	11.2
81.03407	5.0
81.07074	5.4
83.04980	48.6
85.06568	1.3
91.05485	3.3
93.07051	9.8
95.04962	14.6
95.08607	1.3
97.06528	22.6
98.97589	18.3
105.07025	4.7
106.50030	1.1
107.04972	1.9
107.08580	9.9
116.98614	9.1
117.03362	1.3
117.07010	3.1
119.08562	3.0
121.06521	2.7
121.10143	17.0
125.05995	61.6
130.07768	1.9
133.10106	0.9
134.99631	3.6
135.04424	2.5
135.08005	1.0
135.11705	6.0
140.00140	1.7
142.12224	1.1
145.10132	11.3
162.90463	1.1
163.03873	6.1
163.11179	100.0
164.11595	2.4
165.06999	4.1
166.07796	7.4
172.10086	1.1
181.02608	1.6
181.08595	1.1
181.10139	13.2
181.12245	35.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0497
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
54.55951	0.3
63.02373	0.6
63.55531	0.3
70.27474	1.4
77.03904	0.5
79.05506	3.7
89.03926	21.4
91.05468	1.8
93.03382	0.6
95.04962	0.5
98.21482	0.4
98.97576	1.4
107.04315	0.5
107.04973	6.5
111.04433	0.7
117.03390	25.9
119.04919	0.6
125.04921	0.4
134.57700	0.4
135.04427	40.3
136.04745	0.4
139.03909	1.6
145.02861	25.4
145.03877	1.0
146.03218	0.7
163.03914	100.0
164.04294	1.9
181.03912	1.5
197.87532	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1222
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
52.50024	1.2
53.03902	1.1
55.01870	1.2
55.05505	2.7
57.03434	1.2
57.07078	21.6
57.59921	1.1
59.04992	3.5
67.05485	2.3
69.03419	2.0
69.07050	3.7
69.84626	4.6
69.85043	2.4
79.05502	10.4
81.03421	6.8
81.07051	5.7
83.04983	47.5
89.03899	1.6
91.05454	4.2
93.07040	10.7
95.04969	14.8
97.06527	29.5
98.97587	16.8
105.07011	7.3
107.04929	2.4
107.08604	11.3
116.98605	9.1
117.07006	2.7
119.08588	2.0
121.06515	3.8
121.10139	14.1
125.05997	61.2
126.06310	2.4
130.07826	2.0
134.99628	1.5
135.04378	1.3
135.11700	7.7
140.00157	1.8
145.10127	12.1
163.03891	4.1
163.11188	100.0
164.11501	3.0
171.63603	1.0
181.10135	4.2
181.12221	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0494
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
51.02384	0.3
53.03944	0.6
55.01887	0.4
55.05516	0.9
56.96566	2.3
57.03435	0.3
57.07077	1.0
63.02396	0.4
67.05501	0.3
69.03456	0.3
69.07081	0.8
69.66847	1.5
71.95281	0.9
73.41842	0.3
77.03949	0.4
79.05503	4.7
81.03426	0.7
81.07063	0.8
83.04985	3.2
89.03922	18.8
89.57824	0.3
91.05482	1.4
93.03420	0.6
93.07050	1.7
95.04974	1.5
95.08602	0.5
97.06519	1.9
98.97590	24.9
105.04512	0.3
105.07108	0.4
107.04958	6.1
107.08611	1.3
110.41837	0.3
111.04448	1.6
113.73048	0.3
116.97295	0.7
116.98629	14.2
117.03389	22.6
118.03719	0.4
118.36786	0.3
119.04977	0.6
119.08601	0.6
121.10154	1.6
125.06001	4.0
134.99666	5.0
135.04425	39.9
135.11697	1.0
136.04752	0.5
139.03873	1.7
139.98810	0.3
140.00182	1.6
145.02861	23.7
145.03922	1.1
145.10139	1.0
146.03165	0.4
147.93674	0.3
158.01268	1.1
163.03914	100.0
163.11191	6.3
164.04279	1.5
165.07028	0.4
166.07784	0.5
181.04909	1.0
181.08595	0.6
181.10060	0.5
181.12225	3.5
181.15787	0.4
186.05542	0.7
187.80519	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.118
Annotation	nicotine-1'-N-oxide
Peak:m/z	Relative Intensity
53.03951	2.0
60.07892	0.4
60.08173	7.1
65.84077	0.3
70.54158	1.3
77.03932	0.9
86.06083	0.8
92.05002	0.7
93.05773	0.5
94.06572	100.0
95.04977	1.6
95.06916	1.2
97.34425	0.5
105.04540	1.0
115.63062	0.4
120.04462	1.7
137.07094	3.6
179.03398	0.4
179.11819	15.4
179.29189	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1179
Annotation	nicotine-1'-N-oxide
Peak:m/z	Relative Intensity
51.02366	0.4
51.41251	0.2
53.03942	2.1
55.01871	0.4
55.05514	0.3
57.89138	0.2
60.08164	5.6
64.56618	0.2
67.05499	0.8
69.07064	0.3
69.99045	0.2
69.99384	1.0
71.05000	0.3
77.03922	0.9
79.05491	0.5
81.03409	0.3
81.07059	0.8
86.06080	0.6
91.05478	0.9
92.05019	1.1
93.05770	0.6
93.07051	0.5
94.06569	100.0
95.04964	1.9
95.06898	1.1
95.08611	0.6
96.48048	0.2
98.20811	0.3
105.04506	1.1
105.07021	1.1
107.08604	0.4
108.43977	0.2
109.06536	0.2
109.10194	0.2
118.94001	0.2
119.04973	0.3
119.08561	1.1
120.04475	2.1
121.10178	0.3
123.04436	1.2
123.08031	0.4
133.02859	0.7
133.10110	0.9
137.07095	3.6
147.04443	0.4
151.03925	0.6
151.11214	0.3
161.13290	0.4
179.03421	2.8
179.06897	0.5
179.11810	15.6
179.14352	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.118
Annotation	nicotine-1'-N-oxide
Peak:m/z	Relative Intensity
51.02383	0.3
53.03950	2.1
56.89003	0.2
58.62045	0.1
60.08165	5.3
63.72782	0.1
67.05509	0.3
67.71143	0.2
68.99822	0.2
69.40239	0.6
69.40665	0.6
77.03928	1.0
81.03406	0.3
81.07038	0.3
86.06062	0.6
91.05486	0.3
92.05010	1.1
93.05803	0.5
93.07049	0.2
94.06570	100.0
95.04969	1.8
95.06886	1.1
95.08601	0.2
98.20762	0.3
105.04539	1.2
105.07005	0.4
109.10192	0.2
114.37611	0.2
119.08613	0.5
120.04468	1.7
123.04416	0.4
133.02863	0.4
133.10127	0.2
137.07104	3.6
161.13177	0.2
179.03416	1.2
179.11803	14.2
180.12177	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	0.4
53.03952	1.8
55.05487	0.3
57.32631	0.2
60.08168	5.7
67.05508	1.6
70.18156	1.0
75.38103	0.3
77.03934	1.0
79.05524	0.5
81.03390	0.3
81.07050	2.4
86.06071	0.4
91.05489	0.5
92.04998	0.9
93.05830	0.3
93.07067	0.2
94.06573	100.0
95.04965	2.8
95.06918	1.4
95.08613	3.2
102.87734	0.2
105.04525	1.0
105.07024	0.6
109.10176	2.2
119.04990	0.2
119.08569	0.6
120.04485	2.0
123.04467	0.8
123.11709	1.0
132.76234	0.2
133.02904	0.7
133.10133	0.6
137.07108	4.1
146.57727	0.3
151.03833	0.3
152.08156	0.2
161.09662	0.4
179.03407	1.6
179.11815	15.1
179.17932	0.3
180.12172	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1066
Annotation	1-Phenylpropyl acetate
Peak:m/z	Relative Intensity
53.03934	4.0
55.01860	5.8
55.05500	5.2
56.93687	1.1
56.96573	1.5
57.03418	1.6
59.05005	1.2
60.08161	2.5
65.03924	2.3
67.05511	13.3
69.03417	2.1
69.07056	3.6
71.04991	3.3
74.84926	1.2
77.03917	2.8
79.05497	16.0
81.03419	3.4
81.06659	1.7
81.07069	16.5
83.04972	2.9
83.08592	1.4
85.02908	2.3
85.06541	1.5
89.03909	2.9
91.05482	49.3
92.05846	1.7
93.07042	12.3
94.06573	45.0
95.04974	100.0
95.08619	18.2
98.21516	3.2
103.05520	1.5
105.03378	2.4
105.04494	1.8
105.07034	44.2
107.04960	2.9
107.08600	9.1
109.06516	3.1
109.10162	9.7
115.05463	1.7
117.03389	1.7
117.07035	9.5
119.04953	10.0
119.08588	81.6
120.08929	2.1
121.06501	4.7
121.10172	4.6
123.04444	30.3
123.08046	4.9
123.11716	4.0
128.06241	3.3
131.08551	2.8
133.02861	21.0
133.06453	3.8
133.10138	43.1
135.04393	4.0
135.11684	5.3
136.05177	1.4
137.06036	3.0
137.07104	3.3
137.09641	14.0
143.08572	6.4
147.04424	13.4
151.03914	9.0
151.07523	2.3
151.11183	5.3
157.32947	1.5
161.06017	7.7
161.09630	19.8
161.13287	7.7
164.08299	3.9
179.03404	64.9
179.06413	9.7
179.08488	2.4
179.10608	32.6
179.11743	3.5
179.14284	8.4
180.03795	1.7
195.80588	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.034
Annotation	Esculetin
Peak:m/z	Relative Intensity
51.02376	0.5
53.03946	0.5
53.91389	0.3
67.05496	0.4
71.21847	0.4
75.68813	0.3
77.03909	1.3
77.39767	0.3
79.05506	0.5
89.03923	1.8
95.04975	1.1
105.03401	3.5
105.04494	0.3
109.02882	0.7
117.03374	1.3
118.60987	0.2
123.04434	40.9
124.04703	0.3
133.02859	29.2
134.03136	0.4
135.04420	4.2
150.03113	0.4
151.03906	10.2
153.80896	0.3
179.03400	100.0
180.03746	1.9
181.06378	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1067
Annotation	2-Phenylpropyl acetate
Peak:m/z	Relative Intensity
53.03937	5.1
55.01857	4.6
55.05506	8.4
56.96549	4.0
57.03431	1.3
57.07071	2.3
59.05014	1.0
60.08150	1.9
64.18475	0.9
65.03931	1.5
66.54496	1.0
67.05510	24.6
68.99797	1.7
69.03411	1.5
69.04505	0.9
69.07059	7.6
70.98135	5.3
71.04994	9.3
71.48625	1.0
71.49055	1.6
77.03907	2.0
78.34036	0.8
78.49644	0.8
79.05493	25.6
81.03403	6.7
81.06593	1.8
81.07056	26.2
83.04974	5.3
84.92913	0.9
85.06534	1.6
88.99165	1.8
89.03928	1.6
91.05482	79.3
92.05001	1.7
92.05782	1.5
93.07047	14.8
94.06567	54.2
95.04971	10.7
95.08608	20.0
97.02891	4.5
97.06518	4.2
98.98456	1.6
99.04474	1.1
103.05463	1.3
105.03370	4.1
105.04487	2.3
105.06320	2.2
105.07030	44.9
106.07425	1.2
107.04942	3.9
107.08583	7.3
109.06512	2.9
109.10154	18.6
113.06033	1.4
115.05417	1.2
117.03366	1.0
117.07012	13.9
119.04941	4.4
119.08582	100.0
120.04479	1.6
120.08926	1.2
121.06509	1.7
121.10144	5.4
123.04433	19.7
123.08081	3.2
123.11722	10.2
125.55499	1.1
128.06200	4.1
131.08554	3.3
133.02861	15.4
133.06488	4.5
133.10132	40.0
135.02055	1.9
135.04417	4.2
135.08035	1.7
135.11687	3.7
137.06033	2.4
137.07112	1.8
137.09612	3.5
137.13248	2.1
143.08560	8.4
144.02557	2.6
147.04407	4.5
151.03900	6.5
151.11198	3.7
161.05977	3.0
161.09621	16.5
161.13232	5.7
163.03908	9.3
164.04088	2.0
178.07820	1.3
179.03398	44.9
179.06329	7.0
179.08646	4.1
179.10539	19.3
179.11853	4.4
179.14255	8.4
179.17949	4.4
180.06554	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.034
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.3
53.03948	0.6
55.01889	0.4
67.05495	0.8
68.99802	0.3
70.92983	0.5
77.03925	1.6
79.05492	0.5
81.03430	0.3
89.03916	2.2
92.65908	0.2
95.04948	1.0
105.03403	4.1
105.04515	0.3
107.04977	0.3
109.02869	0.5
117.03349	1.6
119.04871	0.4
123.04433	44.1
124.04777	0.4
129.17247	0.3
131.60785	0.3
133.02858	29.4
135.04425	4.7
137.05988	0.8
147.04353	0.3
151.03917	10.5
151.05156	0.5
161.02400	0.7
161.41878	0.3
179.03400	100.0
180.03755	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.034
Annotation	Esculetin
Peak:m/z	Relative Intensity
51.02387	0.4
53.03951	0.6
55.01870	0.4
67.05508	0.5
70.92979	0.5
70.93291	0.4
75.52061	0.3
76.29311	0.3
77.03923	1.7
79.05506	0.9
81.03407	0.4
84.93240	0.3
89.03925	2.4
91.05489	0.7
93.55264	0.3
93.84850	0.3
94.06583	0.4
95.04981	1.4
97.05743	0.3
102.42859	0.2
105.03397	4.3
105.04491	0.4
105.07024	0.7
109.02901	0.5
117.03395	1.4
119.04977	0.9
123.04434	42.3
133.02861	30.4
135.04408	4.1
137.05980	0.5
147.04414	0.9
151.03912	10.6
152.01614	0.9
161.02342	0.4
161.05974	0.6
161.09593	0.3
179.03400	100.0
180.01157	0.5
180.03745	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.1227
Annotation	4-(Diethylamino)benzaldehyde
Peak:m/z	Relative Intensity
55.01876	1.0
56.05016	0.4
56.96575	3.0
57.53642	0.4
59.93113	1.8
68.05027	0.7
70.06591	1.2
70.37386	1.1
72.72891	0.4
73.02901	0.5
77.94157	1.0
79.05499	1.6
80.05016	0.5
81.07069	0.6
84.08146	0.4
85.02915	1.0
86.85378	0.4
88.02215	1.4
89.03925	1.1
90.04256	1.6
91.05481	5.5
92.05033	0.7
92.05864	0.6
93.05828	0.7
93.07043	0.6
94.06583	1.1
95.04967	0.7
97.02909	1.0
98.97595	1.7
98.98462	0.5
100.95764	0.4
103.05476	1.4
104.04993	1.4
105.03414	1.3
105.07040	6.9
106.06551	0.7
107.04990	0.7
107.08594	0.7
108.04469	0.5
108.08196	0.5
109.02838	0.6
109.06512	0.5
110.97553	1.1
114.03460	1.0
114.05533	1.2
115.05460	1.1
117.03360	0.9
117.05731	0.8
117.07020	1.2
118.03722	3.9
118.06549	11.4
118.96765	10.7
118.97557	0.8
119.04945	2.3
119.07330	8.6
122.06013	0.9
123.04417	2.2
128.06229	1.1
130.06514	1.1
131.07315	0.6
132.04471	1.2
132.08080	2.0
132.08932	0.5
133.02855	3.5
133.06496	1.4
133.99110	2.2
134.09656	58.1
135.04448	0.6
135.10007	0.6
136.93097	1.5
136.95406	1.4
137.05959	3.1
143.08542	0.7
145.02817	0.7
146.03185	5.6
147.04420	1.0
150.05379	1.0
150.06422	1.0
150.95767	0.8
151.03902	1.2
154.94215	2.3
154.96507	3.4
159.97012	0.6
160.03949	18.8
160.11214	9.6
161.02354	0.8
161.04347	0.6
161.05914	0.8
162.09186	1.7
163.06226	1.0
163.09998	0.9
172.95282	3.0
177.98093	3.6
178.04991	92.3
178.08606	13.6
178.12270	100.0
179.03372	5.4
179.05260	1.7
179.06889	1.3
179.12740	2.0
180.97382	0.5
197.01144	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1639
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
50.79351	0.9
53.03959	1.3
55.05512	10.4
67.05509	5.0
69.07072	27.1
69.17358	8.0
69.17771	2.3
79.05498	14.3
81.07056	16.3
83.08162	1.2
83.08626	16.8
89.03908	3.3
91.05476	9.8
93.07047	31.3
95.04983	1.0
95.08613	36.3
97.10166	3.1
98.20799	1.7
98.98460	2.0
105.07040	9.3
107.08598	70.6
108.08891	1.3
109.10149	13.9
117.03390	5.3
117.06985	2.0
119.08588	3.0
121.10149	100.0
123.08064	1.8
131.08607	1.7
133.07629	1.0
133.10159	1.3
135.11708	15.6
145.02876	7.1
145.06374	0.9
149.05997	1.8
149.13242	7.0
177.05540	3.1
177.09132	2.6
177.16397	52.5
178.16687	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.0864
Annotation	Streptazone A
Peak:m/z	Relative Intensity
52.25119	0.2
55.21338	0.2
56.96570	1.1
58.19147	0.2
58.74707	0.2
59.93088	0.2
67.05480	0.2
68.05015	0.4
69.70422	1.1
79.05480	0.3
81.07043	0.5
84.08076	0.2
88.10050	0.2
91.05457	0.5
98.97583	0.4
105.07014	0.4
107.04960	0.3
108.04467	0.5
109.06502	0.8
112.07590	0.4
115.05463	0.5
116.10719	1.4
117.39071	0.2
118.92071	0.4
118.96743	0.8
119.05009	0.3
123.04380	0.3
131.45523	0.2
132.08035	0.4
133.06445	0.2
135.04416	3.8
136.93126	2.1
136.95467	0.4
137.05995	2.8
139.51590	0.2
143.04924	0.9
153.67110	0.2
154.94203	2.5
154.96429	0.3
155.01891	0.6
159.25876	0.2
160.07471	0.4
161.06021	0.6
162.05478	0.8
163.06290	4.9
172.95280	1.5
173.01314	0.2
173.02887	0.2
178.05281	4.0
178.08636	100.0
179.03455	0.3
179.05475	0.2
179.08990	1.6
194.36235	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1639
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
52.95831	0.8
53.03938	1.5
55.05513	11.4
57.07075	2.2
58.74836	0.9
62.06047	0.9
67.05515	7.5
69.07075	24.2
69.86345	2.1
69.86765	1.8
77.03913	0.9
79.05499	17.4
81.07063	16.6
83.04999	1.1
83.08623	15.9
84.90924	0.9
86.33082	0.9
89.03915	2.6
91.05480	12.0
93.07049	39.0
95.04982	1.2
95.08612	46.5
97.10176	3.5
98.98465	4.3
103.05466	1.2
105.07043	8.8
106.04183	0.8
106.85618	0.8
107.08600	65.0
109.06533	1.0
109.10159	14.8
109.94990	0.9
110.81586	0.9
117.03404	4.9
117.07012	5.8
119.08580	2.5
121.10149	100.0
122.10532	1.0
131.08562	3.2
133.06502	1.6
133.10092	1.5
135.10713	1.4
135.11702	18.6
145.02867	7.9
149.02357	1.1
149.05965	3.6
149.09595	0.9
149.13245	7.2
153.37367	0.8
159.08037	2.7
161.77353	0.8
169.07709	0.8
176.98619	1.0
177.05458	2.6
177.09198	4.1
177.12779	2.7
177.16400	64.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1639
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03945	1.9
55.01868	1.9
55.05509	14.5
56.09209	0.7
57.03432	0.9
57.07066	3.1
61.77773	1.0
65.03932	2.0
65.84431	0.8
67.05505	13.7
69.03423	2.4
69.07068	28.8
69.23891	5.6
69.24299	1.7
71.05003	1.0
77.03927	1.3
78.04699	1.3
79.05494	39.0
81.03407	0.8
81.07058	28.1
83.04986	2.0
83.08617	15.3
89.03920	16.0
91.05482	28.1
92.85664	0.9
93.07045	64.2
95.04964	3.7
95.08609	42.7
97.06514	2.6
97.10162	3.3
98.21467	1.6
98.98472	21.2
103.05441	2.1
105.04493	1.5
105.07030	20.1
105.26748	0.8
106.04165	1.7
107.04955	2.3
107.08597	83.3
109.06500	2.9
109.10159	15.1
111.08180	1.0
115.05437	1.0
117.03387	27.1
117.07014	8.6
118.03695	1.0
119.08581	7.7
121.06520	5.9
121.10147	100.0
122.10450	1.5
129.07008	1.6
131.04944	1.2
131.08569	10.0
133.06497	0.9
133.10126	18.8
134.03609	4.6
135.04436	2.0
135.08072	5.9
135.11694	27.1
135.12727	1.4
144.09343	2.1
145.02847	36.0
146.03230	1.1
149.02364	4.0
149.05994	10.2
149.09608	3.9
149.13261	13.8
159.08054	1.5
159.11713	8.8
162.03154	1.9
177.05460	13.8
177.06705	0.9
177.09163	6.3
177.12775	32.6
177.16388	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	177.1275
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03939	7.7
53.54293	1.7
55.01860	5.0
55.05513	22.3
57.03426	7.2
57.07063	4.2
63.02370	1.7
65.03935	3.1
67.05504	20.2
69.03434	9.1
69.07070	35.1
69.54860	11.5
69.55170	2.7
71.04978	7.7
74.66097	1.4
76.58652	1.5
78.04731	3.5
79.05496	51.7
81.03390	2.2
81.07059	39.2
83.04959	5.4
83.08623	11.8
89.03922	35.3
91.04913	2.9
91.05484	51.6
93.07047	100.0
95.04970	11.0
95.08614	26.9
97.06548	3.4
98.98469	37.3
103.05486	2.8
105.04546	2.2
105.07037	38.7
106.04169	3.8
106.07358	2.0
107.04969	10.5
107.08596	82.1
109.06548	10.0
109.10173	7.1
111.08109	2.1
115.05446	5.0
116.06231	3.0
117.03387	59.2
117.07018	31.9
119.08589	21.2
121.02849	1.8
121.06511	25.2
121.10152	49.3
122.07279	3.3
129.07008	9.0
130.07779	6.0
131.08571	38.4
133.06491	3.7
133.10126	19.2
134.03583	7.5
135.04401	6.1
135.08070	18.2
135.11687	19.6
142.93536	1.6
144.09360	13.0
145.02846	69.3
146.03162	2.0
147.11641	2.9
149.02356	4.6
149.05957	20.6
149.09604	8.0
149.13263	17.4
157.10016	2.0
159.11708	36.4
162.03168	1.9
177.01863	1.7
177.05466	24.8
177.09131	6.4
177.12752	73.4
177.16359	22.5
183.91336	1.5
190.37982	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0911
Annotation	5,6,7,8-Tetrahydro-2-naphthoic acid
Peak:m/z	Relative Intensity
53.03940	3.3
54.51388	0.9
55.01865	0.8
55.05513	10.3
57.03428	0.8
63.02372	1.0
67.05504	2.1
69.07066	1.3
71.48777	1.2
77.03923	1.4
78.04704	3.6
79.05497	7.4
81.03424	1.6
81.07026	1.3
83.08603	1.2
84.13383	0.9
89.03921	41.9
91.05484	23.0
92.06270	7.7
93.07049	8.7
95.04968	6.6
95.08603	1.7
98.98470	7.8
103.05469	2.9
105.03394	3.0
105.04546	0.9
105.07020	2.6
106.04173	3.1
107.04962	24.4
107.08583	5.4
109.06509	1.5
110.00355	0.8
115.05476	1.4
116.06244	2.4
117.03386	76.8
117.07008	1.7
118.03702	1.1
119.04948	5.8
119.08598	3.6
120.05733	11.7
121.06518	17.8
121.10136	5.2
123.04437	40.7
129.04475	1.2
129.06973	1.1
131.04933	3.9
131.08583	11.5
132.57426	0.8
133.06500	3.5
133.10130	1.2
134.03630	8.3
135.04424	80.6
135.08073	3.9
135.11736	1.7
144.05711	1.6
145.02853	89.0
146.03181	2.0
147.04419	15.9
147.08089	2.5
148.05200	100.0
149.02388	1.1
149.06001	27.6
149.09624	3.6
157.24249	0.8
159.08069	4.8
159.11655	1.9
162.03140	2.5
162.06868	0.9
163.03912	2.4
177.05495	25.3
177.09109	45.8
177.12723	2.9
177.16365	1.7
186.05447	1.0
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
53.03955	1.2
55.05519	0.8
56.32904	0.4
59.09089	0.5
60.86943	0.5
63.02374	1.4
67.05498	0.7
69.07072	1.1
69.95057	2.0
70.54099	0.5
78.04715	3.0
79.05502	1.7
81.07056	1.6
83.08611	1.0
86.29012	0.5
89.03922	46.2
90.04251	0.8
91.05491	5.4
93.07044	3.7
95.04980	0.5
95.08615	2.2
98.98473	3.1
103.05488	2.1
105.03432	0.8
105.07018	1.6
106.04174	4.1
107.08592	4.1
109.10194	0.8
115.05447	0.8
117.03386	84.2
117.07048	3.5
118.03738	1.7
119.04955	1.2
119.08563	0.8
121.02834	0.7
121.06501	1.6
121.10143	5.5
125.27158	0.5
131.08580	1.8
133.10115	0.9
134.03644	10.0
134.07240	0.9
134.71750	0.5
135.04460	3.0
135.08023	0.7
135.11722	1.2
145.02853	100.0
146.03201	1.5
149.05991	24.7
149.09633	0.7
158.06023	1.0
159.11748	0.7
162.03136	2.2
162.06818	1.6
163.03888	2.0
164.30147	0.5
177.05484	27.0
177.09111	17.4
177.10667	0.7
177.12747	1.8
177.16396	2.9
186.05505	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.2
53.03928	2.6
53.70935	0.7
55.01868	1.2
55.05516	9.6
57.03420	1.0
63.02340	0.8
65.03920	1.5
67.05489	2.6
69.03423	1.0
69.07062	1.5
69.31915	0.7
71.49155	0.9
77.03928	1.7
78.04707	2.2
79.05499	7.0
81.03386	2.1
81.07061	1.3
81.46449	0.6
89.03921	44.7
91.05487	21.2
92.06280	6.6
93.07044	7.6
95.04968	7.1
95.08598	1.5
98.98461	9.8
101.11749	0.7
103.05472	3.6
105.03395	3.5
105.04535	1.4
105.07025	2.7
106.04188	3.7
106.63457	0.7
107.04964	22.8
107.08601	4.2
109.06516	0.9
114.37111	0.7
115.05480	1.6
116.06245	1.1
117.03386	74.0
117.07021	1.8
118.03686	1.1
119.04954	5.4
119.08562	1.7
120.04909	0.9
120.05732	10.9
121.06517	17.8
121.10130	5.9
123.04435	36.8
124.04639	0.7
129.06990	2.1
131.04916	4.4
131.06923	1.0
131.08569	10.4
133.06502	3.8
133.07378	0.7
133.10078	1.3
134.03630	8.2
135.04424	77.7
135.08018	2.6
135.11630	1.5
136.05098	0.8
138.01158	0.7
144.05656	1.1
145.02853	91.4
146.03186	1.9
147.04422	14.9
147.08087	1.6
148.05200	100.0
149.02406	1.1
149.05994	34.2
149.09601	4.5
149.13290	0.9
159.04440	0.9
159.08058	6.0
159.11696	1.3
162.03123	2.1
163.03908	2.6
177.05499	29.9
177.09113	46.7
177.12772	3.4
177.16429	2.0
186.05545	1.0
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
53.03941	0.8
59.28349	0.4
63.02383	1.5
65.61198	0.4
69.07069	0.6
78.04717	3.4
79.05495	1.1
79.24504	0.4
81.07045	0.6
89.03922	46.1
90.04225	0.7
91.05476	3.6
93.07047	1.6
98.98473	2.0
103.05467	1.9
105.04528	0.5
105.07092	0.6
106.04191	3.9
107.08582	1.0
117.03383	78.9
117.07030	0.9
118.03708	1.0
119.04944	0.8
121.06503	1.0
121.10151	0.9
124.05208	0.5
131.04944	0.9
134.03635	9.1
135.04427	4.4
135.10776	0.6
145.02852	100.0
146.03217	1.5
147.04430	0.5
149.05988	26.2
159.08104	1.0
162.03134	1.4
163.03871	1.8
177.05479	26.2
177.09131	1.6
177.12801	1.1
186.05531	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0547
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
63.02377	1.6
63.94384	0.6
69.14660	5.4
78.04710	3.9
79.05511	1.2
89.03922	47.6
91.05492	4.4
93.07032	1.3
95.04974	1.5
98.98479	3.1
103.05472	1.8
106.04182	4.1
107.04942	2.0
117.03384	88.1
117.24847	0.6
118.03741	1.7
119.04936	0.6
121.02856	0.6
121.06503	1.6
121.10149	0.8
124.05239	0.9
131.04924	0.8
131.08589	1.3
134.03642	12.2
135.04422	6.6
135.85342	0.6
145.02853	100.0
145.24831	0.6
146.03192	2.1
147.04350	0.7
149.05989	30.3
153.05434	2.3
155.32092	0.6
159.08128	0.7
162.03119	3.9
163.03899	5.3
163.40302	0.5
177.05478	33.6
177.08963	3.3
177.12784	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0546
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
52.13591	0.4
53.03940	1.0
55.05520	1.4
56.11840	0.5
58.39098	0.5
59.05019	0.8
63.02374	1.4
65.03941	0.8
67.05504	2.5
69.07078	1.5
71.49463	0.7
78.04720	3.2
79.05502	3.3
81.07056	2.3
83.08623	0.5
88.02210	0.7
89.03921	51.1
90.04247	0.5
91.05484	12.5
92.05779	0.6
93.07043	4.7
95.04978	1.7
95.08611	2.8
98.98469	12.0
103.05492	2.7
105.03378	0.8
105.07043	6.3
106.04174	4.5
107.04996	0.7
107.08604	5.9
109.06574	0.8
109.10177	1.8
117.03384	89.8
117.07014	3.1
118.03704	1.5
119.08580	16.7
121.06496	1.6
121.10147	6.2
122.07308	1.9
124.05222	1.5
128.06221	0.6
129.04520	0.6
129.07010	0.9
131.08566	3.5
133.06506	1.0
133.10152	6.0
134.03636	11.7
134.10905	2.0
135.04446	6.3
135.08055	5.9
135.11649	2.4
136.08862	0.6
137.09622	13.2
144.09370	0.9
145.02850	100.0
146.03177	1.9
146.07231	0.6
147.09152	1.4
149.02371	1.4
149.05986	25.8
149.09605	2.6
149.13271	4.7
158.05971	2.6
159.08118	1.1
159.11624	2.9
161.09631	5.3
162.03125	1.7
162.10333	0.5
163.03900	2.1
177.05475	28.1
177.09081	1.8
177.12747	28.0
177.16391	2.2
178.05797	0.8
186.05495	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	177.0547
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03953	0.9
57.81165	0.4
63.02388	1.6
64.66803	0.4
65.03940	0.4
65.04289	0.4
67.05520	0.5
69.07047	0.6
70.08767	0.4
78.04716	2.9
79.05489	1.0
81.07060	0.9
88.02217	0.7
89.03920	46.6
90.04194	0.7
91.05482	4.4
93.07047	2.4
95.04963	1.1
95.08631	1.2
98.21551	0.7
98.98473	7.5
103.05468	1.9
105.03345	0.5
105.07032	1.6
106.04181	3.0
107.08585	2.2
117.03384	83.7
118.03673	1.0
119.08575	0.7
121.06494	1.2
121.10131	3.4
124.05202	0.9
130.06557	0.5
131.08577	1.4
133.10143	0.9
134.03635	9.2
135.04440	5.3
135.08089	0.8
135.11719	1.3
145.02850	100.0
146.03192	1.9
147.04405	0.5
149.05986	27.1
149.13191	0.4
158.06038	1.5
158.61060	0.4
159.08107	0.7
159.11691	1.6
162.03149	0.8
163.03903	1.4
177.05472	24.6
177.09050	1.4
177.12726	1.9
177.16397	1.1
178.08641	0.7
186.05542	6.1
187.13870	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0546
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
52.14430	0.7
52.55828	0.6
53.03944	1.4
55.01877	0.7
55.05518	2.0
55.61752	0.6
57.61407	0.7
60.87573	0.6
63.02369	1.0
65.03916	0.8
67.05508	1.9
69.07071	1.3
69.24926	6.5
76.19131	0.7
78.04710	3.4
79.05479	4.7
81.03362	0.8
81.07053	3.0
86.31000	0.6
89.03915	53.0
90.04248	0.6
91.05476	8.9
93.07046	6.6
95.04964	1.7
95.08608	3.8
98.98465	17.7
100.98875	0.8
103.05478	2.6
105.07030	3.5
106.04177	4.0
107.04987	1.5
107.08587	7.1
109.06548	0.7
109.10184	1.5
117.03378	87.7
117.07011	1.7
118.03715	2.1
119.08564	1.1
121.06532	1.7
121.10144	7.0
124.05218	1.1
131.04910	0.7
131.08566	3.9
133.06520	0.8
133.10127	2.5
134.03648	12.2
135.04404	6.1
135.08060	1.7
135.11667	2.5
141.07053	0.7
145.02844	100.0
146.03169	2.0
149.02316	2.1
149.05977	29.5
149.09679	0.9
149.13298	0.9
150.06387	0.7
158.05994	2.2
159.08058	1.5
159.11678	2.2
161.09552	0.9
162.03111	2.5
163.03880	1.1
177.05470	28.5
177.09106	2.5
177.12759	8.2
177.16338	4.3
178.08669	1.1
186.05481	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	177.0546
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
50.51620	0.3
53.03951	0.9
55.05529	0.4
63.02386	1.6
67.05495	1.1
69.07063	1.1
69.18622	0.9
69.19037	3.1
69.91869	0.3
73.63304	0.3
73.89669	0.3
76.53935	0.4
78.04711	3.7
79.05499	2.4
81.07046	1.1
83.08618	0.6
88.02217	0.6
89.03923	52.3
90.04239	0.9
91.05493	4.6
93.07043	3.9
95.04971	1.5
95.08620	1.8
98.98472	8.8
103.05467	2.3
105.03398	0.9
105.04517	0.4
105.07043	2.2
106.04188	4.0
107.04987	0.5
107.08596	3.1
109.10168	0.7
117.03387	86.2
118.03708	1.3
119.04970	0.5
119.08569	0.8
119.40763	0.3
121.06497	1.5
121.07345	0.4
121.10141	4.6
124.05196	1.0
129.04504	0.4
131.08551	1.2
133.10161	0.7
134.03639	10.2
135.04413	5.8
135.08180	0.8
135.11717	1.3
136.50226	0.4
143.00806	0.4
144.09474	0.4
145.02855	100.0
146.03197	1.7
147.04514	0.4
149.02373	1.0
149.05992	26.8
149.13287	0.7
150.06305	0.6
153.57033	0.3
154.28030	0.4
158.06001	2.8
159.07971	0.5
159.11714	0.9
160.31773	0.3
162.03139	1.4
163.03941	1.9
177.05486	25.9
177.09013	1.0
177.12733	2.5
177.16434	1.9
178.08623	0.4
186.05496	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	176.0199
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	3.6
53.03949	43.5
55.05318	1.4
55.05510	16.5
58.99586	5.0
61.01149	31.1
62.98795	2.3
62.99081	21.4
65.00639	15.4
65.03946	3.7
67.04225	2.5
67.05500	6.5
68.05038	11.9
69.03423	9.1
69.07058	4.4
69.82169	8.3
70.06567	2.1
71.04992	7.3
71.99095	12.9
75.02688	6.1
78.03455	23.4
80.05020	2.2
82.99564	5.0
84.00326	1.8
85.01134	72.0
87.02691	48.6
89.00607	3.8
89.03894	4.1
96.04491	76.1
98.98497	2.4
100.02165	2.5
101.02957	3.5
101.04237	16.0
103.02168	43.3
104.02936	4.6
104.22128	1.6
112.02196	100.0
117.03732	15.2
119.08571	2.3
120.08894	2.6
126.47572	1.8
130.06516	4.1
133.10133	1.7
134.10486	3.5
142.39043	1.7
145.02858	9.6
149.05969	3.2
176.02002	67.8
176.10799	1.6
176.15309	2.1
177.05482	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	175.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10482	1.2
53.03944	1.9
55.01849	1.5
55.05518	6.8
67.05495	4.6
69.07072	16.2
71.10414	2.6
76.46230	1.5
79.05476	5.0
81.03395	1.5
81.07061	11.9
83.08609	3.6
91.05481	22.2
92.90064	7.2
93.07061	8.3
95.08620	9.9
98.98470	92.7
105.07036	39.5
107.04935	1.5
107.08587	7.8
115.03961	1.7
117.07043	4.5
119.08587	86.7
121.10147	3.3
128.06181	1.5
129.07004	2.9
131.08585	8.1
133.06456	2.2
133.10133	71.0
133.92699	3.9
142.07745	2.9
145.10118	5.7
146.10976	1.5
147.08043	1.9
147.11691	14.7
151.93745	8.7
157.04291	5.7
157.10089	4.0
160.12476	3.7
173.13251	3.5
175.03925	1.6
175.07538	3.8
175.11252	16.6
175.13155	6.8
175.14819	100.0
176.06906	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03933	1.0
55.05307	0.5
55.05514	5.0
55.64498	0.5
57.07063	0.7
60.03638	0.5
66.92084	0.5
67.05498	2.4
69.07072	10.8
70.07413	0.5
71.49530	0.9
77.01631	0.5
79.05505	4.2
81.07067	8.1
81.34186	0.5
81.76768	0.6
83.08603	1.7
91.05488	12.4
91.39098	0.5
92.90087	3.3
93.07056	6.1
95.08622	4.9
98.98472	33.0
99.80130	0.5
103.88813	0.5
104.06299	0.6
105.07037	25.8
107.08603	6.1
109.10162	0.7
115.05463	1.1
117.07008	3.7
119.08589	62.5
120.08826	0.8
121.06522	0.6
121.10164	2.1
121.92254	0.5
128.06242	0.6
129.07022	1.6
131.08562	5.1
132.09361	0.6
133.10143	65.7
133.92691	1.2
134.10942	0.9
142.07762	1.9
144.09315	1.3
145.10126	11.0
147.08047	0.7
147.11699	26.0
151.93808	2.3
157.04323	2.3
157.10155	2.6
159.11714	4.3
160.08868	1.0
160.12479	8.5
161.13243	1.1
173.13281	1.3
175.11403	5.6
175.14833	100.0
176.15224	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
53.62499	1.5
55.05493	6.3
57.07060	1.7
67.02987	1.5
67.05502	8.6
69.07070	20.1
71.49917	2.2
79.05496	10.1
81.07054	24.8
82.05288	1.8
83.08601	2.6
91.05483	32.5
93.04510	3.5
93.07047	14.8
95.08091	1.5
95.08615	18.2
98.98470	82.4
99.91966	1.5
105.07036	63.8
107.08585	13.5
109.07624	1.5
117.06993	5.8
119.08587	96.1
120.08085	2.2
121.10103	2.8
131.08560	7.7
133.08421	5.4
133.10133	60.1
134.07112	7.5
135.06688	1.9
135.07877	5.5
136.07443	3.3
145.10094	6.5
146.10905	2.3
147.08026	2.1
147.11700	34.1
148.08656	4.2
157.04257	5.0
160.12425	3.4
162.88652	1.6
175.07466	3.9
175.09917	9.9
175.11198	3.5
175.13110	17.7
175.14792	100.0
176.07051	1.8
176.09297	2.6
176.15070	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.8
53.94355	0.8
55.05512	8.9
57.07058	1.1
62.06091	0.9
67.05491	4.0
69.07071	20.1
70.83418	1.7
74.62507	1.0
77.03919	0.9
79.05503	5.0
81.07052	14.9
83.08615	3.9
91.05489	16.6
93.07056	7.8
95.08612	10.4
98.98476	16.7
100.39603	0.9
105.07036	44.9
107.08614	8.6
115.05457	2.4
117.07028	3.4
119.08588	100.0
120.08839	1.2
121.10115	2.5
128.06058	0.8
129.07004	3.3
131.08560	9.3
133.10138	94.9
134.10376	1.4
142.07735	1.1
145.10146	6.9
146.10884	2.9
147.08109	1.0
147.11707	17.3
157.10164	1.9
160.05217	1.9
160.12479	3.9
173.13283	3.2
175.03973	1.2
175.07588	4.0
175.11275	8.2
175.14832	95.5
175.18887	2.6
176.15163	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
51.02382	0.4
53.03941	0.9
55.01896	0.3
55.05515	10.1
57.07074	0.9
67.05503	3.0
69.07072	22.9
70.07442	0.3
70.16655	0.3
71.49358	0.5
71.49724	0.3
77.03912	0.3
79.05499	4.8
81.07059	13.7
83.08620	4.1
90.09204	1.0
91.05486	15.4
93.07045	6.0
95.04987	0.6
95.08614	9.6
96.14637	0.3
98.12577	0.3
98.98475	8.2
101.32962	0.3
103.05469	1.0
104.06205	0.6
105.07036	41.4
106.07359	0.9
107.08599	8.2
109.10175	0.7
110.65637	0.3
115.05479	1.4
116.06293	0.4
117.07021	3.8
118.07822	0.8
119.08586	100.0
120.08802	1.6
121.10146	2.8
128.06261	0.3
129.07011	2.5
131.07599	0.6
131.08577	8.8
132.09337	0.9
132.95844	0.3
133.10136	81.2
134.10510	1.1
135.11670	0.7
142.07800	0.8
145.09065	0.5
145.10130	7.4
146.10881	1.9
147.08064	0.5
147.11694	15.5
148.12080	0.3
157.10135	1.9
158.11003	0.4
159.11639	0.7
160.05215	1.1
160.12463	4.0
173.13289	2.4
175.07562	1.8
175.11348	6.3
175.14828	94.6
176.15176	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	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03947	1.1
54.63155	0.7
55.05512	12.1
57.07068	1.1
60.77636	0.7
67.05515	4.0
69.07071	22.7
69.69125	1.0
69.69531	3.4
79.05515	4.9
81.07060	13.4
83.08624	5.0
91.05484	14.0
93.07062	4.3
95.08611	9.6
98.21490	1.2
98.98466	1.6
103.05461	1.4
105.07035	37.8
107.08595	8.4
109.10114	1.0
115.05466	2.7
117.07011	3.9
119.08586	96.8
121.10149	3.3
131.08569	6.9
133.10135	84.8
133.36497	0.7
134.10500	1.4
135.11652	0.8
145.10130	6.5
146.10895	2.4
147.11710	13.4
160.05186	3.9
160.12489	3.8
173.13246	2.6
175.07576	6.0
175.14835	100.0
176.15169	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	5.4
61.04061	3.0
69.94425	2.8
72.08171	0.6
73.06187	0.9
73.06560	15.1
90.09193	100.0
91.09551	0.7
98.98476	6.5
103.08695	4.6
105.07031	1.2
115.05482	1.4
133.05919	0.7
135.72719	0.6
160.05203	1.6
175.07552	3.5
175.10693	1.3
175.14514	1.8
188.27753	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.8
55.05512	9.0
56.94292	0.5
57.07069	1.1
65.03931	1.0
67.05516	5.7
69.07071	13.5
70.06592	0.5
77.03938	0.9
77.29176	0.4
79.05498	8.2
81.07059	43.5
82.07376	0.5
83.08617	2.9
91.05482	23.0
93.07047	12.9
95.05003	1.0
95.08611	28.5
98.98470	18.7
100.52302	0.4
103.05465	1.1
104.06226	0.7
105.07034	59.1
106.07359	1.1
107.08598	17.1
109.10146	1.4
115.05470	1.4
117.07021	6.8
118.07841	0.7
119.04945	1.1
119.08585	100.0
120.09448	0.8
121.10131	1.9
122.92464	0.5
129.07005	2.0
131.08571	13.7
132.05713	0.5
132.09357	1.7
132.95844	0.5
133.10136	77.7
134.10432	1.3
142.07797	1.2
145.10115	5.1
146.07390	0.5
146.10913	3.6
147.04460	1.0
147.08066	1.2
147.11693	16.3
151.93817	0.7
157.06473	0.5
157.10124	1.7
160.05174	1.2
160.08804	0.9
160.12428	2.9
173.13283	2.1
175.07513	4.8
175.11314	7.2
175.14830	97.4
176.15161	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	175.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.0
55.05508	0.6
56.96566	15.0
57.03438	3.7
57.23211	0.5
58.03789	0.5
58.99873	1.7
60.05653	34.9
60.24022	0.5
61.02932	2.1
66.22834	0.5
69.03429	3.8
69.07046	0.5
70.06596	100.0
70.85718	0.9
70.86049	0.9
70.98127	0.8
70.99850	1.0
71.01369	0.6
71.05006	2.5
71.06931	0.7
72.08161	4.9
72.93793	0.8
73.02926	4.9
81.03432	1.4
82.99832	2.5
83.05001	1.2
84.08147	1.7
84.96040	0.6
84.99667	0.6
85.01416	9.4
85.02902	3.3
86.09725	0.7
87.04483	0.6
88.07662	0.8
91.05504	0.6
92.90047	0.7
95.04960	0.6
97.01407	1.2
97.02896	3.1
98.06084	1.2
98.97597	8.5
98.98483	9.2
99.04449	1.2
101.00887	21.3
101.02376	0.7
102.01002	1.5
102.52518	0.7
103.00646	4.3
103.02463	12.9
103.03156	0.8
110.97582	7.8
111.04466	0.7
111.53026	0.5
112.02902	0.7
112.03723	0.9
112.07607	3.0
112.08740	3.8
113.00883	1.9
114.00967	0.8
114.10290	0.9
115.00633	1.9
115.02441	7.3
115.03971	0.8
115.08695	0.6
116.07103	27.8
116.97225	2.6
116.98618	2.6
117.02165	0.6
119.01927	29.5
120.02057	1.9
121.01687	4.9
121.02409	0.7
121.03510	3.8
126.03434	0.7
127.02431	1.8
127.03970	0.9
128.02423	1.0
128.98651	4.9
130.06546	2.6
130.08780	0.9
130.09763	11.3
131.01915	4.1
132.02037	0.7
132.04457	2.1
132.95860	3.5
133.01863	3.1
133.03477	38.4
133.96065	0.8
134.03572	1.1
134.95897	0.6
137.02968	4.9
143.01938	1.7
144.01994	0.9
145.01651	1.7
145.03470	11.1
146.03680	0.9
146.99678	1.6
147.03247	0.9
150.96890	1.7
151.04539	6.4
151.93930	0.6
152.96933	0.8
155.01909	0.7
156.02106	1.1
156.03261	1.1
156.98122	4.3
157.01694	1.6
157.03464	5.0
157.07675	1.2
157.10852	1.0
158.06064	2.6
158.09262	7.6
158.99689	0.7
159.03270	0.7
161.02975	1.1
163.02762	1.7
163.04514	2.8
171.01407	1.5
173.02962	1.2
174.03181	0.7
174.99165	12.8
175.04539	55.1
175.06093	1.8
175.11920	19.4
175.98479	0.7
176.04750	1.9
179.04109	0.7
186.03069	1.0
186.04541	0.7
187.02734	1.0
193.00241	6.5
193.03738	0.5
193.05652	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1119
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
50.01583	0.6
53.03944	0.9
55.01865	1.8
55.05510	3.9
57.03436	22.8
65.03926	1.8
65.07438	0.5
66.67162	0.6
67.05502	12.9
67.14243	0.5
67.65970	0.5
69.03430	2.9
69.07072	3.7
69.83310	3.3
70.06593	1.7
79.05491	7.8
81.03390	0.6
81.07059	4.6
83.05006	1.2
85.64604	0.7
91.05482	23.5
92.16290	0.6
92.90076	1.1
93.07042	3.3
95.04971	12.0
95.08579	2.9
97.02891	0.8
98.03609	0.7
98.98467	50.0
103.05453	1.7
105.04547	0.6
105.07033	34.5
106.07388	0.7
107.04955	8.4
107.08615	3.6
108.44295	0.6
115.05460	2.4
116.06239	1.9
116.99546	0.8
117.07032	7.9
118.07779	0.7
119.04947	1.7
119.08582	66.6
120.08928	0.8
121.06508	4.7
121.10202	0.8
128.06238	3.0
129.07005	8.9
131.04926	4.5
131.08574	7.4
132.05721	3.3
132.09322	0.6
133.06494	30.0
133.10129	24.3
135.08054	1.8
141.07042	0.8
142.07773	9.8
143.06068	1.2
145.06482	11.6
145.10124	3.2
146.07269	34.7
147.04459	1.5
147.08049	69.8
147.11681	15.2
148.08389	1.1
151.93719	1.0
155.05972	0.7
157.04297	0.9
157.06482	0.9
157.07642	2.3
157.10114	9.7
159.07986	0.6
160.05222	1.3
160.08844	9.0
160.12508	0.8
173.09648	0.9
173.13277	0.8
175.03873	2.0
175.07733	4.0
175.11185	100.0
175.14784	17.7
176.11519	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	175.1118
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
50.83642	0.5
53.03940	1.0
55.01863	2.1
55.05513	3.1
65.03937	0.7
67.05509	2.7
69.07075	2.9
69.40718	2.2
69.41144	2.8
72.82207	0.6
77.03936	0.7
79.05502	6.5
81.03446	0.6
81.07037	3.4
83.04990	1.6
83.08618	0.9
83.81175	0.6
86.06480	0.6
91.05488	32.3
91.26449	0.6
93.07051	2.7
95.05006	0.9
95.08596	1.6
97.06531	0.8
98.21503	1.1
98.98467	11.2
103.05460	3.2
104.06239	1.0
105.07037	99.2
106.07381	1.6
107.04955	0.9
107.08609	1.7
109.22101	0.6
115.05448	4.9
115.37491	0.6
116.06268	3.1
117.07019	5.4
119.04942	2.6
119.08585	50.8
121.06520	0.6
122.76846	0.6
128.06186	2.7
129.07014	21.8
130.06511	1.2
131.08575	100.0
132.05725	2.1
132.08931	2.0
132.95837	0.7
133.06569	2.8
133.10132	16.3
136.34253	0.6
140.23079	0.6
141.07007	0.8
142.07793	6.3
143.01910	1.2
145.10132	2.4
147.08070	5.9
147.11697	15.8
157.06509	0.8
157.10138	15.7
160.05141	2.9
175.07671	7.2
175.11192	84.4
175.14734	8.5
176.11551	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0755
Annotation	1,2-Dihydroxy-8-methylnaphthalene
Peak:m/z	Relative Intensity
53.03943	1.0
55.05515	3.3
59.82351	0.6
60.25935	0.7
65.03937	0.7
65.68439	0.6
67.05482	1.9
69.07075	7.7
70.06598	0.7
70.84226	1.4
70.84560	1.2
74.26727	0.7
79.05480	2.4
81.07053	5.5
83.08623	1.6
91.05488	29.1
93.07031	2.6
95.08610	3.8
96.36469	0.6
98.98470	23.8
99.51498	0.6
103.05457	2.5
104.06260	1.3
105.07037	21.3
107.08577	2.4
115.05460	35.8
116.06268	5.0
117.07030	10.3
119.04918	0.8
119.08588	40.0
121.10138	1.7
128.06218	4.9
129.07008	20.4
131.04922	2.4
131.08574	16.7
132.05740	5.2
132.95805	0.8
133.06456	2.1
133.10135	69.4
142.04195	0.7
142.07799	1.5
143.04936	7.6
144.05719	7.1
145.06523	2.1
145.10165	3.4
146.03651	0.7
147.08026	6.6
147.11711	9.6
149.67986	0.7
149.69519	0.6
155.05995	1.2
157.06502	2.4
157.10127	3.1
160.05205	58.2
160.12527	1.2
161.05608	1.4
165.22067	0.7
175.07552	100.0
175.11115	7.9
175.14828	44.5
176.07886	2.2
176.15149	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1327
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
50.23460	0.5
53.03936	0.6
55.05521	6.2
58.72100	0.5
59.04992	1.4
67.05508	2.7
68.15551	0.4
69.20828	4.7
69.21227	1.1
71.08624	0.9
72.93793	3.7
79.05485	2.0
81.07066	6.2
83.04986	6.0
87.04429	0.6
89.89909	0.4
90.94830	3.0
91.05492	8.8
93.07035	3.5
95.08590	0.6
101.06033	3.8
103.03292	0.7
103.05434	0.6
105.07041	9.7
107.67172	0.5
111.04454	7.1
113.96379	0.7
115.05478	1.8
116.06281	2.6
116.76353	0.5
117.07026	13.1
119.08591	13.1
128.06218	1.3
129.05492	1.2
129.07010	10.1
130.07814	3.3
131.08578	53.4
133.10141	1.9
143.08568	18.1
144.09366	9.2
145.10136	35.8
146.10437	0.6
149.94141	0.9
149.96126	1.7
155.07027	4.8
156.09395	0.8
157.10167	1.2
158.07379	0.7
158.10919	24.3
171.11688	0.9
173.02362	3.0
173.08250	6.0
173.13275	100.0
174.13722	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	173.1327
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
52.47380	0.4
53.03945	0.7
55.01858	0.4
55.05515	11.6
55.59068	0.4
55.93534	0.6
56.96566	0.6
57.07079	2.2
58.07405	0.9
59.04993	2.1
67.05512	2.6
68.93790	0.4
69.07059	0.8
70.06593	0.4
70.29731	0.4
71.04967	0.7
71.06113	0.9
71.08601	0.6
71.49509	0.8
72.93790	14.4
73.04822	0.5
74.06077	0.6
76.02234	2.0
77.10204	0.4
79.05488	1.8
79.63830	0.4
81.07049	2.7
82.74208	0.4
83.04984	12.0
85.06542	0.4
87.04467	1.0
88.07625	3.3
89.02390	1.2
89.07972	1.5
90.90379	9.1
90.94829	10.3
91.05480	12.5
93.07047	1.4
96.04473	0.6
99.04436	0.5
101.06022	8.3
102.09175	1.3
103.03278	2.4
103.05473	0.9
103.09518	1.1
105.07040	10.9
105.07703	0.8
107.08634	0.5
107.95085	0.5
108.95868	2.4
111.04446	14.6
111.05215	0.9
113.06007	1.5
113.96413	2.2
115.05446	2.1
116.06207	2.8
116.96466	0.5
117.07019	8.6
119.08594	12.6
125.96156	0.5
127.07553	1.3
128.06227	1.8
129.05524	3.6
129.07004	10.1
130.07806	3.6
131.08571	79.2
131.92984	2.9
131.97450	1.1
132.08917	1.1
133.10132	2.3
142.07793	1.5
143.08566	23.2
144.09346	7.7
145.06523	0.9
145.10126	28.6
146.10425	0.6
149.94064	6.8
149.96077	4.2
150.06197	0.8
150.96867	0.6
155.07039	8.4
155.08531	1.6
156.09372	1.7
157.10162	1.2
158.07368	2.1
158.10921	37.3
159.11604	1.6
167.97169	4.1
171.11696	2.1
172.95630	0.7
173.02316	1.0
173.08234	13.8
173.09691	5.8
173.13269	100.0
173.17307	12.5
174.13725	1.4
176.28342	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29107	0.2
55.05239	0.4
55.05511	7.2
55.93546	0.2
56.96572	0.4
59.55584	0.2
63.59082	0.2
69.51989	0.8
69.52421	1.0
72.08152	3.4
72.80650	0.2
72.93789	4.0
82.72045	0.3
83.04999	1.5
85.07679	1.8
89.04260	16.2
89.94055	0.3
90.90382	0.5
90.94830	3.2
98.20748	0.3
101.06016	1.2
111.04448	1.9
111.97621	0.3
111.98441	0.6
113.96368	0.5
114.03804	0.4
126.02128	0.3
131.06393	42.2
132.06738	0.6
132.95837	1.1
141.38098	0.3
149.96109	1.8
150.96899	0.3
155.07028	1.1
155.97452	0.3
167.97176	0.6
173.11087	100.0
174.11464	1.7
175.50446	0.3
181.51515	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61944	0.6
53.03939	2.1
55.05514	8.1
56.96570	23.1
58.06617	3.6
59.05001	1.9
61.04063	2.7
67.05499	0.7
69.03423	0.8
69.07057	1.7
70.06593	14.7
70.95876	2.8
70.99691	1.2
71.04996	8.6
72.93794	27.0
83.04984	8.4
84.08125	0.8
84.96046	1.3
85.07677	2.3
87.04465	1.1
88.07636	10.2
89.01723	0.5
89.06026	3.3
89.94033	1.2
90.90393	2.7
90.94831	22.2
95.66778	0.6
97.02845	1.0
98.97591	3.9
99.05608	0.5
100.99158	2.0
101.06028	6.0
108.95866	2.2
110.01305	0.7
110.97570	2.6
111.04448	10.5
111.98476	2.3
112.99108	0.6
113.05981	0.7
113.07125	1.7
113.96447	4.3
113.97129	1.0
116.98602	1.3
117.81265	0.5
119.01873	0.6
126.97044	1.2
127.07531	1.0
128.10794	0.7
128.98608	4.3
129.05490	1.9
129.99521	1.1
131.08173	46.5
131.93007	1.8
131.96155	1.3
131.97458	0.8
132.95844	8.9
136.93169	0.6
137.05946	0.6
144.98111	1.1
146.99651	1.6
149.94066	2.0
149.96121	8.1
149.97270	0.9
150.96906	5.5
154.94244	0.8
155.07033	6.1
155.97398	3.1
158.99625	0.9
161.04631	0.6
162.05463	0.6
165.00711	0.7
167.97157	3.8
172.95575	0.6
172.97668	0.6
173.01176	0.9
173.08125	7.8
173.12869	100.0
173.98483	1.9
174.13165	1.2
191.02278	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0805
Annotation	2-Hyroxybiphenyl
Peak:m/z	Relative Intensity
55.01860	1.9
55.05499	1.9
56.82455	0.4
62.76672	0.4
65.03939	0.8
71.48995	0.6
72.04519	6.8
78.39875	0.5
79.05492	0.9
83.08619	1.2
86.30524	0.5
89.07166	4.2
91.05503	2.4
103.05461	2.1
103.49973	0.5
105.03389	0.8
105.48313	0.6
115.05459	8.3
127.05399	0.5
128.06229	50.6
129.07048	4.8
131.04900	1.7
139.00314	0.7
141.06995	4.8
142.07756	1.4
143.08568	43.5
144.08939	0.8
145.06506	2.2
151.05486	0.6
152.06216	7.3
153.06993	11.9
153.23903	0.5
155.06047	4.6
155.08580	0.7
156.05710	0.6
156.09337	5.8
169.06508	4.6
171.08055	100.0
171.11620	5.8
171.14896	3.5
172.08360	1.9
181.07607	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1109
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64055	0.2
55.05512	6.3
59.97209	0.3
62.00087	0.2
64.34819	0.2
69.84645	0.9
72.08163	4.0
72.93793	1.8
83.04995	0.6
85.07667	2.2
89.04259	18.9
90.90408	0.4
90.94840	1.4
98.21482	0.4
101.06065	0.4
111.04448	0.8
114.03795	0.3
131.06395	46.5
132.06732	0.5
132.95921	0.4
149.96114	0.9
155.07074	0.5
173.11090	100.0
174.11372	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0653
Annotation	2-Hydroxy-6-oxo-octa-2,4-dienoate
Peak:m/z	Relative Intensity
53.03956	3.9
53.04151	0.8
55.01875	5.2
55.05509	4.6
56.96569	7.9
57.03432	1.3
57.07068	0.9
65.03931	1.1
67.05511	4.1
68.96322	1.1
69.03439	1.9
69.07067	5.8
70.94270	6.3
71.03779	1.8
71.04984	0.8
72.04517	15.3
79.05497	30.2
80.05811	1.0
81.03420	100.0
81.07057	5.6
81.53808	0.8
83.04985	9.1
83.08605	4.0
85.02898	6.2
86.09682	0.9
87.04453	1.7
88.90836	1.0
88.95305	7.8
89.07153	10.4
91.05447	1.5
93.07049	1.1
94.04178	0.9
95.04984	5.0
96.95174	1.0
97.02850	1.5
97.05950	0.8
97.06542	12.9
98.97580	2.9
98.98469	1.0
105.04503	1.5
106.96371	1.1
107.04314	1.2
107.04964	16.8
109.06519	4.2
110.97535	1.3
111.04454	5.4
111.96842	2.0
114.96172	20.1
115.05449	1.0
116.98617	1.5
125.05064	1.6
125.05995	30.3
128.06227	2.8
128.07126	1.1
128.98592	2.2
129.53627	1.7
130.96306	2.0
135.04402	3.8
136.00954	0.9
138.54099	1.7
139.00294	6.6
139.03874	2.0
143.07053	2.2
143.08580	1.2
147.96594	2.6
148.97369	1.9
153.05440	3.7
157.01321	3.1
157.50327	0.8
165.97688	2.4
171.02895	2.4
171.06509	2.4
171.07878	1.6
171.14973	7.2
189.00748	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.1177
Annotation	L-3-cyclohex-2'-enylalanine
Peak:m/z	Relative Intensity
53.03939	4.9
53.88934	1.7
55.01870	10.3
55.05518	13.0
55.93528	3.0
56.05034	4.4
56.96305	2.3
56.96571	34.2
57.03419	4.1
58.06594	6.4
60.04521	4.4
67.05507	56.6
68.05025	4.2
69.03431	2.3
69.07059	4.1
69.92545	2.3
70.06596	47.8
70.22205	7.3
70.94259	3.9
70.95855	3.5
71.05006	17.0
72.04522	16.1
72.93774	2.1
73.05293	2.3
74.97654	2.0
79.05499	28.2
80.04999	3.0
81.03410	12.3
81.07059	18.4
82.06582	10.8
83.04972	3.1
83.07340	7.4
83.08633	9.5
84.04511	44.5
84.96031	4.1
85.02920	3.5
86.06055	2.9
88.95293	6.2
89.07146	4.5
91.05476	14.4
92.05020	3.4
93.05835	8.9
93.06456	2.4
93.07048	24.3
93.32401	2.2
95.04988	14.5
96.04501	1.9
96.08124	10.6
97.06512	5.4
98.06055	2.9
98.97586	4.8
99.03851	1.8
99.49702	1.7
101.00735	1.9
105.07027	2.9
106.06554	4.5
106.96329	1.7
107.04945	2.5
107.08601	29.0
108.08129	17.3
109.06535	3.8
109.10162	100.0
110.06022	7.6
110.09684	24.2
110.97581	4.9
111.00826	2.4
111.04406	2.5
111.08054	5.8
114.04333	1.8
115.05456	2.8
116.97193	1.8
116.98643	2.3
117.06989	6.5
122.09621	2.3
124.07608	18.2
124.11235	49.1
125.05994	4.4
125.09632	6.1
128.07161	1.8
128.10722	9.3
128.95091	12.2
128.98611	7.4
129.00337	1.7
129.53603	3.2
134.06007	5.0
134.09660	55.7
135.08043	16.4
136.06171	3.4
138.54124	5.0
139.00302	2.9
139.73918	1.8
142.08655	2.3
146.96118	7.2
146.97447	6.6
146.99609	4.0
147.01315	1.9
147.54698	2.2
152.07103	11.4
152.10721	68.4
153.09105	4.0
163.97664	2.1
170.02946	5.3
170.08138	11.5
170.09630	23.5
170.11760	88.2
171.15004	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0497
Annotation	2,6-Dimethoxybenzoquinone
Peak:m/z	Relative Intensity
52.96682	0.2
53.03949	0.4
55.01883	0.8
55.05503	0.5
62.21074	0.3
65.03927	0.3
68.99786	3.5
70.76840	0.5
70.77203	0.6
80.02641	0.3
81.03428	0.8
81.07059	0.4
85.02921	0.5
85.06535	0.3
85.94659	0.3
88.82317	0.3
97.02901	1.2
98.03676	2.8
98.21433	0.3
98.22672	0.3
99.04428	0.3
105.30625	0.3
109.02866	1.7
109.99309	0.3
111.00812	27.9
113.06033	0.5
125.02328	0.4
126.03146	31.5
127.03468	0.4
130.23720	0.3
141.05472	100.0
142.05792	1.7
151.08670	0.4
160.55449	0.3
169.04974	43.1
170.05379	0.6
170.09637	0.3
183.59415	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23018	0.4
53.62201	0.4
53.86928	0.5
55.01872	0.5
55.05505	0.4
57.03443	6.3
64.96668	0.4
67.05498	1.7
67.20293	0.4
71.49313	0.8
79.05474	0.5
81.07045	1.3
91.05491	0.5
107.08587	0.8
108.80535	0.5
109.02901	0.8
109.10191	1.5
111.00803	0.5
113.00022	100.0
133.10129	1.6
139.01579	0.6
141.05460	1.2
141.06967	0.8
146.10608	0.4
151.07652	0.6
151.11166	0.6
153.07002	0.5
154.02577	0.5
154.07765	1.4
155.08508	0.5
169.02623	8.1
169.04924	0.7
169.10092	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	168.048
Annotation	PHENYLACETOTHIOHYDROXIMATE
Peak:m/z	Relative Intensity
51.50390	0.1
53.03918	0.2
63.68563	0.2
64.32523	0.2
65.03948	0.9
67.92504	0.2
68.14502	0.2
70.06594	0.5
70.60613	0.2
70.60955	0.4
79.05499	1.3
82.94839	0.4
91.05486	100.0
92.05832	1.4
95.04979	0.2
103.05465	0.3
104.04963	0.3
106.06573	1.3
107.04964	0.3
114.60603	0.2
116.04977	0.8
117.05774	2.3
123.02651	0.3
134.06024	11.9
135.02664	1.1
144.95888	0.3
150.05542	0.2
152.07091	0.5
155.83351	0.2
167.82649	0.2
168.04814	2.3
183.09750	0.2
187.67337	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.0422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.3
55.01865	10.9
56.96566	26.9
57.03429	8.4
58.61647	3.8
58.99874	4.9
61.02908	5.7
62.40364	3.6
67.05486	4.2
67.92498	21.6
68.98282	8.2
69.03425	12.8
69.56281	4.6
70.85159	12.0
70.98039	5.5
73.02910	10.8
79.05502	6.2
81.03397	8.8
82.01441	4.6
82.94450	4.3
82.94852	39.8
83.00794	4.6
84.96026	15.6
85.02901	11.4
85.93513	4.5
86.99336	12.0
87.01896	8.8
88.99081	4.2
94.06593	20.6
96.01564	4.0
96.02435	4.3
96.04477	11.2
96.06888	5.6
97.02907	9.3
98.20808	3.8
98.97572	15.9
99.04430	5.4
100.02482	7.4
101.00887	34.2
102.00974	12.0
103.00607	16.5
103.02402	5.5
109.02892	7.4
110.97525	4.6
111.02889	4.7
113.00879	52.4
114.00954	7.1
115.02490	19.2
116.98625	4.4
117.02184	6.2
119.01908	34.8
120.02016	14.2
120.08079	6.3
121.01675	35.1
122.01984	9.0
122.06049	30.1
122.08717	6.2
123.97445	16.8
124.03913	5.3
126.05532	11.4
126.93771	11.4
126.97092	9.4
127.02454	34.0
131.00302	4.1
131.01920	98.8
132.02069	14.9
133.01593	5.7
133.03461	6.6
135.03163	5.2
136.02477	5.0
139.02655	6.1
143.01945	9.4
144.03198	6.4
144.94859	19.1
144.95792	4.9
144.98094	12.4
145.01669	9.6
145.03485	100.0
146.03624	5.4
149.01221	6.8
149.02956	8.7
150.02870	5.1
150.05502	44.1
153.08978	51.7
154.03529	26.2
157.03453	8.4
161.02951	10.3
162.95891	28.0
162.99199	11.1
163.02698	15.1
163.04594	8.1
168.05096	15.2
168.06564	42.8
168.11311	12.2
173.03075	4.1
174.04349	4.2
186.03033	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	167.1068
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03944	4.1
55.00653	0.8
55.01868	1.9
55.05275	1.1
55.05515	14.1
57.03441	1.0
57.07065	1.8
59.04992	2.4
65.03942	0.9
67.05511	10.5
69.03414	3.8
69.07072	45.9
71.04964	1.5
71.49863	1.4
77.03945	1.1
79.05497	18.9
80.05860	0.8
81.06610	0.9
81.07066	14.7
81.23215	0.8
83.04976	3.7
83.08607	2.9
83.93069	1.0
84.96046	0.9
91.05482	15.3
93.07048	85.0
95.04972	3.3
95.08618	12.5
97.06532	6.5
97.10175	1.1
99.52127	0.9
100.11262	1.0
103.05476	3.1
105.04509	1.6
105.07036	24.7
106.07838	1.6
107.08609	8.4
109.06561	1.6
109.10153	10.2
111.04414	1.5
111.08110	1.6
111.11722	7.8
113.69778	0.8
119.08588	5.3
121.01649	1.4
121.02869	1.2
121.06477	1.3
121.08408	2.7
121.10150	100.0
122.10483	1.4
123.08089	4.8
123.11694	2.6
125.09615	1.2
133.07631	3.1
139.11191	3.4
143.96721	1.0
149.02353	3.3
149.09627	15.5
149.13190	1.3
165.57564	1.1
167.03369	1.3
167.07060	2.7
167.08554	2.0
167.10686	34.9
167.14325	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0864
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
53.03948	0.3
56.05040	0.5
56.96550	0.5
65.92636	0.4
69.03413	0.5
70.03747	0.2
70.23945	0.8
74.02439	0.9
79.05495	1.4
80.94968	0.9
82.01489	0.2
82.99854	0.3
83.05014	0.3
85.02959	0.2
91.05470	0.8
93.07042	2.8
95.04973	0.5
96.05306	1.1
97.01382	0.5
97.02914	0.2
101.00874	1.8
102.00956	2.8
102.05528	0.4
103.00652	0.4
103.05472	11.1
105.04475	0.2
107.04968	2.6
113.00900	0.3
115.02461	1.2
117.04018	0.3
119.01926	2.4
120.02003	3.8
120.08109	100.0
121.01668	0.7
121.06504	1.4
121.08437	1.4
121.54814	0.2
121.97555	0.5
123.04441	1.0
124.04769	2.2
125.00845	0.3
125.02560	0.4
131.01900	0.6
131.04939	2.3
132.46402	0.2
133.03435	0.4
137.02992	0.4
137.05956	1.4
138.03127	0.4
138.05545	0.3
142.03497	0.7
142.94955	0.6
143.00172	0.5
143.01968	1.6
143.03644	3.3
144.03197	0.6
149.05962	1.7
161.01639	0.4
161.02963	2.9
161.04469	0.4
166.05054	0.5
166.07246	0.5
166.08617	4.0
166.09946	0.3
179.04030	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0911
Annotation	gamma-Thujaplicin
Peak:m/z	Relative Intensity
53.03946	0.9
55.01883	0.5
55.05505	3.7
56.96549	0.4
57.03436	1.2
57.07071	0.3
65.03950	1.5
65.34409	0.3
67.05507	22.8
68.05853	0.4
69.03434	3.9
69.07076	1.1
70.01415	0.3
70.75304	0.4
70.75634	0.7
71.04996	0.7
77.03967	0.4
79.05492	4.7
81.03433	1.7
81.07058	11.2
83.04546	0.6
83.04987	4.6
83.93040	0.6
85.02910	1.1
91.05486	14.0
93.07043	3.4
94.07858	0.5
95.04977	4.4
95.08609	6.9
97.02935	0.4
97.06524	0.6
101.00893	2.5
103.05455	1.2
104.06262	0.7
105.04522	0.3
105.07031	5.3
105.07697	0.5
107.04967	3.9
107.08604	3.9
109.02888	0.6
109.06532	2.9
109.10157	23.1
111.04444	0.6
117.07022	2.0
119.01940	7.0
119.04948	9.0
119.08583	21.3
120.08122	4.8
120.08909	0.5
121.06523	2.2
121.10164	2.3
122.07290	14.8
123.04446	3.1
123.08105	3.0
123.11727	1.3
124.02513	0.5
133.02792	0.6
135.04449	0.3
135.07991	0.5
135.11624	0.3
136.30739	0.3
137.02951	1.2
137.06010	2.7
137.09619	48.8
138.05437	0.5
138.09987	1.0
138.43294	0.3
140.74371	0.3
142.03484	4.2
142.96745	1.9
147.04416	16.8
147.08015	1.7
147.11696	2.2
160.04546	1.0
165.01884	1.6
165.05608	2.4
165.09116	100.0
165.12756	5.4
166.05055	0.8
166.09634	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	0.3
53.03933	1.2
55.01859	0.6
55.05504	0.5
57.03428	0.8
61.02926	0.7
65.03937	1.2
65.45787	0.3
67.05505	1.9
67.05815	0.3
68.46745	0.3
69.03424	3.1
69.07055	0.3
71.04994	0.4
71.22556	0.7
75.41405	0.4
79.05501	2.0
81.03423	2.5
81.07047	1.4
82.99846	0.4
83.04973	1.3
85.02902	1.1
90.43582	0.3
91.05482	28.9
92.05823	0.8
93.07056	1.9
95.04967	10.8
95.08602	1.9
99.04443	0.6
100.98613	0.4
101.00890	3.1
103.05468	1.0
105.04518	0.5
105.07014	3.1
106.71347	0.4
107.08583	0.9
109.06486	1.2
109.10149	1.2
111.04452	0.9
117.06966	0.6
117.11889	0.4
119.01151	0.6
119.01942	6.0
119.04941	52.0
119.08584	3.9
120.05247	0.7
120.08105	3.0
121.06480	1.0
121.10130	0.6
123.04430	16.7
123.08046	1.4
123.11756	0.5
133.02884	2.2
135.04427	0.4
137.02930	1.3
137.05002	0.7
137.05974	3.1
137.07903	0.6
137.09639	2.8
139.03239	0.4
142.03508	4.3
142.96727	1.0
147.04408	100.0
147.08031	1.7
147.11630	0.9
148.04761	2.1
160.04553	0.7
165.01808	0.9
165.04414	0.3
165.05463	3.2
165.07037	0.6
165.07594	0.6
165.09103	2.8
165.12747	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
50.56151	0.2
50.78863	0.3
51.16941	0.2
53.03954	0.3
55.05531	0.2
57.03434	0.3
59.33548	0.3
65.03933	1.4
67.05518	0.5
69.03427	0.3
71.06715	0.6
77.79302	0.3
81.03426	0.4
81.07072	0.5
91.05486	27.0
92.05808	0.4
95.04990	1.9
95.08623	0.3
101.00883	0.4
105.07027	0.8
109.06480	0.5
112.05882	0.3
119.01914	0.8
119.04950	52.7
119.08574	1.1
120.05305	0.8
123.04446	2.8
123.08065	0.7
137.05988	0.6
137.09555	0.3
142.03494	0.6
147.04419	100.0
148.04768	1.8
165.05490	1.1
165.09111	0.7
165.12817	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0545
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
51.02391	0.2
53.03949	0.4
53.52000	0.2
55.05510	0.5
56.41213	0.2
57.03452	0.3
65.03943	1.5
67.05512	1.8
69.03417	1.1
70.51101	0.6
70.51481	0.5
72.50530	0.2
79.05498	0.7
81.03407	0.7
81.07064	1.9
82.99833	0.2
83.04972	0.4
83.93060	0.4
91.05487	29.5
93.07075	0.5
95.04979	2.8
95.08617	1.5
101.00886	2.7
103.05473	0.3
105.04475	0.3
105.07037	1.3
107.04965	0.3
107.08588	0.7
109.06543	0.5
109.10149	0.9
119.01943	7.2
119.04950	53.6
119.08577	1.4
120.05305	0.8
120.08102	0.8
121.06565	0.3
121.10146	0.3
123.04453	2.1
123.08089	0.5
123.11758	0.4
137.02994	1.9
137.05981	0.8
137.09584	0.6
142.02444	0.4
142.03517	6.0
142.96704	2.4
147.04419	100.0
147.11687	0.8
148.04776	2.0
160.04568	1.8
165.01790	0.5
165.05429	2.0
165.06818	0.4
165.09128	0.9
165.12737	1.5
165.98268	0.4
181.29034	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03459	0.6
70.40534	0.5
71.47422	0.7
77.97604	0.5
79.44064	0.5
80.94965	0.8
81.00553	0.5
82.01437	1.6
82.99850	13.7
83.00314	1.1
83.99931	0.6
95.04967	2.0
100.02467	0.9
101.00888	80.2
102.00978	1.9
111.00394	0.8
119.01930	100.0
120.01997	3.1
120.08130	1.1
123.04440	3.3
124.02461	16.0
125.13052	0.6
137.02963	10.4
142.03508	84.4
143.03647	2.3
160.04553	11.8
165.05196	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45423	0.7
52.65564	0.6
63.23371	0.6
70.90352	1.4
82.01427	0.9
82.99851	14.9
89.41915	0.7
93.38907	0.6
96.33604	0.6
100.02462	1.0
101.00891	86.1
102.00995	1.5
111.00446	0.9
112.00847	0.6
119.01933	100.0
120.02031	2.5
124.02460	16.0
137.02965	10.4
142.03514	78.5
143.03667	2.5
147.79398	0.7
160.03343	1.2
160.04564	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	165.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03479	0.8
56.01390	1.1
56.05044	2.8
58.06601	0.7
59.06135	0.7
64.10850	0.5
67.03004	0.8
67.05482	0.9
68.05029	1.2
69.03429	2.3
69.04531	0.8
70.06594	1.4
70.66750	1.7
76.21988	0.5
80.05025	0.8
81.03424	0.7
81.04539	2.6
81.07045	0.8
82.06571	1.8
82.99844	5.1
83.02464	11.7
83.06107	4.8
85.02939	0.7
91.05489	0.7
95.04987	1.0
95.06084	1.8
95.08613	1.0
96.05620	1.0
97.06380	1.0
97.07661	3.0
98.07172	2.4
100.02490	0.8
101.00879	39.8
102.00928	0.8
107.06079	2.3
109.07621	1.0
109.10155	0.7
110.07159	1.9
110.08433	0.7
111.07973	1.3
111.09148	0.9
119.01921	100.0
119.04953	1.9
119.08561	1.3
120.01957	2.8
120.08079	0.7
121.07587	1.0
122.07144	4.9
123.06676	2.4
123.07932	1.6
123.09209	3.0
124.02454	10.2
124.05064	5.1
124.08709	11.0
125.09524	2.7
136.08720	1.0
137.02957	21.1
137.05928	0.6
137.09541	2.2
138.06618	0.7
138.10252	1.6
142.03499	78.1
142.96709	1.0
143.03606	2.7
147.04390	2.4
147.06631	0.7
148.08682	3.6
160.04553	16.4
165.01759	0.6
165.05127	11.0
165.07784	4.8
165.09079	1.4
165.11354	11.3
165.12726	1.1
183.06216	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
55.05513	7.0
57.07073	0.9
61.52038	0.3
65.03938	0.9
67.05508	4.0
69.07071	18.8
69.40656	2.0
77.03905	0.7
79.05499	15.6
80.56493	0.3
81.07059	23.4
83.08623	5.7
87.79417	0.3
89.03914	2.4
90.30117	0.3
91.04910	0.5
91.05481	9.8
92.05743	0.3
93.07048	35.0
94.07357	0.7
95.04990	0.7
95.08611	21.6
103.05457	0.6
105.04482	0.7
105.07042	5.2
107.04956	1.0
107.08597	100.0
108.08899	1.9
109.06538	1.8
109.10164	1.4
117.03371	2.1
119.06072	1.3
119.08585	1.9
121.10148	27.4
122.10451	0.6
130.06610	0.4
131.04929	0.6
133.02811	0.5
135.04410	4.0
135.11694	9.3
145.02814	1.7
154.45485	0.3
161.13268	0.5
163.03897	5.4
163.07542	0.6
163.11197	0.9
163.14830	41.4
164.15169	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1483
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.29096	0.3
53.03942	1.2
55.01856	0.5
55.05516	6.1
57.07080	0.9
65.03942	1.3
67.05506	3.4
67.58560	0.4
69.07071	18.0
70.39375	0.8
70.39738	0.9
77.03942	0.9
79.05499	14.9
81.07062	22.2
83.08617	5.1
89.03924	2.7
91.05485	10.7
91.06030	0.8
93.07050	34.2
94.07325	0.4
95.04974	1.2
95.08614	20.6
103.05469	0.6
104.51905	0.4
105.07034	5.7
106.04192	0.5
107.04966	1.2
107.08601	100.0
108.08931	1.4
109.06523	1.3
109.10177	1.6
117.03380	2.4
119.06058	1.2
119.08579	1.7
121.10153	26.4
135.04436	4.6
135.11693	9.1
145.02817	1.1
145.10155	0.4
145.72897	0.4
161.13330	0.9
163.03900	4.7
163.07605	0.5
163.14835	40.5
164.15173	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1481
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02382	1.3
53.03944	8.7
54.03471	9.0
55.01867	1.2
55.05510	6.3
57.07069	1.4
62.35899	0.7
65.03937	0.7
66.18057	0.6
67.05512	3.3
69.03407	1.1
69.07070	19.1
70.08957	2.7
77.03925	3.3
77.77206	0.7
79.05499	21.7
80.05019	1.3
81.03400	0.8
81.04556	6.3
81.07058	23.8
83.04984	0.7
83.08614	3.7
89.03925	5.8
91.05484	12.6
92.02621	4.2
93.07049	37.1
95.04974	11.2
95.08611	19.4
103.05461	2.1
105.03402	6.3
105.04510	5.3
105.06396	1.1
105.07035	9.9
106.06554	1.4
107.04971	4.3
107.08596	100.0
108.08858	1.3
109.06497	1.3
109.10130	1.4
115.05502	0.7
117.03413	4.4
117.05768	1.8
117.07037	1.7
119.04986	0.8
119.06060	1.7
119.08595	5.4
120.02079	1.3
120.08128	0.9
121.06483	2.3
121.10145	29.6
122.07157	5.9
130.06517	5.0
130.07803	1.2
131.04941	0.9
132.08099	5.8
133.01862	1.1
133.02861	21.4
135.04420	30.9
135.08037	1.2
135.11697	13.2
138.03105	1.5
140.08151	0.7
145.02863	3.4
145.10147	4.8
163.03911	84.5
163.07507	3.5
163.09785	3.1
163.11172	14.9
163.12364	2.3
163.14830	35.3
164.04272	1.8
164.10599	0.9
164.15179	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1483
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02381	1.2
53.03949	6.4
54.03479	100.0
55.03828	0.6
55.05521	2.5
56.05047	0.9
57.07104	0.8
65.03962	0.6
67.05513	2.8
68.05029	2.6
69.04565	0.8
69.07077	18.8
69.52601	4.1
73.48756	0.6
77.03926	1.2
79.05500	12.8
80.05051	1.5
81.04549	50.7
81.07066	12.7
82.05331	4.9
82.06571	1.0
82.56033	0.6
83.06113	0.9
83.08638	2.8
84.08138	1.1
91.05490	5.7
92.02642	3.9
93.04581	0.7
93.07055	22.5
94.06577	1.4
95.04982	8.2
95.06102	8.2
95.08620	12.8
96.06900	1.1
97.07700	2.7
98.07195	2.3
103.05495	1.4
105.03397	5.1
105.04511	4.6
105.07044	2.9
106.06578	2.6
106.45629	0.6
107.04977	1.8
107.06123	1.3
107.08607	43.5
108.05610	1.7
109.07652	1.1
109.10181	1.5
110.07185	1.4
114.87247	0.7
117.03361	0.7
117.05790	1.4
117.07011	0.7
119.06052	1.5
119.08614	1.4
120.05576	1.3
120.08131	0.9
121.07656	2.3
121.10156	17.1
121.96678	1.5
122.07172	39.1
123.07981	4.7
130.06557	4.1
131.04958	1.4
132.08119	5.3
133.02867	18.9
134.03186	0.9
134.07129	1.1
135.04431	17.7
135.08083	1.4
135.11719	7.3
136.08714	6.4
138.03134	0.9
140.08192	5.8
145.10110	1.0
146.07153	1.7
148.07437	0.8
163.03926	68.3
163.07567	1.7
163.08719	1.2
163.09828	30.9
163.11153	3.4
163.12347	4.1
163.14839	52.5
164.04344	1.7
164.10641	0.9
164.11908	1.2
164.15189	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1119
Annotation	Caudoxirene
Peak:m/z	Relative Intensity
51.02362	1.4
53.03943	6.8
55.01871	10.2
55.05505	5.3
55.68081	1.1
56.96558	6.0
63.02362	1.4
65.03928	2.2
67.05189	1.4
67.05509	20.1
69.03421	1.3
69.07076	9.8
70.74182	3.9
77.03937	2.6
79.05498	42.3
81.03409	4.3
81.07058	22.8
83.04975	5.1
83.08616	4.5
89.03921	63.2
90.04211	1.1
91.04920	1.2
91.05482	26.2
93.07044	47.4
95.04972	13.0
95.08603	7.9
97.06516	5.5
103.05479	10.1
105.03439	1.2
105.04522	4.2
105.07024	9.9
107.04957	22.9
107.08598	36.3
109.05791	1.3
109.06514	4.0
115.05418	1.7
116.03142	1.4
117.03384	54.5
117.07015	13.0
119.08603	17.1
121.06512	8.8
121.10155	20.2
122.07270	1.2
128.04919	1.9
129.02246	2.5
130.06561	1.8
130.07762	2.1
131.04932	13.2
132.08073	1.6
133.02852	7.8
133.10118	2.3
135.04417	89.0
135.08037	6.0
135.11687	18.6
136.04750	1.6
137.05420	2.4
145.02853	34.7
145.03926	1.7
145.06461	1.8
145.09099	1.3
145.10144	19.6
163.03911	100.0
163.07539	8.0
163.11182	80.8
163.14775	8.8
163.27469	1.1
164.04271	3.8
164.11552	2.2
173.01306	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02839	0.9
53.03938	3.4
57.03444	33.7
57.07080	33.2
59.04994	3.1
63.02345	1.1
64.03149	1.0
67.05513	8.1
69.03419	3.8
69.69119	4.5
69.69527	2.2
71.04980	3.5
77.03923	1.4
79.05502	12.1
85.06550	31.6
89.03925	74.0
91.05481	2.6
93.07023	1.1
95.04969	9.5
101.06012	2.7
103.05480	14.1
103.07592	46.0
105.03403	1.3
105.04523	1.6
105.06988	1.2
107.04960	16.7
107.08577	2.3
117.03390	60.9
117.07053	2.1
121.06462	1.5
125.13992	1.1
127.07556	2.1
130.06572	1.2
131.04935	15.0
133.02870	3.1
135.04430	100.0
135.08040	2.2
136.04785	2.5
142.91417	1.2
145.02867	45.7
145.03911	2.6
163.03918	91.1
163.07547	7.9
163.11176	2.9
164.04277	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0391
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
52.51757	0.6
52.64551	0.6
53.03954	2.5
63.02353	2.9
64.59966	0.6
69.64855	3.9
77.03934	0.9
79.05499	11.4
80.61370	0.6
84.93184	0.7
89.03920	88.1
90.04249	1.1
91.05478	0.9
95.04964	2.5
97.44984	0.8
103.05472	2.3
105.04535	1.3
107.04958	14.6
108.05290	0.6
117.03383	71.4
118.03712	1.6
121.80672	0.7
131.04922	1.6
132.02071	0.9
135.04419	100.0
136.04785	1.7
145.02855	45.9
145.03868	1.9
146.03220	1.2
163.03912	87.2
164.04234	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0626
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	1.3
53.03950	8.7
55.01870	1.0
55.05519	1.8
57.07043	0.6
65.03960	0.8
66.04725	1.7
67.05509	3.6
69.07062	2.2
69.82268	1.9
69.82684	1.1
72.93802	0.7
77.03931	2.8
78.04711	4.7
79.05497	15.2
80.05016	1.3
81.03417	2.1
81.07056	5.8
83.08638	1.4
89.03921	6.3
90.94823	0.7
91.05484	7.7
92.02634	4.9
92.05017	2.1
93.07047	11.8
94.04199	0.8
94.42689	0.5
95.04971	10.6
95.08604	6.0
100.02493	0.5
103.05489	1.9
104.04996	50.3
105.03419	7.1
105.04539	6.2
105.05782	66.7
105.07012	3.1
106.04279	0.5
106.06599	5.1
107.04956	4.5
107.07376	1.5
107.08595	13.5
108.04476	1.2
109.06580	0.8
110.06004	0.9
113.96404	1.6
115.05495	0.6
117.03372	5.1
117.05758	1.9
117.07022	2.2
118.06548	6.8
119.03660	0.6
119.04945	0.9
119.08614	2.3
120.02121	0.9
120.04475	23.3
121.06509	13.8
121.10148	10.9
123.06811	8.5
130.02884	3.4
130.06532	3.0
130.07762	0.8
131.03290	0.9
131.04933	2.5
131.97446	0.7
132.04462	21.4
132.08098	3.5
133.01843	1.1
133.02873	24.7
133.05237	42.0
134.02385	0.6
134.06099	2.6
135.04419	35.4
135.08055	2.0
135.11685	3.0
136.04793	0.6
137.30927	0.4
138.03117	0.9
145.02847	3.7
145.06473	0.8
145.10153	3.2
146.02390	0.7
148.03940	8.6
149.04735	6.5
162.05518	16.1
163.03912	100.0
163.06076	14.2
163.07585	2.6
163.11171	13.1
163.12338	1.4
163.14835	8.1
164.04300	1.7
164.07085	0.9
183.38326	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.039
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
51.02384	0.7
53.03949	5.2
55.01876	1.3
55.05511	1.9
55.31070	0.4
57.03431	0.4
57.07058	0.8
63.02384	1.5
65.03938	0.8
67.05500	1.9
69.03436	1.3
69.07082	4.3
69.95716	2.2
77.03939	1.4
79.05495	19.8
81.03431	1.4
81.07066	8.2
83.08627	1.4
85.02920	0.7
89.03922	64.0
90.04273	0.9
91.05479	7.8
92.02619	1.2
93.07049	15.5
95.04962	5.2
95.08611	5.3
100.02520	0.6
103.05472	8.9
105.03401	1.6
105.04539	2.3
105.07038	5.0
106.06551	1.3
107.04959	13.6
107.08598	25.9
109.06506	0.9
109.10178	0.5
109.87895	0.4
115.05495	0.5
117.03386	54.6
117.07029	3.4
118.03679	1.2
119.04915	0.7
119.06062	0.6
119.08586	3.2
120.08144	0.5
121.06511	2.3
121.10147	10.0
121.95741	0.5
130.06534	2.0
130.07747	0.8
131.04939	9.2
132.02136	0.4
132.08118	2.5
133.02866	7.3
135.04419	94.0
135.07957	2.0
135.11693	4.6
136.04791	1.5
145.02856	36.8
145.03940	2.3
145.06505	1.6
145.10141	5.2
146.03204	0.9
163.03906	100.0
163.07516	5.1
163.11174	13.6
163.12363	1.3
163.14824	9.5
164.04256	2.1
164.06998	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.039
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03951	3.4
55.01867	0.6
63.02368	1.3
67.09357	0.5
70.54811	1.5
70.55169	0.5
74.01319	0.6
77.03926	1.0
79.05492	11.9
81.07057	0.7
89.03916	77.7
90.04230	0.9
91.05476	4.0
93.03423	0.6
93.07048	1.5
95.04958	3.0
103.05466	12.3
105.04522	2.0
105.07025	1.4
107.04954	16.0
107.08601	2.4
115.05402	0.9
117.03378	69.6
117.07024	1.7
118.03700	1.5
119.08601	1.3
121.06494	0.7
121.10123	1.2
127.52374	0.5
130.06581	0.7
131.04932	15.1
132.08099	1.0
133.02875	1.4
133.06480	0.5
135.04413	100.0
135.11658	0.9
136.04747	1.0
145.02850	41.8
145.03914	2.5
145.06500	1.7
145.10132	0.8
163.03897	85.3
163.07541	7.9
163.11189	2.9
163.14786	0.5
164.04224	2.1
164.07065	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.0915
Annotation	Boschniakine
Peak:m/z	Relative Intensity
52.03222	0.2
53.03958	1.0
55.01903	0.3
58.23953	0.2
69.07074	0.3
69.49768	1.0
69.50183	0.6
70.63103	0.2
72.98890	0.2
77.03944	0.4
77.11409	0.2
79.05509	1.6
79.20002	0.2
80.24210	0.2
81.07062	0.4
88.47886	0.2
89.03943	0.4
91.05475	1.8
92.02656	0.3
92.05815	0.3
93.07040	1.5
95.04979	1.0
98.20774	0.5
105.03404	0.6
105.04533	0.5
105.07001	1.3
106.07356	0.5
107.04939	0.4
107.07879	0.6
107.08591	7.8
107.09306	0.5
109.06525	0.3
109.91260	0.2
115.05476	0.8
117.03414	0.5
117.07018	6.9
119.07307	0.5
119.08574	2.3
120.08096	0.7
120.08930	0.7
121.10198	0.3
130.06497	0.4
132.08109	0.6
133.02864	3.0
133.06502	3.8
133.07504	0.4
134.09651	16.3
135.04427	3.4
135.09923	0.4
144.08084	2.9
145.02859	0.3
145.06505	1.1
146.06007	2.5
147.06793	41.3
148.07127	0.8
162.09138	100.0
163.03894	10.6
163.05264	0.5
163.09451	2.2
163.10994	0.4
163.14790	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.0915
Annotation	Boschniakine
Peak:m/z	Relative Intensity
52.85170	0.7
53.03957	1.1
58.99590	1.3
59.89241	0.6
60.02448	0.6
64.55363	0.8
69.07087	1.2
69.59708	0.6
69.75240	2.4
69.75639	1.7
79.05493	5.0
81.07037	0.9
86.99046	1.2
89.03922	12.3
91.05479	9.4
91.05945	0.8
93.07064	3.0
95.04957	0.7
98.21555	0.7
103.05502	2.3
105.07043	4.5
106.06611	0.7
106.07342	1.4
107.04987	3.7
107.08598	51.6
109.06528	0.8
115.05460	7.1
116.01669	1.4
117.03384	12.2
117.07021	50.7
118.06573	1.1
118.07354	1.6
119.06080	0.8
119.08585	24.4
120.08125	11.1
120.08922	1.4
121.10139	1.1
131.04916	1.2
132.08090	0.8
133.02861	1.1
134.09659	100.0
135.04417	20.8
135.09978	2.4
136.54321	0.7
144.08102	5.6
144.99857	0.7
145.02870	8.4
145.06482	10.9
145.10112	0.8
147.06783	3.3
162.05486	1.9
162.09140	47.9
163.03909	18.2
163.07579	1.6
163.09489	1.1
163.11185	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.0913
Annotation	Boschniakine
Peak:m/z	Relative Intensity
50.51101	0.3
52.58659	0.3
53.03977	0.5
59.96754	0.3
62.12505	0.3
62.20602	0.3
70.55106	0.8
78.83521	0.3
79.05502	0.8
89.03954	0.3
91.05517	1.0
93.07066	0.4
95.04990	0.6
105.03429	0.4
105.07056	0.8
107.08595	6.5
107.09312	0.4
115.05463	0.6
117.07018	7.3
118.06506	0.4
119.07332	0.5
119.08595	1.8
120.08114	0.8
121.10217	0.4
130.06516	0.6
133.02856	1.9
133.06503	3.6
134.09654	14.5
135.04427	2.4
135.10039	0.4
144.08080	3.7
145.06477	0.9
146.05994	2.9
147.06793	41.4
148.07132	1.1
150.35588	0.3
162.09140	100.0
163.03905	7.0
163.09500	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.1
55.05513	8.9
57.07076	1.1
62.99084	5.3
65.03933	1.0
67.05515	4.5
69.03427	1.7
69.06740	0.8
69.07080	10.6
71.48759	1.0
71.49178	1.0
72.27174	0.7
78.93122	1.1
79.05502	9.9
81.07064	17.6
83.68356	0.7
90.35596	0.7
91.05491	31.3
93.07048	11.1
95.04964	1.4
95.08604	2.7
100.84116	0.8
101.23238	0.8
103.05472	2.7
105.03399	3.0
105.07039	100.0
106.07346	1.4
107.04991	1.0
107.08643	4.6
113.02391	0.8
113.50515	0.7
115.05453	4.4
117.07024	17.1
118.04143	1.8
118.07788	1.3
119.08590	97.6
119.95746	2.2
120.08885	1.2
120.09324	0.7
121.06506	0.9
121.10156	2.3
128.06242	3.4
131.08571	6.8
132.09383	1.1
133.02856	2.8
133.06490	3.5
133.10138	48.4
133.59343	0.8
134.10579	0.9
143.08556	6.0
145.10106	1.1
146.03613	1.4
146.07281	2.4
146.10893	2.0
159.11702	3.2
161.02371	1.2
161.06004	10.6
161.09659	22.1
161.13268	86.4
162.13666	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1326
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03951	0.8
55.05513	5.5
57.72395	0.3
59.67809	0.2
62.66822	0.2
65.03963	0.4
67.05505	1.3
69.07072	6.1
71.49339	0.5
77.03899	0.4
77.40067	0.3
79.05495	3.5
81.07060	4.4
88.73226	0.3
91.05484	10.6
93.07049	3.8
95.05009	0.5
95.08590	0.7
101.95052	0.4
103.05443	1.6
104.06248	0.6
105.03417	0.4
105.07036	47.4
106.07330	0.6
107.08591	1.4
115.05475	1.2
117.07024	4.7
118.04160	0.4
119.08586	100.0
120.08894	1.6
121.10133	0.8
128.06230	0.6
130.07794	0.3
131.08562	3.6
132.09363	0.9
133.02863	0.6
133.06487	0.6
133.10139	21.3
134.10478	0.6
143.08577	0.6
144.09340	0.9
145.10150	0.9
146.03627	0.4
146.07390	0.3
146.10931	1.6
159.11711	3.1
161.02405	0.4
161.06026	1.7
161.09662	3.8
161.13263	61.8
162.13594	1.8
169.22229	0.3
184.74811	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1325
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
55.01877	0.7
55.05525	1.8
58.54419	0.3
61.52230	0.3
67.05505	0.6
69.07061	1.3
69.25502	2.8
74.84238	0.3
75.67870	0.3
78.93134	0.4
79.05511	1.7
81.07057	1.8
81.58626	0.3
91.05492	8.7
93.07049	1.8
95.04913	0.5
95.08609	0.3
96.29857	0.3
96.54887	0.4
103.05440	0.9
104.06233	0.5
105.07037	27.3
105.96034	0.3
107.08614	1.0
113.02326	0.3
115.05453	0.8
117.07024	3.1
118.07793	0.3
119.08588	100.0
119.95773	0.5
120.08891	1.9
121.06531	0.4
121.10141	0.8
128.06223	0.9
131.08543	2.0
133.06519	0.8
133.10139	13.1
134.10431	0.5
143.08586	1.5
145.10165	0.4
146.10912	0.7
159.11713	0.8
161.05994	1.0
161.09631	4.3
161.13274	18.5
162.13660	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56982	1.0
53.03941	3.3
55.01871	7.9
55.05511	5.4
56.96564	1.2
57.46101	0.9
58.01326	0.9
58.25978	0.9
65.03936	2.8
67.05510	14.9
69.03419	3.3
69.07056	3.7
71.20643	0.9
71.49020	1.3
73.02937	1.0
77.03951	1.3
78.93124	4.4
79.05495	22.5
81.03430	1.4
81.07053	10.2
83.04977	2.2
87.00813	1.7
89.03925	1.3
91.05485	74.9
93.07038	9.6
95.04968	4.7
95.08601	2.3
96.94186	1.4
101.95041	1.7
103.05456	3.1
103.46344	1.0
105.03415	6.2
105.07036	100.0
106.06598	1.1
106.07362	2.1
107.04958	70.5
107.08575	3.2
108.05267	1.0
113.02361	1.2
115.05464	11.6
117.07028	31.3
118.04141	2.7
119.04964	4.8
119.08586	80.2
119.95728	4.5
120.08882	1.3
121.06466	1.8
127.94440	1.0
128.06239	13.0
131.04869	1.6
131.08571	9.5
132.05722	2.7
133.02843	4.9
133.06512	13.5
133.07494	1.8
133.10135	53.1
134.09637	1.2
140.27759	0.9
143.04967	1.3
143.08571	18.5
145.06473	2.4
145.10159	1.1
146.03618	5.1
146.07263	6.1
146.10909	1.4
159.11710	2.3
161.02347	4.4
161.05989	22.0
161.09625	93.1
161.13263	44.5
162.10074	2.0
172.43077	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
55.01870	0.8
58.89622	0.6
67.05509	1.2
69.03429	1.6
69.07037	0.6
79.05495	2.4
81.07037	1.5
91.05487	7.7
93.07071	3.1
95.08608	0.6
101.41687	0.5
103.05482	1.1
105.07037	41.4
106.07327	0.9
107.04942	2.0
115.05439	1.0
116.47255	0.6
117.06997	2.0
119.08594	9.1
120.05605	0.8
121.06505	15.8
122.06785	0.6
126.05339	0.5
128.06226	4.2
131.04926	2.6
131.08560	2.1
132.05699	1.5
133.06514	3.4
133.10136	25.6
134.10521	0.7
143.08554	3.3
145.06458	3.4
146.07268	27.1
159.08031	1.3
161.09621	100.0
161.13232	8.8
162.09993	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	161.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90506	0.6
53.03942	0.8
55.01872	1.4
55.05500	1.6
61.62329	0.5
65.03938	0.6
67.05515	3.1
69.03429	6.5
69.07043	1.6
69.64678	1.3
69.65070	0.9
70.73928	0.5
73.57732	0.5
78.93114	0.8
79.05486	5.5
79.94703	0.5
81.07059	5.1
84.71600	0.5
91.04907	1.0
91.05484	20.4
93.07053	6.8
95.04951	0.6
95.08606	2.4
95.09892	0.5
102.18645	0.5
103.05454	1.2
105.07035	53.0
106.07371	1.1
107.04965	2.3
107.08620	1.4
115.05469	2.2
116.06190	0.8
117.07025	5.2
118.07787	0.6
119.04923	0.7
119.08588	25.2
119.95708	0.7
120.08872	0.5
121.06508	15.1
127.20052	0.5
128.06216	7.6
131.04948	3.1
131.08542	3.1
132.05714	1.1
133.06522	4.1
133.10136	34.0
143.08565	10.2
145.06461	3.7
146.07274	28.2
146.08292	0.5
159.08055	1.9
161.06067	3.2
161.09624	100.0
161.13257	18.5
162.09981	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	161.0297
Annotation	Unknow
Peak:m/z	Relative Intensity
71.06874	0.4
82.99844	6.7
83.99930	0.3
98.97585	0.6
99.49221	0.2
100.02502	0.3
101.00888	50.9
101.95045	0.5
102.00942	1.9
102.96865	0.2
103.00662	0.2
106.96590	0.4
111.00435	0.5
115.97108	0.2
119.01927	100.0
120.02002	3.6
121.01595	0.2
121.02381	0.4
124.97570	0.6
125.02597	0.3
127.47855	0.6
133.98105	0.5
136.48392	0.8
137.02963	15.6
137.48283	0.3
138.03084	0.7
142.03479	1.1
143.01848	0.5
143.03683	1.3
144.03284	0.4
145.48962	1.0
161.02969	4.6
161.04163	0.3
179.04025	5.2
179.05602	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0297
Annotation	Unknow
Peak:m/z	Relative Intensity
63.80982	0.2
70.60582	0.2
70.60938	0.6
82.99848	6.0
83.99921	0.4
98.97553	0.4
100.02489	0.4
101.00888	52.3
101.95026	0.4
102.00958	2.3
102.96887	0.3
103.00598	0.2
103.01325	0.2
106.96572	0.3
111.00453	0.4
115.97093	0.2
119.01927	100.0
120.02018	3.8
121.02390	0.4
124.02454	0.5
127.47887	0.5
136.48380	0.6
137.02966	15.2
138.03032	0.5
142.03519	0.9
143.01924	0.6
143.03648	1.7
145.48900	0.8
146.98265	0.2
160.76361	0.2
161.02960	5.6
161.04158	0.4
162.04396	0.3
179.04002	4.5
180.04192	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0757
Annotation	2721-59-7
Peak:m/z	Relative Intensity
53.03938	1.4
55.01867	1.5
55.05515	1.1
55.37552	0.9
56.05019	1.5
56.96571	6.2
59.92814	1.8
59.93110	32.2
68.05031	1.1
68.58067	0.9
69.03424	2.1
70.06580	2.8
71.48026	1.7
72.08179	1.2
73.08523	1.1
74.95439	2.4
76.93362	3.7
77.93414	0.9
77.94144	11.4
79.05479	1.8
82.06552	1.0
85.02886	1.7
91.05480	7.8
95.95184	8.5
96.04479	1.9
96.08138	2.0
97.02877	2.4
98.97565	4.3
99.97926	2.8
100.95715	2.7
100.97182	1.3
101.00887	1.8
101.95034	7.5
103.05476	1.9
105.07036	14.1
106.07511	1.0
113.02347	2.6
114.05504	2.7
114.09165	9.5
115.05445	14.0
116.05006	1.6
116.05775	7.4
116.97247	1.7
116.98650	4.7
117.05778	11.9
117.07040	1.4
117.98923	2.2
118.06586	44.6
118.96770	100.0
119.01917	9.7
119.06815	0.9
119.96023	3.0
119.96856	1.3
125.02328	1.4
128.06201	3.4
130.06549	9.8
131.06920	10.2
132.04463	5.8
132.07085	2.5
132.08092	48.2
133.06467	3.3
133.08438	52.5
133.99101	6.3
135.99956	1.1
136.95399	9.9
137.02953	1.3
141.98372	1.5
142.02216	2.4
142.03487	2.8
142.06546	7.9
142.08595	1.3
143.06863	14.2
143.08540	2.3
150.95740	11.2
154.59166	1.9
154.96461	37.2
159.06825	1.9
159.08784	1.2
160.04016	1.8
160.07578	67.0
160.09531	48.0
160.11172	6.5
160.14145	3.1
161.05943	2.6
161.07909	7.9
161.09499	1.8
164.71436	1.1
172.97537	4.8
175.08455	1.3
177.98045	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	160.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96770	0.2
51.16766	0.2
55.01877	0.2
56.96566	0.4
59.93102	0.5
65.03930	0.7
69.07046	0.3
70.06578	0.3
72.93777	0.2
76.93363	0.3
77.93421	0.2
78.93123	0.2
79.05478	0.9
81.07055	0.4
90.03437	0.8
91.05479	0.7
92.05003	2.8
93.07020	0.2
96.08141	0.2
99.97876	0.2
103.05448	0.4
105.03432	0.2
105.04522	3.2
105.07029	3.7
114.05493	0.3
114.09190	1.0
114.12806	0.3
115.05441	1.1
117.05769	0.4
117.07028	0.3
117.95969	0.2
118.04163	0.4
118.06556	2.1
118.96774	2.1
119.08568	2.0
121.02804	0.3
130.06491	0.4
131.04921	0.5
131.07281	0.2
132.05583	14.0
132.08084	0.7
132.08943	0.3
133.06580	0.8
133.10136	0.7
135.05521	2.1
136.95476	0.2
137.05905	0.2
142.02156	0.3
142.08594	0.2
143.06154	0.2
146.03638	0.4
154.96474	0.6
160.05070	100.0
161.05736	1.8
161.09630	0.5
161.13332	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.117
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
56.96568	0.5
65.03932	0.6
67.05500	1.8
68.01209	0.3
69.84509	0.7
69.84907	1.9
73.26962	0.5
76.93372	2.7
79.05488	1.0
87.00829	1.3
91.04977	0.8
91.05492	7.4
93.07104	0.7
94.94424	0.5
98.97593	1.1
103.05450	0.8
105.07041	15.0
113.02351	0.6
115.05466	2.8
116.06225	1.3
117.01859	1.1
117.07027	15.4
117.95978	3.3
119.08592	11.9
128.06219	2.9
129.07019	20.2
130.07811	6.9
131.08580	31.7
132.08922	0.9
135.97043	1.0
141.01846	2.8
142.07793	2.3
143.08589	2.1
144.09357	33.4
145.09756	0.6
157.10124	3.8
159.11705	100.0
160.12025	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	159.1494
Annotation	N-Nitrosodi-n-butylamine
Peak:m/z	Relative Intensity
57.07077	7.5
59.93102	0.3
60.08168	5.2
61.04054	43.6
70.37534	0.8
74.09698	0.3
76.93380	1.1
86.06068	0.9
87.00845	0.7
88.12344	0.2
91.05509	0.9
94.94386	0.3
98.97602	0.9
103.08710	100.0
104.09056	0.7
104.21809	0.3
105.07017	1.6
113.02361	0.5
116.53061	0.2
117.01883	0.6
117.07039	1.5
117.96002	1.1
119.08604	0.6
129.07024	0.8
130.07803	0.5
131.04912	0.4
131.08583	3.0
134.56204	0.2
135.97095	0.5
141.01784	1.4
144.09363	1.8
145.10165	0.4
157.10100	0.4
159.08130	1.4
159.11694	6.6
159.14937	9.6
160.11855	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	0.3
55.05525	0.3
56.96562	0.5
65.03956	0.6
67.05502	2.1
69.17342	2.5
76.93375	3.5
79.05489	1.0
81.07061	0.6
87.00832	1.0
88.01901	0.3
91.05482	7.4
93.07034	0.3
94.94422	0.7
98.97562	0.4
103.05441	0.6
105.07035	14.3
106.07378	0.3
106.29601	0.3
107.08603	0.3
113.02384	0.8
115.05450	2.6
115.87846	0.3
116.06213	1.3
117.01855	1.1
117.07023	12.6
117.95995	3.3
118.96726	0.4
119.08587	13.5
123.83514	0.3
128.06239	2.3
129.07010	19.5
130.07806	5.7
131.08574	25.5
132.08932	0.7
133.96754	0.3
135.97011	0.9
140.69257	0.3
141.01834	2.0
142.07765	2.6
143.08571	2.1
144.09349	30.7
145.09691	0.9
157.10126	3.3
159.08243	1.5
159.11696	100.0
160.12038	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	159.117
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
50.31362	0.4
56.96558	1.2
64.16696	0.5
64.93970	0.5
67.05493	2.1
69.78419	0.5
71.29262	1.0
71.95259	0.6
76.93377	4.1
79.05487	0.6
81.07052	1.4
87.00829	1.5
91.05492	7.1
94.94418	1.4
98.97596	5.6
103.05501	1.2
105.07038	14.5
108.26830	0.5
108.99849	0.5
113.02367	0.9
115.05474	3.0
116.06267	1.2
116.98608	1.5
117.01834	1.3
117.07028	18.3
117.07863	0.9
117.96000	5.5
118.96733	0.6
119.08587	9.9
128.06203	1.9
129.07014	16.2
130.07788	6.3
131.04980	0.7
131.08582	31.0
132.08052	0.9
132.08963	0.7
135.97023	1.3
141.01837	4.5
141.06947	0.7
142.06645	0.5
142.07794	1.3
143.08578	0.9
144.09354	25.0
157.10170	2.9
159.08192	2.4
159.11702	100.0
160.12056	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	159.0806
Annotation	1-Methoxynaphthalene
Peak:m/z	Relative Intensity
53.03951	0.2
56.96558	0.3
59.93097	0.3
66.26653	0.2
67.05495	0.8
70.15601	0.5
70.15996	0.5
76.92961	0.3
76.93373	4.0
79.05479	0.4
81.07037	0.4
87.00830	0.5
91.05486	7.9
94.94406	0.8
98.97589	0.8
103.05458	0.8
103.08690	0.5
105.07036	4.0
113.02366	1.1
115.05456	3.0
116.06255	2.6
116.98598	0.4
117.01838	0.4
117.05738	0.8
117.07027	4.5
117.95991	4.1
118.06541	0.2
118.96799	0.4
119.08582	1.9
128.06224	0.4
129.07002	3.6
130.06535	1.7
130.07755	1.6
131.04932	0.6
131.06949	0.5
131.08574	10.5
132.08093	5.3
132.09024	0.5
135.97023	1.1
141.01839	2.7
141.07001	0.9
142.06523	1.4
142.07687	0.4
143.08534	0.5
144.05710	3.1
144.09352	5.3
155.45395	0.3
157.10161	0.8
158.07291	0.6
159.08060	100.0
159.09073	4.9
159.11674	19.0
160.08586	1.5
160.12056	0.5
164.27431	0.2
169.07576	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.0
55.01859	3.4
55.05487	1.0
56.02180	1.4
56.05037	8.6
56.96567	4.4
57.03427	3.2
57.93558	2.3
58.06590	1.8
65.40927	0.8
67.05496	3.5
68.05022	9.7
69.03419	3.9
70.04066	2.5
70.06590	15.8
71.01350	0.9
71.04991	2.7
71.34084	0.9
71.48503	0.9
72.04515	1.7
72.08179	1.1
74.06076	1.0
75.94614	1.1
79.05482	3.3
80.05022	7.2
81.03461	2.1
81.07050	2.8
84.04527	4.1
84.08154	4.8
85.02912	4.0
86.06068	35.7
87.04472	1.7
93.07068	2.1
93.95628	0.9
94.06559	7.9
95.06094	2.0
95.08592	2.5
97.02869	1.3
97.06550	2.6
98.06059	4.5
98.97582	8.3
99.04504	1.1
100.02483	1.7
102.09174	2.4
103.00659	1.4
110.06048	0.9
110.07196	1.0
111.04409	1.4
111.05554	2.4
112.07609	21.1
112.08720	2.3
113.02332	1.3
113.04897	0.9
114.05533	100.0
116.07085	2.1
116.97233	8.2
116.98585	5.0
117.02014	1.1
118.03468	1.3
119.01927	4.3
121.01720	5.6
122.05991	1.5
122.09638	1.1
123.05555	2.5
123.08096	1.4
127.00284	2.4
130.08679	0.9
131.01913	1.3
134.99651	1.5
135.03214	3.4
139.02715	1.0
140.07063	12.7
140.10754	1.1
141.01782	5.0
141.09061	1.1
143.07310	0.9
144.03366	1.9
145.03409	0.8
152.96928	2.9
153.04314	1.0
158.05655	1.0
158.08136	7.8
158.09639	29.6
158.11659	5.2
158.14098	0.9
158.15378	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	158.9966
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79180	0.2
54.98647	0.3
55.05507	0.3
56.96568	19.4
57.03427	0.4
57.93569	0.4
59.93110	0.7
60.95872	0.2
61.02923	0.3
62.65606	0.2
65.16609	0.3
68.99780	0.2
69.03438	0.7
69.95724	1.0
70.06590	0.7
70.98126	0.3
71.05005	0.4
71.95267	5.8
72.93800	0.2
73.02921	0.2
73.95695	0.4
75.94587	0.3
76.93372	1.8
81.03422	0.4
82.01442	0.3
84.96025	0.8
85.02922	0.7
91.05482	0.9
97.02872	0.3
97.23061	0.2
97.25447	0.2
97.99203	0.3
98.09695	0.3
98.78467	0.2
98.97589	100.0
99.04478	0.4
99.05594	0.5
99.97915	3.6
100.02470	0.3
100.97174	0.2
101.00858	0.7
102.53138	0.3
109.02871	0.2
111.53613	0.5
112.07602	0.8
113.02369	0.7
113.07916	0.3
114.98251	0.2
115.02429	0.3
115.05470	0.2
116.06219	0.3
116.98624	45.6
117.96014	1.3
117.97626	0.4
117.98969	1.6
118.96764	1.6
119.01908	1.1
126.02551	0.2
127.00247	0.3
128.00790	1.2
128.98630	0.2
129.07030	0.3
130.08635	0.4
131.00160	0.2
131.08589	1.2
133.03482	0.3
134.99664	12.7
135.03117	0.2
135.95699	0.5
135.96954	0.3
136.00002	0.7
140.00201	0.8
140.98573	0.3
141.01839	2.4
142.03514	0.5
142.06580	0.2
144.05663	0.3
150.05455	0.3
150.09219	0.3
153.00749	0.9
153.96696	0.7
154.96466	0.5
156.03291	0.3
158.01299	0.5
158.99701	1.1
159.02959	0.3
159.06767	0.6
159.08008	0.7
159.09164	0.2
159.09895	0.2
159.11664	0.4
160.09714	0.4
161.02957	0.3
173.01335	0.2
177.00699	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17580	0.3
55.05275	0.5
55.05515	6.6
57.05817	0.5
57.19934	0.4
61.04050	5.7
70.26870	1.2
72.08158	45.6
73.08488	0.4
74.20547	0.3
74.93825	0.4
77.71147	0.3
78.01918	0.3
103.08711	0.5
103.51585	0.4
115.08695	45.0
116.09035	0.7
116.97234	0.7
133.95981	0.5
151.97163	0.4
157.13367	100.0
158.13733	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64719	0.3
52.13916	0.3
56.96563	1.1
57.03440	0.5
57.64414	0.3
58.99838	0.4
60.08167	20.4
64.47764	0.3
68.05029	5.2
69.03453	0.8
70.06606	0.4
70.43317	1.2
71.05006	0.5
71.95267	0.4
72.01376	0.3
72.93804	0.4
73.02927	0.4
81.03436	0.6
82.01446	0.4
82.99839	0.6
85.02904	0.4
86.06078	0.5
91.05482	3.8
94.99813	0.6
95.06095	100.0
96.06391	0.8
98.84687	0.3
98.97583	0.7
100.02484	0.8
101.00875	2.0
112.99131	0.8
113.00870	9.7
119.01929	2.0
119.04966	1.9
124.02499	0.4
131.01912	19.7
133.03389	0.6
136.02545	0.7
136.03699	0.3
137.05983	8.4
138.09178	0.5
145.03448	0.4
149.01178	0.4
149.02927	1.7
154.03514	2.9
154.04695	0.5
154.13397	55.6
155.01912	0.7
155.13725	1.2
172.98065	0.4
173.03011	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.0864
Annotation	Vanillylamine
Peak:m/z	Relative Intensity
52.78891	0.2
55.01884	0.5
56.96570	3.4
57.03445	0.7
58.99873	0.3
60.08169	9.0
60.95848	0.2
65.03932	1.4
68.05029	2.7
69.03435	0.6
69.96175	0.4
70.06598	0.7
70.94265	0.3
71.02991	0.2
71.04974	0.2
71.48208	0.3
71.95261	0.5
72.08161	0.2
73.02923	0.5
74.24058	0.2
79.05489	0.6
81.03429	0.4
81.04549	1.2
81.07068	0.9
81.51470	0.2
82.01459	0.5
82.99838	0.4
85.01392	0.2
85.02898	0.7
86.06068	0.8
91.02347	0.5
91.05486	40.8
92.05824	0.8
94.99829	1.0
95.06097	42.7
96.04501	1.4
96.06444	0.4
97.02892	0.3
97.99171	0.2
98.01337	0.3
98.97581	1.6
100.02531	0.4
101.00887	1.8
103.02422	0.3
109.06504	2.2
110.06003	0.3
110.97592	0.4
112.99163	0.9
113.00873	13.6
113.03474	0.3
114.00964	0.3
114.04042	0.5
116.98670	0.3
119.01945	1.6
119.04948	26.6
120.05302	0.6
122.07141	0.3
124.32713	0.3
130.96320	0.3
131.00204	1.2
131.01913	24.8
131.96107	0.7
132.01999	0.9
132.05092	0.3
133.03455	0.3
136.02449	1.1
137.05984	100.0
138.06340	2.3
138.09143	1.0
142.03528	0.6
145.01706	0.3
149.01172	0.9
149.02966	1.8
154.03494	3.8
154.08629	0.6
154.13399	21.2
155.01860	1.1
155.13742	0.5
157.66605	0.2
159.12198	0.3
163.02802	0.3
168.42827	0.2
171.02542	0.6
172.04518	0.3
173.02966	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
50.12240	2.7
53.03957	5.9
55.01867	9.0
55.05318	2.2
55.05513	24.9
57.03430	6.1
58.06565	2.3
59.04994	10.1
59.40871	2.7
64.97613	2.5
65.03614	4.4
65.03944	65.1
67.05502	19.2
68.96339	6.3
69.03448	13.4
69.07069	22.4
70.64436	5.3
70.64803	5.2
70.94263	38.7
70.95865	13.5
71.04996	35.7
73.06567	17.0
77.03909	2.1
79.05498	50.7
81.03406	4.7
81.07063	100.0
83.05000	20.3
83.08608	4.3
85.02892	3.6
88.95285	8.0
88.96884	3.7
91.05499	23.1
93.03410	60.8
93.07046	67.8
95.04964	21.1
95.08610	17.4
97.02902	4.6
97.06542	32.4
105.07028	8.0
107.04971	18.5
107.08602	72.0
107.73512	2.3
108.05313	3.9
109.06526	7.9
109.10175	20.2
110.03683	12.5
111.04450	76.1
111.08099	21.9
111.96870	22.5
111.98512	2.9
125.02340	4.1
125.06002	42.0
125.09641	8.6
126.05581	3.0
126.46756	3.1
129.97891	8.3
130.96326	12.4
135.04427	9.6
135.08072	14.5
135.11705	31.1
137.06042	3.2
148.97365	11.3
153.01837	8.3
153.04247	4.5
153.05441	29.7
153.06635	4.4
153.09123	18.8
153.12779	22.3
153.13881	3.7
154.05025	6.9
154.08603	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	cis-Citral
Peak:m/z	Relative Intensity
53.03951	2.4
55.01875	30.7
55.05515	18.1
57.03428	3.7
57.07074	2.6
59.05006	2.6
59.13224	0.7
59.15047	0.7
65.03938	7.8
67.05509	15.0
68.99799	2.8
69.03436	2.9
69.07071	14.8
69.98346	0.7
70.94260	8.5
70.95869	3.1
71.05001	3.8
71.29107	1.4
78.14361	0.8
79.05497	19.5
81.03416	1.1
81.07057	15.4
83.04984	100.0
83.08625	8.2
85.06541	2.7
88.95300	1.6
91.05478	4.5
93.03413	6.4
93.06525	0.5
93.07050	22.2
95.04986	4.6
95.08612	10.1
97.06532	36.1
101.00887	0.8
105.07036	1.8
107.04971	1.4
107.08595	16.6
108.57537	0.8
109.06538	1.3
109.10148	9.4
110.03701	1.3
111.04449	7.1
111.08091	5.1
111.96888	5.5
123.11698	1.1
125.06013	4.4
125.09657	2.6
129.97905	2.2
135.04411	1.0
135.08081	2.7
135.11690	7.0
136.36819	0.7
148.97400	0.7
153.01891	1.1
153.05464	3.7
153.06709	1.1
153.09210	3.2
153.12752	52.8
154.13080	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00296	1.7
53.03941	6.1
54.74487	1.1
55.01870	3.4
55.05273	1.6
55.05516	15.5
57.03420	3.4
57.07069	2.1
58.99588	1.8
59.04997	6.3
65.03944	29.1
67.05511	11.9
68.96324	4.2
69.03429	3.7
69.07069	11.0
69.62215	7.0
69.62633	2.3
70.94270	14.9
70.95871	6.0
71.04998	30.1
73.06557	21.3
77.03940	1.5
79.05497	39.2
81.07061	100.0
83.04992	5.7
83.08619	2.4
85.02907	2.0
85.06551	1.6
88.95316	2.9
91.05481	16.0
93.03413	29.5
93.07047	56.0
95.04978	15.0
95.08607	11.2
97.02924	1.5
97.06538	14.8
98.21518	1.6
105.04458	1.6
105.07068	6.6
107.04957	11.8
107.08603	48.5
108.05301	1.2
109.06525	4.5
109.10164	11.0
109.98937	1.8
110.03643	4.5
111.03220	1.3
111.04449	32.7
111.08088	9.8
111.96883	7.0
117.06998	1.4
125.02338	1.2
125.06004	22.5
125.09621	4.2
129.97942	3.5
130.96304	5.9
135.04413	4.2
135.08052	6.9
135.11696	22.0
137.06021	1.3
138.03110	3.1
142.80402	1.4
148.97395	4.9
153.01849	1.3
153.05478	15.4
153.06648	2.0
153.09065	6.8
153.12764	11.6
153.13853	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	cis-para-Mentha-2,8-dien-1-ol
Peak:m/z	Relative Intensity
53.03942	1.7
53.94012	1.0
54.80469	0.9
55.01878	7.4
55.05516	11.4
57.03445	4.5
57.07064	2.2
58.44904	1.1
59.05008	1.8
65.03951	7.0
67.05512	35.5
69.03429	2.4
69.07075	54.0
70.93894	1.0
70.94263	20.4
70.95882	6.9
71.04984	2.2
71.48869	1.4
71.94099	2.0
71.95259	1.5
79.05499	27.1
81.07061	37.8
83.05000	6.6
83.08627	6.1
85.02901	1.0
85.06563	1.8
88.95316	4.4
88.96911	1.2
91.05472	4.7
93.03403	4.9
93.07050	49.4
95.04961	2.8
95.08611	19.4
97.06533	20.8
105.06988	1.5
107.04954	1.4
107.06105	0.9
107.08604	51.2
108.08942	1.3
108.34519	0.8
109.06539	1.5
109.10164	33.0
110.03676	2.0
111.04465	8.4
111.08086	7.2
111.11726	1.0
111.96874	10.4
111.98493	1.0
112.96710	1.1
125.06010	6.1
125.09624	6.0
126.06332	2.0
129.97945	4.4
130.96323	0.8
135.04483	1.5
135.11702	100.0
136.12013	2.1
137.05937	0.8
152.99510	1.3
153.05553	4.5
153.06529	0.9
153.07332	3.3
153.09128	1.8
153.12752	81.7
154.13121	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0569
Annotation	Guanine
Peak:m/z	Relative Intensity
50.47060	0.2
53.03933	0.4
55.02995	0.3
55.05508	0.3
56.05024	0.6
56.96571	3.4
57.03437	1.8
61.02919	0.3
64.14960	0.3
65.03947	0.3
68.98286	0.4
69.67712	0.8
69.68127	0.8
70.77182	0.2
70.99847	0.8
71.95268	0.3
72.61478	0.2
73.01431	0.6
73.02932	0.4
74.02930	0.3
79.05493	1.7
81.03413	0.7
82.01440	0.9
82.04066	0.7
85.01408	0.6
85.02890	0.7
86.51791	0.3
89.00791	0.4
91.02451	0.8
95.04969	0.3
97.01395	0.6
98.01321	0.4
98.97586	1.1
100.02490	0.7
101.00868	1.7
101.01567	0.4
102.01006	0.4
103.00634	0.5
103.02442	1.0
106.06569	3.0
107.04966	13.9
108.05264	0.3
109.02892	1.1
109.03552	0.3
109.05150	1.8
110.01254	0.4
110.03534	14.7
110.97574	4.2
110.99317	0.5
111.02060	0.5
114.04032	0.6
115.02442	1.9
116.02538	0.4
117.02193	0.6
119.01910	1.8
121.01703	0.5
123.04375	0.3
124.01852	0.3
125.02644	0.3
126.52264	0.4
128.04573	3.1
128.98615	3.2
129.00310	1.7
129.02196	0.5
129.03996	1.6
131.01889	0.6
133.03516	1.0
134.04645	1.1
134.06026	3.5
135.03040	32.4
135.04410	6.0
136.01422	0.9
137.02931	0.3
140.03206	0.5
143.01929	0.4
145.03456	0.3
146.99655	0.6
147.01408	2.8
147.03229	1.0
147.05029	1.3
149.03775	0.3
149.53873	0.3
152.05693	100.0
152.07031	6.1
152.47047	0.3
153.04086	23.7
153.06058	0.8
154.02415	0.4
154.04468	0.4
155.31157	0.3
161.02937	0.3
170.03001	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0628
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02329	0.3
53.03920	0.3
55.01826	0.4
55.05438	0.7
56.96525	0.4
65.03880	0.9
67.04179	0.2
67.05434	2.4
69.03392	0.3
71.48338	0.4
72.61774	0.2
78.04713	2.2
79.05492	2.1
80.05021	14.7
80.05458	0.5
80.06239	0.4
81.03372	0.4
81.05752	0.3
81.07064	2.1
82.06522	1.0
90.26002	0.2
91.05486	4.1
93.07035	1.4
93.70161	0.2
94.06574	25.3
94.50985	0.2
95.01308	0.3
95.03719	1.3
95.04991	2.0
95.07362	29.8
95.08595	2.2
96.07626	0.6
104.04999	0.6
105.05832	1.9
105.07027	3.3
105.94591	0.2
106.04165	1.5
106.06553	2.3
107.04931	1.0
107.08620	1.5
108.02094	0.5
108.04486	11.4
109.06505	1.1
109.10149	0.9
110.06055	1.3
119.04961	1.3
122.06035	100.0
123.04501	1.1
123.06857	36.8
123.08054	1.7
123.11696	0.6
124.07127	0.5
125.52214	0.3
132.04489	0.6
133.06517	0.5
133.10153	1.1
134.06042	0.7
136.05197	0.6
150.05511	15.0
151.02913	0.8
151.03986	2.8
151.06322	30.3
151.07561	2.4
151.11182	1.7
152.05701	0.4
152.07040	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.7
55.01870	7.1
55.16624	1.8
56.05038	3.3
56.96569	100.0
57.03439	33.0
58.06586	5.7
59.05005	14.5
61.01149	2.3
61.02931	38.9
63.02722	17.1
65.61522	1.9
67.05497	5.7
68.00256	6.2
68.02638	2.6
68.98289	9.1
69.03429	16.0
71.01361	1.9
71.04999	17.5
71.47520	3.1
71.95262	4.4
73.02922	31.0
74.00262	7.9
74.97610	4.3
75.01036	2.9
77.00800	7.3
77.12704	1.7
79.05496	5.3
80.00237	2.1
81.01041	8.6
81.03426	15.2
82.00003	1.9
82.01445	8.6
82.03752	4.1
82.99849	2.2
83.00775	8.7
84.01176	2.8
84.04520	2.3
84.96029	6.6
85.01438	3.3
85.02906	25.1
86.03702	4.5
86.07557	1.9
86.99325	6.9
87.01057	7.1
87.99975	2.7
88.02680	2.5
89.00784	22.1
89.01721	2.2
89.06039	9.1
90.01555	8.5
91.05469	13.6
92.00237	3.2
92.01331	2.4
94.51568	3.7
94.93026	14.9
95.00782	12.0
95.01321	3.1
95.03441	3.2
95.04962	5.6
95.08658	2.7
95.53484	3.3
96.01570	14.0
96.03348	2.5
97.00513	3.1
97.01381	2.8
97.02890	13.3
97.96815	2.2
97.99181	4.7
98.01279	15.1
98.97591	85.2
99.04463	9.3
99.97962	2.7
100.00076	2.6
100.02493	15.2
100.05247	3.0
101.00842	20.3
101.02561	5.0
102.01007	2.4
102.02258	3.4
103.00630	5.0
104.01299	8.6
105.00372	4.2
105.05607	2.4
106.06586	5.5
107.01817	2.9
107.04953	8.8
109.02895	7.5
109.06458	2.3
109.10146	4.7
109.53257	3.0
110.01298	43.1
110.03519	9.3
110.51476	3.4
110.97579	28.0
111.02097	3.1
111.02914	4.8
112.99246	2.8
113.00867	2.5
115.02435	4.7
116.02610	6.1
116.98631	21.4
118.03526	4.1
119.01826	70.7
119.05045	6.6
120.02009	2.5
121.01682	5.4
121.04113	2.4
123.04427	7.5
126.02228	2.5
127.02422	2.6
127.03896	7.3
128.02344	51.8
128.04544	4.1
128.52510	4.2
128.98615	25.6
129.00261	2.7
129.02078	2.8
129.04001	4.9
131.01909	8.1
133.01550	2.3
133.03479	6.0
134.03595	3.4
134.06001	5.8
134.99638	2.5
135.03043	14.4
135.04391	4.2
137.02893	11.5
139.05133	2.5
139.06937	5.8
139.56761	4.2
140.00194	6.5
140.98601	4.2
141.02773	3.8
142.03577	2.0
143.00243	2.5
143.02528	2.4
143.03598	5.2
144.03255	6.5
144.98132	2.7
145.03429	4.3
146.03719	13.4
146.99640	8.7
147.01408	15.3
147.03186	3.6
147.05048	4.8
150.30481	2.0
151.03914	8.9
151.05942	3.7
151.07571	10.7
151.11183	2.5
152.05702	64.9
152.06996	10.6
152.10724	4.9
153.04121	15.5
158.99646	3.6
165.49046	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	151.0392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.1
55.01880	7.1
55.05493	2.5
56.05046	1.7
56.96572	100.0
57.03448	17.2
58.99836	1.9
59.04985	2.8
60.95849	1.4
61.02933	12.5
65.03938	5.3
67.05513	12.7
68.00259	5.2
68.02629	1.8
68.98291	3.8
69.03437	14.7
70.01088	6.6
70.99863	1.4
71.04986	5.5
71.95257	3.5
73.02925	22.7
74.00270	2.9
74.97610	4.5
75.01052	2.7
75.01904	2.2
77.00800	4.0
79.05485	5.3
80.00266	2.9
81.01030	4.1
81.03424	12.2
81.07027	4.5
82.01423	4.0
83.00801	6.2
83.05001	2.1
84.08172	1.7
84.96026	4.9
85.01402	3.2
85.02913	16.0
86.00268	1.5
86.03699	2.7
86.99325	4.7
87.01022	4.2
87.04438	1.4
87.99967	1.9
89.00787	18.1
89.06019	4.2
90.01554	8.6
90.65723	1.2
91.05489	24.6
92.01322	1.4
93.07036	3.4
94.06557	1.7
94.54264	2.1
95.00771	5.5
95.01336	7.3
95.04968	9.9
95.06369	1.3
95.06887	6.6
95.08595	3.7
96.01578	7.4
97.00505	4.8
97.01425	2.0
97.02882	11.4
97.96774	3.1
97.99187	4.6
98.01295	15.2
98.03196	1.3
98.97593	83.0
99.02052	1.5
99.04459	3.6
100.02488	10.0
100.51588	2.4
101.00313	1.3
101.00804	16.6
101.02565	1.5
101.50928	1.5
102.01624	1.6
102.02277	2.7
102.53129	2.2
103.02422	5.4
104.01290	5.1
105.00309	1.6
105.02063	2.2
105.07022	4.3
106.00980	1.4
106.06549	5.9
107.01816	3.7
107.04947	9.9
107.06931	1.6
107.08602	1.8
108.03325	1.9
109.01388	1.6
109.02893	6.2
109.05213	1.3
109.06553	2.5
109.10149	3.0
110.01298	39.3
110.02076	2.2
110.03511	5.5
110.51429	1.6
110.96844	2.4
110.97575	26.1
110.99295	1.6
111.02899	1.7
111.04438	1.4
111.53615	5.2
112.07634	7.6
113.00854	1.8
113.96484	1.3
114.04108	1.3
115.01334	2.0
115.02419	3.0
116.02518	1.7
116.98626	22.0
118.03520	2.8
119.01830	45.5
119.02696	2.4
119.04958	11.2
119.51957	2.8
120.01952	3.0
121.53848	2.0
122.05991	2.0
123.03561	1.7
123.04429	7.6
123.05564	1.8
123.06310	5.9
123.08065	2.5
124.99110	3.0
127.03922	3.0
128.02350	43.0
128.04443	2.0
128.52458	1.9
128.98631	21.7
129.00346	3.9
129.03084	1.6
129.03984	3.3
130.08612	1.8
130.52594	2.2
131.01888	4.2
132.95837	3.0
133.03545	3.0
133.06485	2.0
133.10172	1.5
134.05989	6.1
134.99648	3.1
135.03040	11.7
135.04401	3.7
136.05229	3.4
136.08868	1.4
137.02847	10.1
139.53127	3.1
140.00197	4.1
143.00174	2.1
143.01778	1.4
143.03687	2.1
144.03281	2.3
145.03496	3.0
145.04898	1.7
146.03648	11.7
146.99709	9.3
147.01419	10.1
147.03227	3.1
147.05014	2.7
150.96909	5.3
151.02820	3.2
151.03899	11.6
151.05911	13.3
151.07393	12.5
151.11156	2.8
152.01804	2.1
152.05717	46.8
152.06970	9.2
153.04128	8.4
156.97429	1.4
158.06688	1.6
158.99670	4.0
161.01190	2.1
161.02971	1.6
164.04526	1.8
165.00600	1.5
165.02541	1.4
169.01691	1.8
169.03488	2.4
169.06944	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0551
Annotation	5-Hydroxyoxindole
Peak:m/z	Relative Intensity
51.02387	0.4
53.03951	0.6
55.01874	0.6
56.96566	0.3
59.57341	0.3
65.03940	1.7
66.04277	2.1
67.05500	1.2
67.93573	0.8
68.05023	0.4
70.73830	0.8
72.80781	0.3
72.93797	0.9
78.04745	0.6
79.05511	1.0
80.05018	5.9
81.03406	0.4
81.07047	0.5
85.39795	0.3
90.90389	0.7
90.94846	0.7
91.05482	1.1
92.05801	0.3
93.05796	0.7
93.07045	0.7
94.03735	0.5
94.06571	27.7
95.03726	0.5
95.04974	0.9
95.07353	8.0
98.24658	0.3
104.05006	1.7
104.05684	0.5
105.07041	0.7
106.04189	0.4
106.06573	0.6
107.04942	0.5
108.04485	4.2
108.08156	0.7
108.08922	0.4
109.06495	0.6
110.06014	0.4
119.04919	0.3
121.02855	0.9
121.03969	0.4
122.03210	4.4
122.06030	100.0
123.04417	0.4
123.06854	8.9
132.04463	3.9
132.05325	0.5
132.10222	0.3
135.21564	0.3
136.01025	0.4
140.95134	0.4
150.02744	12.5
150.05501	87.3
150.12790	0.5
151.03937	0.7
151.06316	8.5
151.07495	0.6
151.11136	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0551
Annotation	5-Hydroxyoxindole
Peak:m/z	Relative Intensity
52.32489	0.4
53.03948	3.3
55.01867	1.4
56.05033	0.8
56.96564	7.0
57.03449	0.9
61.01144	0.5
65.03941	4.2
66.04288	0.9
67.05508	16.5
67.93568	0.5
69.03425	1.6
70.73339	0.9
71.05029	0.4
72.93797	4.6
73.02919	0.7
74.02517	0.4
75.03326	0.5
78.03439	0.5
79.05503	3.3
80.05028	0.7
81.03415	1.8
81.07049	0.6
82.01456	0.9
82.51559	0.6
83.04989	0.5
83.97614	0.4
84.08162	0.8
86.04909	0.4
88.07620	0.6
89.94034	0.4
90.90389	1.7
90.94839	2.3
91.05481	4.5
91.52085	0.5
93.05815	0.8
93.07049	0.6
93.71684	0.4
94.06570	48.5
95.00774	0.5
95.03449	0.4
95.04974	1.8
95.06936	0.4
95.08605	0.4
96.04501	1.3
97.02918	0.4
98.97592	1.9
100.02469	0.8
101.00858	0.9
102.53108	0.7
105.04517	0.6
105.07037	0.7
106.06557	11.7
108.04482	1.0
109.02841	0.5
110.01297	0.9
111.53608	0.6
112.07601	4.8
112.99092	0.5
113.00872	0.6
113.07952	2.6
115.02412	0.9
118.01163	0.4
119.01813	1.7
119.04963	1.9
120.53985	0.5
121.02869	0.5
122.03210	3.5
122.06031	64.1
122.09631	2.9
123.04385	0.5
123.06454	0.9
127.02416	1.2
128.02293	1.2
130.08640	1.4
131.08995	0.9
132.04442	1.6
133.05144	1.1
138.54155	0.8
141.02750	0.6
142.03462	0.8
145.03465	3.8
146.01318	0.5
148.03990	0.4
149.96117	0.5
150.02766	9.5
150.05507	100.0
150.07745	14.0
150.09135	7.8
151.03963	0.5
151.05879	1.2
151.07523	2.0
153.81818	0.4
155.71092	0.4
156.03325	3.6
157.03627	1.7
163.04536	0.5
168.03447	0.7
168.05223	0.5
168.06593	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	149.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.7
55.01899	0.6
55.05513	0.7
56.05041	0.7
56.96564	22.1
56.96851	1.2
65.03942	19.2
65.13802	0.5
67.05505	3.9
68.05032	0.5
68.96606	0.5
69.03436	29.9
69.07062	4.4
69.50543	0.4
70.03770	0.9
70.04115	2.3
71.04997	1.1
74.97617	1.0
79.05484	0.7
80.02644	0.7
81.07042	0.6
82.06577	2.0
83.04973	0.9
83.08642	0.5
84.04475	0.6
84.08147	15.2
84.08630	0.9
85.04827	0.7
85.08476	0.8
86.06081	0.7
91.05490	0.9
93.03400	3.2
93.07025	0.7
94.06579	6.9
95.04954	0.7
98.20796	0.7
100.99201	0.5
102.03394	0.7
102.53153	0.7
103.05441	0.9
104.38114	0.6
106.06581	1.5
107.07664	0.5
109.99211	2.6
111.04440	2.9
112.07614	100.0
113.07959	5.5
117.50674	0.5
121.02882	22.0
121.03989	7.6
122.06040	9.5
128.00249	1.0
130.08650	40.2
131.04971	0.8
131.08992	2.2
136.35904	0.5
138.02298	1.5
141.65553	0.5
142.01804	0.6
145.03467	0.7
148.19154	0.5
149.02357	39.5
149.05943	1.6
150.02721	0.7
150.05524	8.3
150.07741	1.6
151.63130	0.5
156.03331	88.1
157.03696	4.4
158.06549	1.6
168.03325	11.7
169.03548	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.0
65.03941	46.9
66.04266	0.8
69.68748	2.7
69.69174	2.1
80.02623	1.8
85.97799	0.7
93.03403	8.1
98.03654	1.5
111.04457	4.8
121.02866	54.5
121.03976	20.0
122.03183	1.1
149.02344	100.0
150.02695	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	149.0598
Annotation	3-Isochromanone
Peak:m/z	Relative Intensity
50.01580	0.7
51.02394	0.7
53.03943	4.7
55.01875	1.5
56.96568	1.7
61.55718	0.8
65.03944	26.5
66.04282	0.8
67.05481	0.8
69.64670	3.9
77.03929	2.2
79.05498	45.6
80.05819	0.8
89.03902	0.7
91.05489	12.8
93.03419	5.8
93.07053	35.9
94.06564	1.0
95.04977	3.9
98.03677	1.5
98.20852	1.0
102.03356	1.2
103.05475	100.0
103.26266	0.7
104.03176	0.7
104.05808	2.3
105.04521	2.3
105.07025	2.7
107.04962	26.7
111.04456	3.6
121.02881	31.4
121.03993	11.0
121.05649	1.2
121.06502	13.5
122.03226	0.9
122.06023	1.4
128.00984	0.7
129.56895	0.7
131.04942	4.7
149.02356	54.7
149.05966	6.0
150.02663	0.8
150.05496	0.9
150.07779	1.0
168.56313	0.6
169.03523	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	148.0605
Annotation	L-Glutamate
Peak:m/z	Relative Intensity
53.03940	1.0
55.01879	0.5
55.05507	1.2
56.05034	7.2
56.96568	5.8
57.03430	0.7
60.34944	0.4
62.59736	0.4
62.83893	0.4
63.40918	0.3
63.52642	0.4
65.03941	8.9
67.05492	0.5
69.03410	0.8
69.89095	2.1
73.02927	0.5
79.05501	0.8
83.04984	0.9
84.04505	100.0
85.02909	3.4
85.04842	2.2
85.08459	0.6
87.01881	0.5
88.02654	0.5
91.05479	0.7
92.04989	0.9
92.05812	1.2
93.03395	2.0
93.07090	0.4
98.97583	0.9
100.02527	0.5
102.03417	0.9
102.05542	15.9
103.02418	0.4
103.05418	0.5
106.96555	1.1
111.02073	0.5
111.03844	0.9
111.04498	2.1
112.07639	0.4
117.01953	0.4
117.44617	0.4
119.00178	0.6
120.04469	1.4
120.05294	1.2
121.02885	7.4
121.03989	2.5
124.04618	0.9
124.97610	0.8
125.01776	0.5
130.04993	7.7
131.01923	0.5
133.03485	0.9
143.01929	0.6
148.03889	2.6
148.06059	0.8
148.07602	0.8
149.02339	14.4
158.06598	0.5
158.99597	0.4
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
53.03936	0.5
55.04725	0.5
65.03942	12.5
66.04303	0.6
67.05534	0.5
69.58373	3.9
79.05486	0.9
84.04529	1.1
91.05486	100.0
92.05828	2.4
98.20753	0.6
103.05480	0.6
105.07038	5.8
117.07005	1.4
119.04948	89.5
119.08569	5.9
120.05272	1.7
129.07022	0.8
145.10081	0.6
147.04420	38.0
147.08041	1.2
147.11691	3.1
148.04765	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	148.0605
Annotation	L-Glutamate
Peak:m/z	Relative Intensity
56.05037	7.4
60.66343	0.5
65.03942	4.8
69.65576	1.3
69.65990	2.0
70.06575	0.5
74.00628	0.6
77.40581	0.5
84.04511	100.0
84.08155	1.2
85.02916	2.2
85.04852	3.3
85.08492	2.3
92.05825	0.6
93.03399	0.5
96.41528	0.5
102.05556	14.7
111.04484	0.7
115.02483	0.5
115.89725	0.5
120.05257	0.5
121.02860	4.5
121.03997	1.9
130.05005	7.2
131.05336	0.6
133.03461	0.6
148.03949	0.7
148.06073	0.9
148.07706	0.6
149.02359	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	147.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	10.9
65.32458	0.5
67.04804	0.5
70.83862	1.3
91.05484	100.0
92.05816	1.3
105.07046	4.6
106.45734	0.7
117.07010	0.7
119.04946	89.8
119.08590	4.5
120.00107	0.5
120.05272	1.5
123.96467	0.5
125.12718	0.6
145.10172	0.8
147.04416	32.9
147.11713	2.4
148.04854	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0441
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
50.01609	0.9
52.79365	0.7
52.88023	0.7
65.03623	0.8
65.03940	11.2
68.30285	0.7
70.17996	1.5
70.18394	1.4
76.55462	0.8
82.32263	0.7
91.05483	100.0
92.05802	1.7
102.55756	0.8
105.07029	3.1
119.04945	91.2
119.08569	2.9
120.05280	2.1
131.94064	0.8
147.04413	36.5
147.08089	2.3
147.11646	1.4
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
53.03969	0.9
53.12019	0.5
55.05514	0.9
57.87892	0.5
64.23180	0.6
65.03945	12.6
69.07056	0.9
69.28596	4.2
69.29005	0.9
80.91636	0.5
81.03458	0.5
82.83645	0.5
84.04496	0.9
91.05489	100.0
92.05814	1.9
103.05460	1.6
105.07046	5.0
117.07028	1.2
119.04950	80.0
119.08589	5.8
120.05306	1.5
127.53210	0.5
129.04523	0.5
129.07018	1.0
142.94342	0.6
147.04422	41.4
147.08061	2.0
147.11673	2.7
148.04771	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0441
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
53.03949	0.5
54.17123	0.5
55.05521	0.8
65.03940	10.5
74.84550	0.4
90.36504	0.5
91.05482	100.0
92.05823	2.3
98.20804	0.9
105.07028	3.8
107.08596	0.5
117.06985	0.8
119.04942	81.6
119.08587	5.3
120.05283	2.5
131.47115	0.4
132.33890	0.5
145.10028	0.8
147.04414	29.3
147.11679	1.6
148.04739	0.9
150.03085	0.4
157.65808	0.4
166.53906	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10033	1.9
55.05518	2.2
55.42208	1.6
60.15664	1.9
61.04043	4.9
65.03938	8.2
67.05512	3.4
69.03461	1.6
71.48858	2.2
75.58404	1.8
78.15936	1.8
79.05505	4.7
82.06545	1.7
86.06072	24.9
87.01958	6.4
90.04216	2.1
91.05489	100.0
92.05814	2.4
92.57887	1.8
96.53596	2.0
103.05463	2.2
105.07043	22.6
106.07368	5.8
115.52921	1.6
116.05772	3.8
117.07027	4.4
118.06551	13.1
118.07366	6.9
119.04951	76.1
119.08590	25.3
123.96444	3.2
128.04979	8.0
129.07033	2.1
131.08128	5.1
145.10184	2.2
146.05978	17.0
146.06810	1.7
146.10497	11.1
147.04417	31.5
147.08076	5.9
147.11679	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	146.0601
Annotation	Indole-3-carboxyaldehyde
Peak:m/z	Relative Intensity
52.20771	0.8
60.50851	0.6
65.03931	1.2
70.89280	0.6
70.99973	1.7
81.03447	0.7
82.24037	0.6
91.05489	32.1
93.16476	0.6
117.05779	5.5
118.06549	100.0
119.04959	7.2
119.06888	2.2
128.05005	3.1
146.06006	15.6
146.07115	1.1
147.04449	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08402	1.1
51.02393	1.0
53.03949	7.9
55.01865	4.5
57.03434	2.7
62.92992	43.6
67.05505	1.9
69.03424	4.1
71.05000	18.9
71.49071	1.5
79.05489	3.3
81.03424	7.2
85.02919	6.2
86.03276	1.7
86.06079	1.4
87.04507	1.1
89.03934	1.2
91.05489	16.3
97.02901	1.7
99.04462	46.3
100.07635	1.4
101.02381	1.6
103.05466	4.6
103.95615	3.0
105.07040	84.0
106.07380	1.1
115.05459	9.4
116.06255	2.1
117.07030	31.1
117.84404	1.2
121.96651	63.1
127.03934	7.0
128.06250	6.2
128.07034	1.1
129.07024	11.7
130.07806	49.5
143.08586	9.9
144.98210	6.4
145.04991	4.1
145.06496	3.6
145.10133	100.0
146.06036	1.5
146.10556	1.6
151.34657	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0497
Annotation	2-Methyleneglutarate
Peak:m/z	Relative Intensity
53.03946	14.2
55.01880	12.8
55.05516	2.8
57.03438	19.6
60.05654	2.5
61.02922	2.4
69.03435	62.0
70.41705	7.5
71.01357	5.3
71.04995	41.5
73.02907	3.7
81.03428	22.0
83.01342	4.1
85.02911	63.0
86.03217	4.8
86.06075	12.3
87.00841	2.8
87.04474	11.1
89.03905	10.0
93.88225	3.1
97.02908	24.7
99.04463	100.0
99.09990	2.3
100.04816	2.8
101.02375	4.9
103.00652	13.9
109.02882	4.3
115.03950	3.8
119.01914	3.7
121.01675	22.4
121.94957	2.3
125.48370	2.3
127.03930	20.4
128.39441	2.2
131.01923	2.4
139.02687	3.0
145.01558	2.2
145.03967	2.5
145.04959	14.4
145.06850	3.2
145.10509	9.4
146.09232	4.1
163.02803	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.4
55.05520	0.2
56.96572	1.5
58.64923	0.1
59.07939	0.1
60.95867	0.4
60.99623	0.2
62.00402	0.1
62.54056	0.2
65.59000	0.1
69.03442	0.3
69.94269	0.8
71.05044	0.2
72.99632	0.2
75.12852	0.2
81.03429	0.4
81.50909	0.2
82.01485	0.2
82.99885	0.4
83.01350	0.2
84.96080	0.2
84.99596	2.6
85.02935	0.6
89.51601	0.6
90.51472	0.5
91.05502	0.2
93.01720	0.2
97.02896	0.2
98.97604	0.3
99.04513	0.4
100.02486	0.4
101.00887	4.2
102.00993	0.7
102.02282	0.2
102.91228	0.2
102.96879	0.6
103.00646	31.0
103.01255	1.5
103.97222	0.7
104.00957	0.2
112.48193	0.2
113.00201	0.2
118.98373	0.2
119.01935	12.7
119.97306	0.3
120.02018	3.0
120.03197	0.2
121.01675	100.0
121.48726	0.4
121.96610	0.2
121.98317	0.4
121.99360	0.4
122.01986	1.1
123.02074	0.2
123.67077	0.1
124.02447	0.4
125.02750	0.2
126.02236	0.2
127.98901	0.2
128.97867	0.3
130.49216	2.3
130.99207	0.3
131.01913	0.2
132.99532	0.4
133.03387	0.2
135.03148	0.3
137.02963	3.2
138.03093	0.9
138.99873	0.5
139.02704	28.2
139.49731	2.4
139.99512	0.3
140.03050	0.2
140.04872	0.1
141.03104	0.1
142.00031	1.0
142.03511	2.7
143.03584	0.5
144.03244	1.7
145.00880	0.2
145.03571	1.3
148.48409	0.3
149.48376	0.2
150.99382	0.2
151.00531	0.8
160.04547	0.6
162.04323	0.4
163.02676	0.2
163.04483	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.3
55.01863	3.7
55.05513	35.8
57.03431	1.6
57.07079	17.2
59.05003	17.1
60.82257	0.9
64.31742	1.0
69.03083	1.6
69.03430	16.3
69.07072	10.8
69.23863	7.0
69.24274	2.4
70.06584	1.0
71.01330	1.3
73.06551	3.2
83.04984	1.0
83.08634	1.4
85.02904	5.8
85.06510	1.0
87.08103	2.9
97.02894	17.9
97.10171	37.4
101.95043	5.5
115.05434	6.9
119.01929	1.7
119.96040	1.6
121.00746	1.8
125.02351	17.8
128.06233	12.0
128.07176	1.5
139.01794	3.5
143.03403	100.0
143.08582	4.6
143.10664	3.9
144.03737	1.2
144.06560	2.4
144.08096	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	143.1067
Annotation	trans-2-Octenoic acid
Peak:m/z	Relative Intensity
52.19927	2.8
55.01880	4.6
55.03795	2.4
55.05518	19.3
55.13533	2.6
57.07079	20.1
59.04992	4.7
67.05501	14.1
69.03429	11.8
69.07065	3.5
71.04993	100.0
73.06561	15.5
75.92282	2.5
79.05488	4.6
81.07071	2.9
83.04971	10.0
83.08617	7.7
85.06551	46.8
85.25373	2.6
96.27220	2.5
97.02892	4.5
97.10171	12.3
98.21551	4.2
105.06988	3.4
107.08604	35.4
113.01727	2.7
114.74634	3.1
125.02369	4.7
125.09634	17.5
128.06239	21.8
143.03410	31.5
143.08658	3.8
143.10654	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	143.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	4.6
55.05513	9.0
57.07085	8.1
59.05002	1.7
60.04495	1.6
62.46091	1.1
63.04816	1.2
65.03943	2.0
67.05502	8.1
69.03432	18.1
69.07056	1.3
70.06566	1.5
71.01357	1.7
71.04994	55.9
71.49252	1.9
73.06552	5.0
79.05495	3.5
80.89989	1.1
81.07046	2.7
83.01328	1.3
83.04968	6.0
83.08617	4.4
85.02901	7.7
85.06552	24.6
87.02689	7.1
89.78429	1.3
97.02888	19.4
97.10164	4.8
98.06072	2.4
101.95044	8.9
107.08588	12.5
113.02370	1.8
115.05452	5.9
119.96049	1.6
125.02361	16.5
125.09631	7.6
128.06236	23.0
139.01799	2.8
143.03400	100.0
143.08568	7.3
143.10699	2.0
155.06023	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	143.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71621	0.8
51.92428	0.8
54.32824	0.8
55.01881	5.2
55.05510	6.3
56.96570	1.0
57.03430	0.9
57.07076	6.2
59.04998	1.5
60.95864	0.9
60.98733	1.0
64.80738	0.8
65.03954	0.8
67.05501	5.4
68.99803	1.4
69.03430	18.1
69.21042	3.3
69.21468	5.6
70.06590	1.4
71.01327	1.4
71.04997	38.9
71.95247	1.2
73.06549	4.4
78.99789	0.9
79.05486	2.5
83.04979	3.4
83.08633	2.9
85.02911	6.1
85.06078	1.5
85.06545	16.3
97.00834	1.4
97.02898	18.5
97.10188	5.3
98.06071	1.2
98.20791	1.8
101.95036	16.2
103.83194	0.9
105.07099	0.9
107.08602	10.4
115.05471	1.6
119.96076	7.3
121.00793	2.8
125.02361	18.3
125.09626	7.9
126.05505	1.0
128.06233	15.8
137.97073	2.7
139.01848	4.9
143.03403	100.0
143.08556	5.3
143.10686	1.8
144.03847	1.6
144.06523	1.6
144.08133	1.0
155.06091	1.5
164.65601	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.4
55.01893	4.2
55.05515	21.3
57.07078	14.7
59.04994	4.0
67.05517	9.8
69.03434	13.1
69.07069	2.3
69.52126	13.7
71.01344	2.3
71.04997	100.0
73.06187	2.1
73.06548	11.6
78.97337	1.6
79.05485	6.1
81.07059	4.0
83.04979	9.6
83.08624	9.1
85.02895	5.6
85.06548	38.2
91.05479	2.6
97.02904	9.1
97.10178	10.9
98.06089	1.9
101.95036	7.8
107.08590	28.4
119.14837	2.1
125.02368	10.7
125.09634	19.1
128.06261	15.6
139.01797	2.1
143.03407	58.4
143.08582	5.5
143.10683	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	143.0191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.6
56.96563	3.1
58.99875	1.3
60.04519	0.6
60.95150	0.4
60.95860	0.8
63.48525	0.3
67.96999	0.3
69.03432	2.6
70.03235	1.2
70.04087	1.7
70.06599	0.8
70.99860	3.6
71.01364	0.6
71.95263	0.7
77.00920	1.0
82.99847	7.4
84.08155	0.5
85.02911	3.0
89.00901	1.8
97.02904	3.4
97.07648	0.4
98.21457	0.4
98.97592	1.3
100.02509	0.6
101.00888	62.0
101.95042	3.2
102.00933	2.4
102.89408	0.4
102.96878	1.7
103.02460	0.7
107.01954	0.3
112.05111	1.2
115.02391	0.4
116.98657	0.4
119.01929	100.0
119.96130	0.8
120.02007	5.5
120.97923	0.6
121.01695	0.4
124.02419	0.8
125.02380	3.6
126.05518	0.5
131.01936	0.6
132.26187	0.4
133.03494	0.5
137.02969	13.7
137.04028	0.8
138.03096	0.7
141.95129	0.3
142.03510	1.2
143.01947	1.8
143.03407	18.0
144.04968	0.4
144.06593	0.8
144.10179	0.5
149.40192	0.4
161.03000	2.3
161.04243	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.0191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.7
55.05510	0.7
56.05027	0.6
56.96561	1.3
57.03437	0.8
58.06596	1.3
58.99868	2.7
60.08172	0.6
63.57256	0.4
68.05020	2.0
69.03433	1.1
70.06596	0.9
70.47845	1.7
70.99860	9.6
71.99945	0.7
76.08435	0.5
77.00881	2.1
81.04543	6.5
81.07053	0.8
81.17467	0.5
82.99844	7.6
83.08640	1.0
83.69051	0.5
84.08147	1.9
85.02914	1.5
89.00903	3.9
95.06091	3.4
97.02882	1.6
97.07664	5.5
97.08409	0.7
98.06016	0.6
98.09694	1.1
98.20786	0.5
98.97593	0.7
100.02502	0.7
101.00884	65.7
101.07146	0.6
102.00970	1.7
102.02407	0.4
103.02471	0.8
107.01905	0.6
109.06594	0.5
113.00870	0.6
115.02457	0.7
119.01924	100.0
120.02022	3.0
121.02381	0.5
124.02463	1.0
125.02370	1.8
125.07151	3.1
126.09142	2.2
131.01877	0.7
133.03502	0.9
137.02963	10.4
137.04019	0.5
142.03519	1.8
143.01945	4.5
143.03387	5.6
143.08093	4.5
143.09081	0.6
143.11740	0.5
144.10210	6.1
148.04204	0.4
151.60242	0.4
161.02977	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	143.019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00350	0.9
55.01855	1.2
55.48465	0.6
56.05017	0.8
56.96556	0.9
58.99854	2.3
59.10260	0.7
60.78090	0.6
68.05013	1.2
69.03410	2.0
70.06586	0.8
70.99491	0.9
70.99859	10.7
71.05696	1.8
77.00914	1.9
81.04551	1.5
82.01422	0.8
82.49342	0.7
82.99839	10.5
84.08123	0.9
85.01392	0.7
85.02896	1.9
86.99301	0.6
89.00927	3.3
96.97372	0.6
97.02901	1.8
97.07655	3.6
98.97582	0.7
101.00884	81.6
102.00974	2.9
103.02438	1.4
110.01458	0.7
113.02359	0.7
115.02425	1.1
119.01923	100.0
120.02013	3.7
121.02347	0.7
124.02409	1.7
125.02348	2.1
125.07133	0.8
126.09162	0.7
131.01973	1.1
133.03458	0.8
137.02960	9.5
138.03140	0.8
143.01945	5.8
143.03394	12.2
143.08199	1.6
144.06555	1.2
144.10201	2.3
147.93059	0.7
161.02956	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	142.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77829	5.2
56.96555	6.7
63.45846	4.7
66.06863	4.7
67.58350	4.3
70.43221	17.2
82.99855	10.1
101.00887	64.4
102.91026	4.4
105.72478	5.7
119.01926	100.0
123.44084	5.3
137.02968	18.2
138.10271	5.0
142.03476	18.0
147.71744	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	142.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
70.13807	100.0
81.04552	30.4
101.94602	24.1
110.70963	26.8
113.79190	24.2
119.01942	73.7
131.19928	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.035
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12132	5.6
54.97034	6.1
59.04107	5.2
60.62835	6.0
64.69173	6.3
69.79353	6.0
70.90598	10.1
70.90929	8.8
77.63708	5.5
82.99821	9.9
88.19765	6.4
99.21783	5.6
101.00899	62.9
119.01924	100.0
128.49461	8.5
137.02942	10.7
137.49994	18.3
140.00325	8.1
142.03494	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	140.0707
Annotation	1,2,3,6-tetradehydro-propylproline
Peak:m/z	Relative Intensity
50.85421	1.1
51.02365	1.8
53.03950	30.9
55.01868	3.0
56.96564	7.8
57.93563	2.9
65.03941	3.7
67.05508	46.6
68.44452	1.0
69.03426	2.0
69.07068	8.0
70.06595	1.2
70.26630	2.3
70.27024	3.1
70.32124	1.0
71.95255	2.4
77.03934	5.2
81.03397	3.4
82.02927	1.0
84.08147	9.7
93.05785	18.0
94.06573	56.3
95.04379	2.4
95.04972	41.2
96.04491	2.8
97.05293	1.1
97.06519	1.6
98.21416	1.6
98.97588	35.1
105.04525	14.9
112.07609	17.5
113.06003	1.7
116.97261	7.0
116.98624	14.1
122.06033	100.0
123.04427	2.9
123.06368	2.6
134.99692	3.5
139.07584	1.0
140.03409	1.9
140.05963	2.4
140.07066	48.8
158.84631	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	141.0657
Annotation	1-Methylthymine
Peak:m/z	Relative Intensity
52.01614	4.7
52.10604	4.4
52.83339	4.5
52.87146	4.6
55.01862	4.8
55.05516	100.0
56.05030	9.5
59.93109	5.4
60.77748	4.8
67.93583	9.6
69.00915	11.1
69.99322	77.1
70.06564	6.4
71.05000	7.5
71.49119	5.2
72.70793	4.6
73.06568	8.7
81.07068	4.8
85.02957	5.8
86.76442	5.2
87.01960	95.5
93.07059	4.6
94.98566	4.2
95.01309	4.8
95.04978	8.0
95.08623	9.1
98.06059	40.5
99.04452	10.1
113.02393	24.6
115.05452	9.3
118.66912	5.1
118.96773	5.8
141.01831	28.1
141.05510	11.6
141.06558	74.1
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	3,4-Dihydroxybenzaldehyde
Peak:m/z	Relative Intensity
53.03970	0.6
53.62797	0.5
55.01884	0.7
55.05519	1.1
56.96576	3.1
57.93564	1.5
65.03945	81.0
66.04261	0.9
67.05508	1.3
68.99776	0.5
69.03423	1.5
70.27460	0.8
70.27824	1.5
71.95273	0.5
77.61631	0.4
83.04987	2.2
83.06114	0.5
84.74244	0.4
90.86425	0.5
91.05507	1.1
92.52970	0.5
93.03410	71.8
93.07025	0.9
94.03749	1.1
94.06573	0.8
95.04967	2.0
95.06053	0.6
97.02898	0.4
97.06535	1.0
98.97587	10.0
98.98461	5.2
111.04449	100.0
112.04067	0.7
112.04769	2.5
116.97231	2.1
116.98618	4.1
121.02863	2.0
121.03993	4.4
127.31910	0.5
134.06056	1.1
134.99712	1.0
139.03928	10.7
139.05017	1.5
139.07570	0.9
139.12296	1.3
147.30812	0.5
157.13248	0.5
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	2-Hydroxy-5-methylquinone
Peak:m/z	Relative Intensity
53.00310	9.5
54.81641	0.6
55.01867	1.3
55.05517	3.8
56.96332	0.8
56.96569	7.1
57.93564	1.8
65.03946	14.3
67.05493	1.3
68.99799	3.3
69.03433	15.6
69.07063	2.0
70.83097	1.6
71.01357	12.0
71.95268	1.2
79.05492	1.1
81.07053	1.5
83.04987	24.3
91.05480	1.7
93.03413	17.2
93.04533	2.4
93.07079	3.0
95.04970	2.4
95.06094	1.7
95.08604	1.7
97.02888	1.7
97.06536	2.2
98.97590	12.3
98.98470	16.0
111.04453	31.8
112.03976	0.7
116.97234	3.3
116.98630	6.5
121.02885	6.2
121.03992	7.4
121.10146	1.0
123.75445	0.7
134.99667	2.6
139.03917	100.0
139.04945	4.9
139.07545	1.8
139.11183	1.9
140.04352	1.5
147.52191	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1327
Annotation	ALPHA-PHELLANDRENE
Peak:m/z	Relative Intensity
52.49305	0.8
53.03942	2.8
54.53599	0.9
55.05519	6.7
57.06839	1.0
57.07083	12.9
57.82257	0.9
65.03925	2.9
66.58779	0.9
67.05509	31.4
69.07076	7.1
71.49744	1.6
79.05496	10.4
81.03430	1.7
81.07062	74.3
82.07365	1.0
91.05489	22.1
92.05830	1.2
93.07059	10.8
94.04180	3.7
94.06580	5.2
95.04989	2.1
95.08613	100.0
96.08938	1.3
105.04518	1.1
107.08601	1.4
109.06510	4.2
109.10152	9.3
119.04963	6.6
119.08523	1.2
122.03653	3.0
122.07260	1.1
137.02469	4.0
137.04460	1.0
137.05928	9.9
137.09615	5.1
137.10527	1.0
137.13258	9.4
138.09195	0.9
149.06282	0.9
151.69620	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	Toluate
Peak:m/z	Relative Intensity
54.25643	0.5
62.11734	0.6
65.03946	7.8
69.76315	2.5
79.05487	2.2
81.07053	2.4
91.05486	100.0
92.05810	1.7
94.04182	3.3
95.08615	0.8
97.70988	0.5
100.71249	0.6
104.10673	0.6
109.06527	2.5
118.84786	0.5
119.04948	31.1
120.05297	0.7
122.03629	3.2
137.05980	31.4
142.80135	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	Toluate
Peak:m/z	Relative Intensity
62.48563	0.5
65.03954	6.9
66.04710	0.8
69.78404	3.0
71.61320	0.6
79.05503	1.8
81.07047	2.7
91.05488	100.0
91.63808	0.6
92.05811	0.7
94.04205	5.1
98.20775	1.3
107.04946	1.0
109.06536	3.6
113.06013	0.6
119.04949	31.6
120.05241	1.0
122.03674	6.1
136.09174	0.5
137.05991	33.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03934	2.4
58.27834	0.9
65.03937	1.7
66.04727	8.7
70.10172	2.0
70.10556	1.7
79.05499	4.9
81.07076	2.3
91.05475	3.4
94.04192	56.5
95.04502	2.0
105.03380	1.1
107.04941	1.9
109.06548	1.0
122.03655	71.9
123.03999	1.8
134.60349	0.9
135.04446	1.1
137.05983	100.0
138.06310	2.7
150.82323	0.8
152.69316	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02378	0.8
53.03934	1.9
55.01864	0.9
55.05530	0.9
57.07066	0.7
63.02260	0.5
65.03957	3.2
65.52386	0.6
66.04722	7.0
67.05514	4.9
69.03414	0.8
71.49512	0.8
74.85588	0.5
77.03952	0.7
79.05499	5.4
81.03414	1.0
81.07068	7.4
91.05489	16.0
93.07028	2.2
94.04191	48.0
95.04957	1.6
95.08614	5.9
105.03371	0.9
105.04509	0.7
107.04955	2.0
109.06530	3.2
109.10139	1.7
112.58201	0.6
119.04966	4.2
119.08626	0.8
122.03654	65.9
123.04003	1.1
137.02446	2.4
137.05980	100.0
137.09579	3.3
138.06313	2.0
138.09108	0.7
154.69022	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.1
55.01846	1.1
55.05515	10.7
59.98219	1.0
62.18234	1.0
65.03923	2.3
67.05499	4.5
69.07061	4.1
69.71188	5.9
70.45841	1.1
77.03942	1.3
79.05497	26.7
81.07041	3.6
86.67686	1.0
89.03917	1.8
91.05490	49.2
93.07051	47.9
93.07641	1.9
94.07341	1.3
94.30631	1.0
95.04990	5.7
96.34422	1.0
98.21512	1.3
105.04509	2.6
105.07045	21.6
107.04955	4.7
107.08603	100.0
109.01109	1.4
109.06503	4.9
115.05547	1.2
117.07030	2.9
119.03529	1.8
119.06068	4.6
119.08584	11.8
120.09367	3.7
133.10126	1.2
135.04413	4.4
135.08051	5.1
135.11697	19.3
136.02193	12.6
136.06209	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	136.0428
Annotation	Homocysteine
Peak:m/z	Relative Intensity
56.05037	64.0
57.05376	0.7
71.40137	0.8
71.40480	0.7
73.01145	12.0
74.02436	0.7
90.03779	100.0
91.05487	2.3
94.04091	1.6
111.67294	0.7
116.88448	0.5
118.03249	1.7
119.03558	4.2
122.03657	0.8
136.02168	6.0
136.04262	1.7
136.06175	27.7
137.04555	1.1
137.05913	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.37383	1.0
53.03954	5.8
54.44033	1.0
55.01867	1.2
55.05514	9.6
65.03940	1.8
67.05499	3.9
69.07060	4.3
77.03919	1.3
77.26780	0.9
79.05080	1.3
79.05499	19.6
81.07041	2.9
91.05486	38.3
93.07051	40.5
95.04961	4.6
98.20722	2.7
103.05433	1.2
104.21269	1.0
105.04490	2.7
105.07034	18.4
106.04192	1.2
107.08600	100.0
108.08912	1.8
109.06531	5.7
117.07027	1.2
119.06071	5.3
119.08560	8.7
120.09385	2.5
135.04436	1.0
135.10721	1.3
135.11702	18.4
136.02185	1.3
138.87390	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.6
55.01865	1.3
55.05516	8.1
57.07065	0.8
65.03938	3.4
67.05504	2.8
69.07063	2.5
69.52227	4.6
69.61492	0.8
77.03915	1.0
79.05499	20.0
81.03397	0.9
81.07066	3.3
91.05486	45.3
92.61270	0.7
93.07049	40.8
95.04980	4.1
100.01824	0.7
103.05461	1.0
105.04517	2.1
105.07039	21.6
106.04203	1.1
107.04951	1.9
107.08598	100.0
108.08922	1.3
109.06516	5.9
115.05466	0.9
117.07063	0.9
119.03592	0.9
119.06084	4.9
119.08582	9.2
120.09364	4.0
135.04390	1.1
135.08084	2.9
135.10713	1.2
135.11697	16.6
136.02161	4.8
136.06210	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	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03947	7.7
55.01860	2.9
55.05512	14.9
65.03929	3.7
67.05503	42.9
69.03408	1.8
69.07056	8.2
69.27287	8.0
69.27703	2.2
73.55761	1.1
73.58939	1.0
77.03922	1.4
79.05493	78.5
81.07059	32.5
89.03918	2.2
91.05482	35.4
93.07043	100.0
94.07850	1.6
95.04971	7.4
105.04515	3.4
105.07029	10.3
107.04951	4.4
107.08591	55.6
109.06521	1.6
115.05447	3.3
117.06991	2.6
119.03590	1.5
119.06074	3.0
119.08609	1.5
133.10123	1.7
133.72670	1.2
135.04408	3.7
135.08057	7.2
135.11693	53.7
136.02176	9.5
136.06175	15.3
136.11975	1.5
137.04599	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03952	8.7
55.01868	1.8
55.05513	16.5
63.02367	2.7
65.03943	3.8
67.05508	38.1
69.07079	9.7
69.43422	6.0
69.43829	1.9
70.70385	1.3
77.03915	2.3
79.05499	84.2
81.03424	1.7
81.07063	32.3
84.69807	1.0
89.03925	37.4
91.04922	1.6
91.05487	32.3
93.07049	100.0
94.07871	2.4
95.04977	8.9
105.04517	5.7
105.07021	8.3
106.63754	1.3
107.04977	7.9
107.08597	61.0
108.08926	1.7
109.01106	1.3
115.05412	1.5
117.03391	11.0
119.03554	2.8
119.06078	2.0
119.08572	2.4
120.09373	1.4
133.10123	2.4
135.04427	25.1
135.08096	7.7
135.11697	58.6
135.12737	2.8
136.02185	15.0
136.06197	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	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02383	1.7
53.03949	11.8
55.01860	4.2
55.05510	13.4
64.85287	1.4
65.03929	4.8
67.05132	1.9
67.05509	30.8
69.07082	7.8
70.87355	3.2
76.52441	1.4
77.03927	2.4
79.05497	86.8
81.03409	1.7
81.07063	25.6
89.03922	2.8
91.05486	55.6
93.07048	96.2
94.07361	1.7
95.04953	7.6
103.07672	1.2
105.04502	3.5
105.07042	23.1
107.04964	6.6
107.08598	100.0
108.08928	1.4
109.06538	5.3
117.07015	2.1
119.06067	5.3
119.08559	2.0
119.32096	1.5
135.04424	9.1
135.08063	20.2
135.11697	48.0
136.02164	22.4
136.06181	23.8
141.38870	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0443
Annotation	Phenylglyoxal
Peak:m/z	Relative Intensity
51.02383	1.1
53.03952	8.4
55.01873	9.1
55.05503	0.9
63.02378	4.2
65.03929	2.4
65.08981	0.8
67.05499	1.7
70.36581	1.7
70.36961	2.5
77.03906	1.0
79.05500	39.4
81.03408	1.1
89.03924	100.0
90.04251	0.9
91.05485	15.3
93.07046	9.1
95.04975	6.5
104.66210	0.9
105.04536	5.0
105.07021	3.9
107.04970	27.5
107.08595	12.3
107.09759	0.7
109.06519	0.9
115.05451	2.3
116.17849	0.7
117.03392	31.9
117.07019	3.6
119.03564	1.9
119.08517	1.4
122.36036	0.8
134.05313	0.9
135.04430	64.6
135.08060	25.3
135.11716	2.5
136.02165	7.4
136.06181	16.4
139.51591	1.0
145.04021	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0806
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
51.02373	0.9
53.03949	4.0
55.01871	14.2
55.02128	1.4
55.05507	1.4
62.13625	0.7
65.03941	9.9
67.05502	7.2
69.03432	13.3
70.36080	2.8
79.05495	56.6
81.03418	1.5
81.07059	1.4
89.03934	1.4
91.05483	100.0
92.05772	1.3
92.06258	2.5
93.07047	16.4
95.04967	7.5
105.04520	2.9
105.07034	33.3
106.04214	1.1
107.04961	6.7
107.08595	54.0
108.08907	1.1
109.01133	0.9
109.06512	10.4
115.05456	27.4
116.06326	0.8
117.07021	21.5
119.03561	2.5
119.06064	9.3
119.08582	3.0
120.05723	2.7
120.09373	1.0
121.50838	0.7
122.98235	0.7
124.05230	1.2
133.10088	0.8
135.04451	5.3
135.08058	37.9
135.11716	4.5
136.02171	14.4
136.06187	14.1
136.07292	1.2
137.04497	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03941	2.7
55.05511	5.0
65.03942	1.0
67.05502	1.5
71.49566	1.0
77.03925	0.8
79.05495	11.3
88.02221	1.1
91.05486	41.9
92.05789	0.9
93.07056	5.9
95.04995	1.4
98.87025	0.8
103.05473	7.0
104.06202	0.7
105.07037	100.0
106.06589	1.0
106.07378	2.1
107.08624	1.4
109.66511	0.7
115.05472	9.1
116.06246	1.9
117.07021	11.5
118.07814	13.0
129.06958	0.8
131.08578	15.9
132.90495	1.6
133.06471	2.2
133.07620	3.5
133.10135	56.9
134.07141	2.2
134.10466	1.0
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
56.96564	3.2
57.03436	2.2
58.99879	1.3
61.50126	0.5
65.64226	0.4
68.00357	0.7
68.02627	0.5
69.03422	1.1
70.09556	1.9
70.50653	5.3
71.00693	1.6
71.50529	1.5
72.52971	0.7
73.02921	1.5
77.00896	0.8
77.52193	0.7
78.52991	0.4
79.02206	0.4
79.51176	26.4
80.01213	6.0
80.51035	4.0
81.03401	0.5
82.01436	2.4
82.99830	0.8
84.52953	0.6
85.02968	0.4
86.52693	3.0
87.02778	0.5
88.02691	2.2
88.51698	60.6
89.01740	14.9
89.51562	12.1
91.01971	4.8
91.52037	0.9
92.01846	0.8
93.01894	0.7
95.53222	1.2
97.52214	2.2
98.52087	1.0
98.97630	1.8
100.02485	12.1
100.52557	2.6
101.00881	4.6
101.02364	2.0
101.47883	1.0
101.97997	0.5
102.00957	0.6
102.02353	0.8
103.00626	0.7
103.02432	0.6
107.98172	7.5
108.48206	2.0
108.98067	1.5
110.48366	2.0
110.51153	0.8
110.98525	0.7
111.02940	1.3
111.48298	0.9
115.02431	0.8
116.98698	16.8
117.48745	3.7
117.98584	3.7
118.03521	1.0
119.01929	7.8
119.48967	17.2
119.97324	1.3
119.99014	5.1
120.01984	2.5
120.48813	5.2
121.01653	2.5
122.02028	0.5
122.53717	0.5
124.02430	1.0
125.98286	0.9
125.99228	22.9
126.49267	6.3
126.99103	5.2
128.49495	85.6
128.97862	1.6
128.99538	25.6
129.03987	0.8
129.49361	23.1
129.99442	0.6
130.49626	0.4
130.99774	2.5
131.01915	1.8
131.99609	0.8
133.03464	0.5
137.02962	1.3
137.50014	100.0
138.00050	30.2
138.49883	28.1
138.99953	1.4
140.00279	9.4
140.50342	2.0
141.00168	3.1
142.03491	5.9
143.03601	1.7
144.03262	1.6
146.50471	0.8
147.00531	0.5
147.05048	0.7
147.50415	0.7
149.00827	7.9
149.50848	2.0
150.00685	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	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03942	1.6
55.05500	3.2
67.05498	1.3
69.23554	7.7
77.03913	1.4
79.05497	8.9
81.66642	1.0
84.36053	0.9
91.04913	1.4
91.05486	28.3
92.56946	0.9
93.07065	7.1
98.20827	2.2
102.35049	1.0
103.05482	4.3
105.07042	82.6
107.08582	2.6
115.05477	7.7
116.06263	1.7
117.07020	10.5
118.07818	8.9
118.18751	1.1
131.08585	13.0
133.06520	1.7
133.10139	100.0
134.10495	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	133.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.2
55.05514	2.5
67.05497	1.0
70.37115	2.0
71.15684	0.5
77.03902	0.5
79.05492	9.3
91.05486	27.3
93.07050	5.8
95.05013	1.3
103.05456	4.5
105.07036	76.9
106.07368	1.1
107.08573	1.8
115.05460	8.3
116.06229	2.3
117.07027	10.1
118.07808	10.1
125.66550	0.6
129.06998	0.9
131.08582	12.0
133.06505	1.7
133.10138	100.0
134.10472	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	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03938	1.9
55.05503	2.6
55.62218	0.7
56.77781	0.7
58.84101	0.6
67.05497	1.3
69.62678	4.1
69.63077	1.4
79.05500	10.4
91.05488	30.7
92.06289	0.9
93.07058	7.0
95.04967	1.6
103.05482	5.2
105.07037	84.6
106.07349	1.0
107.08601	2.3
115.05452	8.8
116.06246	2.0
117.07018	9.6
118.07803	10.3
129.06915	0.8
131.08574	11.1
133.10136	100.0
134.10486	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03954	1.8
55.01889	0.5
55.05516	5.8
59.47797	0.4
65.03941	1.3
67.05509	5.6
69.30008	1.9
69.30431	2.2
70.06583	0.5
76.12194	0.5
77.03934	0.6
79.05495	11.4
80.08659	0.4
91.05482	54.1
92.05802	1.3
93.07047	3.2
95.04942	1.0
98.20769	0.7
101.50988	0.4
103.05472	5.7
105.03408	1.0
105.07033	100.0
106.07364	1.7
115.05447	3.5
117.07008	3.4
118.07797	2.6
131.08583	7.1
133.02803	0.7
133.06494	5.0
133.10132	36.0
134.10497	1.0
139.43428	0.5
154.70654	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Tetralin
Peak:m/z	Relative Intensity
51.89054	0.6
51.92816	0.7
53.03947	3.4
54.12215	0.6
54.91394	0.7
55.01862	1.5
55.05521	3.8
55.22463	0.7
65.03946	1.1
71.21597	0.7
71.26122	1.2
77.03923	2.2
79.05067	1.3
79.05497	14.1
83.12671	0.7
86.07079	0.7
91.05490	27.0
92.22504	0.6
93.07067	5.7
95.04968	2.2
103.05470	8.6
103.66547	0.8
105.03412	1.5
105.07037	100.0
106.07384	1.4
107.08628	1.8
115.05462	8.1
116.06240	2.0
117.07035	7.1
118.04211	1.7
118.07800	8.2
129.07018	1.1
131.04886	0.8
131.08592	9.6
131.15558	0.7
133.02858	3.5
133.06506	23.7
133.10139	77.3
134.10448	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
50.04186	0.3
51.02382	0.4
53.00274	0.3
53.03944	2.3
54.31602	0.4
55.01871	0.7
55.05512	3.0
59.69551	0.4
60.06768	0.3
65.03939	1.0
67.05511	1.5
70.06586	1.1
70.50869	1.2
74.02429	0.4
74.75590	0.4
77.03936	1.0
79.05495	11.9
81.04520	0.4
88.02216	0.3
89.28650	0.3
91.05482	35.7
92.05804	1.0
92.06306	0.6
93.07046	6.1
95.04984	1.9
103.05470	6.8
104.06259	0.7
105.07032	100.0
106.06675	0.4
106.07362	1.5
107.08603	2.0
115.05453	9.8
116.06228	1.6
117.07018	11.0
118.07811	10.8
123.07936	0.6
126.09562	0.4
129.06999	0.9
131.08566	12.0
133.02864	1.2
133.06487	4.6
133.10132	85.6
134.06036	0.4
134.10458	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.065
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.02377	0.7
53.03955	3.5
55.01862	0.8
55.05510	1.5
61.40097	0.4
61.54340	0.5
65.03937	0.8
65.89765	0.4
69.03423	0.5
70.06588	1.2
70.30482	0.7
70.30861	1.2
77.03944	1.2
79.05497	24.5
81.03417	0.5
81.04540	0.5
87.09998	0.4
91.05482	17.7
93.07055	3.1
95.04972	3.4
97.81059	0.4
103.05470	13.2
103.06160	0.6
105.03406	1.2
105.04530	1.6
105.07037	100.0
106.06513	0.5
106.07354	1.2
112.02211	1.2
115.05444	3.1
116.06257	0.6
117.07009	2.7
118.07828	2.9
120.24242	0.5
123.08054	4.8
131.08568	4.6
133.02864	1.4
133.06503	16.1
133.07617	5.2
133.10143	25.2
136.12953	0.4
138.06775	0.6
149.09621	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88201	0.6
51.74371	0.5
53.03957	1.1
56.71905	0.5
65.03939	1.2
69.27896	5.0
70.03765	1.1
72.93769	0.5
85.04826	1.1
86.09694	0.7
91.05484	100.0
92.05807	1.6
92.12694	0.5
98.20704	0.6
102.12170	0.5
103.05472	9.6
104.05753	0.8
105.07045	1.0
108.40825	0.5
113.07946	1.7
114.37202	0.5
115.05460	9.4
116.06245	31.7
128.06221	2.5
129.07008	16.2
131.04918	1.8
131.06902	2.8
131.08571	88.9
132.08897	2.0
143.06067	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.5
55.05514	96.3
56.05023	0.4
56.05852	0.9
57.05819	1.9
59.99115	40.1
71.35246	0.5
71.35572	0.6
72.08159	37.3
73.06560	28.3
76.73595	0.5
78.00156	14.3
86.09708	0.6
89.04259	30.4
90.04652	0.5
91.05488	1.2
98.19329	0.5
105.07038	2.0
116.64883	0.4
132.04794	100.0
133.05106	1.3
133.10109	1.6
144.46269	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.081
Annotation	6-Methyl indole
Peak:m/z	Relative Intensity
53.03942	1.5
55.23168	0.6
56.96557	1.0
57.03431	0.7
67.18732	0.7
69.07062	2.1
70.06594	1.0
71.39886	0.9
72.93793	7.0
77.03938	1.0
79.05495	1.3
81.20108	0.7
86.09706	12.3
90.90388	20.1
90.94821	1.9
91.05486	3.4
93.05763	1.4
97.63551	0.5
98.97588	0.8
103.05475	1.4
104.04980	2.6
104.05753	1.2
105.07036	13.5
108.91444	1.9
115.05457	19.8
117.05769	58.1
118.06097	1.3
121.02416	0.7
130.06552	9.5
131.07326	5.8
131.92995	1.5
132.04486	3.7
132.08099	100.0
133.06491	2.4
133.08443	2.7
133.10080	0.8
134.57962	0.6
143.06017	1.7
149.94060	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	131.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.5
53.03955	3.9
55.01879	0.3
57.25396	0.2
59.19778	0.3
64.93187	0.3
69.62263	1.3
70.03767	0.4
77.03941	1.6
81.03425	0.4
81.07057	0.3
83.92570	0.3
86.09717	0.3
86.53632	0.2
91.05492	2.5
95.04980	3.5
98.20842	0.3
102.04704	1.2
103.05476	100.0
104.05828	1.9
105.04515	2.0
113.07953	1.0
113.77134	0.2
116.06207	0.6
129.07019	0.5
131.04935	9.2
131.06889	0.3
131.08514	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	0.8
56.96574	1.2
56.99840	0.5
57.03451	0.7
65.03943	1.4
71.48941	0.6
71.49366	0.8
74.70713	0.6
85.08492	1.8
90.90383	1.1
91.05487	100.0
92.05840	1.1
103.05473	7.9
105.07040	0.8
113.02403	0.7
113.07938	1.9
115.05484	8.4
116.06254	25.7
117.06557	0.6
128.06224	2.0
129.07018	14.5
130.07376	0.5
130.44211	0.6
131.04913	1.8
131.06929	1.9
131.08574	81.5
132.08905	2.2
133.06473	1.0
138.59955	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	126.0105
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02170	1.5
53.03947	7.3
55.01862	2.4
55.05501	1.2
56.05012	1.6
58.81844	1.2
63.02378	10.5
65.03939	2.4
69.03422	1.7
71.04998	2.1
71.48656	2.4
72.98470	15.5
80.05016	5.5
80.36919	1.3
81.03418	16.4
81.99757	1.6
90.02874	2.4
90.03445	65.3
91.04239	15.7
99.00015	68.3
108.04473	7.6
109.02894	15.3
118.49566	1.4
126.01080	100.0
126.05524	5.2
126.09184	1.8
126.10059	1.8
127.01411	1.8
127.03913	13.8
127.32182	1.4
134.31535	1.4
144.02104	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	130.1592
Annotation	Octylamine
Peak:m/z	Relative Intensity
53.00297	1.1
55.42519	0.8
56.05031	1.1
57.07078	87.5
69.03438	12.4
71.22354	1.8
74.09721	55.3
76.64893	0.9
81.07759	0.8
84.04507	9.1
84.08146	10.5
88.04842	1.0
103.05491	4.1
112.07605	23.8
130.06519	3.8
130.08656	5.7
130.15924	100.0
131.16270	1.7
143.45100	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13382	0.3
56.63791	0.2
68.75705	0.2
70.73291	0.3
70.73605	0.5
70.99859	1.2
74.50861	0.3
77.00883	0.2
80.05012	0.3
82.01451	0.9
82.92930	0.2
82.99849	8.4
83.01530	0.9
89.00921	0.4
100.02486	1.2
101.00889	61.2
101.02536	1.6
102.00995	1.1
102.02225	0.6
111.00478	0.6
119.01927	100.0
120.01971	1.6
121.02396	0.4
124.02476	0.9
124.03955	0.8
124.05930	0.4
124.08694	0.2
129.81659	0.3
132.45766	0.3
137.02968	13.5
137.24832	0.2
142.03514	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	125.0963
Annotation	2E,4Z-Octadienal
Peak:m/z	Relative Intensity
53.03944	4.5
55.01870	8.4
55.05512	79.5
57.03435	2.2
59.04953	0.8
65.03944	35.2
67.05505	15.5
69.03419	4.6
69.07066	10.8
69.33635	6.9
69.59988	0.7
71.01364	1.3
72.52586	0.7
79.01852	1.5
79.05495	36.7
81.07059	100.0
83.04993	9.6
83.08620	6.3
85.36865	0.8
91.05486	3.4
93.03407	13.6
93.07065	0.9
95.04948	0.9
95.08614	9.8
97.02898	13.8
97.06529	3.1
97.10178	22.7
102.02242	1.4
105.07048	1.7
107.08595	11.0
110.03673	1.8
111.04451	14.7
120.01980	1.1
125.02369	6.0
125.04310	1.5
125.06006	6.2
125.09637	95.6
126.09976	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.96355	0.3
60.00671	0.3
70.53516	0.3
70.53862	0.7
73.01566	0.3
80.96111	0.3
82.01450	0.8
82.99848	7.4
83.01537	0.9
98.14609	0.3
100.02493	1.0
101.00888	59.3
101.02546	1.6
102.00990	0.7
106.90041	0.3
111.00407	0.6
119.01927	100.0
120.01990	1.7
121.02351	0.3
124.02451	1.0
137.02968	14.9
142.03506	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	124.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.3
55.01869	0.4
56.96561	0.3
57.03437	0.4
58.99874	1.9
68.05052	0.4
69.03426	0.4
69.96350	0.8
70.99863	5.5
73.13000	0.3
77.00924	1.3
78.03461	0.9
78.06328	0.3
78.52940	0.5
80.05020	3.6
81.01952	0.2
81.04550	0.5
81.05352	0.8
81.07044	0.3
82.01423	1.2
82.99848	6.1
83.01499	1.2
84.01189	0.4
86.52711	0.4
89.00893	2.2
90.02444	0.3
92.52678	0.4
93.05807	0.3
95.01968	0.3
96.04487	1.4
96.05296	0.6
97.04811	0.3
98.20866	0.3
100.02505	1.7
101.00890	55.6
101.02544	1.9
102.00963	1.0
102.02239	0.7
103.00668	0.3
103.03211	0.3
106.02958	0.3
109.04066	0.3
110.04794	1.6
111.00449	0.3
112.03766	0.2
113.82227	0.3
115.02452	0.3
119.01931	100.0
120.01996	1.7
121.01662	0.7
121.02439	0.4
124.02480	1.0
124.03969	10.9
124.04777	0.8
124.05923	2.0
124.07629	0.8
125.07146	1.0
131.01938	0.3
133.03494	0.4
137.02969	15.7
138.03036	0.3
142.03503	4.8
143.01991	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.117
Annotation	Santene
Peak:m/z	Relative Intensity
53.03957	3.9
55.01859	0.7
55.05515	5.4
57.07075	4.9
59.94975	0.7
65.03946	1.2
67.05510	15.3
69.07076	2.5
71.26513	1.0
77.03944	0.7
79.05498	15.6
80.05015	5.3
81.07059	100.0
81.22323	0.6
82.01453	1.3
82.07402	1.6
82.85854	0.6
91.05541	0.6
93.07049	2.9
94.07816	1.4
95.04966	3.2
95.08619	15.9
96.04504	2.1
99.82993	0.7
100.02493	4.0
105.07024	1.5
108.05759	0.9
108.09454	0.8
121.10193	1.6
123.04442	3.5
123.05570	11.3
123.06376	1.0
123.08067	6.3
123.11716	21.5
124.03967	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	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.7
52.36396	0.5
53.03956	3.2
55.01868	1.1
55.05514	4.4
57.07074	5.2
64.06297	0.4
65.03941	2.1
67.05507	17.5
69.07066	3.8
71.49707	0.6
77.03919	0.5
78.03468	0.9
79.05495	17.0
80.05025	8.6
81.03437	0.6
81.07058	100.0
81.63203	0.5
82.01451	2.0
82.07407	0.6
93.07046	2.2
93.56323	0.4
94.07825	1.0
95.04971	6.4
95.08611	16.1
96.04492	3.7
100.02481	4.7
101.24387	0.4
105.03388	1.1
105.04517	1.3
105.07022	1.2
108.05750	0.7
108.09383	1.3
112.04013	0.7
118.03519	1.7
119.01941	0.8
121.10150	2.1
123.04446	6.2
123.05554	15.7
123.08060	6.3
123.09101	0.7
123.11710	24.5
124.03958	3.8
124.05944	0.6
130.04556	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0443
Annotation	Tropolone
Peak:m/z	Relative Intensity
50.01608	0.3
51.02372	1.4
53.03949	14.5
55.01880	0.8
65.03951	0.4
67.05502	4.2
69.04386	0.3
70.79410	0.7
77.03931	4.0
79.05479	0.5
80.05020	3.5
81.03406	1.5
81.07057	1.1
82.01449	0.6
88.48452	0.4
95.04969	100.0
95.79758	0.4
96.04485	1.3
96.05276	0.8
100.02493	1.6
101.00889	0.8
105.04523	7.7
106.02860	0.4
119.01936	1.2
123.04443	20.9
123.05552	9.2
123.06381	0.7
124.03960	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0556
Annotation	Nicotinamide
Peak:m/z	Relative Intensity
53.03948	0.9
55.01867	0.3
57.03448	0.3
60.07090	0.2
68.05022	0.3
69.03443	0.4
69.75034	0.2
70.17993	0.8
70.99841	0.3
78.03457	5.0
78.30639	0.2
78.52973	0.5
79.04229	0.5
80.05019	45.9
81.03390	0.3
81.05370	0.4
82.00981	0.5
82.01448	5.7
82.99856	0.7
85.02913	0.3
95.04961	1.0
95.06108	0.3
96.04494	10.6
97.02898	0.3
100.02487	8.6
100.45383	0.3
101.00890	5.4
105.04514	0.5
106.02919	2.9
109.02869	0.3
113.00864	0.3
115.02420	0.3
118.03541	2.1
119.01925	8.7
123.05556	100.0
124.02546	0.3
124.03951	2.1
124.05909	0.6
131.01909	0.5
137.02960	1.2
142.03496	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	122.0603
Annotation	n-Phenylformamide
Peak:m/z	Relative Intensity
50.01599	0.5
51.02376	1.4
53.03952	17.6
55.01883	1.4
55.89216	0.3
56.21128	0.3
61.52356	0.2
62.30020	0.3
65.03968	0.3
66.04736	0.3
66.25525	0.3
66.55830	0.2
67.05515	2.6
69.66785	1.8
77.03934	4.4
78.03457	0.4
79.05507	0.8
80.05016	0.8
80.93159	0.3
81.03429	1.8
81.07061	1.0
93.05796	5.5
94.06575	100.0
95.04974	34.5
95.06909	0.9
96.05318	0.4
98.20803	0.3
99.78269	0.3
100.02489	0.6
104.05005	16.3
105.03445	0.6
105.04523	10.2
105.05245	0.6
105.07010	0.6
107.07340	0.5
108.05596	0.3
122.06036	69.2
122.09671	1.0
123.04450	1.3
123.05554	1.2
123.06345	0.7
123.08051	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	122.0604
Annotation	n-Phenylformamide
Peak:m/z	Relative Intensity
50.65171	0.7
53.03756	0.7
53.03956	6.4
55.01873	2.0
55.05505	0.8
56.96568	1.1
65.03963	2.1
67.05506	8.9
68.05035	0.9
69.69110	4.6
72.08140	1.1
73.47066	0.8
76.02230	0.8
77.03935	1.8
79.05490	2.9
80.05017	3.3
80.93118	1.2
81.03410	0.7
81.04532	1.0
81.07047	2.9
82.01469	0.8
84.04496	1.7
92.05805	1.1
93.05808	4.2
94.06577	82.0
95.04978	27.1
95.08580	2.0
96.04491	2.1
98.97582	1.0
100.02465	2.3
104.05002	1.4
104.05765	0.9
105.03415	1.5
105.04522	3.3
105.07027	0.9
106.07369	1.4
107.03721	1.0
107.07365	1.3
108.04517	1.1
122.06040	100.0
122.09631	4.4
123.04493	5.4
123.05545	6.5
123.06883	1.5
123.08066	2.4
123.08945	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.5
52.18843	1.0
53.03720	1.3
53.03948	15.7
55.05507	5.3
65.03947	6.5
67.05491	3.6
71.49251	1.1
77.03922	3.2
79.05499	61.3
81.07077	2.5
91.05487	43.2
93.04543	2.1
93.07050	83.3
95.04974	13.8
103.05471	25.1
103.86129	1.2
104.05790	1.5
105.04534	6.5
105.07038	100.0
106.07869	7.1
110.84552	1.1
119.08598	14.2
121.02897	7.5
121.03986	4.9
121.06533	14.1
121.08456	2.3
121.10149	60.6
122.09675	1.5
123.08053	8.6
133.07625	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	122.0603
Annotation	n-Phenylformamide
Peak:m/z	Relative Intensity
51.02379	1.9
53.03950	18.1
55.01852	0.6
65.03954	0.4
67.05504	3.0
70.04680	1.8
77.03934	5.0
79.05490	1.8
80.05010	1.4
80.05843	0.8
81.03424	1.7
81.07055	1.8
83.44022	0.4
92.05799	0.7
93.05793	5.2
93.07019	0.6
94.06571	100.0
95.04971	30.4
95.06905	0.9
96.04496	0.7
96.05341	0.5
100.02492	0.6
104.04996	16.2
104.05692	1.0
105.04513	10.0
106.06566	0.8
106.07309	0.9
107.07341	5.2
110.96397	0.4
119.83469	0.4
122.06033	73.5
122.09662	5.5
122.10478	0.9
123.04565	0.7
123.05558	2.4
123.06367	0.8
123.08080	0.7
141.66747	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1015
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02385	0.7
51.63793	0.4
53.03952	7.3
55.01876	0.7
55.05505	2.7
56.96569	0.4
65.03942	3.4
67.05509	1.0
70.32677	0.9
70.33072	0.7
72.52581	0.4
77.03937	1.7
77.82143	0.3
79.05499	40.8
81.03419	0.7
81.07063	1.3
91.05486	14.2
93.04528	0.9
93.07047	23.4
94.06532	0.7
95.04985	6.5
103.05473	20.2
104.05753	0.5
105.04534	4.0
105.07037	100.0
106.07860	6.6
111.04472	0.5
119.07725	0.7
119.08585	12.9
120.05702	0.8
120.74633	0.4
121.02891	4.1
121.04001	2.0
121.06537	4.3
121.10148	48.6
122.09670	0.5
123.08067	8.5
129.91234	0.4
133.07616	8.1
138.06789	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
52.02432	0.6
53.03951	9.7
55.01876	0.8
55.05509	1.0
57.82599	0.6
59.61152	0.6
64.04255	0.6
65.03941	3.6
67.05502	1.3
71.22501	1.4
77.03926	2.0
79.05498	39.4
81.03422	0.8
81.07056	0.9
91.05485	15.3
91.06026	1.2
93.04514	1.0
93.07046	22.8
95.04973	6.8
103.05471	21.7
105.04585	3.5
105.07034	100.0
106.07839	7.9
119.08582	15.0
119.28653	0.7
120.05722	1.4
121.02879	2.9
121.03996	1.6
121.06534	3.9
121.10149	54.0
122.10484	1.2
123.08068	8.0
133.07620	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	121.1015
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02379	1.7
53.03952	17.2
55.01895	1.4
55.05520	8.4
57.58530	1.3
59.71360	1.4
60.64816	1.3
65.03944	12.7
66.04721	2.7
67.05496	5.9
70.47840	3.0
70.48170	2.6
77.03941	3.7
79.05500	66.0
81.03416	1.4
81.07050	3.7
82.13686	1.3
85.52466	1.1
90.36822	1.5
91.05491	47.6
92.05775	1.8
93.03397	1.6
93.05357	2.0
93.07053	87.2
94.04216	2.5
94.07375	1.8
95.04980	12.3
103.05486	23.6
105.04521	7.3
105.07041	100.0
106.07862	9.7
111.04491	1.7
119.08610	14.9
121.02865	16.0
121.03976	6.0
121.06528	19.3
121.10149	65.2
123.08066	7.3
123.55871	1.4
133.07642	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	121.0651
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
51.02369	2.6
53.03948	27.5
53.58952	0.7
54.04287	0.7
55.01873	4.5
55.05502	2.5
59.76386	0.6
64.27204	0.6
65.03943	5.2
67.05518	3.5
71.28973	0.8
71.38208	0.6
77.03933	6.7
79.05494	21.8
81.03410	2.5
81.07047	1.1
91.05483	77.1
92.05799	1.4
93.03424	1.0
93.04558	1.3
93.07046	79.6
94.04188	0.6
95.04971	27.5
98.03647	0.7
101.95770	0.6
102.04682	1.1
103.05471	78.9
103.40243	0.7
104.05800	1.5
105.04522	15.6
105.07032	21.9
106.07810	1.7
107.14148	0.6
111.04438	0.7
119.08585	4.3
121.02898	4.4
121.04011	2.2
121.06507	100.0
121.10146	15.4
122.06008	0.8
122.06812	0.8
123.08085	2.2
133.07637	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26288	0.4
53.03952	4.6
55.01878	0.6
56.05039	8.9
57.03437	0.9
65.03933	0.9
70.14558	1.6
72.08176	0.6
74.06084	10.6
77.03924	1.4
78.95277	0.5
79.05512	1.0
80.05013	0.8
82.95506	0.4
84.04530	0.7
91.05486	11.2
91.53744	0.5
92.04972	0.4
93.07051	17.2
94.06564	0.9
95.04981	3.6
100.02499	0.6
102.04695	0.5
102.05545	1.3
103.05473	85.1
104.05807	0.9
105.04508	2.0
111.04491	0.4
118.06539	1.3
119.07325	1.0
120.08111	100.0
121.06489	3.1
121.08461	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01577	0.4
53.03951	2.9
54.36892	0.3
65.03946	4.3
67.05491	0.5
70.81242	0.3
71.38242	0.7
77.03925	1.1
78.04707	1.3
79.05500	7.0
91.05485	100.0
92.05836	1.1
93.07047	5.7
94.01705	0.3
95.04954	2.9
102.04661	0.4
103.05470	13.2
103.06161	0.8
104.06254	10.9
105.04512	1.3
109.06501	1.0
115.05460	6.3
116.06218	0.3
117.07023	31.2
118.07371	0.6
119.04947	1.5
119.08585	80.5
120.08900	1.1
121.06479	0.6
131.06039	0.6
132.33545	0.3
138.57475	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03947	3.4
65.03944	4.5
67.05502	0.5
68.82780	0.5
69.50632	3.5
73.04387	0.5
77.03938	0.9
78.04720	2.3
79.05497	7.6
91.05483	100.0
92.05836	1.4
93.07041	5.7
95.04981	2.7
103.05469	12.6
104.06252	13.4
105.04532	1.5
115.05446	5.8
117.07025	27.1
119.04935	1.2
119.08583	99.5
120.08903	1.5
121.06436	0.5
131.06038	0.9
136.79332	0.5
138.27391	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0859
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03951	3.5
65.03948	5.6
69.23478	1.5
69.23895	3.8
78.04716	1.5
79.05498	7.5
91.05488	100.0
92.05805	0.6
93.07053	5.6
95.04971	2.7
103.05473	11.2
104.05632	0.9
104.06262	11.9
105.04510	1.8
109.06520	1.6
115.05453	5.6
117.07029	20.5
119.04947	2.0
119.06079	2.5
119.06851	1.9
119.08589	85.3
120.08089	0.7
120.08925	1.2
121.06489	0.7
131.06024	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0495
Annotation	Benzofuran
Peak:m/z	Relative Intensity
53.03957	1.2
55.58625	0.4
65.03945	14.3
72.84784	0.3
78.04713	0.6
79.05500	2.9
79.19081	0.3
91.05488	100.0
92.05829	0.9
93.07063	1.9
95.04967	1.0
103.05482	4.5
104.06261	4.5
105.04519	0.6
109.06532	0.4
114.95417	0.3
115.05482	2.4
117.07028	10.4
119.04954	13.8
119.08589	32.7
120.08139	0.8
120.08922	0.4
121.47285	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.02385	1.3
53.03946	3.3
55.01875	1.0
65.03938	4.2
71.33865	0.8
71.34189	1.0
72.69607	0.8
76.66843	0.7
77.03930	0.9
78.04706	1.9
79.05495	7.2
91.05483	100.0
92.05823	1.7
93.07042	7.2
95.04964	3.2
103.05470	15.0
104.06261	16.0
105.04510	1.9
106.04807	0.9
109.06542	1.0
115.05452	6.7
117.07021	32.4
119.08587	94.5
120.08970	0.9
131.06122	0.9
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
53.03955	1.4
65.03944	16.6
67.05510	0.5
71.49384	0.6
76.93397	0.5
77.93380	0.9
79.05492	1.4
84.54820	0.4
91.05487	100.0
92.05820	1.1
93.07043	0.8
95.04988	1.2
103.05483	2.7
104.06216	2.0
115.05473	1.2
117.07033	4.0
119.04948	21.1
119.05968	0.9
119.06808	1.1
119.08587	17.1
120.08144	1.2
133.89282	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	0.3
53.03948	0.8
65.03947	17.5
66.04225	0.3
67.01039	0.4
69.18059	1.7
69.18491	1.8
79.05509	1.8
84.65651	0.4
91.05488	100.0
92.05830	0.8
93.07050	1.1
95.04973	0.5
103.05460	2.4
104.06252	1.9
115.05444	1.0
117.07022	3.9
119.04953	25.6
119.06816	0.8
119.08595	14.5
120.08151	0.6
125.19127	0.3
129.04568	0.4
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
53.03945	1.7
54.04279	0.9
65.03615	1.0
65.03944	13.6
65.04284	0.7
79.05495	2.2
91.05486	100.0
92.05806	1.1
93.07037	1.8
93.70242	0.5
95.04976	1.2
96.05295	0.6
98.20753	1.3
103.05453	2.4
104.06245	2.9
104.11740	0.4
105.04530	0.6
109.06533	0.7
115.05453	1.3
117.07043	5.4
119.04950	20.3
119.06044	1.8
119.06864	1.7
119.08582	20.0
120.05517	0.6
120.08104	1.2
135.12474	0.5
136.92645	0.5
138.85657	0.4
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
53.03953	1.2
64.22427	0.5
65.03944	15.0
69.62231	2.0
69.62639	0.9
73.08471	0.5
78.93140	0.8
79.05498	2.3
90.81177	0.5
91.05485	100.0
92.05016	0.7
92.05817	1.3
93.07043	1.9
103.05492	5.6
104.06226	2.6
105.04510	0.8
107.62610	0.4
109.06509	0.5
115.05462	1.2
117.07026	5.1
119.04947	22.9
119.06001	1.2
119.06792	0.9
119.08582	21.0
120.04387	0.5
120.05611	0.5
120.08125	2.8
122.99196	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83558	1.9
56.96566	42.7
57.03427	5.2
58.99862	2.7
61.02941	4.2
61.34456	2.0
65.03941	10.5
67.05483	3.5
69.03420	5.3
69.07095	4.6
71.48612	3.2
73.02906	6.1
74.00238	3.0
77.00864	2.8
79.05548	2.2
81.01043	2.4
81.03419	2.5
82.01431	10.4
82.99846	7.4
83.00801	4.4
83.01492	2.5
85.02895	3.3
89.00743	3.9
90.01549	3.9
91.05486	51.5
92.02496	5.3
97.02883	6.6
98.01314	3.9
98.97591	24.8
100.02487	9.6
101.00880	46.9
103.02405	2.7
107.05276	5.1
110.01279	3.9
110.97552	4.8
111.20567	1.9
116.98558	4.9
118.03562	3.0
119.01067	4.9
119.01921	100.0
119.03553	15.5
119.04874	4.4
135.31802	2.4
137.02989	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	10.3
70.78269	4.6
70.78602	6.7
73.29605	3.4
80.02952	4.8
80.06258	4.0
82.01443	4.1
82.99844	7.4
83.53873	3.7
85.01402	5.7
91.05489	13.1
93.07051	4.9
100.02485	7.9
101.00887	57.5
103.02448	8.3
107.05267	10.2
108.05203	4.2
110.69962	3.5
117.42289	3.7
119.01930	100.0
126.94296	3.4
137.02942	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0866
Annotation	L-Valine
Peak:m/z	Relative Intensity
53.03950	1.0
55.05515	20.1
56.05037	1.3
57.05826	1.4
58.06604	5.6
59.05008	0.6
59.07388	6.7
62.13294	0.3
70.06588	0.3
70.67898	0.4
70.68239	0.5
72.08160	100.0
73.08498	0.6
79.05468	0.3
82.01484	0.5
83.97261	0.4
89.25530	0.3
90.03790	0.7
103.66253	0.3
112.07619	0.5
113.65570	0.4
118.06525	0.8
118.08660	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	118.0655
Annotation	Indole
Peak:m/z	Relative Intensity
53.03947	2.2
55.05514	2.1
56.05037	2.1
58.06594	1.2
59.07368	0.9
59.93108	4.2
65.03941	1.4
70.06121	3.4
72.08163	11.3
72.70001	0.8
73.01095	0.8
75.13866	0.8
76.93375	34.4
78.53644	0.8
78.88917	1.1
90.03778	3.4
91.05490	43.6
94.94408	8.3
95.05013	1.3
108.79175	0.8
117.05784	4.7
117.95997	3.6
118.06554	100.0
118.08681	3.1
118.96744	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	1172.7097
Annotation	Unknow
Peak:m/z	Relative Intensity
87.04467	10.3
87.04984	0.7
89.06027	36.3
91.05479	4.7
93.07043	0.5
95.04959	3.0
103.05466	6.8
105.04527	1.3
105.07028	100.0
106.07373	1.2
106.95476	0.3
113.06036	0.6
115.05426	0.5
115.07571	0.4
116.06258	0.5
117.07027	1.2
117.09133	2.7
119.08538	0.7
121.06493	2.2
128.06207	0.7
129.07008	1.2
130.08669	0.7
131.07050	3.3
131.08559	6.2
133.08600	27.6
134.08960	0.6
138.98882	0.4
147.08052	3.2
149.09656	0.8
159.10182	0.4
161.11739	0.9
165.07021	0.5
171.08086	0.4
173.09583	0.7
175.09651	3.0
177.11218	11.0
181.10138	0.7
219.12260	0.6
221.13832	1.7
223.11215	1.1
225.12733	5.6
227.12834	0.8
249.12660	0.6
251.14311	16.0
252.14735	0.5
253.15933	4.9
265.16415	0.5
267.13763	0.6
269.15430	1.0
283.17340	0.4
295.16925	1.0
311.16534	1.0
313.17993	0.7
315.17960	0.6
327.17328	3.9
329.19000	15.5
329.23001	0.7
353.18948	1.0
355.20285	0.6
371.20074	0.6
373.21707	4.4
401.22791	0.4
441.26724	0.4
477.27872	6.1
485.16342	0.4
508.61774	0.5
1172.69141	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0655
Annotation	Indole
Peak:m/z	Relative Intensity
50.04830	2.2
51.02370	9.2
53.03948	68.1
55.01854	5.9
55.05506	7.5
56.76375	2.2
58.06603	23.8
59.07384	20.1
59.30286	2.8
59.93097	8.5
65.03943	4.0
69.68407	8.4
69.68811	5.2
72.08160	41.2
76.92921	3.4
76.93371	63.7
77.03927	9.6
81.03423	8.4
91.05484	56.3
94.94415	23.4
95.04969	63.8
105.04510	41.5
112.95464	3.7
116.05775	3.9
117.07011	8.8
117.95998	13.5
118.06547	100.0
118.07279	3.8
118.08660	58.4
118.12341	3.8
118.96751	3.8
119.06075	2.7
119.08585	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	116.0709
Annotation	L-Proline
Peak:m/z	Relative Intensity
54.45483	0.2
55.56374	0.2
55.90292	0.2
57.93575	1.5
58.99586	0.2
61.34216	0.2
63.02389	0.2
68.05032	0.5
69.05794	0.4
70.06595	100.0
71.06933	0.6
71.48920	0.2
72.04518	0.2
74.93832	11.9
75.93625	0.2
81.20930	0.2
85.02855	0.2
89.03915	0.7
91.05481	0.3
92.94867	3.2
101.03010	0.3
110.95877	0.3
115.05422	1.1
115.96432	1.7
116.04353	0.2
116.05322	0.7
116.06266	0.8
116.07091	8.7
116.10721	0.4
116.97219	0.7
117.07024	0.5
126.22809	0.1
132.11456	0.2
133.27299	0.2
133.97484	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.0529
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06806	5.0
57.07078	100.0
59.42843	2.1
69.90321	10.9
70.06588	11.3
74.93820	5.6
75.20787	2.1
98.20663	3.1
100.68963	2.0
108.87045	2.3
111.01693	2.0
113.30593	2.8
117.69646	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1158.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
81.16348	0.3
82.61308	0.3
91.05478	0.5
105.06982	0.5
160.39256	0.3
163.03944	0.3
203.48361	0.3
238.82323	0.3
439.13965	0.5
444.18054	0.4
453.15948	0.5
454.16986	0.7
455.13187	0.7
456.14005	0.5
457.14743	0.6
467.12668	0.5
467.18024	0.8
468.13705	2.0
469.14795	7.0
470.15491	2.2
471.16092	1.5
481.15070	2.4
482.15866	10.4
483.16562	9.9
484.17038	3.3
485.17294	2.2
487.15897	0.4
493.18958	0.4
495.16803	2.0
496.17520	5.6
497.18243	35.6
498.18604	8.2
499.18607	5.3
500.17764	0.8
510.19540	1.6
511.19974	5.0
512.20056	1.8
513.20093	0.9
515.19507	1.2
516.20215	0.3
523.16638	0.4
528.16168	1.6
529.17395	0.8
538.20294	0.7
539.21643	0.5
541.17316	0.8
542.18219	2.1
543.17950	0.8
555.18451	2.3
556.19330	3.4
557.20135	4.1
558.20154	1.1
559.19904	0.6
562.96802	0.4
571.21478	0.5
573.23309	0.5
585.22925	0.5
611.21649	0.4
616.21210	1.7
617.21948	0.9
625.22101	0.4
629.22723	0.7
630.24072	0.6
631.22754	0.6
643.15399	0.3
643.23999	10.5
644.24677	13.5
645.24347	4.0
646.24554	2.4
657.25531	9.5
658.25641	1.8
659.25244	1.7
660.24255	1.9
675.26636	100.0
676.26953	16.9
676.36646	0.3
677.26843	17.0
678.26501	0.7
1030.36597	0.4
1137.52441	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	0.4
55.01869	1.0
57.93560	0.9
59.04999	4.0
59.14219	0.4
65.03931	1.7
66.55029	0.4
69.03427	1.1
69.07057	1.6
70.06607	2.2
71.48656	0.4
72.93787	2.3
73.93835	1.8
74.93829	4.9
80.46571	0.4
85.02865	0.6
86.80761	0.4
87.04472	3.1
89.03921	5.4
91.94870	0.7
92.94847	1.4
97.02896	0.9
114.10154	0.4
114.41730	0.5
115.03928	4.7
115.05457	100.0
115.09425	1.0
115.96402	0.5
116.05788	1.5
122.73347	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1150.5648
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03419	34.3
81.07056	18.1
82.03735	0.5
83.01346	0.9
83.04977	5.6
83.08622	3.8
85.02902	76.4
86.04420	0.5
87.00824	32.3
91.03958	1.1
91.05482	6.7
93.07040	12.2
95.04971	5.5
95.08604	33.0
96.08916	0.6
97.02889	43.8
97.06506	0.7
97.10165	2.1
99.00829	0.4
99.04453	13.9
101.02386	2.2
103.03954	5.3
103.05454	0.9
103.21268	0.4
105.01864	42.1
105.04490	0.8
105.07030	8.8
107.04945	1.2
107.08595	16.4
109.02877	54.4
109.06510	1.3
109.10153	28.8
110.03722	0.7
111.00784	1.0
111.04440	7.3
111.11710	2.0
113.02382	1.3
113.05914	0.4
115.03930	1.5
115.05445	0.8
117.01855	2.3
117.07037	1.5
119.04911	1.3
119.08582	9.9
119.36028	0.5
121.02831	1.3
121.06528	0.8
121.10142	15.5
123.04436	8.0
123.08035	0.8
123.11702	11.9
125.02335	4.1
125.06042	0.6
127.03915	100.0
128.04248	1.2
129.01814	3.7
129.05493	1.3
129.07001	1.0
130.07751	0.6
131.08565	4.5
133.06505	0.7
133.10120	5.7
135.04375	0.9
135.11694	12.8
137.05972	1.8
137.09563	0.5
137.13255	5.8
139.03915	4.0
141.05467	1.8
143.03432	1.2
143.08527	1.5
145.04959	21.3
145.10112	7.4
146.10828	0.6
147.02884	3.4
147.04375	1.7
147.06546	1.9
147.08067	1.3
147.11687	7.9
149.02350	0.7
149.05969	0.9
149.13260	10.9
151.03906	7.7
151.07481	1.4
151.14827	0.7
153.01859	0.8
153.09116	0.8
155.03342	0.5
155.08508	0.5
157.10117	1.1
158.10902	0.8
159.02873	9.0
159.08034	1.0
159.11697	6.3
161.05988	1.3
161.09630	0.7
161.13245	5.3
163.03886	1.4
163.07527	0.6
163.11133	0.7
163.14818	7.5
164.04665	0.6
165.05435	4.2
165.09151	0.9
169.04968	13.6
171.02885	4.8
171.11678	1.2
173.04532	0.6
173.09665	1.7
173.13251	6.7
175.03870	2.3
175.11208	1.1
175.14833	5.5
177.03983	0.5
177.05440	0.7
177.09132	1.4
177.16379	5.4
179.17963	1.1
181.04919	2.3
185.13278	0.8
187.06007	8.5
187.11133	0.7
187.14819	4.2
189.03941	22.7
189.05450	2.3
189.12811	0.5
189.16454	2.3
191.10686	2.3
191.14279	1.1
191.17932	10.0
193.04958	7.9
193.15921	1.5
195.02911	1.7
199.14877	0.7
201.03978	0.6
201.12744	10.0
201.16373	2.5
203.14294	2.0
203.17932	2.5
205.05179	0.8
205.12256	1.6
205.15840	1.8
205.19505	9.5
207.06526	1.1
211.06046	4.3
213.03931	29.2
213.16405	0.7
215.05518	1.3
215.14377	2.2
215.18010	1.3
217.04994	1.5
217.15891	0.9
217.19516	1.9
219.13805	16.8
219.17253	0.9
219.21085	5.9
221.15373	4.3
229.07022	2.5
229.15923	1.3
231.04997	51.1
231.21216	0.5
232.05360	0.9
233.06538	4.3
233.15375	3.4
235.05962	5.0
235.16867	1.7
237.14824	6.4
245.06738	0.6
247.04495	1.4
247.16917	3.2
249.06056	22.0
251.16470	3.0
253.07068	6.5
255.05006	5.5
259.04483	1.1
259.16785	0.6
261.18478	1.3
265.18030	0.9
267.05045	0.7
269.06583	1.4
271.08179	2.1
273.06042	82.6
274.06305	1.2
275.20007	1.1
285.06125	1.3
291.07019	2.8
293.06522	0.8
295.07980	0.6
297.06018	4.4
299.04062	1.2
303.07224	0.7
315.07065	12.1
315.23038	0.5
321.06064	3.7
329.24533	1.1
333.04440	0.6
333.08145	6.2
339.07089	18.5
340.07336	1.0
343.26068	1.0
347.25809	0.7
357.08160	16.3
361.27454	3.8
369.35367	0.5
373.27322	1.4
375.09125	3.4
377.07101	1.0
393.10168	2.9
393.35129	0.8
395.36691	0.9
399.09320	0.6
411.11356	0.8
411.36096	2.3
421.34683	5.1
425.07260	4.5
435.11176	0.9
439.35709	18.0
440.35956	0.9
441.37698	0.5
443.08215	17.3
452.75580	0.5
455.35248	0.6
457.36777	23.7
458.36646	1.2
461.09283	45.0
462.09503	1.3
479.10352	29.8
480.10684	0.8
497.05801	0.5
497.11499	6.5
669.39655	1.0
755.08514	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00317	0.8
53.03955	2.7
53.99828	1.1
54.03480	1.0
55.01884	1.0
55.05517	36.0
56.05041	2.9
57.07090	1.1
58.06606	2.2
65.03942	2.1
67.05520	3.6
68.05036	4.9
68.99793	0.7
69.03444	1.3
69.04560	4.0
69.05380	1.4
69.07073	100.0
70.02962	1.1
70.04095	1.8
70.04892	1.3
70.05334	1.2
70.06599	41.8
71.02476	0.7
71.06119	2.1
71.07388	1.3
71.49141	0.7
71.49538	1.0
82.05347	1.2
82.06592	0.7
83.04987	2.4
83.06108	7.6
84.06432	1.0
84.08147	2.2
85.07677	1.8
88.00490	5.7
91.05489	1.2
93.04579	0.8
93.07049	1.1
94.04839	0.7
94.06579	3.7
95.04971	0.9
95.06130	1.6
95.20386	0.6
96.05623	3.7
96.06877	2.1
97.01011	2.6
99.51280	1.8
110.07172	11.3
111.02014	0.7
111.04465	5.5
111.05607	12.6
111.06330	1.3
111.06750	2.3
111.07396	9.9
111.08042	4.1
111.09209	80.5
112.05095	1.2
112.07574	1.5
112.08744	15.9
112.09480	0.8
115.96426	1.6
116.97243	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1128.684
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05494	6.6
81.03425	0.3
87.04472	9.5
89.06033	37.4
91.05478	4.3
93.07079	0.5
95.04990	2.2
98.21468	0.3
103.05472	6.8
105.07034	100.0
106.07355	1.1
107.04950	0.3
107.07098	0.7
113.06001	0.7
115.05463	0.5
115.07526	0.3
116.06216	0.5
117.07023	0.6
117.09152	2.0
118.06552	0.2
119.04944	0.3
119.08608	0.7
121.06506	2.3
124.83363	0.2
128.06239	0.5
129.07016	1.4
130.08670	0.9
131.07071	3.0
131.08566	6.9
133.08609	27.8
133.10222	0.7
147.08057	2.4
149.09641	0.9
157.08653	0.3
159.10168	0.4
161.11732	0.7
165.07019	0.4
165.09117	0.3
166.07707	0.3
167.46747	0.2
173.09650	0.6
175.09705	2.3
175.11096	0.4
177.11226	9.8
179.08601	0.5
181.10129	0.6
183.11659	0.3
184.07330	0.3
191.10672	0.4
193.10341	0.2
209.13365	0.3
219.12292	0.8
221.13823	1.9
223.11160	1.0
225.12764	5.4
239.14861	0.4
249.12766	1.0
251.14337	15.3
252.14638	0.4
253.15945	3.9
265.16400	0.2
267.13815	0.8
267.17746	0.3
269.15381	1.2
271.15372	0.5
283.17471	0.5
295.16843	0.7
301.15714	0.3
309.18973	0.4
311.16299	0.7
313.17914	0.8
315.17825	0.4
327.17447	2.9
329.18997	14.5
330.19363	0.5
353.18924	0.7
355.20468	0.6
357.20486	0.4
371.20032	0.9
373.21655	3.9
397.24432	0.3
417.24216	0.3
433.25296	0.4
477.27930	5.4
486.16202	0.2
1111.65405	0.4
1128.69568	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	110.9757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	5.1
53.52120	0.8
55.01875	8.9
55.05516	30.8
55.93513	1.3
56.05022	2.8
56.96568	100.0
57.03424	2.9
58.50530	1.7
58.99866	1.4
59.25502	0.8
59.89812	0.7
65.03944	15.3
67.01842	1.0
67.05507	8.2
67.51057	3.9
68.00247	1.6
68.02623	2.7
68.05019	2.2
68.99783	2.2
69.03433	13.7
69.04564	2.6
69.07059	2.2
69.34914	7.7
70.06610	5.0
70.94263	2.9
70.95860	3.4
71.53044	0.9
71.94896	1.6
71.95270	21.6
72.96033	3.3
73.51050	2.2
75.01038	2.0
76.51586	1.1
77.00790	2.0
79.01838	1.5
79.05480	1.0
81.03428	6.4
81.04498	1.3
82.01446	5.7
82.05325	23.8
82.06549	1.1
82.51559	1.7
83.00761	1.4
83.01530	1.1
83.04988	32.1
83.05634	1.5
83.06100	26.8
83.08633	1.2
84.01544	2.6
84.02003	1.0
84.04529	1.2
84.06435	0.9
84.08114	2.8
84.96029	3.7
85.02878	1.1
85.53709	2.4
87.99404	0.9
88.00478	7.3
88.01764	1.0
88.95274	1.1
89.00787	1.9
91.05485	1.2
91.53728	1.4
92.01293	1.4
93.03377	5.8
93.04595	1.0
93.07015	1.3
95.00726	1.2
95.02441	3.3
95.04956	1.7
95.06078	2.7
96.06843	2.2
97.01003	2.3
97.02301	1.0
98.01274	0.9
98.21584	1.9
98.97593	6.9
99.04285	0.9
100.01867	1.2
100.02494	14.9
101.00871	1.5
101.02560	2.9
102.02257	1.5
108.02391	1.8
109.00506	1.7
110.97580	25.3
111.04431	39.7
111.05556	31.9
111.06340	2.7
111.08083	2.3
111.09203	19.9
112.05109	12.1
112.07618	7.7
115.01129	1.2
115.96450	2.8
116.98630	0.9
118.03554	4.4
118.04243	0.8
119.01928	1.9
128.98615	27.6
129.03981	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	1095.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03899	0.2
78.04724	0.5
79.05494	0.3
81.03417	4.6
82.03683	0.2
83.04984	2.0
85.02907	1.8
87.84726	0.2
89.03340	0.4
89.03915	9.9
91.05481	12.2
92.05746	0.2
97.02885	0.8
99.04435	0.4
103.05447	0.3
106.04150	0.5
109.02885	1.9
111.04437	1.9
117.03381	21.1
118.03708	0.2
119.04945	20.2
123.04407	0.4
127.03928	1.0
129.19101	0.2
131.04915	0.3
134.03606	1.7
135.04422	1.2
137.02339	1.3
137.05978	1.0
145.02847	48.1
146.03183	0.7
147.04411	97.5
148.04761	1.5
149.05983	7.1
151.03926	0.5
161.05930	0.2
162.03082	0.2
163.03940	0.8
165.01947	0.2
165.05479	4.0
177.05470	100.0
178.05762	1.3
179.03459	0.2
185.06026	0.2
186.05508	0.8
189.05431	0.8
191.07092	0.2
195.06529	0.9
199.07495	0.2
213.09097	0.2
215.07022	0.2
216.07626	0.2
217.08632	0.3
225.05467	0.3
226.06116	0.2
229.04999	0.4
237.07674	0.2
241.08537	0.5
243.10042	0.4
257.08105	0.4
259.09592	0.4
269.07986	0.5
273.07532	0.2
287.09106	1.1
291.08624	3.7
293.10010	0.2
299.05414	0.5
303.05075	2.4
303.08447	0.4
305.10205	0.9
309.09714	5.1
310.67194	0.2
315.01511	0.3
315.04984	3.7
316.05685	0.7
321.09637	3.4
323.11307	0.3
327.05090	1.0
329.02618	0.2
329.06500	0.3
335.42877	0.2
339.04831	0.3
339.10803	4.4
341.06461	0.5
345.06061	4.9
353.06509	0.4
357.05893	0.4
367.07922	0.4
369.05994	1.5
387.06946	0.3
395.07434	1.5
399.88138	0.2
413.08636	2.9
431.09540	2.3
431.14429	0.2
437.08533	0.2
449.10678	5.0
450.11102	0.2
471.38486	0.2
485.14545	0.6
595.14600	0.2
625.15582	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00324	0.6
53.03949	4.1
55.01872	0.8
55.05516	10.8
55.99391	0.4
63.66992	0.4
65.03949	5.1
65.83909	0.4
67.05507	100.0
68.05043	2.5
68.05840	0.8
69.04559	1.2
69.07073	8.1
69.94106	2.1
79.05497	8.9
80.05029	0.7
80.06281	1.2
81.03426	6.3
81.07057	31.4
82.06576	1.1
84.53185	0.4
91.05487	1.7
92.05793	0.7
94.07813	1.8
107.08617	3.8
109.02886	2.4
109.06519	2.7
109.07649	6.7
109.10159	46.3
110.06043	2.4
110.07166	5.3
110.10477	0.7
117.10454	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
52.89487	0.4
53.03942	5.3
54.03461	0.8
55.05514	11.4
56.05038	1.8
59.24201	0.5
65.03947	6.1
66.03477	0.6
67.03023	0.9
67.04252	1.4
67.05508	100.0
68.05031	13.8
68.05848	0.6
69.04556	8.9
69.05814	1.1
69.07070	6.9
69.22463	3.3
69.22890	1.7
79.05496	10.9
80.05022	1.4
80.06284	1.0
81.03422	6.9
81.04554	1.3
81.05791	0.8
81.07060	31.3
82.06586	7.2
83.06114	2.9
91.05490	2.0
92.04991	1.6
92.05821	0.9
93.04541	2.2
94.04220	0.8
94.07823	1.7
107.08598	4.0
108.67339	0.5
109.02879	1.2
109.04041	0.9
109.05237	0.7
109.05932	0.7
109.06601	3.3
109.07653	43.5
109.10160	48.2
110.06084	4.6
110.07172	41.2
111.05578	0.8
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
53.00321	0.2
53.03950	1.4
55.01868	0.2
55.05513	11.3
56.42264	0.2
65.03947	4.4
67.05506	100.0
68.05004	0.4
68.05828	0.7
69.07071	7.4
79.05496	9.1
80.06285	1.3
81.03416	1.6
81.07056	32.2
82.06570	0.3
82.07376	0.2
91.05473	0.8
94.07806	1.5
105.07033	0.7
107.08599	3.8
109.02834	0.3
109.06539	1.0
109.07723	1.1
109.10158	46.7
110.06020	0.5
110.07156	0.6
110.10526	0.6
119.06007	0.3
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	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
50.01601	0.9
51.02380	2.5
53.00309	2.1
53.03951	46.5
55.01874	3.5
55.05516	10.4
65.03944	5.0
67.05508	100.0
67.93577	1.7
68.05837	0.6
68.26160	0.7
68.95280	0.7
69.07074	6.7
70.61510	1.7
77.99963	1.0
79.05498	16.9
80.06278	1.8
81.03422	83.3
81.07061	36.9
82.06582	1.3
82.07390	0.6
86.00729	0.8
87.00473	4.5
91.05465	4.6
94.04199	2.8
94.06132	0.7
94.07826	1.5
96.01013	0.8
107.04945	2.0
107.08600	3.5
109.02885	23.9
109.06525	18.2
109.07647	3.0
109.08486	2.2
109.10165	40.7
110.03178	0.8
110.06062	6.4
110.10452	0.9
113.96415	1.7
119.06107	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0651
Annotation	o-Cresol
Peak:m/z	Relative Intensity
51.02375	2.0
53.00304	1.1
53.03952	42.8
55.01876	7.5
55.05512	9.7
59.48970	0.7
65.03949	8.8
66.04720	2.2
66.80563	0.6
67.05509	88.4
67.93573	2.2
69.07076	5.0
79.05499	55.0
80.06280	0.9
80.91042	0.7
81.03424	58.8
81.07060	64.5
82.77559	0.6
85.05993	0.7
91.05492	13.7
94.04202	5.4
95.04986	1.1
105.04502	1.1
107.04974	2.2
107.08597	3.0
109.02888	16.6
109.06525	100.0
109.10160	40.7
110.06062	1.9
110.06790	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0652
Annotation	o-Cresol
Peak:m/z	Relative Intensity
50.93088	0.6
51.02389	1.8
53.00312	1.3
53.03951	31.8
55.01876	7.3
55.05517	9.3
61.13421	0.4
65.03942	8.5
66.04717	1.6
67.05508	85.6
67.93571	1.6
68.44281	0.5
69.07067	5.4
71.48427	0.7
79.05499	54.7
80.06270	1.2
81.03425	50.4
81.07061	60.4
87.00468	0.6
91.05487	15.9
94.04197	6.5
94.07839	1.4
95.04985	0.9
99.72037	0.5
107.04965	2.1
107.08624	3.0
109.02892	12.2
109.06525	100.0
109.10160	39.6
110.06054	1.9
110.06825	0.7
127.05133	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0288
Annotation	o-Benzoquinone
Peak:m/z	Relative Intensity
50.01604	0.5
51.02384	2.7
53.00311	1.1
53.03950	58.3
53.82681	0.5
55.01876	3.6
55.05511	4.0
55.82375	0.4
65.03940	2.4
67.05507	41.8
69.07076	2.2
69.30936	3.2
69.31341	1.3
70.92053	0.5
74.27044	0.5
79.05498	6.0
80.06284	0.6
81.03423	100.0
81.07056	16.6
82.03748	1.0
87.00475	0.8
91.05469	1.2
94.04182	1.2
99.53081	0.4
104.17432	0.5
107.08601	1.5
109.02889	36.2
109.06518	4.5
109.07653	0.8
109.10160	17.1
110.06062	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	1084.6569
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03923	1.0
79.05492	6.9
81.03396	0.2
87.04468	8.6
89.06028	34.6
90.06367	0.2
91.05477	3.9
93.07044	0.3
95.04961	2.6
98.21420	0.2
103.05464	6.4
105.07029	100.0
106.07371	1.1
107.04971	0.4
107.07063	0.5
113.06005	0.7
115.05441	0.4
115.07562	0.3
116.06223	0.4
117.07030	0.6
117.09135	2.0
119.04929	0.2
119.08564	0.8
121.06496	2.4
128.06221	0.4
129.07047	1.2
130.08649	0.7
131.07071	2.6
131.08560	6.9
133.08603	25.6
133.10202	0.7
134.08937	0.3
135.08014	0.3
135.10135	0.3
143.08601	0.2
145.06490	0.4
145.10066	0.2
147.08040	2.9
147.11690	0.2
149.09592	1.0
157.08630	0.3
159.08147	0.2
159.10208	0.4
161.11736	0.7
165.07004	0.4
165.09132	0.4
166.07787	0.5
167.08475	0.2
169.10098	0.2
173.09619	0.6
175.09673	1.8
177.11218	8.5
178.07666	0.2
178.11673	0.2
179.08549	0.4
179.12927	0.2
181.10152	0.7
191.10596	0.3
192.09305	0.3
193.10422	0.2
193.12128	0.2
196.79425	0.2
198.98526	0.1
204.09352	0.2
205.10188	0.3
207.11693	0.2
208.08824	0.2
209.11739	0.3
219.12257	0.6
221.09518	0.2
221.13857	1.6
223.11154	1.0
223.15286	0.3
225.12735	6.6
227.12773	0.4
235.14818	0.7
239.14658	0.2
249.12770	0.6
251.14314	13.7
252.14613	0.3
253.15961	3.0
265.16534	0.5
267.13794	0.6
267.17694	0.4
269.15396	1.1
270.53537	0.2
271.15442	0.3
283.17426	0.5
295.16934	0.8
301.15979	0.3
309.19034	0.4
311.16284	0.9
313.17825	0.9
315.18042	0.4
327.17383	2.8
329.18994	13.1
330.19354	0.3
339.19656	0.3
353.18655	0.3
355.20346	0.5
357.20660	0.3
371.20010	0.7
373.21628	4.6
375.21640	0.2
392.74606	0.2
397.24246	0.2
419.24103	0.4
447.40454	0.2
477.27924	5.5
478.27466	0.2
548.12396	0.2
603.55139	0.2
963.55121	0.4
1067.63074	0.3
1084.66443	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1084.6572
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03912	1.0
79.05496	7.1
81.03413	0.2
87.04470	8.1
89.06033	35.8
90.06341	0.2
91.05482	3.7
93.07069	0.4
95.04970	2.0
95.08578	0.2
103.05473	6.3
105.07034	100.0
106.07366	1.4
107.07079	0.5
113.06029	0.5
115.05463	0.5
115.07569	0.3
116.06241	0.4
116.63187	0.1
117.07014	0.5
117.09148	2.2
118.06586	0.2
119.04938	0.3
119.08554	0.8
121.06525	2.3
128.06224	0.4
129.07016	1.4
130.08636	0.7
131.07069	3.0
131.08566	6.7
133.08607	25.7
133.10196	1.0
134.08911	0.2
135.10127	0.2
145.06502	0.4
147.08054	2.2
149.09592	0.7
157.08612	0.3
157.10170	0.2
159.10173	0.3
161.11742	0.7
163.11252	0.2
165.06995	0.3
165.09148	0.4
166.07741	0.4
167.08560	0.2
173.09639	0.5
175.09700	2.1
175.11177	0.3
177.11227	9.4
178.07774	0.2
179.08534	0.3
179.12888	0.2
181.06345	0.1
181.10141	0.7
191.10655	0.4
192.09247	0.2
193.10376	0.2
193.12332	0.2
203.08498	0.2
207.11725	0.3
209.09863	0.2
209.11630	0.2
209.13353	0.2
219.12349	0.4
221.13838	1.7
223.11186	0.9
223.15404	0.2
225.12746	6.1
226.13147	0.2
227.12802	0.4
235.14870	0.6
237.12988	0.2
239.14668	0.2
249.12787	0.7
251.14319	14.2
252.14624	0.5
253.15956	3.7
256.45618	0.1
265.16492	0.6
267.13815	0.6
267.17578	0.3
269.15424	1.1
271.15491	0.3
283.17590	0.4
295.16913	0.8
309.19073	0.3
311.16354	0.7
313.18021	1.0
315.17926	0.3
325.15915	0.2
327.17337	2.6
329.19003	13.4
330.19357	0.3
353.18704	0.8
355.20319	0.5
357.20844	0.4
359.20731	0.2
371.19788	1.0
373.21661	3.9
375.21603	0.2
397.24185	0.2
415.22772	0.4
419.23666	0.3
431.23575	0.2
433.25439	0.3
463.27350	0.3
477.27917	4.4
478.28140	0.3
507.29733	0.2
832.40222	0.2
963.56671	0.2
1067.62268	0.3
1084.66174	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.086
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
53.03946	3.4
55.01867	0.6
55.05503	0.5
61.00625	0.5
62.99080	0.6
65.03944	13.9
67.05510	5.5
69.21818	3.7
77.03923	0.6
79.05498	32.5
91.05487	100.0
92.05772	0.7
92.06270	2.7
95.04970	2.6
103.05513	0.5
105.04557	1.2
105.07036	25.7
106.04185	1.0
107.04980	3.4
107.08599	27.3
108.04475	0.5
109.06528	7.7
119.06075	7.1
124.05199	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.8
53.72900	0.3
55.01874	0.5
55.05508	0.7
65.03945	13.9
65.04293	0.7
67.05506	4.6
68.56692	0.4
69.14227	1.4
69.14646	2.0
74.17867	0.3
77.03915	1.0
79.05495	36.4
80.05828	0.4
91.05484	100.0
92.05788	0.8
92.06286	4.2
95.04964	2.7
103.05495	0.4
104.75011	0.3
105.04517	1.5
105.07036	26.3
106.04163	0.9
106.51791	0.3
107.04970	5.1
107.08595	29.1
108.08089	0.4
109.05829	0.3
109.06511	8.2
119.06073	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	107.0859
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.02383	0.5
53.03949	4.2
55.01871	0.8
59.40971	0.4
65.03942	13.6
67.05511	3.7
69.16898	0.3
69.69863	1.8
77.03945	1.2
79.05495	27.0
80.05066	0.4
81.03433	0.4
88.77480	0.4
91.05484	100.0
92.05801	0.8
92.06275	2.5
95.04945	4.1
99.24979	0.4
103.05500	0.5
105.04562	1.9
105.07035	28.5
106.04170	1.2
106.07275	0.4
107.04305	0.7
107.04961	8.0
107.05643	0.6
107.08596	28.0
107.85953	0.3
108.08151	0.6
109.06520	9.1
109.07272	0.5
119.06071	8.0
124.05148	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.086
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
53.03965	1.4
55.01871	0.5
55.05502	0.3
63.02381	0.4
65.03944	13.3
67.05510	2.8
68.40051	0.3
69.21407	2.4
69.21817	0.5
74.12366	0.2
77.03917	0.6
79.05499	12.2
79.05970	0.6
80.05837	0.4
91.05487	100.0
91.92152	0.3
92.05800	0.6
92.06287	2.7
95.04972	1.5
103.05431	0.3
105.04575	0.5
105.07037	29.9
105.56004	0.3
106.04182	0.7
107.04966	2.0
107.06979	0.9
107.08598	33.9
108.08846	0.3
109.06519	10.8
119.06070	9.7
124.05226	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0496
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01604	0.3
51.02384	1.0
53.03954	9.0
53.69972	0.2
55.01876	0.8
56.96579	1.1
60.23414	0.2
62.99071	0.5
64.95555	0.3
65.03948	0.5
66.93379	0.2
69.43382	1.1
69.43790	0.4
77.03938	2.8
79.05500	100.0
80.05840	1.0
81.03414	1.0
91.05492	2.8
95.04977	7.4
96.41138	0.2
105.04520	4.6
105.07044	0.6
106.06590	0.2
107.04964	24.3
107.08601	0.6
108.05325	0.3
108.08131	0.3
109.06525	0.2
119.06059	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1064.5644
Annotation	Unknow
Peak:m/z	Relative Intensity
76.09315	0.5
79.05487	7.4
81.02930	1.0
81.03416	22.9
81.07056	23.8
83.01347	1.0
83.04991	1.4
83.08618	5.7
85.02905	100.0
86.03251	0.7
87.00827	48.4
91.03951	1.2
91.05473	6.4
93.07043	15.5
95.04976	1.3
95.08605	45.0
97.02891	40.7
97.10159	3.1
98.20844	0.6
99.04454	12.0
101.02375	1.0
103.03953	1.7
105.01865	93.6
105.07029	10.0
105.07691	0.7
106.02180	0.5
107.08594	21.1
109.02882	37.3
109.10155	39.6
111.04475	1.1
111.08084	0.9
111.11723	2.2
113.02426	0.6
115.03941	1.1
117.01851	2.1
117.07008	2.1
119.08572	11.0
121.06516	0.7
121.10148	21.9
123.04475	0.7
123.08067	1.4
123.11713	16.1
125.02374	0.8
125.06024	0.6
125.09643	0.6
127.03916	87.7
128.04237	0.7
128.06218	0.5
129.01857	3.5
129.05412	0.5
129.06949	0.8
131.08553	5.2
133.10146	8.9
135.08070	0.9
135.11688	16.7
137.05962	0.8
137.13252	8.6
139.03947	0.8
139.68744	0.4
143.08569	1.2
144.09372	0.8
145.04961	34.0
145.10121	10.5
147.02875	3.1
147.08040	1.5
147.11693	11.9
149.09598	0.7
149.13260	15.6
151.03943	0.8
151.07530	1.8
151.14827	0.9
157.10118	1.9
158.10890	0.8
159.02895	10.1
159.04138	0.9
159.08038	1.4
159.11697	7.7
161.09593	0.6
161.13271	10.3
163.06001	1.1
163.07500	0.7
163.11168	1.0
163.14810	11.9
165.09116	1.7
165.12756	0.7
169.04936	0.6
170.51204	0.5
171.02911	0.7
171.11708	1.5
173.09634	2.6
173.13268	8.7
175.11247	0.8
175.14819	8.9
177.03966	0.7
177.09088	1.3
177.12794	0.6
177.16385	6.7
179.10684	0.6
179.17940	1.5
181.04941	1.5
183.11739	0.7
185.13271	1.7
187.05968	0.7
187.11137	2.0
187.14813	5.7
189.03937	3.4
189.16386	2.7
191.10672	3.0
191.14342	1.1
191.17952	18.2
192.18286	0.6
193.04971	0.6
193.12296	0.8
193.15921	1.6
193.19595	0.6
199.11169	0.6
199.14891	1.0
201.12740	14.6
201.16342	3.7
203.14296	2.8
203.17944	3.3
205.12251	2.0
205.15932	2.2
205.19525	11.2
207.13831	0.6
211.06007	0.9
213.03949	14.8
213.16437	0.7
215.05376	0.5
215.14340	3.4
215.17961	1.6
217.12038	0.6
217.15875	1.3
217.19536	1.8
219.13802	22.5
219.17406	1.5
219.21063	9.5
220.14151	0.6
221.15375	6.1
229.15919	2.4
229.19394	0.9
231.05000	57.3
231.13840	0.8
231.21054	1.2
232.05348	0.7
233.15375	4.9
235.16846	1.8
237.14857	9.4
239.16270	0.9
241.16002	0.6
245.15356	0.8
247.08003	0.7
247.16962	5.6
249.06065	42.4
249.18469	0.7
250.06349	0.7
251.16507	3.6
253.07057	4.4
255.20976	0.6
257.22690	0.5
261.18484	1.8
265.17889	2.5
271.08136	4.3
273.06036	0.6
275.20087	1.1
283.24210	0.7
284.80258	0.5
289.21506	0.9
303.23007	0.8
311.23605	0.6
315.06989	0.6
315.77487	0.5
329.24799	1.5
339.06897	0.6
343.26291	1.3
347.25659	1.0
357.08224	3.5
357.27878	0.7
361.27399	5.1
365.31918	0.5
367.33749	0.7
373.27231	1.7
375.09097	4.5
393.10233	14.9
393.35028	1.4
395.36566	0.7
409.34192	0.6
411.11240	5.7
411.36194	4.7
421.34631	6.2
439.35730	37.2
440.35944	1.9
455.35013	1.5
457.36774	45.7
458.36993	1.8
492.17422	0.5
529.91730	0.5
547.37726	0.8
669.39923	0.9
687.40869	0.6
705.41278	0.6
722.62433	0.5
995.23987	0.7
1015.88531	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	106.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01582	0.3
51.02381	1.7
53.03952	11.1
55.01886	0.5
60.04520	0.8
62.99086	0.2
65.03944	0.6
66.80053	0.2
70.54374	0.6
77.03928	2.8
78.04713	3.8
79.05499	25.8
80.05833	0.6
81.03413	1.2
85.54711	0.2
88.07634	0.3
91.05492	1.4
95.04975	10.8
96.04511	0.3
102.69681	0.3
104.05031	0.7
105.04525	6.6
105.07040	0.5
106.06562	100.0
107.06924	0.9
107.08620	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	106.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	0.5
51.02372	1.8
53.03951	13.2
54.04277	0.5
55.01853	0.5
60.04523	2.9
64.92808	0.8
65.03940	3.0
70.06593	1.0
71.49346	0.5
71.49752	0.5
77.03929	3.0
78.04707	3.7
79.05497	30.4
80.05815	1.3
81.03412	0.9
88.07623	0.5
91.05486	4.5
91.48218	0.5
95.04977	12.9
96.04520	0.8
96.05214	0.5
97.89255	0.3
104.05027	0.9
104.05771	0.8
105.04527	7.6
105.07050	0.7
106.06562	100.0
107.04961	4.7
107.06881	0.6
107.08578	0.8
109.06522	0.5
118.06624	0.4
119.06055	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1061.6367
Annotation	Unknow
Peak:m/z	Relative Intensity
82.40701	3.2
91.78420	2.4
143.59213	2.3
145.67725	2.3
272.47906	2.3
338.24438	2.4
419.22409	4.1
431.18570	5.3
433.24094	6.1
445.20093	3.5
446.21042	4.5
459.22095	2.7
460.22842	10.7
461.23233	8.8
473.23514	3.1
547.27185	32.4
607.29205	100.0
608.29443	3.4
954.44849	3.1
1056.20654	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	106.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	1.2
53.03716	0.8
53.03951	12.5
53.05743	0.5
54.04279	0.5
60.04526	2.8
64.82377	0.5
64.92839	0.7
65.03948	3.1
65.56051	0.5
70.06569	1.2
70.18300	2.0
71.45551	0.5
77.03931	3.0
78.04721	4.0
79.05499	28.9
79.86885	0.5
80.05862	2.3
81.03416	1.1
88.07645	1.3
91.05486	5.4
91.48207	0.6
95.04977	11.9
96.04495	0.8
96.05305	0.6
98.21435	0.7
104.05029	0.5
104.05805	1.2
105.04524	6.9
105.07050	1.4
106.06567	100.0
107.04967	1.8
107.08607	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	106.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01576	0.7
51.02385	1.6
53.03949	12.0
55.01854	0.6
60.04519	1.3
60.63284	0.3
65.03923	1.2
69.17874	3.6
70.06606	0.4
70.16708	0.3
71.59760	0.3
77.03925	2.7
78.04712	3.2
78.58547	0.3
79.05494	26.5
81.03416	1.2
91.05485	2.9
95.04968	11.7
96.04491	0.4
96.05300	0.5
104.05022	0.6
104.05762	0.5
105.04518	6.5
105.06998	0.7
106.06554	100.0
107.06879	0.8
107.08588	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	106.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	0.2
51.02386	1.3
53.03951	10.1
55.01875	0.6
60.04523	0.7
62.08670	0.2
64.92825	0.3
65.03955	0.6
70.06584	0.2
70.94647	0.3
77.03939	3.2
78.04721	3.5
78.99731	0.2
79.05500	25.2
80.05833	0.6
80.28668	0.2
81.03422	0.9
88.07614	0.2
88.65337	0.2
91.05457	1.7
95.04977	9.7
96.04493	0.5
104.04990	0.6
104.05770	0.3
105.04525	4.9
105.07027	0.4
106.06563	100.0
107.06895	0.7
107.08594	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	106.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01592	0.5
51.02386	1.5
52.63917	0.3
53.03950	11.7
55.01867	0.5
57.78846	0.3
60.04523	0.8
61.50936	0.2
64.92809	0.4
65.03948	0.8
69.14960	0.9
69.15364	1.6
70.06581	0.5
71.26910	0.3
77.03931	3.7
78.04713	3.3
78.76465	0.3
79.05497	26.6
80.05843	0.8
81.03429	1.3
88.07626	0.5
91.05492	1.4
95.04970	10.1
95.05575	0.5
96.04514	0.3
98.20741	0.6
104.04995	0.9
104.05730	0.3
105.04522	5.3
105.07041	0.5
106.06559	100.0
107.04945	0.6
107.06911	0.7
107.08589	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	106.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.2
53.03948	13.2
55.01852	0.8
60.04532	5.3
63.00916	0.5
64.92802	1.4
64.95552	0.7
65.03934	2.3
69.63330	2.8
70.06580	1.8
77.03934	2.7
78.04713	4.0
79.05495	27.1
80.05827	1.0
80.78336	0.4
81.03417	1.0
88.03944	0.5
88.07629	1.1
91.05482	3.6
95.04974	10.2
96.04501	1.3
96.05286	0.6
104.04974	1.3
104.05789	0.5
105.04520	7.1
105.07021	0.7
106.06560	100.0
107.04941	1.2
107.06901	0.6
107.08616	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	106.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.3
53.03717	0.8
53.03951	12.7
53.04201	0.6
53.28860	0.4
55.01873	0.6
67.54845	0.5
70.27440	1.0
70.27830	0.9
76.57834	0.5
77.03928	3.6
78.04718	5.3
79.05500	25.0
81.03422	0.8
95.04973	11.0
104.05014	0.6
105.04515	5.0
106.06561	100.0
107.06905	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	106.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	0.4
51.02377	1.3
52.10835	0.3
53.03948	10.9
55.01859	0.6
60.04529	1.8
64.92815	0.6
65.03934	1.1
70.06586	0.6
77.03925	2.8
78.03484	0.3
78.04709	3.7
79.05494	27.4
80.05827	0.6
81.03430	1.4
88.07636	0.3
91.05468	1.6
95.04969	11.0
96.04491	0.3
98.20754	0.6
104.05001	0.7
104.05756	0.3
105.04518	6.8
105.05223	0.4
105.07065	0.6
106.06554	100.0
107.04964	0.4
107.06905	0.8
107.08586	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02373	2.0
53.03717	1.3
53.03952	18.3
55.01868	0.9
61.08491	1.0
77.03937	5.1
79.05499	55.8
81.03416	2.1
87.00834	3.2
89.92828	0.9
95.04976	15.0
103.05472	32.2
103.06157	1.5
105.03435	1.2
105.04533	9.4
105.07036	100.0
105.11071	2.0
106.06567	10.1
106.07304	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	106.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01592	0.5
51.02386	1.5
52.63917	0.3
53.03950	11.7
55.01867	0.5
57.78846	0.3
60.04523	0.8
61.50936	0.2
64.92809	0.4
65.03948	0.8
69.14960	0.9
69.15364	1.6
70.06581	0.5
71.26910	0.3
77.03931	3.7
78.04713	3.3
78.76465	0.3
79.05497	26.6
80.05843	0.8
81.03429	1.3
88.07626	0.5
91.05492	1.4
95.04970	10.1
95.05575	0.5
96.04514	0.3
98.20741	0.6
104.04995	0.9
104.05730	0.3
105.04522	5.3
105.07041	0.5
106.06559	100.0
107.04945	0.6
107.06911	0.7
107.08589	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.70778	0.6
51.02382	2.5
53.03950	15.7
58.99580	2.1
61.86602	0.5
65.03934	1.0
69.36777	4.1
77.03931	4.1
79.05495	49.7
81.03421	1.2
82.50865	0.6
87.00829	1.6
95.04975	13.6
98.21478	0.8
102.04707	0.7
103.05473	32.1
105.03384	0.8
105.04534	8.4
105.07034	100.0
105.11067	1.7
107.89204	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02379	2.5
53.03952	14.9
55.01878	0.8
58.96485	0.4
60.65158	0.4
65.03951	0.8
69.35696	3.1
77.03933	5.0
78.04729	0.3
79.05497	50.4
80.05820	0.5
80.32356	0.4
81.03415	1.3
85.25294	0.3
87.00842	1.4
95.04975	10.7
103.05473	32.9
105.04539	6.8
105.07036	100.0
105.11072	0.6
106.06628	0.5
106.07373	1.3
106.90780	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1040.631
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02906	0.8
73.06549	1.3
77.03898	0.7
77.81767	0.1
79.05492	7.1
81.03436	0.4
87.04469	8.0
89.06030	36.0
90.06366	0.2
91.05476	3.6
91.06021	0.3
93.07034	0.2
95.04975	2.2
103.04929	0.1
103.05469	6.4
105.04637	1.1
105.07031	100.0
106.07366	0.9
107.04967	0.3
107.07063	0.6
113.06039	0.4
115.05436	0.4
115.07586	0.2
116.06221	0.4
117.07027	0.5
117.09146	1.6
119.08566	0.7
121.06504	2.6
128.06206	0.3
129.06970	1.2
130.08597	0.7
131.07069	2.6
131.08568	7.1
133.08606	25.3
133.10207	0.7
134.08899	0.2
135.08023	0.1
135.10170	0.2
141.06984	0.2
143.08588	0.3
145.06525	0.3
147.08034	2.5
147.11617	0.1
149.09573	0.9
151.09616	0.2
155.08604	0.2
157.08600	0.2
159.10109	0.1
161.11760	0.4
165.07050	0.5
165.09129	0.4
166.07787	0.4
173.09631	0.6
175.09695	1.6
177.11226	8.7
178.07713	0.2
179.08516	0.2
179.12808	0.2
181.10167	0.4
191.10573	0.3
193.10233	0.2
193.12285	0.2
203.08609	0.2
207.11723	0.3
209.09422	0.2
209.13342	0.3
219.12227	0.5
221.13838	1.7
223.11188	0.9
223.15295	0.2
225.12738	5.6
227.12733	0.3
235.14946	0.2
237.12648	0.2
239.14893	0.2
249.12807	0.8
251.14328	12.7
252.14566	0.3
253.15941	3.2
265.16409	0.4
267.13794	0.5
267.17734	0.3
269.15384	1.1
271.15436	0.3
283.17514	0.4
295.16946	0.8
309.19095	0.3
311.16434	0.6
313.18042	0.9
315.17896	0.3
327.17377	2.4
329.18997	11.6
330.19312	0.3
339.19571	0.1
353.18799	0.6
355.20230	0.4
357.20474	0.2
371.19937	0.7
373.21634	3.5
375.21790	0.2
417.23975	0.2
419.23895	0.1
431.23819	0.2
463.26569	0.2
477.27905	4.3
478.28125	0.2
500.43533	0.1
525.73712	0.2
694.87720	0.2
815.47876	0.2
919.52893	0.2
1023.58759	0.4
1040.62903	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1040.6307
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02907	0.8
73.06567	1.2
77.03912	0.8
79.05492	7.0
81.03421	0.3
87.03930	0.3
87.04469	7.8
89.06030	35.1
90.06367	0.2
91.05483	3.5
91.07616	0.2
93.07053	0.5
95.04969	1.6
103.04927	0.1
103.05470	6.6
105.07030	100.0
106.07358	1.2
107.05000	0.3
107.07075	0.5
113.06004	0.5
115.05437	0.4
115.07581	0.4
116.06234	0.4
117.07013	0.6
117.09135	1.7
119.08568	0.8
121.06510	2.2
127.00116	0.1
128.06180	0.4
129.07005	1.3
130.08623	0.5
131.07063	2.5
131.08563	6.8
133.08603	26.1
144.05716	0.2
145.06502	0.3
145.10123	0.2
147.08058	2.4
149.09625	0.8
159.10211	0.3
161.11754	0.5
165.06987	0.4
165.09023	0.3
166.07701	0.3
169.10133	0.2
173.09641	0.6
175.09697	1.9
177.11224	8.7
179.08525	0.2
181.10120	0.6
183.54128	0.2
191.10641	0.4
192.09332	0.3
207.08063	0.2
207.11685	0.3
209.09737	0.1
209.11609	0.2
209.13319	0.3
219.12338	0.5
221.09616	0.2
221.13818	1.3
222.10406	0.2
223.09290	0.2
223.11147	0.9
223.15378	0.3
225.12741	6.1
227.12805	0.4
235.14828	0.4
236.11913	0.2
237.12978	0.2
239.14700	0.3
249.12698	0.6
251.14323	13.5
252.14700	0.4
253.13631	0.2
253.15953	3.2
255.16005	0.3
263.14679	0.2
265.16446	0.6
267.13797	0.6
267.17838	0.1
269.15378	1.0
271.15250	0.3
277.15860	0.3
283.17456	0.2
295.16891	0.6
309.19040	0.3
311.16425	0.5
313.17984	1.0
315.18115	0.2
327.17404	2.3
327.20831	0.1
329.18988	11.4
330.19360	0.3
339.19843	0.2
353.18701	0.3
355.20346	0.6
357.20337	0.3
359.01553	0.1
371.19894	0.8
373.21628	3.9
375.21719	0.3
401.22916	0.3
415.22641	0.2
417.24796	0.2
419.24097	0.2
431.23599	0.1
433.25247	0.2
445.25842	0.2
463.26880	0.2
477.21268	0.2
477.27908	4.4
478.28244	0.2
815.47968	0.2
919.53589	0.4
1023.58569	0.4
1040.63159	1.1
1057.81909	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1040.5797
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02914	6.0
77.03889	1.2
79.05492	22.5
81.03419	10.9
81.07060	28.0
83.04960	2.0
83.08603	3.2
84.04465	1.3
85.02907	18.4
85.06568	1.2
87.04421	1.2
91.03955	9.7
91.05482	23.3
93.07047	24.5
95.04968	5.1
95.08603	23.1
97.02892	15.0
97.06512	3.4
97.10155	2.4
97.73566	1.1
98.21449	1.3
99.04458	2.7
100.73834	1.1
101.02372	1.7
103.05493	1.6
105.04519	1.5
105.07032	10.4
107.04950	1.9
107.08595	10.8
109.02908	2.0
109.06508	1.3
109.10152	8.6
115.05474	1.5
117.07025	4.5
119.04937	2.2
119.08535	6.5
121.06430	1.1
121.10155	10.7
123.04436	3.9
123.08040	1.8
123.11700	2.4
127.03907	2.8
129.07014	2.3
131.04907	3.4
131.08530	6.6
133.06477	1.8
133.10100	6.0
135.04408	2.2
135.11676	3.4
137.05989	22.7
141.07120	1.4
145.06503	3.1
145.10138	3.2
147.04433	2.9
147.07982	1.3
147.11690	3.6
149.05975	5.3
149.09610	4.0
155.08458	1.2
157.06578	1.7
157.10124	1.4
159.08015	1.9
159.11696	2.2
160.07594	1.3
161.06000	8.0
161.13275	1.2
162.05493	4.8
162.06723	1.5
163.03944	1.9
163.06248	1.6
163.07576	4.5
164.07071	22.5
169.06567	1.7
172.07529	1.3
173.05946	9.3
173.13306	1.7
175.06258	1.7
175.07565	5.5
176.07076	4.1
177.07857	31.8
178.08502	3.3
180.13791	1.6
183.08134	1.4
187.07555	5.1
189.09140	1.4
190.08691	9.9
191.09364	5.4
193.12234	4.1
197.09634	1.2
199.07530	1.6
201.09183	1.2
202.08646	3.2
210.14966	1.5
211.07390	1.4
217.08627	1.3
225.08980	1.1
229.12059	1.1
257.15369	4.3
274.18011	29.0
285.14911	2.3
300.15796	1.3
302.17511	51.1
302.21002	2.5
311.16516	1.5
320.18582	35.0
329.17508	3.3
335.25778	19.7
346.20151	6.9
358.20059	2.2
358.75027	1.2
376.21146	13.6
393.21283	1.7
394.22247	23.8
420.23926	2.5
433.64172	1.1
440.50714	1.3
454.94873	1.4
654.43640	82.5
655.44043	4.0
680.44354	1.9
696.44305	1.5
698.46204	73.1
699.46002	2.4
716.46771	3.6
804.60309	1.4
816.48950	50.1
817.48822	1.7
824.48810	3.5
834.48224	1.4
842.49890	3.9
860.51532	75.7
861.50757	4.3
878.53271	7.3
978.54156	61.6
979.53809	3.7
1004.54218	3.6
1022.56879	100.0
1023.57208	6.3
1040.57837	13.3
1041.57422	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10163	0.2
52.32032	0.2
55.83234	0.2
56.96555	0.2
58.06600	5.1
59.07383	1.9
60.08166	51.5
63.75953	0.2
70.56541	0.6
74.77978	0.2
84.47898	0.2
86.09659	0.2
87.04403	0.2
104.10745	100.0
105.11050	0.3
107.99644	0.2
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
55.47599	0.2
58.06601	5.8
59.07387	1.7
60.08165	52.8
69.86497	0.4
69.86913	0.6
80.72356	0.2
86.09731	0.3
87.04492	0.4
95.78239	0.2
97.90054	0.2
104.10744	100.0
105.11092	0.4
108.99435	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1034.4396
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03392	0.1
81.07051	0.2
85.02905	0.2
91.05476	0.3
95.08595	0.2
115.65020	0.2
135.57854	0.1
147.04454	0.2
228.58989	0.2
266.21793	0.1
274.27347	0.3
400.15219	0.3
405.99414	0.2
413.16238	0.6
415.18253	0.3
416.14694	0.3
425.15967	0.2
426.16974	0.3
427.18106	0.3
428.13998	0.2
428.18719	0.5
429.15857	0.6
430.16589	0.8
439.13538	0.3
440.19083	0.3
441.20221	1.2
442.16516	0.5
443.17896	1.0
444.18262	1.3
445.18896	1.8
453.15842	0.5
454.16592	0.6
455.13168	0.4
456.13651	0.4
456.18359	0.6
457.15103	1.5
457.19617	0.6
458.19659	0.6
467.12979	0.6
467.17584	0.9
468.14215	0.8
468.19321	0.3
469.14227	2.0
469.20285	0.2
470.14926	1.0
471.16351	2.9
472.17639	1.5
473.18408	0.2
475.19766	0.3
480.13943	1.2
481.14703	2.4
482.15668	2.1
483.16669	3.4
484.17676	1.0
485.18527	3.0
486.18784	0.3
489.18365	0.2
494.15961	0.3
495.10876	0.2
495.16644	9.2
496.17371	4.5
497.18228	9.5
498.18716	1.7
499.16141	0.5
499.20084	0.7
500.16895	0.6
501.17020	0.2
502.18726	0.4
503.19330	0.3
509.17633	0.3
510.19125	0.5
511.19955	0.9
512.20142	0.2
513.17621	1.5
514.18683	0.4
515.19043	0.6
523.16199	0.2
525.18378	0.2
526.18823	0.2
527.19366	0.6
528.16492	0.2
528.20221	0.2
529.21204	1.1
530.21393	0.3
531.19122	0.6
536.19141	0.3
537.17175	0.2
538.20032	0.2
539.18530	0.2
541.17908	0.2
542.18317	0.5
543.22736	0.2
544.15826	0.2
545.24524	0.3
547.21887	0.2
555.18628	10.7
556.18945	1.4
557.20013	0.9
558.18567	0.2
567.18799	0.2
568.19806	0.2
569.20245	0.3
573.22571	2.6
574.22717	0.2
583.22064	0.6
584.22217	0.3
584.55969	0.2
585.23608	0.8
587.21313	0.2
589.59753	0.2
596.21509	0.4
601.23059	0.7
611.21527	0.2
616.21680	0.4
617.22400	3.2
618.22961	0.2
627.20953	0.2
628.21649	0.3
629.22162	0.5
631.20850	0.2
632.24017	0.3
642.23932	0.2
643.24072	5.3
643.34949	0.3
644.24609	2.1
645.21838	2.8
646.22351	0.2
657.25385	1.2
660.24292	10.0
661.24554	0.9
675.26593	100.0
676.26837	7.8
914.32379	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	3.0
53.03952	31.8
55.01872	1.5
55.87597	0.6
60.08173	0.6
66.73251	0.6
71.21136	0.7
74.37119	0.6
77.03928	9.0
81.03411	2.9
87.12958	0.6
94.98898	0.6
95.04977	23.8
102.04691	6.2
103.05475	100.0
104.05788	0.7
104.10754	1.6
105.04525	14.1
109.77849	0.5
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
50.01598	0.6
51.02380	2.9
53.03952	21.6
55.01876	0.9
56.96561	0.4
57.03437	0.9
60.02147	0.7
60.08153	1.4
69.43935	2.6
77.03939	5.6
81.03433	1.8
85.02926	0.7
86.20760	0.4
88.01636	0.4
95.04974	21.4
102.04701	3.9
103.05476	100.0
104.05807	1.1
104.10747	3.4
105.04520	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	103.0759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	20.6
56.16699	3.6
56.96564	4.0
57.03442	100.0
57.07076	29.4
58.06588	3.9
59.05011	7.5
60.02132	6.2
60.08169	31.4
61.04052	30.2
67.05502	10.3
70.42265	11.6
81.03416	3.5
85.02898	10.6
85.06556	27.1
87.04473	5.9
88.01617	6.3
90.90399	3.2
95.04966	13.9
98.21356	4.4
103.03956	15.1
103.05473	82.4
103.06863	3.1
103.07585	6.2
103.08706	5.4
104.10746	49.3
105.04507	10.7
122.47233	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	1024.6204
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04992	1.2
73.02906	2.0
73.06557	2.3
75.30307	0.5
77.03913	1.1
78.25474	0.5
79.05492	9.9
79.35136	0.5
81.03445	1.0
81.07059	0.8
87.04468	16.7
89.06032	65.9
91.04907	0.9
91.05482	18.2
93.07035	2.6
95.04972	3.0
95.08614	0.9
97.06511	0.6
103.05464	9.6
103.77897	0.5
105.04529	1.8
105.07032	100.0
106.07341	1.3
107.04949	3.1
107.07076	0.6
107.08576	0.7
113.06023	1.2
115.05427	1.6
115.07526	0.8
116.06206	1.2
117.07023	2.8
117.09164	3.5
118.77154	0.5
119.04955	1.6
119.08585	6.9
121.06514	13.4
125.00013	0.5
128.06233	2.9
129.07004	5.9
130.08624	1.5
131.07098	3.9
131.08568	11.4
132.05711	1.6
133.08607	45.7
135.08058	1.3
137.05977	1.6
145.06499	1.6
147.08051	50.7
148.08347	0.8
149.09627	10.7
157.10146	0.8
159.10191	0.7
161.11719	1.1
165.06952	1.0
165.09087	0.9
166.07819	0.8
173.09627	1.5
175.09738	4.2
175.11130	1.0
177.11234	15.2
181.10114	2.5
184.07370	1.1
192.09273	0.6
207.11720	0.9
208.08864	1.0
219.12350	1.1
221.09692	0.6
221.13866	2.0
223.11194	2.4
225.12743	31.4
249.12827	4.0
251.14343	4.9
265.16592	0.7
267.13824	1.1
269.15417	1.6
271.15311	0.7
283.17554	0.7
295.16916	0.7
311.16449	1.3
313.17923	1.1
329.19019	1.1
373.21609	9.4
420.24127	0.6
700.48132	1.0
777.32001	0.6
862.52374	2.1
1024.61023	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	1024.621
Annotation	Unknow
Peak:m/z	Relative Intensity
71.49685	0.8
73.02914	2.7
73.06551	2.5
77.03919	0.9
79.05495	7.9
81.03443	1.3
81.07066	1.1
87.04473	14.5
89.06031	62.9
91.05480	17.6
93.07048	3.5
95.04969	2.3
95.08586	1.0
97.13340	0.6
97.34588	0.7
103.05463	10.4
105.04545	1.5
105.07033	100.0
106.07384	0.8
107.04960	3.0
107.07071	1.3
107.08611	0.9
113.06048	0.9
115.05455	1.2
115.07558	0.7
117.06998	3.5
117.09130	2.5
119.04948	2.7
119.08580	7.7
121.06506	14.0
128.06241	3.0
129.06192	0.7
129.06989	4.3
130.08649	0.8
131.07047	4.4
131.08562	10.4
132.05687	1.1
133.06483	1.3
133.08609	39.3
133.10162	1.9
135.08044	1.3
135.10207	0.8
137.05962	1.1
145.05011	0.7
145.06458	2.2
147.08051	48.8
149.09627	11.3
161.11737	1.1
163.07529	0.9
163.11243	0.9
165.07040	0.9
166.07794	0.8
173.09679	1.6
175.09718	3.9
175.11108	0.8
177.11229	13.4
179.08539	0.7
181.10141	2.3
221.09471	0.8
221.13853	1.6
223.11221	2.9
225.12744	25.3
227.12906	1.0
249.12822	5.7
251.14287	3.6
267.13797	0.8
269.15317	1.5
286.74438	0.6
302.64560	0.7
309.19211	0.8
311.16333	0.8
313.17780	1.4
327.17346	1.1
329.18982	1.2
373.21698	9.0
560.29944	0.7
700.47162	1.1
862.52313	1.5
998.67169	0.7
1024.59875	6.4
1037.50659	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1022.5686
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04887	1.3
73.02807	3.5
74.48517	0.5
77.03860	0.8
77.74607	0.4
79.05385	17.5
79.05895	2.1
81.03310	17.5
81.03843	2.2
81.06948	21.9
81.07477	2.3
83.04883	2.6
83.08505	5.5
85.02790	9.8
85.06467	1.2
91.03839	4.0
91.05366	24.9
91.05998	2.2
92.89693	0.5
93.06927	18.7
93.07558	1.5
95.04854	7.4
95.05511	0.5
95.08488	13.2
97.02776	8.3
97.03452	0.6
97.06418	2.4
97.10083	1.2
98.21526	1.4
99.04388	1.0
101.02274	0.8
103.05351	1.6
105.04439	0.9
105.06904	11.1
107.04950	3.3
107.08587	10.7
109.02788	0.8
109.06532	2.2
109.10151	6.4
111.08088	2.6
115.03854	0.8
115.05376	1.1
116.06138	0.6
117.07024	3.8
119.04939	4.3
119.08589	8.2
121.06377	2.6
121.07221	0.8
121.10152	10.9
121.10951	0.5
123.04424	5.9
123.07972	1.1
123.11621	1.4
125.09559	0.8
127.03913	2.2
128.06142	1.1
129.07011	5.0
131.04765	1.7
131.08569	6.4
133.06483	3.5
133.10139	6.6
135.04433	3.9
135.07957	1.0
135.11707	3.2
137.05984	24.4
137.06938	1.1
137.09503	0.6
141.06918	0.6
142.07680	1.0
143.04857	0.6
143.08423	1.4
145.04834	0.8
145.06482	3.8
145.10130	2.9
147.04433	4.9
147.08038	3.1
147.11694	5.5
149.06001	5.7
149.09642	5.6
149.13174	1.1
151.07489	0.5
151.10976	0.5
154.08524	1.2
155.08408	0.9
157.06342	2.1
157.10147	3.9
159.04318	0.6
159.08072	2.9
159.11551	1.4
161.05992	10.3
161.09549	0.8
161.13127	1.2
163.03824	0.7
163.07520	3.7
164.06920	1.8
165.05394	0.9
165.06885	0.7
165.12691	0.6
169.06390	1.1
169.10071	0.9
171.07950	1.8
173.05997	6.0
173.09570	1.2
173.13091	1.3
175.07570	7.1
175.11221	4.2
176.06943	0.7
177.05324	0.8
177.07703	0.9
177.09119	0.9
179.06801	0.7
181.10037	0.5
183.07910	1.7
185.05876	1.7
185.09503	1.4
187.07561	7.8
187.11070	0.7
189.05399	1.0
189.08949	2.1
191.06912	0.9
193.12279	8.6
195.07906	1.0
195.13638	0.9
197.09489	1.3
199.07594	2.5
199.11089	0.6
199.58551	0.5
201.08981	2.0
203.06929	1.1
203.10608	0.8
209.09515	0.9
211.07463	1.1
211.11305	0.7
211.13235	4.4
213.09152	2.3
217.08461	0.8
223.11116	0.8
225.09114	0.9
225.12642	0.8
229.37149	0.7
237.12592	0.5
239.10596	0.7
239.14378	0.7
241.12094	0.8
243.13643	0.7
257.15366	5.9
261.22168	0.6
267.13553	0.8
283.16461	0.6
285.14896	4.8
301.17911	0.7
302.17514	7.3
303.15900	3.8
311.16306	3.0
314.17249	0.5
325.17923	0.6
328.18829	1.4
329.17496	8.9
333.17004	1.2
335.25790	7.7
341.17465	1.2
346.20154	7.8
347.18448	1.7
358.20111	0.8
370.19952	0.7
376.21097	1.8
384.21768	0.7
385.20248	0.8
402.22855	1.5
420.23837	4.5
421.22626	0.5
424.21201	0.6
438.24741	0.8
541.73309	0.5
545.35846	0.6
569.32068	0.6
582.29150	0.8
654.43610	1.3
680.45178	3.1
681.43530	1.2
698.46295	100.0
699.46448	6.7
708.44263	0.5
740.47119	3.0
744.34393	0.7
776.47321	2.8
788.46735	0.7
806.47852	2.4
816.49207	1.1
824.49664	11.1
825.49475	0.7
842.50458	10.1
860.51556	97.5
861.52136	6.1
902.52832	1.3
968.53809	1.0
978.53467	1.1
986.55481	2.2
1004.55646	4.5
1022.56903	54.4
1023.57532	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	1018.5951
Annotation	Unknow
Peak:m/z	Relative Intensity
71.03548	0.8
71.08636	15.4
73.02923	6.8
79.05499	3.7
81.03439	3.9
81.07069	10.4
82.63380	0.8
83.08620	7.4
84.04488	0.8
85.02436	1.3
85.02914	15.8
85.10194	8.5
89.06042	1.8
91.03951	7.6
91.05476	7.2
93.07049	3.0
95.08620	14.4
96.08100	1.1
97.02896	15.5
97.06543	1.3
97.10175	4.1
98.21492	1.0
99.04456	1.5
101.02383	2.9
107.08597	1.3
109.02893	1.7
109.10159	7.8
111.11761	1.0
111.43649	0.7
115.03920	1.3
115.05443	1.0
117.07005	0.9
117.09143	0.9
119.04919	1.3
121.10139	1.4
123.04448	1.2
123.11707	3.6
127.03922	3.5
129.07045	1.0
131.04938	1.8
133.06519	1.0
137.05991	11.9
145.04993	1.4
145.06525	2.1
146.06020	1.1
147.04387	1.4
148.05249	1.3
149.06023	3.7
157.06451	0.9
160.05281	0.9
160.07568	1.4
161.05998	2.4
162.05576	3.7
162.06744	1.1
163.04013	1.2
163.06236	1.4
163.07523	1.1
164.07074	22.6
171.08035	1.2
172.07533	1.0
173.05975	6.7
175.06258	2.0
175.07588	2.3
176.07077	4.4
177.07864	30.5
178.08632	2.2
180.13881	2.5
187.07584	2.1
188.07079	1.7
190.08644	11.1
191.09410	3.3
193.12144	0.7
202.08530	1.8
202.58144	0.7
203.09341	1.2
204.10242	2.0
210.14915	1.3
237.78851	0.8
239.23718	2.2
254.17532	0.9
257.15323	1.5
257.24768	3.3
274.18036	29.8
302.17514	48.9
313.27380	44.6
314.27679	1.4
320.18585	28.7
346.20166	2.6
376.21198	11.0
393.21643	1.6
394.22269	29.3
420.23642	1.3
510.41330	2.1
531.26801	0.9
632.45239	88.4
633.45593	4.3
674.46399	1.3
676.47858	40.1
677.47479	1.2
794.50519	46.9
795.50488	2.5
820.51611	1.4
838.53107	48.5
839.52740	2.6
956.55743	62.8
957.55206	3.0
982.57263	3.6
1000.58435	100.0
1001.58405	7.0
1018.56122	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	1012.5999
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04971	1.1
71.48775	0.9
73.02906	3.6
73.06541	2.1
77.03931	1.1
79.05497	6.6
81.03426	1.3
81.07072	1.7
87.03935	1.2
87.04472	24.2
89.06033	85.2
91.05479	9.3
93.07054	1.4
95.04983	3.0
95.08618	1.0
103.05474	20.2
105.07035	100.0
106.07332	1.5
107.07083	1.7
113.06010	2.7
115.07578	0.8
117.06998	1.5
117.09132	2.0
121.06493	1.0
128.06223	1.2
129.07008	4.7
130.08647	2.0
131.07074	7.3
131.08568	7.3
133.08612	60.9
135.10149	0.8
145.06511	1.4
147.08064	0.8
154.33191	0.7
159.08005	0.8
159.10164	1.5
161.11713	1.0
171.08080	3.1
175.09659	6.1
177.11226	23.7
178.07884	1.1
179.08630	0.9
181.10126	1.3
184.07318	1.0
207.08133	1.1
207.11781	1.0
209.13434	0.7
219.12265	1.7
220.08937	1.1
221.09656	1.4
221.13806	4.7
223.11203	4.6
223.15613	0.9
225.12735	1.0
234.10535	0.8
241.91299	0.8
249.12767	21.5
251.14328	4.6
257.11142	0.6
265.16507	1.1
275.14328	1.1
283.17676	1.0
325.15900	1.3
327.17450	17.2
327.21075	1.0
351.17676	1.4
353.18942	2.0
371.20056	1.7
399.21786	1.4
405.22226	8.8
415.22726	1.7
431.23859	4.5
443.24435	2.0
475.26382	5.9
487.26529	1.0
503.28253	3.0
531.29645	1.4
547.30768	3.3
563.31445	1.1
575.32007	1.0
591.32892	3.5
607.34052	1.0
635.35516	3.5
679.38422	1.5
695.39349	0.8
697.40356	0.8
723.41327	1.4
767.42993	1.6
842.89020	0.8
873.49298	3.9
953.65070	0.8
977.55878	2.0
1012.58252	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	101.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04462	1.8
56.96572	4.0
58.96168	3.4
60.95850	2.4
71.24577	2.8
82.99845	9.9
83.01523	12.8
84.01194	2.4
101.00887	65.4
101.02557	18.3
102.02230	3.1
118.98221	2.9
119.01929	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01618	0.1
51.02374	0.1
53.03933	0.2
53.22062	0.1
55.01873	0.9
55.05507	1.0
56.05038	1.1
56.96567	8.5
57.03440	1.2
57.05802	0.2
58.96159	0.3
58.99869	1.8
59.04994	0.9
59.06115	0.2
59.52196	0.6
59.93100	0.4
59.96177	0.1
59.99941	0.5
60.00607	0.2
60.01388	0.5
60.95840	0.2
60.99631	0.1
61.02934	0.8
64.99767	0.2
65.52189	0.4
66.00509	0.3
67.05508	0.2
68.00261	0.7
68.02647	1.8
68.99791	0.2
69.01041	0.2
69.01900	0.3
69.03423	0.2
69.52391	0.1
69.64416	0.5
69.64828	0.3
70.98109	0.3
70.99859	2.7
71.01345	0.3
71.04973	0.1
71.95274	0.9
72.08102	0.1
72.52934	0.1
73.02922	0.9
74.00259	0.5
74.02428	0.3
74.52699	0.1
75.01042	0.9
75.01904	0.3
77.00886	2.2
78.00963	0.1
78.52949	0.4
79.01843	1.0
79.51960	0.1
80.00275	0.2
80.52711	0.3
81.01904	0.3
81.03415	0.1
82.01497	1.2
82.99840	3.9
83.00326	0.3
83.00780	1.2
83.01498	2.5
83.04999	0.6
84.01180	0.5
84.04495	0.6
84.08138	0.3
84.52944	0.4
84.96040	0.3
85.02898	1.8
86.52673	0.1
87.01917	0.4
89.00255	0.3
89.00867	1.5
89.03458	0.2
95.01320	0.4
95.01958	0.4
96.02091	0.3
97.00143	0.2
97.99171	0.1
98.01299	0.4
98.52676	0.3
98.97579	2.5
99.02442	0.3
99.97968	0.1
100.02485	3.1
101.00883	37.0
101.02543	7.6
101.06004	0.3
101.07941	0.2
101.10781	1.3
102.00958	0.4
102.02238	1.4
103.00643	0.2
103.02425	0.4
103.03964	0.1
105.00359	0.1
107.01907	0.4
110.97572	1.0
111.00482	0.3
111.73917	0.1
113.00866	0.5
114.04050	0.1
115.01187	0.8
115.02445	0.5
116.98639	0.9
117.95983	0.2
118.03551	1.1
119.01922	100.0
119.03655	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	1004.5075
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01360	3.2
71.04995	7.5
73.02927	4.6
75.04461	0.9
79.05483	4.0
81.03421	48.1
81.07069	6.4
81.76462	0.7
83.01354	1.5
83.04984	7.9
85.02908	99.0
85.06549	8.5
87.00829	42.4
87.04460	1.2
91.03968	2.0
91.05482	4.1
93.07044	5.0
95.01317	0.7
95.04977	6.4
95.08614	8.7
97.02894	45.9
97.06525	2.5
99.04462	16.5
99.08103	3.7
101.02391	3.2
103.03928	5.9
105.01868	36.5
105.07022	4.9
107.04959	1.4
107.08595	10.3
109.02881	63.7
109.06519	1.1
109.10160	7.7
110.03689	1.2
111.00801	0.7
111.04452	8.4
111.08086	3.4
113.02388	1.5
115.03916	1.6
117.01859	3.4
117.07056	0.8
119.04949	1.0
119.08591	5.8
121.02893	1.2
121.10137	8.9
123.04444	7.9
123.11691	3.8
125.02353	6.4
125.09620	1.1
127.03922	100.0
129.01811	4.9
129.05486	2.0
130.39662	0.7
131.08575	1.5
133.10141	5.4
135.04419	1.5
135.11678	6.0
137.05899	1.9
137.09628	1.5
137.13264	1.5
139.03912	5.3
139.11211	1.2
141.05478	1.6
145.04967	22.3
145.10121	3.7
147.02965	3.5
147.04402	2.5
147.06544	2.2
147.11719	4.4
149.13275	3.9
151.03923	7.5
151.11151	1.2
153.01859	1.0
159.02895	12.1
159.11748	3.3
161.13283	7.1
163.03905	1.5
163.14818	2.6
165.05469	3.7
167.10632	1.1
167.14334	0.9
169.04964	13.2
171.02908	3.0
171.83040	0.7
173.13246	2.4
175.03932	2.2
175.14856	2.9
177.03964	0.8
177.05545	0.9
177.16463	1.3
181.05029	1.9
185.13194	0.9
187.06036	8.9
187.14758	1.9
189.03946	14.0
189.05464	1.2
189.16414	2.5
191.17935	1.1
193.04980	8.7
195.02940	1.1
197.15396	1.2
199.14827	0.8
201.16356	1.2
203.17944	1.9
205.05003	0.9
207.06523	1.0
211.06071	2.7
213.03937	18.4
215.05486	1.5
215.18010	1.7
217.05023	1.0
217.19479	1.9
219.17429	1.2
229.07129	1.5
231.04997	33.3
233.06578	3.1
235.06029	4.0
235.16919	1.6
249.06079	10.7
253.07048	2.3
255.05055	4.5
257.22726	1.0
259.04587	0.8
269.06516	1.0
271.08109	0.8
273.06058	55.6
273.21915	0.8
291.07138	1.1
297.06100	2.7
301.21716	0.8
303.23132	1.3
315.07108	6.5
317.24802	1.2
321.06033	2.3
333.08133	2.1
339.07129	9.6
357.08313	6.6
399.32617	1.3
409.34613	1.6
413.34100	3.4
425.07385	1.9
425.33923	0.9
427.35678	1.9
431.35233	4.0
437.34113	6.8
443.08389	5.3
443.35226	2.5
455.35202	13.1
461.09341	9.9
465.78574	0.8
473.36322	14.1
479.10367	4.2
491.37134	3.1
514.13947	2.7
619.99567	0.7
685.38422	1.1
915.78131	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1002.4913
Annotation	Unknow
Peak:m/z	Relative Intensity
69.36118	2.7
69.36543	2.5
71.01358	3.4
71.04989	5.5
73.02921	5.8
79.05492	3.3
81.03418	48.8
81.07053	5.7
83.01362	1.7
83.04983	7.9
83.08617	1.2
85.02905	91.1
87.00828	39.0
87.04458	0.8
91.03941	1.8
91.05489	4.1
93.07046	5.3
95.04971	5.8
95.08603	9.1
97.02892	45.6
97.06516	1.2
99.04456	15.0
101.02361	3.3
102.11687	0.6
103.03920	5.8
105.01864	33.9
105.07039	5.7
107.04931	1.6
107.08591	9.5
109.02880	63.1
109.06557	0.6
109.10149	5.5
111.00842	1.6
111.04430	9.2
113.02371	2.0
114.54102	0.9
115.03941	2.5
117.01856	3.6
117.07010	0.8
119.04934	1.2
119.08579	9.2
121.02885	2.1
121.10146	11.7
123.04433	8.9
123.11725	3.1
123.41586	0.7
125.02346	4.9
127.03918	100.0
128.04253	1.0
129.01836	4.9
129.05489	2.8
133.10127	6.9
135.04404	1.7
135.11693	7.4
137.06026	2.6
137.13269	0.8
139.03922	5.2
141.05455	1.5
143.03421	0.9
145.04953	20.4
145.10138	2.4
147.02896	2.9
147.04485	1.4
147.06528	1.4
147.11690	5.4
149.13286	1.9
151.03900	10.1
153.01868	1.2
153.09091	1.7
155.03334	0.7
157.10106	1.6
159.02898	12.0
159.06540	0.9
159.11707	3.8
161.05988	0.6
161.13255	9.1
163.03920	1.0
163.11214	1.0
163.14835	1.4
164.04692	1.5
165.05492	4.4
167.10663	3.5
169.04959	12.2
171.02901	4.9
173.13284	2.6
175.03947	2.8
175.14819	13.8
177.03969	1.4
177.05370	0.7
177.16386	9.4
179.10715	1.5
181.05005	1.7
181.12271	1.1
187.06047	9.8
187.14900	1.7
189.03961	15.3
189.05455	2.0
189.16379	5.2
191.17995	1.2
193.04955	9.3
193.12253	1.0
195.02885	1.6
195.13831	1.2
199.14699	1.0
201.16342	1.6
203.17947	9.5
205.15948	1.8
207.13921	1.0
211.06059	2.9
213.03932	19.1
213.16417	1.8
215.05585	1.8
215.17953	1.0
217.05025	1.6
217.15952	1.0
217.19548	1.0
221.15356	7.8
223.16917	0.7
227.18063	0.8
229.03506	1.0
229.07065	1.6
231.04994	33.6
231.17453	5.3
233.06631	3.4
235.06018	4.4
235.16907	3.0
243.21164	1.3
249.06064	10.0
249.18538	6.0
253.07060	3.3
255.05013	4.4
267.04880	1.1
269.06558	1.4
271.07999	0.7
273.06042	61.0
291.07172	1.3
297.06067	3.4
303.23126	1.2
315.07141	8.1
321.06049	2.1
323.32382	0.7
333.08261	2.0
339.07101	9.8
357.08221	8.1
397.31168	1.8
407.33130	2.4
425.07156	1.6
425.34155	47.6
426.34338	2.3
435.32660	6.2
443.08221	7.6
443.35294	0.9
453.33698	9.9
461.09363	11.1
471.34711	14.3
479.10159	1.9
489.35672	5.8
514.14227	3.8
608.36346	0.7
719.40179	0.8
954.96906	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1002.4908
Annotation	Unknow
Peak:m/z	Relative Intensity
69.36298	4.0
69.36708	1.3
71.01349	3.9
71.05000	4.7
72.27515	0.6
73.02919	6.8
74.04308	0.7
79.05499	3.2
81.03421	47.3
81.07065	7.0
83.01369	2.1
83.04986	8.3
83.08636	1.6
85.02906	92.6
87.00829	39.6
91.03966	1.7
91.05457	3.6
93.07043	5.4
95.01340	1.0
95.04982	5.4
95.08607	8.7
97.02895	48.6
97.06538	1.4
97.10171	0.6
98.21516	1.4
99.00822	0.8
99.04459	16.0
99.05106	0.8
101.02377	2.7
103.03956	6.7
105.01870	38.6
105.07033	6.3
107.04949	2.2
107.07896	0.8
107.08604	10.5
108.04450	0.9
109.02882	68.7
109.06518	1.0
109.10164	5.2
111.00809	1.6
111.04440	9.5
111.08096	0.7
113.02380	1.0
113.06068	0.8
115.03922	2.5
117.01847	2.5
117.06984	1.0
119.04906	1.0
119.08585	9.1
121.02866	1.5
121.06454	0.8
121.10148	12.1
123.04441	9.2
123.11710	2.8
125.02334	6.3
127.03924	100.0
128.04243	1.2
129.01839	5.8
129.05490	2.6
131.08546	1.1
133.06528	0.9
133.10124	7.1
135.04457	1.6
135.11703	6.8
137.02354	1.0
137.06006	1.8
137.13239	0.8
139.03897	4.5
141.05450	1.3
143.03418	1.0
143.08539	0.8
145.04967	21.3
145.10146	1.8
147.02846	3.6
147.04443	2.3
147.06540	2.4
147.11697	6.1
149.02443	1.0
149.09669	1.4
149.13269	1.9
151.03902	7.7
153.01817	0.9
153.05518	0.6
153.09071	1.5
157.10130	1.1
159.02896	11.6
159.11703	2.7
161.05981	0.8
161.13264	10.4
163.03905	1.5
163.14839	1.4
165.05469	3.5
167.10698	3.4
169.04970	16.2
171.02928	3.3
171.11700	0.9
173.13278	3.1
175.03911	2.0
175.14827	15.4
177.03975	1.1
177.05418	0.9
177.16374	9.4
179.10704	1.0
181.04977	2.0
181.12215	0.8
183.02875	0.8
185.13283	0.8
187.06012	9.5
187.14877	2.1
189.03963	19.2
189.05455	1.8
189.16414	4.7
191.17937	1.5
193.04968	8.3
195.02905	2.1
195.13794	1.0
201.16341	1.7
203.14391	0.9
203.17992	11.1
205.04929	0.7
205.15852	1.4
207.06575	1.4
211.06023	2.7
213.03943	19.3
213.16386	1.3
215.05556	2.3
215.18008	1.1
217.04982	2.0
217.19597	1.0
221.15398	7.2
229.03435	1.0
229.07048	1.3
231.05011	33.0
231.17435	7.5
233.06525	3.1
235.06032	5.1
235.16925	4.1
243.21021	1.3
247.04559	1.4
249.06091	11.3
249.18517	5.8
253.07098	3.0
255.05080	4.8
259.04431	1.0
269.06482	2.0
273.06067	65.5
285.05933	1.0
291.07108	1.9
297.06161	4.0
299.03949	0.9
303.23181	1.6
315.07153	8.2
317.24701	0.7
321.06027	2.6
333.08145	2.8
339.07117	12.5
357.08142	7.9
397.30966	2.8
407.33096	3.4
425.07193	2.2
425.34161	51.2
426.34418	2.5
427.35724	1.4
435.32703	5.7
443.08298	6.9
453.33707	11.4
461.09314	10.1
471.34763	17.6
472.35104	1.0
479.10535	3.2
489.35709	7.2
514.14343	4.2
719.39978	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1000.5841
Annotation	Unknow
Peak:m/z	Relative Intensity
70.95229	1.1
71.01288	0.6
71.04929	0.9
71.08540	9.5
71.08956	1.2
73.02821	3.2
79.05395	8.7
81.03317	17.3
81.03849	1.6
81.06956	14.1
81.07467	1.3
83.04967	2.4
83.08517	8.4
83.56240	0.5
85.02804	9.9
85.06477	0.9
85.10078	6.8
87.04393	0.5
89.05949	0.8
91.03856	4.7
91.05375	16.0
93.06940	8.6
93.07568	0.8
93.51667	0.5
95.04967	6.6
95.08499	12.8
97.02784	11.3
97.03448	0.9
97.06416	2.0
97.10058	3.5
99.04391	1.2
103.05422	1.0
103.07484	0.7
105.07034	7.9
107.04954	3.1
107.08591	5.6
109.06406	1.9
109.07098	0.5
109.10159	6.9
111.04349	0.7
111.08097	2.8
111.11634	1.0
115.03841	0.7
115.05355	1.2
117.06902	1.8
119.04953	4.5
119.08583	5.2
121.06378	1.7
121.10150	5.5
123.04420	3.7
123.08006	0.7
123.11686	2.5
125.09533	0.7
127.03790	2.2
128.06148	1.1
129.07018	4.3
131.04846	1.2
131.08572	5.9
133.06509	4.3
133.10146	3.9
135.04420	3.3
135.07993	1.0
137.05984	31.8
137.06947	1.3
138.06255	0.5
141.06894	0.8
142.07697	1.2
143.08568	0.7
145.04861	0.9
145.06354	4.0
145.10023	1.0
147.04428	6.0
147.08032	2.8
147.11703	3.8
149.05954	4.6
149.09633	6.6
151.07329	0.7
154.08540	0.8
155.08450	0.5
157.06381	1.8
157.10153	4.3
159.08066	2.9
161.05994	13.0
163.06366	0.6
163.07535	5.3
164.07042	1.2
165.05373	1.3
165.08954	0.6
165.12740	1.0
171.07921	2.0
172.07472	0.6
173.05977	5.7
173.09537	1.1
175.07550	10.3
175.11156	5.4
177.09122	0.7
183.07985	1.1
184.07121	0.6
185.05884	1.3
185.09636	0.7
187.07552	8.5
189.05319	1.1
189.09065	2.9
191.06923	1.2
193.12256	9.3
195.13710	0.7
197.09570	1.2
199.07423	1.8
201.09010	2.2
201.10733	0.6
203.06964	0.9
203.10722	0.7
211.11623	0.6
211.13307	5.3
213.09001	1.6
215.10574	1.2
217.08467	0.8
225.08945	0.7
225.12650	0.7
229.08452	0.6
239.14223	0.6
239.23601	0.7
257.15347	7.9
257.24612	1.2
267.13525	1.4
274.17722	0.6
285.14841	7.2
301.17871	0.9
302.17542	8.0
303.15918	7.6
311.16498	2.7
313.27396	16.0
314.27335	0.5
328.19025	1.0
329.17432	10.5
341.17453	2.5
346.20163	9.6
347.18539	2.8
359.18997	0.7
376.20889	1.4
385.19769	1.3
394.22449	0.7
402.22687	1.2
403.21027	1.7
420.23788	4.1
438.24734	1.3
475.32736	0.8
632.45142	1.6
646.01813	0.6
658.46948	1.8
659.45239	1.4
676.47852	86.0
677.47949	3.4
718.48621	2.6
742.34192	0.6
754.48840	2.2
766.48718	0.7
776.50659	1.0
784.49835	2.7
794.50464	0.7
802.51062	11.7
820.52448	8.9
838.53125	100.0
839.53687	5.0
876.07678	0.6
880.54297	1.1
916.54358	0.9
938.55334	1.5
946.55573	0.7
956.55780	1.0
964.56512	2.6
982.57391	5.3
1000.58435	71.5
1001.58282	4.2
END